data_6oq9_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6oq9 _Structure_validation_residue.Date_analyzed 2019-07-19 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 ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 t70 -62.66 -44.4 96.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.047 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.45 68.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.967 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.88 -42.51 33.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.061 0.457 . . . . 0.0 109.901 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pp -65.95 -27.6 68.29 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.035 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -70.28 -47.26 62.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.038 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.33 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.72 -38.94 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.23 -39.9 92.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.41 -31.04 53.79 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.6 -42.99 93.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.391 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -67.34 -35.19 78.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.375 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -56.13 -41.53 75.47 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.5 -30.87 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.8 tp10 -81.22 -30.76 34.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.41 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.82 -25.79 37.55 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.191 0.52 . . . . 0.0 109.604 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -70.33 -45.98 65.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.971 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.2 -33.61 73.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.745 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 31.7 mt-10 -57.67 -45.47 85.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.103 174.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -75.4 -36.16 60.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.02 -44.67 97.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -69.16 -18.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -79.73 -44.38 20.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.807 179.453 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.616 ' O ' HD12 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.512 -0.485 0 CA-C-O 121.058 0.456 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 13.7 t70 -56.96 -44.87 83.01 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.56 75.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.78 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.08 -37.72 53.91 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.188 0.518 . . . . 0.0 109.99 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 8' ' ' ALA . 2.1 mp -61.66 -38.9 89.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.727 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.8 mm100 -59.15 -40.06 84.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.672 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -60.04 -46.13 90.54 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.06 -49.94 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -58.89 -42.33 89.28 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.06 -50.67 18.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.895 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.75 -43.2 98.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.783 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -62.23 -33.21 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.752 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -71.31 -33.98 70.17 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.91 -43.14 75.82 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.656 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.32 -28.94 64.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.82 -16.41 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.74 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.2 -44.26 38.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.045 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.11 -37.2 81.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -60.02 -37.25 79.21 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.758 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -72.53 -31.2 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.88 -38.53 76.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.62 -56.92 14.59 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 p -58.52 -42.97 88.95 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.414 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.21 -1.026 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.404 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 120.89 0.376 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.9 -42.55 99.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.282 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.02 -48.99 31.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.96 -26.09 64.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.59 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.58 -59.3 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.092 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -68.22 -27.97 66.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.718 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 tp -66.29 -37.41 85.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.245 0.545 . . . . 0.0 110.204 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -82.82 -43.94 16.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.802 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -66.99 -43.42 83.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.916 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.52 -43.45 89.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -62.65 -46.76 86.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.328 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.8 -36.21 83.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.9 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.67 -38.39 86.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.171 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.03 -48.23 79.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.16 67.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.666 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.72 -48.46 71.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.61 -33.01 74.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.266 0.555 . . . . 0.0 110.185 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 29' ' ' LYS . 9.5 tp10 -56.6 -40.04 74.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.282 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.8 -25.82 63.96 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.349 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.38 -29.64 68.39 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 26' ' ' GLU . 95.5 mttt -65.18 -47.98 75.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -57.94 -34.58 70.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.597 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 9.4 m-20 -61.55 -38.91 89.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.84 70.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.883 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.0 -23.85 59.5 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.406 0.622 . . . . 0.0 109.459 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.5 mt -80.96 -39.81 25.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.023 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 94.8 mt-30 -58.28 -44.2 88.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.355 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -59.35 -46.45 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.15 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.48 -44.48 89.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 67.0 mttm -57.28 -49.45 76.03 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.6 -46.09 89.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.37 -47.54 83.73 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.908 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -72.76 -29.17 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.695 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.46 -30.08 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.75 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -72.08 -53.77 11.83 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -47.04 -46.05 21.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 pt-20 -67.35 -42.76 82.99 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.503 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.12 -42.83 91.5 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.187 0.518 . . . . 0.0 110.012 176.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 44.1 tt0 -61.48 -29.85 70.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.514 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 99.6 mtt180 -80.67 -33.87 35.23 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.965 0.412 . . . . 0.0 110.075 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 85.6 mt -64.8 -33.76 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.188 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.65 -33.98 73.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -74.11 -29.26 61.75 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 31.9 mt-10 . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.479 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.504 -0.792 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.66 -33.93 56.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.08 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.77 -40.78 60.93 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.689 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.68 -23.37 31.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.007 0.432 . . . . 0.0 110.727 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 8' ' ' ALA . 7.5 mp -69.45 -49.55 53.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.551 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.24 -29.17 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.621 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -78.23 -24.67 46.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -66.73 -39.05 87.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.88 -31.35 69.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.25 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.51 -45.46 79.46 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.485 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -55.08 -42.6 73.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.7 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -66.84 -40.51 87.98 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.935 0.398 . . . . 0.0 110.413 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -57.46 -45.43 84.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.037 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.0 mt-10 -76.93 -19.96 56.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.84 -35.82 43.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 109.877 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.36 -41.01 94.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.003 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.94 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 20.4 mm-40 -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.915 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -70.39 -24.25 62.91 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.146 0.498 . . . . 0.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -74.93 -24.6 58.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -85.33 -20.85 29.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.618 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -53.97 -50.35 66.72 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.53 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 120.893 0.378 . . . . 0.0 110.732 -179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.566 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.506 -0.72 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.1 -31.7 63.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.37 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.61 -50.54 60.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.773 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.92 -22.15 60.78 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.967 0.413 . . . . 0.0 110.906 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.4 mp -75.96 -44.79 38.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.693 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.86 -35.96 81.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.66 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -64.53 -46.28 83.58 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.994 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.23 -38.1 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.476 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -65.85 -37.14 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.481 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -76.97 -37.19 55.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.278 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.99 -38.0 89.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.827 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.93 -39.89 90.92 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -65.26 -32.62 74.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.901 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.48 -41.91 95.17 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.63 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.58 -19.43 62.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.811 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.97 -33.28 45.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.493 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.87 -42.91 80.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.233 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.56 -41.11 89.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.89 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -65.74 -37.47 86.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.414 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.75 -28.76 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.238 0.542 . . . . 0.0 109.637 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -74.56 -18.49 60.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.665 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -82.14 -20.56 37.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 C--O 1.215 -0.738 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.704 177.513 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.048 0.451 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 3.9 p-10 -63.6 -21.31 66.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.36 -17.4 58.26 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.378 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -86.18 -23.87 26.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.91 -40.28 24.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.203 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.62 -36.36 84.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.92 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.45 -31.16 65.21 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.88 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.58 -41.07 93.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 110.42 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -78.79 -33.37 46.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.415 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 7.8 t30 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.833 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.11 -37.22 81.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -66.01 -39.52 90.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -59.62 -42.33 92.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.187 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 6.4 mm-40 -69.56 -37.9 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.922 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.5 -42.78 98.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.72 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.415 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -53.6 49.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.724 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.14 -41.45 92.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.81 -49.74 70.27 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.328 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -75.12 -31.29 61.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.99 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.82 -44.91 94.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.261 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.63 -42.18 82.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.975 0.416 . . . . 0.0 110.3 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -60.06 -41.58 92.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.586 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.929 178.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 120.983 0.42 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.86 -33.56 73.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.36 72.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.347 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 9.7 tp10 -70.07 -42.82 72.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 8' ' ' ALA . 3.5 mp -57.32 -42.24 81.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.286 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.07 -46.79 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.83 -41.47 95.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.123 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 78.8 mt -61.34 -44.76 96.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.53 . . . . 0.0 110.935 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HZ1' ' HB3' ' A' ' 16' ' ' LYS . 6.6 ttpm? -72.4 -39.17 68.16 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.493 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.52 -35.2 80.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.976 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.77 -35.65 75.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.018 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.6 mmt180 -67.97 -29.84 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.903 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -59.39 -44.62 92.76 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.12 -31.48 71.96 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.043 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.64 -49.29 71.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.202 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.88 67.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.421 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -70.1 -52.11 26.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.31 -38.51 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.41 -46.13 87.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.661 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -65.18 -26.79 68.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.002 0.429 . . . . 0.0 110.166 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -81.46 -22.31 38.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.046 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -82.31 -47.47 12.33 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.859 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 C--O 1.223 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.347 179.553 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.459 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 12.0 p-10 -59.32 -36.59 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.433 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -59.37 -37.45 77.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.389 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -75.54 -18.97 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 109.876 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 13.8 mt -81.41 -35.89 30.17 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.91 -39.21 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.421 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 83.5 mtp180 -63.9 -37.99 89.44 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.07 -43.65 91.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.68 177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.67 -42.09 99.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.047 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -59.53 -41.09 89.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.46 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -45.72 72.46 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 2.5 mmp_? -53.9 -54.56 37.03 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.588 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -65.26 -35.82 82.21 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.256 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' GLU . 36.8 tt0 -63.5 -43.57 96.84 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.358 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.64 -48.34 77.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.876 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -32.57 62.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 17.1 tp10 -63.94 -56.61 13.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.26 -43.25 78.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.269 0.557 . . . . 0.0 110.682 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.64 -48.28 69.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.249 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -74.54 -34.07 62.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.77 -36.05 83.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -61.56 -48.76 79.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.301 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 m -61.95 -40.3 95.07 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.483 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.218 -0.559 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 17.5 m-20 -59.92 -39.71 86.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -32.51 72.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.82 -24.52 41.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.6 mt -70.96 -43.48 68.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.26 -26.6 68.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.182 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 8.3 tpm_? -78.55 -51.86 9.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.685 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.77 -42.5 97.77 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -54.69 -43.71 72.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -65.73 -49.83 67.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 6.9 mm-40 -60.28 -43.76 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -68.18 -40.72 82.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 52.6 t-80 -63.83 -48.31 77.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.714 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.17 -23.59 63.96 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.751 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.4 -43.07 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.371 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.699 0.285 . . . . 0.0 110.484 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 43.3 mm-40 -67.87 -33.5 74.87 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -71.51 -46.85 58.54 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.677 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -51.54 -44.04 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.706 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.94 -34.25 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.08 -24.11 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.553 . . . . 0.0 109.764 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.57 -28.74 45.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -78.74 -53.59 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.319 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 110.828 -179.8 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.224 0.535 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.2 m-20 -63.68 -42.01 98.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.371 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 14' ' ' ARG . . . -61.01 -32.64 72.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.98 -46.16 58.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 0.0 110.15 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.12 -28.76 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.068 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.79 -48.06 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.876 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 29.0 mmm180 -62.36 -45.89 91.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.346 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.3 -40.78 71.49 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.659 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -77.97 -49.12 14.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.19 -46.02 86.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.075 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.98 -34.38 76.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 5.9 tpt180 -71.2 -28.8 64.48 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.112 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.18 -38.86 89.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.121 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.5 tp10 -69.58 -29.31 66.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.984 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.84 -20.56 45.75 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.09 -44.14 66.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.41 -38.8 85.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.332 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 39.9 mt-10 -69.66 -38.56 77.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.357 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.88 -31.47 72.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.447 0.641 . . . . 0.0 109.981 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.25 -21.67 45.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.839 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -87.74 -30.53 20.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.486 0.66 . . . . 0.0 109.287 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.3 t -76.57 -21.97 54.92 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.23 -175.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.174 0.511 . . . . 0.0 110.211 178.304 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.425 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 8.2 m-20 -60.74 -40.64 93.17 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.858 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -55.27 -38.44 68.59 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.022 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -45.92 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 111.008 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.6 pp -63.83 -26.98 68.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.708 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.53 -39.71 67.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.718 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 80.3 mtp180 -64.94 -45.01 87.58 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.955 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.57 -29.86 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.71 -40.82 79.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.965 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -66.71 -45.35 79.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.138 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.01 -37.39 82.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -58.51 -49.52 77.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.455 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -72.7 -33.25 66.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.94 -43.81 86.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.69 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -66.77 -53.71 30.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.96 70.15 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.05 -37.97 61.54 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.199 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.2 tp -65.58 -47.99 73.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.724 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -53.58 -41.6 66.71 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.983 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -68.08 -26.53 65.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.39 -31.52 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.685 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 75.8 mmtt -66.95 -44.41 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.704 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -63.99 -37.68 88.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.233 0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.03 178.376 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.534 0.683 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.483 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 p-10 -61.51 -36.35 80.27 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.805 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.25 67.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 44.1 tt0 -85.4 -23.16 28.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 0.0 109.323 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 13.8 mt -75.57 -45.57 37.0 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.32 -31.57 72.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.413 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.151 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.7 mt -70.5 -33.34 71.11 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.201 0.524 . . . . 0.0 109.772 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.5 -42.65 91.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -63.49 -42.0 98.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.114 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.25 -45.3 91.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.898 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.29 -46.96 72.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.621 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -54.81 -48.18 73.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.532 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.7 -44.33 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -72.17 -19.27 61.78 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.131 0.491 . . . . 0.0 110.639 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.01 18.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.084 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.84 -39.68 79.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.253 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.15 -37.4 69.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.541 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.13 -43.37 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -68.78 -35.32 76.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.421 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.85 -44.75 96.57 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.028 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.26 -47.35 77.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.101 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 t -44.26 -49.2 9.41 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.829 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.514 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 121.197 0.522 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 23.1 t70 -68.25 -39.12 82.33 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.475 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.67 -25.11 67.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.539 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -81.58 -45.84 15.28 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.951 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.5 pp -63.16 -28.18 69.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.507 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -76.97 -38.1 53.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.866 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -62.49 -37.39 85.81 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.71 -38.58 88.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.094 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.42 -38.04 86.56 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.798 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 71.2 m-20 -67.22 -48.16 68.67 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.223 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.35 -36.46 73.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.187 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -61.97 -41.81 98.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.088 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.46 -34.63 74.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 5.5 mm-40 -63.55 -40.49 97.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.993 0.425 . . . . 0.0 110.405 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 17.0 tp10 -72.64 -28.61 62.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.219 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.43 -21.75 52.54 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.171 0.51 . . . . 0.0 110.128 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.64 -46.81 62.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.3 mt -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.246 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.8 mt-10 -54.13 -56.11 21.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.489 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -65.81 -36.6 83.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.68 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.87 -48.92 79.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.94 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 34.8 mtmm -67.01 -22.38 65.9 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.187 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -78.76 -33.92 46.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 110.584 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 -179.71 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' HD12 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.266 0.555 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.36 -34.86 74.46 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.104 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.91 73.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.319 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -71.33 -38.31 71.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 8' ' ' ALA . 6.0 mp -58.66 -44.77 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.591 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.5 -42.66 83.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.994 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 14' ' ' ARG . 55.6 mtt-85 -59.55 -44.42 93.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.99 -50.51 62.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.885 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -56.69 -45.97 81.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.57 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.77 -46.81 57.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.524 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.99 -49.67 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.896 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -64.01 -39.18 93.54 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.519 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.49 -40.04 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.237 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.4 -40.4 93.4 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.068 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -64.01 -49.38 72.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.794 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.5 -19.15 14.07 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.885 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.93 -47.04 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.94 -37.79 80.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.212 0.529 . . . . 0.0 109.639 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.77 -38.71 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.015 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.17 -35.14 49.19 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.213 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.85 -47.43 85.08 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.259 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.37 -56.64 16.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.12 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -55.41 -46.91 76.58 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.717 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.221 -0.433 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.042 179.182 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.992 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -70.05 -24.9 63.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.68 0.276 . . . . 0.0 111.272 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -87.37 -27.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.399 . . . . 0.0 110.297 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' HA ' ' HB1' ' A' ' 8' ' ' ALA . 25.8 mm-40 -56.91 -60.11 4.06 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.51 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 59.8 mttm 58.06 51.11 9.14 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 55.0 mt 85.67 -50.87 0.08 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.491 1.116 . . . . 0.0 112.376 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -153.54 104.51 2.74 Favored 'General case' 0 N--CA 1.411 -2.414 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.619 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HB1' ' HA ' ' A' ' 4' ' ' GLU . . . -86.93 -18.48 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 170.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 t70 -62.66 -44.4 96.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.047 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.45 68.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.967 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.88 -42.51 33.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.061 0.457 . . . . 0.0 109.901 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pp -65.95 -27.6 68.29 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.035 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -70.28 -47.26 62.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.038 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.33 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.72 -38.94 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.23 -39.9 92.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.41 -31.04 53.79 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.6 -42.99 93.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.391 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -67.34 -35.19 78.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.375 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -56.13 -41.53 75.47 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.5 -30.87 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.8 tp10 -81.22 -30.76 34.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.41 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.82 -25.79 37.55 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.191 0.52 . . . . 0.0 109.604 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -70.33 -45.98 65.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.971 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.2 -33.61 73.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.745 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 31.7 mt-10 -57.67 -45.47 85.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.103 174.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -75.4 -36.16 60.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.02 -44.67 97.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 38.2 mtmm -69.16 -18.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -79.73 -44.38 20.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.06 -54.18 12.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.807 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -64.3 -18.76 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.175 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.533 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 t60 -50.78 -35.08 30.07 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 122.968 0.507 . . . . 0.0 111.94 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -89.91 -10.48 45.03 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.492 0.663 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -93.32 -12.16 30.71 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.989 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.17 -29.1 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.976 0.417 . . . . 0.0 110.8 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.35 -17.13 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 109.907 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.87 -43.67 6.33 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.753 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -156.38 153.67 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.412 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.39 74.14 4.93 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.896 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -47.21 -39.92 15.08 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -163.84 149.66 11.16 Favored 'General case' 0 N--CA 1.401 -2.91 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 37.0 mtmm -47.22 -38.62 12.5 Favored 'General case' 0 C--N 1.282 -2.365 0 O-C-N 124.024 0.828 . . . . 0.0 112.985 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.68 -29.49 62.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.288 0.566 . . . . 0.0 111.157 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.63 -40.91 11.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.595 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 30.7 tt0 -60.93 -32.96 72.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.024 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.14 -45.28 92.64 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.314 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -51.92 -43.46 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.096 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.69 -52.74 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.937 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 77.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.756 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.61 101.18 1.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.273 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--N 1.314 -0.949 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.287 179.098 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.433 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.46 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 37.6 m -62.58 -57.11 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.646 0.223 . . . . 0.0 111.227 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -63.23 -32.62 57.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 121.11 0.481 . . . . 0.0 110.144 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.45 -46.23 80.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.069 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -78.42 -32.26 48.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 2' ' ' SER . 95.1 mt -79.24 -31.79 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.085 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 10' ' ' ALA . 35.0 m -148.28 100.65 3.18 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.616 ' O ' HD12 ' A' ' 12' ' ' LEU . . . -78.5 -19.02 53.93 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.058 0.456 . . . . 0.0 110.082 175.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 13.7 t70 -56.96 -44.87 83.01 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' H ' HG23 ' A' ' 7' ' ' THR . . . -63.23 -33.56 75.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.78 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.08 -37.72 53.91 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.188 0.518 . . . . 0.0 109.99 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 8' ' ' ALA . 2.1 mp -61.66 -38.9 89.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.727 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.8 mm100 -59.15 -40.06 84.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.672 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -60.04 -46.13 90.54 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.06 -49.94 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -58.89 -42.33 89.28 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.06 -50.67 18.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.895 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.75 -43.2 98.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.783 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -62.23 -33.21 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.752 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -71.31 -33.98 70.17 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.91 -43.14 75.82 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.656 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.32 -28.94 64.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.82 -16.41 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.74 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.2 -44.26 38.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.045 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.11 -37.2 81.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -60.02 -37.25 79.21 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.758 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' NH2' ' HB3' ' A' ' 51' ' ' ASP . 70.8 mtt85 -72.53 -31.2 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.88 -38.53 76.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.62 -56.92 14.59 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 p -58.52 -42.97 88.95 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.414 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 30.5 tt0 -60.42 -57.88 10.87 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -50.36 -34.05 22.64 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -81.97 -50.99 8.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -79.68 -12.42 59.81 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 40.6 t60 -57.06 -21.72 33.68 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.781 0.432 . . . . 0.0 111.109 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.62 -14.64 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -125.96 -48.13 1.63 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.093 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -132.57 113.64 13.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.938 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.74 -51.94 66.94 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.19 29.49 0.79 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -108.78 75.04 0.94 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.965 0.888 . . . . 0.0 109.925 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -130.73 124.94 32.62 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.4 -1.273 . . . . 0.0 107.882 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -69.43 -13.72 62.51 Favored 'General case' 0 C--N 1.262 -3.218 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.433 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.68 94.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.864 0.364 . . . . 0.0 110.76 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.12 -21.37 22.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.952 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.55 -37.6 42.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.173 0.511 . . . . 0.0 110.611 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -83.09 -29.16 28.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.597 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -117.93 90.88 3.43 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.908 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.34 -63.17 1.11 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.117 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 33.4 t70 58.03 89.07 0.05 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.112 0.565 . . . . 0.0 111.934 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.735 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.986 0 N-CA-C 112.026 -0.429 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -67.14 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 122.658 0.383 . . . . 0.0 111.273 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.2 -29.79 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 120.981 0.42 . . . . 0.0 110.559 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.0 mm-40 -74.57 -18.76 60.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.023 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -78.48 -47.62 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.42 -0.23 40.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.145 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.1 m -148.74 100.24 3.08 Favored 'General case' 0 N--CA 1.417 -2.085 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -159.89 -44.15 0.05 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.89 0.376 . . . . 0.0 110.05 178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.9 -42.55 99.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.282 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.02 -48.99 31.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.96 -26.09 64.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.59 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.58 -59.3 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.092 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -68.22 -27.97 66.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.718 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 tp -66.29 -37.41 85.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.245 0.545 . . . . 0.0 110.204 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -82.82 -43.94 16.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.802 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -66.99 -43.42 83.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.916 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.52 -43.45 89.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -62.65 -46.76 86.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.328 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.8 -36.21 83.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.9 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.67 -38.39 86.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.171 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.03 -48.23 79.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.16 67.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.666 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.72 -48.46 71.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.61 -33.01 74.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.266 0.555 . . . . 0.0 110.185 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' OE2' ' HD2' ' A' ' 29' ' ' LYS . 9.5 tp10 -56.6 -40.04 74.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.282 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.8 -25.82 63.96 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.349 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.38 -29.64 68.39 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 26' ' ' GLU . 95.5 mttt -65.18 -47.98 75.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -57.94 -34.58 70.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.597 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 36.5 tt0 -61.32 -43.48 98.8 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.1 mtp180 -57.83 -31.75 66.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.117 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -82.26 -13.09 57.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.313 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 1.2 m-20 -61.1 -17.05 50.57 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -70.94 -31.03 67.51 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.11 -31.59 72.85 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -88.08 -2.98 58.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.228 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -100.04 -46.96 5.16 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.996 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -159.25 134.93 8.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.03 15.12 4.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.971 0.415 . . . . 0.0 111.642 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -154.21 80.21 1.12 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.378 0.608 . . . . 0.0 109.418 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.504 ' NE ' ' HA ' ' A' ' 42' ' ' ARG . 4.4 mmp_? -149.84 125.78 10.54 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -68.94 -12.11 61.32 Favored 'General case' 0 C--N 1.274 -2.708 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.758 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.55 -50.41 53.47 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.822 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.65 -45.61 93.42 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.11 -44.94 94.49 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.43 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.08 -12.83 13.38 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.63 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -95.08 -56.03 2.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.6 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.82 -28.93 70.2 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.998 0.427 . . . . 0.0 111.548 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.24 158.23 44.89 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.207 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -156.58 125.26 5.86 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.506 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.884 -177.763 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -149.74 155.42 40.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.93 -3.59 10.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.1 71.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.183 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 59.04 23.13 11.25 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.3 mt 63.54 31.54 14.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.627 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.8 m -146.88 100.74 3.35 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -154.65 -46.66 0.09 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 9.4 m-20 -61.55 -38.91 89.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.84 70.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.883 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.0 -23.85 59.5 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.406 0.622 . . . . 0.0 109.459 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.5 mt -80.96 -39.81 25.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.023 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 94.8 mt-30 -58.28 -44.2 88.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.355 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -59.35 -46.45 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.15 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.48 -44.48 89.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 67.0 mttm -57.28 -49.45 76.03 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.6 -46.09 89.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.37 -47.54 83.73 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.908 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -72.76 -29.17 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.695 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.46 -30.08 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.75 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -72.08 -53.77 11.83 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -47.04 -46.05 21.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 pt-20 -67.35 -42.76 82.99 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.503 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.12 -42.83 91.5 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.187 0.518 . . . . 0.0 110.012 176.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 44.1 tt0 -61.48 -29.85 70.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.514 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 99.6 mtt180 -80.67 -33.87 35.23 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.965 0.412 . . . . 0.0 110.075 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 85.6 mt -64.8 -33.76 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.188 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.65 -33.98 73.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -74.11 -29.26 61.75 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 31.9 mt-10 -65.61 -43.56 89.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -46.3 -47.17 18.39 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.346 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 -36.67 62.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.35 -44.42 80.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -76.63 -28.86 56.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.663 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.17 -27.45 62.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 39' ' ' GLU . 23.3 ttmm -137.18 73.44 1.45 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.403 0.62 . . . . 0.0 109.872 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -67.76 29.49 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.324 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 37' ' ' LYS . 9.6 pt-20 -147.16 92.4 2.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.845 0.355 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.88 161.04 0.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.233 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 56.66 81.11 0.14 Allowed 'General case' 0 C--N 1.36 1.058 0 CA-C-O 121.613 0.72 . . . . 0.0 109.445 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -122.61 164.24 18.57 Favored 'General case' 0 N--CA 1.388 -3.536 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -53.42 -50.36 65.37 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-N 114.192 -1.367 . . . . 0.0 113.515 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.22 87.64 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.004 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.7 -15.93 62.22 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -85.97 -43.99 12.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.004 0.431 . . . . 0.0 111.019 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -89.79 -32.98 16.7 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.931 0.872 . . . . 0.0 108.865 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 tptt 64.43 64.09 0.72 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 113.442 -1.708 . . . . 0.0 111.461 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.5 -46.57 72.52 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 121.093 0.473 . . . . 0.0 110.644 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.42 -161.44 1.33 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.109 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -74.44 -60.95 2.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.206 -179.68 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -103.78 -20.13 14.05 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.626 0.251 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -52.82 -37.18 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -75.01 -43.03 56.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.765 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 62.0 tttp 61.24 29.52 18.75 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.43 0.633 . . . . 0.0 110.198 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt 66.42 27.12 9.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.198 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.9 m -147.87 99.28 3.07 Favored 'General case' 0 N--CA 1.415 -2.196 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.479 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -99.1 -18.65 17.61 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.66 -33.93 56.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.08 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.77 -40.78 60.93 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.689 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.68 -23.37 31.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.007 0.432 . . . . 0.0 110.727 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 8' ' ' ALA . 7.5 mp -69.45 -49.55 53.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.551 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.24 -29.17 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.621 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -78.23 -24.67 46.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -66.73 -39.05 87.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.88 -31.35 69.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.25 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.51 -45.46 79.46 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.485 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -55.08 -42.6 73.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.7 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -66.84 -40.51 87.98 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.935 0.398 . . . . 0.0 110.413 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -57.46 -45.43 84.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.037 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.0 mt-10 -76.93 -19.96 56.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.84 -35.82 43.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 109.877 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.36 -41.01 94.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.003 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.94 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 20.4 mm-40 -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.915 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -70.39 -24.25 62.91 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.146 0.498 . . . . 0.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -74.93 -24.6 58.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -85.33 -20.85 29.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.618 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -53.97 -50.35 66.72 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.53 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -44.82 89.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.893 0.378 . . . . 0.0 110.732 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -66.62 -35.07 79.3 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.454 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.38 -46.16 91.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.039 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.23 -49.05 71.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -74.64 -15.3 60.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.841 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.17 -36.25 79.32 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.313 0.578 . . . . 0.0 110.231 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -108.29 3.85 23.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.348 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt 64.41 -58.93 0.22 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.081 1.353 . . . . 0.0 113.813 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.6 -2.01 56.8 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.98 59.27 4.74 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.272 0.357 . . . . 0.0 110.159 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -46.38 -35.03 5.08 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -164.14 124.32 2.09 Favored 'General case' 0 N--CA 1.41 -2.433 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 27.2 mtpp -86.22 -12.91 48.42 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.553 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.58 -16.46 2.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 HD22 ' O ' ' A' ' 45' ' ' LEU . 6.0 tt -90.03 -30.65 17.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 1.4 pp20? -84.66 -24.06 29.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -54.9 -45.38 74.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.391 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.61 119.82 5.82 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.594 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 76.2 mt -105.12 13.15 31.19 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.837 -0.54 . . . . 0.0 110.565 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 49' ' ' LEU . . . 160.61 -95.09 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.605 1.191 . . . . 0.0 110.776 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 56.81 -164.0 0.16 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.215 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.851 179.589 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -95.55 23.1 6.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.648 0.261 . . . . 0.0 110.517 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 t 57.7 33.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -85.09 -19.07 32.44 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.188 -176.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -64.07 -23.86 67.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.4 tp -72.52 -40.53 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 0.0 110.052 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.1 m -148.98 100.58 3.08 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -69.7 -26.99 64.62 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.1 -31.7 63.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.37 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.61 -50.54 60.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.773 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.92 -22.15 60.78 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.967 0.413 . . . . 0.0 110.906 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.4 mp -75.96 -44.79 38.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.693 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.86 -35.96 81.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.66 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -64.53 -46.28 83.58 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.994 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.23 -38.1 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.476 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -65.85 -37.14 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.481 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -76.97 -37.19 55.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.278 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.99 -38.0 89.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.827 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.93 -39.89 90.92 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -65.26 -32.62 74.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.901 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.48 -41.91 95.17 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.63 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.58 -19.43 62.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.811 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.97 -33.28 45.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.493 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.87 -42.91 80.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.233 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.56 -41.11 89.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.89 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -65.74 -37.47 86.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.414 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.75 -28.76 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.238 0.542 . . . . 0.0 109.637 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -74.56 -18.49 60.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.665 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -82.14 -20.56 37.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -70.78 -56.88 5.37 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.704 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -58.76 -32.38 69.23 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.161 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -70.31 -13.71 62.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -56.38 -39.6 73.23 Favored 'General case' 0 C--O 1.21 -1.016 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.51 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -59.74 -24.77 64.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -90.38 -9.14 48.73 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -151.24 44.62 0.8 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -76.83 85.78 3.41 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.982 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 12.7 pt-20 -157.19 26.21 0.3 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.364 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.03 37.55 21.12 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 37.5 tt0 -146.18 97.36 2.93 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -124.66 128.96 49.63 Favored 'General case' 0 N--CA 1.404 -2.734 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -52.72 -23.49 6.82 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.813 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.17 60.12 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.592 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.16 -37.82 88.82 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.827 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.66 -56.49 6.32 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.221 0.534 . . . . 0.0 111.499 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -76.93 -19.55 57.25 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.733 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 66.31 178.82 0.21 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.768 0.427 . . . . 0.0 110.434 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -88.96 -24.72 22.35 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.397 0.618 . . . . 0.0 109.594 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.39 143.9 25.11 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.56 2.42 13.96 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.715 . . . . 0.0 110.61 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.357 -179.482 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 59.98 38.1 21.02 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 122.843 0.457 . . . . 0.0 110.758 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.93 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.63 -52.85 11.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.162 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 81.6 tttt 50.54 23.36 1.29 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.511 0.724 . . . . 0.0 112.71 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt 61.47 25.29 15.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.025 0.44 . . . . 0.0 110.966 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 9' ' ' ASP . 71.8 p -116.63 -174.02 2.49 Favored 'General case' 0 N--CA 1.389 -3.483 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 75.89 -19.87 0.38 Allowed 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 124.208 1.003 . . . . 0.0 111.642 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 3.9 p-10 -63.6 -21.31 66.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.36 -17.4 58.26 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.378 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -86.18 -23.87 26.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.91 -40.28 24.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.203 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.62 -36.36 84.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.92 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.45 -31.16 65.21 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.88 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.58 -41.07 93.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 110.42 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -78.79 -33.37 46.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.415 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.529 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 7.8 t30 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.833 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.11 -37.22 81.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -66.01 -39.52 90.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -59.62 -42.33 92.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.187 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 6.4 mm-40 -69.56 -37.9 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.922 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.5 -42.78 98.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.72 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.415 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -53.6 49.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.724 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.14 -41.45 92.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.81 -49.74 70.27 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.328 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -75.12 -31.29 61.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.99 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 51.1 tp -62.82 -44.91 94.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.261 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.63 -42.18 82.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.975 0.416 . . . . 0.0 110.3 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -60.06 -41.58 92.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.586 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.579 ' OE2' ' HD2' ' A' ' 32' ' ' ARG . 9.9 tm-20 -65.37 -53.22 46.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.929 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.579 ' HD2' ' OE2' ' A' ' 31' ' ' GLU . 14.2 mmm180 -53.11 -48.47 67.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.479 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -68.87 -32.11 71.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -75.62 -25.06 56.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.116 0.484 . . . . 0.0 110.847 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -93.73 -28.13 16.11 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.977 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.59 -25.98 63.16 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.013 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.43 -36.83 69.43 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.21 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -100.77 -56.86 2.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 175.18 151.27 0.11 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.22 -179.23 6.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.238 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.46 85.71 0.1 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.751 0.786 . . . . 0.0 110.843 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -142.49 141.94 32.2 Favored 'General case' 0 N--CA 1.4 -2.932 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.7 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -54.5 -11.66 0.58 Allowed 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 113.959 -1.473 . . . . 0.0 112.852 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.36 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.75 -25.88 66.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.205 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.17 -21.02 47.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.254 0.549 . . . . 0.0 110.024 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 2.2 m-20 -78.12 -3.92 44.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.248 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.97 -38.3 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.187 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 tp -139.86 18.82 2.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.223 0.535 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . . . -69.49 169.08 13.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 18.1 t70 -124.1 141.55 51.96 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.461 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 34.8 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.725 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -85.22 -165.26 1.16 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.394 0.14 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -148.56 -41.55 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 C-N-CA 122.518 0.327 . . . . 0.0 110.418 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 22.3 mm-40 -132.82 -113.65 0.22 Allowed 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.98 18.94 4.24 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.343 0.592 . . . . 0.0 110.741 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 4' ' ' GLU . 92.8 mt -128.74 -15.4 4.41 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.077 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.4 p -107.66 -172.05 1.99 Allowed 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 12' ' ' LEU . . . -59.56 -12.58 6.77 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.37 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.86 -33.56 73.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.36 72.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.347 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 9.7 tp10 -70.07 -42.82 72.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 8' ' ' ALA . 3.5 mp -57.32 -42.24 81.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.286 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.07 -46.79 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.83 -41.47 95.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.123 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 78.8 mt -61.34 -44.76 96.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.53 . . . . 0.0 110.935 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HZ1' ' HB3' ' A' ' 16' ' ' LYS . 6.6 ttpm? -72.4 -39.17 68.16 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.493 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.52 -35.2 80.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.976 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.77 -35.65 75.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.018 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.6 mmt180 -67.97 -29.84 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.903 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -59.39 -44.62 92.76 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.12 -31.48 71.96 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.043 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.64 -49.29 71.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.202 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.88 67.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.421 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -70.1 -52.11 26.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.31 -38.51 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.41 -46.13 87.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.661 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -65.18 -26.79 68.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.002 0.429 . . . . 0.0 110.166 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -81.46 -22.31 38.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.046 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -82.31 -47.47 12.33 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.859 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -58.84 -48.78 80.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.347 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.14 -21.08 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 111.52 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -83.3 -46.7 12.31 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -89.54 -9.63 49.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -174.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -66.26 -28.83 69.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.306 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.63 -34.58 53.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -103.55 31.57 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.318 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -82.06 -34.15 29.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.271 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -151.67 -81.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 111.466 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.36 -14.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.673 0.789 . . . . 0.0 109.427 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -85.0 53.98 2.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.476 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -126.9 148.61 50.02 Favored 'General case' 0 N--CA 1.389 -3.493 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.795 -176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -48.01 -25.33 1.35 Allowed 'General case' 0 C--N 1.276 -2.602 0 CA-C-N 113.749 -1.569 . . . . 0.0 113.622 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.45 83.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.61 0.719 . . . . 0.0 110.031 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mp -89.98 -46.13 8.72 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.308 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.48 -28.2 63.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.965 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -51.17 -43.67 61.34 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.414 0.446 . . . . 0.0 111.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -101.16 -45.35 5.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.653 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 tp 77.09 -39.7 0.33 Allowed 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.541 1.136 . . . . 0.0 111.119 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.71 133.48 38.31 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 48.27 93.59 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.794 0.684 . . . . 0.0 111.196 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 C--O 1.251 1.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.561 -176.22 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.044 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -156.69 112.03 2.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 122.667 0.387 . . . . 0.0 109.963 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -98.42 118.67 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 49.01 52.05 15.06 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.072 0.549 . . . . 0.0 112.016 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -82.08 6.63 15.71 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.564 0.697 . . . . 0.0 111.13 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp -93.6 -42.19 9.33 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.9 m -150.51 100.06 2.82 Favored 'General case' 0 N--CA 1.413 -2.321 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -130.05 -31.78 1.88 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.941 0.401 . . . . 0.0 110.305 173.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 12.0 p-10 -59.32 -36.59 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.433 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -59.37 -37.45 77.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.389 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -75.54 -18.97 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 109.876 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 13.8 mt -81.41 -35.89 30.17 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.91 -39.21 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.421 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 83.5 mtp180 -63.9 -37.99 89.44 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.07 -43.65 91.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.68 177.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.67 -42.09 99.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.047 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -59.53 -41.09 89.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.46 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -45.72 72.46 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 2.5 mmp_? -53.9 -54.56 37.03 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.588 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -65.26 -35.82 82.21 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.256 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 24' ' ' GLU . 36.8 tt0 -63.5 -43.57 96.84 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.358 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.64 -48.34 77.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.876 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -32.57 62.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 17.1 tp10 -63.94 -56.61 13.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.26 -43.25 78.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.269 0.557 . . . . 0.0 110.682 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.64 -48.28 69.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.249 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -74.54 -34.07 62.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.77 -36.05 83.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -61.56 -48.76 79.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.301 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 m -61.95 -40.3 95.07 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.483 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.49 -61.45 2.33 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -51.78 -29.0 17.23 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -67.45 -47.06 71.25 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -89.14 -33.63 17.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.928 0.394 . . . . 0.0 111.269 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -55.43 -25.69 37.65 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.467 0.707 . . . . 0.0 111.919 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.74 -27.23 68.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -109.19 -38.33 5.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.323 0.582 . . . . 0.0 109.531 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -99.35 92.73 5.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.337 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -54.65 132.39 45.31 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.41 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -169.85 -161.13 0.26 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.268 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.585 ' HG3' ' H ' ' A' ' 42' ' ' ARG . 4.9 pt-20 -109.94 -86.05 0.53 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.704 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.585 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 16.2 ttt180 -172.09 122.58 0.48 Allowed 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -85.94 -22.72 27.27 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.737 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.53 77.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.439 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.41 -16.62 3.83 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.46 -31.25 20.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.345 0.593 . . . . 0.0 109.423 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.67 -21.62 19.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.56 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 59.6 tttm -91.7 11.85 23.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.565 0.697 . . . . 0.0 110.027 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 tp -154.89 -71.11 0.12 Allowed 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 76.15 35.23 0.48 Allowed 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.066 0.854 . . . . 0.0 110.413 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.94 -12.22 11.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.753 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.011 -0.995 . . . . 0.0 112.531 178.242 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -81.53 140.24 34.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.658 0.266 . . . . 0.0 110.523 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.34 -14.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.698 0.761 . . . . 0.0 109.613 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.654 ' O ' HG22 ' A' ' 7' ' ' THR . 50.6 mt-10 -96.43 -51.79 4.22 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.501 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 66.04 65.62 0.51 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.602 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.8 mt 81.51 -14.94 0.76 Allowed 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 4' ' ' GLU . 14.6 t -93.44 106.52 18.48 Favored 'General case' 0 N--CA 1.403 -2.8 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . 90.36 -27.93 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.206 1.402 . . . . 0.0 109.484 -176.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 17.5 m-20 -59.92 -39.71 86.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -32.51 72.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.82 -24.52 41.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.6 mt -70.96 -43.48 68.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.26 -26.6 68.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.182 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.626 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 8.3 tpm_? -78.55 -51.86 9.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.685 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.77 -42.5 97.77 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -54.69 -43.71 72.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -65.73 -49.83 67.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.626 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 6.9 mm-40 -60.28 -43.76 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -68.18 -40.72 82.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.652 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 52.6 t-80 -63.83 -48.31 77.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.714 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.17 -23.59 63.96 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.751 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.4 -43.07 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.371 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.699 0.285 . . . . 0.0 110.484 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 43.3 mm-40 -67.87 -33.5 74.87 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -71.51 -46.85 58.54 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.677 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -51.54 -44.04 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.706 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.94 -34.25 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.08 -24.11 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.553 . . . . 0.0 109.764 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.57 -28.74 45.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -78.74 -53.59 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.319 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 51' ' ' ASP . 52.0 ttp180 -68.26 -30.57 69.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.081 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -81.78 -20.96 38.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.621 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -68.03 -9.64 47.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.67 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -60.35 -30.62 69.65 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.95 -32.54 74.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.447 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -71.16 -12.88 61.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.64 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 70.03 22.01 5.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.168 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -89.58 -0.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.92 -68.41 0.4 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.381 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 55.55 79.28 0.16 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.288 0.635 . . . . 0.0 110.286 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -167.19 127.25 1.47 Allowed 'General case' 0 N--CA 1.411 -2.387 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.22 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -69.35 -12.79 61.96 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.123 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -50.92 -46.98 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.795 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.1 -26.09 67.3 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.99 -42.88 14.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.348 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -62.87 -6.55 3.87 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 44' ' ' ALA . 46.2 mmtm -67.63 159.84 29.12 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.86 1.27 4.58 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.94 -72.5 0.1 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.611 0.243 . . . . 0.0 110.585 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 29.3 m-20 -146.74 147.36 30.86 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 C--N 1.306 -1.326 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.582 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -81.05 95.94 6.99 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.041 0.448 . . . . 0.0 110.483 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.0 m -72.92 -30.53 32.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.269 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 56.32 67.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.417 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -131.99 39.34 3.45 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt 67.52 28.19 7.66 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.367 0.603 . . . . 0.0 110.322 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 9' ' ' ASP . 6.1 t -139.48 154.1 47.66 Favored 'General case' 0 N--CA 1.383 -3.776 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.89 -36.29 0.31 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.721 1.208 . . . . 0.0 110.575 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.2 m-20 -63.68 -42.01 98.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.371 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 14' ' ' ARG . . . -61.01 -32.64 72.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.98 -46.16 58.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 0.0 110.15 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.12 -28.76 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.068 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.79 -48.06 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.876 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 29.0 mmm180 -62.36 -45.89 91.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.346 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.3 -40.78 71.49 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.659 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -77.97 -49.12 14.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.19 -46.02 86.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.075 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.98 -34.38 76.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 5.9 tpt180 -71.2 -28.8 64.48 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.112 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.18 -38.86 89.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.121 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.5 tp10 -69.58 -29.31 66.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.984 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.84 -20.56 45.75 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.09 -44.14 66.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.41 -38.8 85.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.332 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 39.9 mt-10 -69.66 -38.56 77.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.357 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.88 -31.47 72.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.447 0.641 . . . . 0.0 109.981 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.25 -21.67 45.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.839 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -87.74 -30.53 20.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.486 0.66 . . . . 0.0 109.287 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 21.3 t -76.57 -21.97 54.92 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.23 -175.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.82 -37.71 85.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.174 0.511 . . . . 0.0 110.211 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -83.84 -37.15 22.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.174 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -70.0 -15.22 62.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.382 0.611 . . . . 0.0 109.819 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.4 t70 -72.03 -13.25 61.55 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -61.97 -24.47 67.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.878 0.371 . . . . 0.0 110.346 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -87.46 -40.42 14.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.545 ' HE2' ' O ' ' A' ' 39' ' ' GLU . 20.5 pttm -92.43 -30.5 15.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.758 -177.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 54.93 32.18 17.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.891 0.877 . . . . 0.0 112.744 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.545 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 40.5 tt0 -159.75 124.82 4.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.863 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 61.55 -164.93 0.23 Allowed 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.94 0.775 . . . . 0.0 112.215 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -116.01 -48.93 2.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.625 0.25 . . . . 0.0 110.974 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.473 HH12 ' CD ' ' A' ' 26' ' ' GLU . 44.3 mtt180 -169.89 126.19 0.84 Allowed 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -176.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.98 -24.0 52.28 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.572 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.58 -41.5 69.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.778 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 mp -70.6 -41.14 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.76 -36.86 85.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.19 -33.51 32.93 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.48 -54.1 50.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.625 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 3.8 pp -72.55 5.04 3.29 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.28 176.67 4.92 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -143.73 127.76 17.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.573 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.244 0.764 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.194 178.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -75.16 -25.44 58.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.939 0.399 . . . . 0.0 110.186 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -53.57 -40.06 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.139 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.15 -8.34 16.5 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -110.49 -42.48 4.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.086 0.47 . . . . 0.0 109.746 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.77 -26.18 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.541 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 p -146.1 102.04 3.58 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.07 -41.56 0.05 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.004 0.43 . . . . 0.0 110.048 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 8.2 m-20 -60.74 -40.64 93.17 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.858 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -55.27 -38.44 68.59 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.022 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -45.92 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 111.008 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.6 pp -63.83 -26.98 68.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.708 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.53 -39.71 67.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.718 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 80.3 mtp180 -64.94 -45.01 87.58 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.955 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.57 -29.86 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.71 -40.82 79.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.965 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -66.71 -45.35 79.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.138 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.01 -37.39 82.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -58.51 -49.52 77.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.455 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -72.7 -33.25 66.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.94 -43.81 86.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.69 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -66.77 -53.71 30.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.96 70.15 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.05 -37.97 61.54 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.199 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.2 tp -65.58 -47.99 73.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.724 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -53.58 -41.6 66.71 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.983 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -68.08 -26.53 65.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.39 -31.52 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.685 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 75.8 mmtt -66.95 -44.41 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.704 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -63.99 -37.68 88.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.63 -42.63 83.77 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.03 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.467 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 74.6 ttt180 -65.1 -49.5 69.75 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.941 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -54.04 -38.05 64.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.607 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.82 -7.19 59.28 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 5.7 p80 -49.78 -37.89 31.96 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.33 -34.92 61.25 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.681 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -67.58 -40.61 84.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.98 -33.94 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.747 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.07 -50.69 53.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.23 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -178.98 -161.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.797 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.22 -40.52 37.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -171.65 122.45 0.52 Allowed 'General case' 0 N--CA 1.412 -2.349 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -64.32 -14.65 57.41 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.277 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.19 -37.07 61.62 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.763 0.316 . . . . 0.0 111.087 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.23 -36.31 69.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -72.54 -39.72 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.473 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -62.96 -42.65 99.89 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -55.05 -50.94 67.85 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.417 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp 65.84 1.73 1.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 172.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.22 136.7 45.76 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 122.129 -0.357 . . . . 0.0 111.162 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -151.89 150.88 30.57 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.054 -178.399 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m 67.89 12.69 8.93 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.033 0.533 . . . . 0.0 111.463 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 t -80.24 59.79 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -146.65 -51.79 0.22 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.471 -178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -70.69 -29.54 65.87 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.62 -74.31 0.36 Allowed 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.417 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 p -151.77 102.55 2.86 Favored 'General case' 0 N--CA 1.414 -2.256 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.82 -37.59 26.81 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 118.709 0.686 . . . . 0.0 109.353 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.483 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 p-10 -61.51 -36.35 80.27 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.805 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.25 67.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 44.1 tt0 -85.4 -23.16 28.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 0.0 109.323 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 13.8 mt -75.57 -45.57 37.0 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.32 -31.57 72.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.413 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.151 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.7 mt -70.5 -33.34 71.11 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.201 0.524 . . . . 0.0 109.772 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.5 -42.65 91.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -63.49 -42.0 98.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.114 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.25 -45.3 91.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.898 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.29 -46.96 72.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.621 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -54.81 -48.18 73.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.532 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.7 -44.33 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -72.17 -19.27 61.78 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.131 0.491 . . . . 0.0 110.639 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.01 18.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.084 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.84 -39.68 79.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.253 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.15 -37.4 69.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.541 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.13 -43.37 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -68.78 -35.32 76.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.421 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.85 -44.75 96.57 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.028 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.26 -47.35 77.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.101 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 t -44.26 -49.2 9.41 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.829 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -52.41 -47.36 66.33 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -62.03 -34.92 77.12 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.902 0.382 . . . . 0.0 110.816 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.544 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 70.9 m80 -74.94 -42.98 56.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.56 -9.11 31.78 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.522 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 68.6 t60 -90.65 -13.93 33.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 9.1 t70 -98.21 -23.04 15.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.262 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.9 mmtp -77.08 -22.76 52.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.154 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.457 ' HB3' ' HG2' ' A' ' 42' ' ' ARG . 46.6 mmtm -79.3 68.71 5.37 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.264 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.36 178.79 5.73 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.01 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 61.97 88.11 0.09 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.167 0.587 . . . . 0.0 111.894 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 65.16 80.68 0.22 Allowed 'General case' 0 C--N 1.366 1.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.457 ' HG2' ' HB3' ' A' ' 38' ' ' LYS . 6.1 tpt180 -171.44 128.16 0.67 Allowed 'General case' 0 N--CA 1.409 -2.52 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -57.15 -22.21 38.47 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.721 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 35' ' ' HIS . . . -54.0 -31.92 52.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -56.96 -14.91 4.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.463 0.705 . . . . 0.0 112.366 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -77.05 -35.13 57.05 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -96.49 -47.15 6.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.887 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 36' ' ' ASP . 12.8 tptp 53.7 -163.11 0.11 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.0 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 28.1 tp -97.78 17.74 17.34 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.651 -0.656 . . . . 0.0 110.658 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.04 -44.76 1.04 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.744 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 69.43 123.72 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.26 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 t80 . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.015 -175.846 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 m -90.61 -41.51 11.3 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.581 0.229 . . . . 0.0 111.448 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.01 -9.49 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.135 0.493 . . . . 0.0 110.785 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.15 -67.83 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.307 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 67.0 mttm 63.52 23.69 13.74 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 95.9 mt 80.57 -21.98 0.3 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.28 1.032 . . . . 0.0 112.275 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 t -152.63 101.6 2.65 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-O 121.014 0.435 . . . . 0.0 109.936 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.25 -25.27 5.72 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.197 0.522 . . . . 0.0 109.857 172.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 23.1 t70 -68.25 -39.12 82.33 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.475 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.67 -25.11 67.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.539 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -81.58 -45.84 15.28 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.951 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.5 pp -63.16 -28.18 69.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.507 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -76.97 -38.1 53.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.866 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -62.49 -37.39 85.81 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.71 -38.58 88.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.094 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.42 -38.04 86.56 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.798 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.436 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 71.2 m-20 -67.22 -48.16 68.67 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.223 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.35 -36.46 73.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.187 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -61.97 -41.81 98.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.088 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.46 -34.63 74.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 5.5 mm-40 -63.55 -40.49 97.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.993 0.425 . . . . 0.0 110.405 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 17.0 tp10 -72.64 -28.61 62.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.219 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.43 -21.75 52.54 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.171 0.51 . . . . 0.0 110.128 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.64 -46.81 62.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.3 mt -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.246 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.8 mt-10 -54.13 -56.11 21.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.489 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -65.81 -36.6 83.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.68 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.87 -48.92 79.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.94 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 34.8 mtmm -67.01 -22.38 65.9 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.187 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -78.76 -33.92 46.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 110.584 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.25 -52.2 6.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -60.75 -19.02 58.22 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.411 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.3 t60 -50.68 -33.6 23.3 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 123.393 0.677 . . . . 0.0 112.263 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -89.7 -9.92 47.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.658 0.742 . . . . 0.0 111.052 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -93.34 -7.37 44.98 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.493 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.76 -39.12 93.18 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.767 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.86 -25.84 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.28 -47.54 12.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -174.41 153.08 1.85 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.38 120.36 18.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.061 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -106.05 -1.34 23.97 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.558 0.617 . . . . 0.0 111.422 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -172.12 146.62 1.95 Allowed 'General case' 0 N--CA 1.406 -2.628 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -43.57 -43.99 5.9 Favored 'General case' 0 C--N 1.287 -2.136 0 O-C-N 123.885 0.741 . . . . 0.0 111.691 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -51.87 -38.94 57.98 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.56 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.67 -36.24 23.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.75 -39.8 92.87 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.055 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.54 -44.13 91.81 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.334 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 44' ' ' ALA . 34.5 mmtp -51.82 -48.5 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.119 175.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -66.02 -59.93 3.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.07 95.34 0.01 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.351 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -88.46 94.56 9.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.343 0.592 . . . . 0.0 111.203 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 C--N 1.31 -1.143 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.452 176.85 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.373 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 13.4 m -68.44 -48.57 64.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.698 0.285 . . . . 0.0 110.95 -178.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.52 -34.26 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 109.937 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.607 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -79.03 -49.51 12.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.627 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 2' ' ' SER . 91.1 mt -60.41 -30.5 69.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.272 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -145.96 100.46 3.4 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.517 ' O ' HD12 ' A' ' 12' ' ' LEU . . . -77.57 -19.71 55.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.266 0.555 . . . . 0.0 110.067 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.36 -34.86 74.46 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.104 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.91 73.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.319 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -71.33 -38.31 71.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 8' ' ' ALA . 6.0 mp -58.66 -44.77 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.591 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.5 -42.66 83.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.994 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 14' ' ' ARG . 55.6 mtt-85 -59.55 -44.42 93.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.99 -50.51 62.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.885 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -56.69 -45.97 81.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.57 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.77 -46.81 57.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.524 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.99 -49.67 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.896 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -64.01 -39.18 93.54 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.519 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.49 -40.04 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.237 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.4 -40.4 93.4 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.068 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -64.01 -49.38 72.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.794 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.5 -19.15 14.07 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.885 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.93 -47.04 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.94 -37.79 80.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.212 0.529 . . . . 0.0 109.639 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.77 -38.71 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.015 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.17 -35.14 49.19 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.213 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.85 -47.43 85.08 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.259 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.37 -56.64 16.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.12 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -55.41 -46.91 76.58 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.717 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.69 -50.6 73.21 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.042 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -58.48 -43.14 88.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.578 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -74.14 -28.68 61.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.013 0.435 . . . . 0.0 110.704 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -85.32 -11.17 55.29 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.28 0.562 . . . . 0.0 110.069 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -65.82 -8.29 20.82 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.48 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -141.54 -51.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.164 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -123.04 105.54 10.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.284 0.564 . . . . 0.0 110.077 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.24 -35.93 63.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.032 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.03 60.83 1.25 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.941 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -157.7 90.6 1.09 Allowed 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -142.26 124.68 15.67 Favored 'General case' 0 N--CA 1.412 -2.329 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.95 -20.1 42.74 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.868 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.83 -36.26 64.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.353 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.5 mt -87.53 -15.69 36.79 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.005 0.431 . . . . 0.0 110.847 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -87.7 -23.58 24.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.697 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.51 -39.59 80.54 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.478 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 51' ' ' ASP . 24.8 ttmm -140.25 154.85 47.0 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.267 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.46 -63.56 1.04 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.36 0.527 . . . . 0.0 110.763 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.65 -36.41 32.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.373 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 35.7 t70 47.78 92.31 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.124 0.89 . . . . 0.0 111.455 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 118.641 -0.695 . . . . 0.0 109.595 -176.513 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 t70 -62.66 -44.4 96.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.047 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.45 68.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.967 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.88 -42.51 33.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.061 0.457 . . . . 0.0 109.901 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pp -65.95 -27.6 68.29 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.035 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -70.28 -47.26 62.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.038 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.33 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.72 -38.94 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.23 -39.9 92.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.41 -31.04 53.79 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.6 -42.99 93.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.391 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -67.34 -35.19 78.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.375 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -56.13 -41.53 75.47 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.5 -30.87 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.8 tp10 -81.22 -30.76 34.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.41 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.82 -25.79 37.55 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.191 0.52 . . . . 0.0 109.604 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -70.33 -45.98 65.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.971 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.2 -33.61 73.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.745 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 31.7 mt-10 -57.67 -45.47 85.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.103 174.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -75.4 -36.16 60.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.02 -44.67 97.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -69.16 -18.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -79.73 -44.38 20.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.807 179.453 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.512 -0.485 0 CA-C-O 121.058 0.456 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 13.7 t70 -56.96 -44.87 83.01 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -63.23 -33.56 75.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.78 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.08 -37.72 53.91 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.188 0.518 . . . . 0.0 109.99 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 8' ' ' ALA . 2.1 mp -61.66 -38.9 89.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.727 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.8 mm100 -59.15 -40.06 84.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.672 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 89.2 mtt-85 -60.04 -46.13 90.54 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.06 -49.94 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -58.89 -42.33 89.28 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.06 -50.67 18.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.895 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.75 -43.2 98.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.783 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -62.23 -33.21 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.752 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -71.31 -33.98 70.17 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.91 -43.14 75.82 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.656 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.32 -28.94 64.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.82 -16.41 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.74 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.2 -44.26 38.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.045 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.11 -37.2 81.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -60.02 -37.25 79.21 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.758 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -72.53 -31.2 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.88 -38.53 76.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.62 -56.92 14.59 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 p -58.52 -42.97 88.95 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.414 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.21 -1.026 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.404 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 120.89 0.376 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.9 -42.55 99.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.282 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.02 -48.99 31.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.96 -26.09 64.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.59 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.58 -59.3 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.092 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -68.22 -27.97 66.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.718 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 tp -66.29 -37.41 85.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.245 0.545 . . . . 0.0 110.204 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -82.82 -43.94 16.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.802 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -66.99 -43.42 83.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.916 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.52 -43.45 89.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -62.65 -46.76 86.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.328 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.8 -36.21 83.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.9 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.67 -38.39 86.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.171 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.03 -48.23 79.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.16 67.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.666 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.72 -48.46 71.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.61 -33.01 74.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.266 0.555 . . . . 0.0 110.185 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE2' ' HD2' ' A' ' 29' ' ' LYS . 9.5 tp10 -56.6 -40.04 74.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.282 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.8 -25.82 63.96 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.349 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.38 -29.64 68.39 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' OE2' ' A' ' 26' ' ' GLU . 95.5 mttt -65.18 -47.98 75.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -57.94 -34.58 70.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.597 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.986 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 9.4 m-20 -61.55 -38.91 89.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.84 70.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.883 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.0 -23.85 59.5 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.406 0.622 . . . . 0.0 109.459 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.5 mt -80.96 -39.81 25.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.023 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 94.8 mt-30 -58.28 -44.2 88.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.355 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -59.35 -46.45 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.15 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.48 -44.48 89.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 67.0 mttm -57.28 -49.45 76.03 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.6 -46.09 89.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.37 -47.54 83.73 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.908 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -72.76 -29.17 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.695 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.46 -30.08 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.75 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -72.08 -53.77 11.83 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -47.04 -46.05 21.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 pt-20 -67.35 -42.76 82.99 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.503 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.12 -42.83 91.5 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.187 0.518 . . . . 0.0 110.012 176.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 44.1 tt0 -61.48 -29.85 70.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.514 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 99.6 mtt180 -80.67 -33.87 35.23 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.965 0.412 . . . . 0.0 110.075 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 85.6 mt -64.8 -33.76 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.188 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.65 -33.98 73.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -74.11 -29.26 61.75 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 31.9 mt-10 . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.504 -0.792 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.66 -33.93 56.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.08 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.77 -40.78 60.93 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.689 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.68 -23.37 31.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.007 0.432 . . . . 0.0 110.727 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 8' ' ' ALA . 7.5 mp -69.45 -49.55 53.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.551 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.24 -29.17 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.621 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -78.23 -24.67 46.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -66.73 -39.05 87.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.88 -31.35 69.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.25 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.51 -45.46 79.46 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.485 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -55.08 -42.6 73.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.7 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -66.84 -40.51 87.98 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.935 0.398 . . . . 0.0 110.413 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -57.46 -45.43 84.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.037 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.0 mt-10 -76.93 -19.96 56.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.84 -35.82 43.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 109.877 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.36 -41.01 94.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.003 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.94 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 20.4 mm-40 -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.915 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -70.39 -24.25 62.91 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.146 0.498 . . . . 0.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -74.93 -24.6 58.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -85.33 -20.85 29.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.618 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -53.97 -50.35 66.72 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.53 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 120.893 0.378 . . . . 0.0 110.732 -179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.506 -0.72 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.1 -31.7 63.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.37 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.61 -50.54 60.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.773 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.92 -22.15 60.78 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.967 0.413 . . . . 0.0 110.906 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.4 mp -75.96 -44.79 38.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.693 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.86 -35.96 81.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.66 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -64.53 -46.28 83.58 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.994 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.23 -38.1 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.476 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -65.85 -37.14 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.481 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -76.97 -37.19 55.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.278 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.99 -38.0 89.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.827 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.93 -39.89 90.92 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -65.26 -32.62 74.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.901 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.48 -41.91 95.17 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.63 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.58 -19.43 62.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.811 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.97 -33.28 45.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.493 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.87 -42.91 80.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.233 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.56 -41.11 89.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.89 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -65.74 -37.47 86.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.414 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.75 -28.76 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.238 0.542 . . . . 0.0 109.637 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -74.56 -18.49 60.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.665 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -82.14 -20.56 37.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 C--O 1.215 -0.738 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.704 177.513 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.048 0.451 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 3.9 p-10 -63.6 -21.31 66.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.36 -17.4 58.26 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.378 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -86.18 -23.87 26.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.91 -40.28 24.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.203 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.62 -36.36 84.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.92 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.45 -31.16 65.21 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.88 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.58 -41.07 93.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 110.42 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -78.79 -33.37 46.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.415 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 7.8 t30 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.833 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.11 -37.22 81.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -66.01 -39.52 90.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -59.62 -42.33 92.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.187 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 6.4 mm-40 -69.56 -37.9 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.922 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.5 -42.78 98.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.72 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.415 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -53.6 49.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.724 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.14 -41.45 92.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.81 -49.74 70.27 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.328 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -75.12 -31.29 61.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.99 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.82 -44.91 94.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.261 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.63 -42.18 82.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.975 0.416 . . . . 0.0 110.3 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -60.06 -41.58 92.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.586 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.929 178.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 120.983 0.42 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.86 -33.56 73.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.36 72.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.347 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 9.7 tp10 -70.07 -42.82 72.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 8' ' ' ALA . 3.5 mp -57.32 -42.24 81.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.286 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.07 -46.79 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.83 -41.47 95.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.123 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 78.8 mt -61.34 -44.76 96.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.53 . . . . 0.0 110.935 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -72.4 -39.17 68.16 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.52 -35.2 80.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.976 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.77 -35.65 75.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.018 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.6 mmt180 -67.97 -29.84 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.903 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -59.39 -44.62 92.76 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.12 -31.48 71.96 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.043 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.64 -49.29 71.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.202 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.88 67.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.421 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -70.1 -52.11 26.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.31 -38.51 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.41 -46.13 87.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.661 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -65.18 -26.79 68.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.002 0.429 . . . . 0.0 110.166 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -81.46 -22.31 38.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.046 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -82.31 -47.47 12.33 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.859 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 C--O 1.223 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.347 179.553 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.45 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 12.0 p-10 -59.32 -36.59 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.433 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -59.37 -37.45 77.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.389 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -75.54 -18.97 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 109.876 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 13.8 mt -81.41 -35.89 30.17 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.91 -39.21 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.421 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 83.5 mtp180 -63.9 -37.99 89.44 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.07 -43.65 91.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.68 177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.67 -42.09 99.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.047 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -59.53 -41.09 89.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.46 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -45.72 72.46 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 2.5 mmp_? -53.9 -54.56 37.03 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.588 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -65.26 -35.82 82.21 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.256 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' GLU . 36.8 tt0 -63.5 -43.57 96.84 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.358 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.64 -48.34 77.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.876 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -32.57 62.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 17.1 tp10 -63.94 -56.61 13.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.26 -43.25 78.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.269 0.557 . . . . 0.0 110.682 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.64 -48.28 69.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.249 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -74.54 -34.07 62.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.77 -36.05 83.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -61.56 -48.76 79.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.301 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 m -61.95 -40.3 95.07 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.483 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.218 -0.559 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 17.5 m-20 -59.92 -39.71 86.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -32.51 72.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.82 -24.52 41.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.6 mt -70.96 -43.48 68.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.26 -26.6 68.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.182 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 8.3 tpm_? -78.55 -51.86 9.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.685 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.77 -42.5 97.77 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -54.69 -43.71 72.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -65.73 -49.83 67.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 6.9 mm-40 -60.28 -43.76 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -68.18 -40.72 82.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 52.6 t-80 -63.83 -48.31 77.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.714 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.17 -23.59 63.96 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.751 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.4 -43.07 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.371 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.699 0.285 . . . . 0.0 110.484 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 43.3 mm-40 -67.87 -33.5 74.87 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -71.51 -46.85 58.54 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.677 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -51.54 -44.04 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.706 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 27' ' ' ARG . 38.6 ttm105 -62.94 -34.25 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.547 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.08 -24.11 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.553 . . . . 0.0 109.764 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.57 -28.74 45.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -78.74 -53.59 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.319 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 110.828 -179.8 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.224 0.535 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.2 m-20 -63.68 -42.01 98.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.371 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . . . -61.01 -32.64 72.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.98 -46.16 58.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 0.0 110.15 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.12 -28.76 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.068 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.79 -48.06 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.876 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 29.0 mmm180 -62.36 -45.89 91.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.346 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.3 -40.78 71.49 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.659 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -77.97 -49.12 14.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.19 -46.02 86.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.075 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.98 -34.38 76.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 5.9 tpt180 -71.2 -28.8 64.48 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.112 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.18 -38.86 89.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.121 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.5 tp10 -69.58 -29.31 66.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.984 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.84 -20.56 45.75 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.09 -44.14 66.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.41 -38.8 85.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.332 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 39.9 mt-10 -69.66 -38.56 77.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.357 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.88 -31.47 72.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.447 0.641 . . . . 0.0 109.981 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.25 -21.67 45.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.839 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -87.74 -30.53 20.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.486 0.66 . . . . 0.0 109.287 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.3 t -76.57 -21.97 54.92 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.23 -175.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.174 0.511 . . . . 0.0 110.211 178.304 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 8.2 m-20 -60.74 -40.64 93.17 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.858 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -55.27 -38.44 68.59 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.022 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -45.92 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 111.008 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.6 pp -63.83 -26.98 68.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.708 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.53 -39.71 67.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.718 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 80.3 mtp180 -64.94 -45.01 87.58 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.955 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.57 -29.86 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.71 -40.82 79.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.965 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -66.71 -45.35 79.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.138 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.01 -37.39 82.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -58.51 -49.52 77.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.455 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -72.7 -33.25 66.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.94 -43.81 86.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.69 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -66.77 -53.71 30.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.96 70.15 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.05 -37.97 61.54 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.199 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.2 tp -65.58 -47.99 73.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.724 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -53.58 -41.6 66.71 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.983 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -68.08 -26.53 65.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.39 -31.52 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.685 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 75.8 mmtt -66.95 -44.41 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.704 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -63.99 -37.68 88.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.233 0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.03 178.376 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.534 0.683 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 p-10 -61.51 -36.35 80.27 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.805 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.25 67.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 44.1 tt0 -85.4 -23.16 28.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 0.0 109.323 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 13.8 mt -75.57 -45.57 37.0 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.32 -31.57 72.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.413 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.151 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.7 mt -70.5 -33.34 71.11 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.201 0.524 . . . . 0.0 109.772 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.5 -42.65 91.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -63.49 -42.0 98.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.114 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.25 -45.3 91.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.898 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.29 -46.96 72.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.621 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -54.81 -48.18 73.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.532 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.7 -44.33 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -72.17 -19.27 61.78 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.131 0.491 . . . . 0.0 110.639 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.01 18.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.084 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.84 -39.68 79.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.253 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.15 -37.4 69.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.541 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.13 -43.37 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -68.78 -35.32 76.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.421 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.85 -44.75 96.57 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.028 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.26 -47.35 77.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.101 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 t -44.26 -49.2 9.41 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.829 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.514 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 121.197 0.522 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.25 -39.12 82.33 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.475 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.67 -25.11 67.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.539 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -81.58 -45.84 15.28 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.951 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.16 -28.18 69.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -76.97 -38.1 53.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.866 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -62.49 -37.39 85.81 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.71 -38.58 88.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.094 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.42 -38.04 86.56 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.798 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 71.2 m-20 -67.22 -48.16 68.67 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.223 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.35 -36.46 73.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.187 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -61.97 -41.81 98.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.088 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.46 -34.63 74.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 5.5 mm-40 -63.55 -40.49 97.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.993 0.425 . . . . 0.0 110.405 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 17.0 tp10 -72.64 -28.61 62.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.219 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' OE1' ' A' ' 26' ' ' GLU . . . -77.43 -21.75 52.54 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.171 0.51 . . . . 0.0 110.128 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.64 -46.81 62.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.3 mt -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.246 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.8 mt-10 -54.13 -56.11 21.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.489 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -65.81 -36.6 83.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.68 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.87 -48.92 79.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.94 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 34.8 mtmm -67.01 -22.38 65.9 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.187 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -78.76 -33.92 46.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 110.584 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 -179.71 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.534 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.266 0.555 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.36 -34.86 74.46 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.104 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.91 73.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.319 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -71.33 -38.31 71.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.0 mp -58.66 -44.77 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.591 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.5 -42.66 83.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.994 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -59.55 -44.42 93.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.99 -50.51 62.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.885 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -56.69 -45.97 81.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.57 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.77 -46.81 57.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.524 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.99 -49.67 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.896 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -64.01 -39.18 93.54 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.519 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.49 -40.04 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.237 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.4 -40.4 93.4 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.068 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -64.01 -49.38 72.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.794 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.5 -19.15 14.07 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.885 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.93 -47.04 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.94 -37.79 80.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.212 0.529 . . . . 0.0 109.639 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.77 -38.71 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.015 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.17 -35.14 49.19 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.213 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.85 -47.43 85.08 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.259 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.37 -56.64 16.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.12 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -55.41 -46.91 76.58 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.717 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.221 -0.433 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.042 179.182 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.992 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -70.05 -24.9 63.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.68 0.276 . . . . 0.0 111.272 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -87.37 -27.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.399 . . . . 0.0 110.297 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 25.8 mm-40 -56.91 -60.11 4.06 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.51 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 59.8 mttm 58.06 51.11 9.14 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 55.0 mt 85.67 -50.87 0.08 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.491 1.116 . . . . 0.0 112.376 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -153.54 104.51 2.74 Favored 'General case' 0 N--CA 1.411 -2.414 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.619 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' A' ' 4' ' ' GLU . . . -86.93 -18.48 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 170.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 t70 -62.66 -44.4 96.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.047 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.45 68.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.967 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.88 -42.51 33.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.061 0.457 . . . . 0.0 109.901 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pp -65.95 -27.6 68.29 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.035 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -70.28 -47.26 62.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.038 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.33 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.72 -38.94 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.23 -39.9 92.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.41 -31.04 53.79 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.6 -42.99 93.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.391 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -67.34 -35.19 78.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.375 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -56.13 -41.53 75.47 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.5 -30.87 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.8 tp10 -81.22 -30.76 34.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.41 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.82 -25.79 37.55 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.191 0.52 . . . . 0.0 109.604 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -70.33 -45.98 65.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.971 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.2 -33.61 73.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.745 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 31.7 mt-10 -57.67 -45.47 85.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.103 174.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -75.4 -36.16 60.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.02 -44.67 97.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 38.2 mtmm -69.16 -18.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -79.73 -44.38 20.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.06 -54.18 12.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.807 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -64.3 -18.76 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.175 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 t60 -50.78 -35.08 30.07 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 122.968 0.507 . . . . 0.0 111.94 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -89.91 -10.48 45.03 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.492 0.663 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -93.32 -12.16 30.71 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.989 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.17 -29.1 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.976 0.417 . . . . 0.0 110.8 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.35 -17.13 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 109.907 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.87 -43.67 6.33 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.753 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -156.38 153.67 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.412 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.39 74.14 4.93 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.896 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -47.21 -39.92 15.08 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -163.84 149.66 11.16 Favored 'General case' 0 N--CA 1.401 -2.91 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 37.0 mtmm -47.22 -38.62 12.5 Favored 'General case' 0 C--N 1.282 -2.365 0 O-C-N 124.024 0.828 . . . . 0.0 112.985 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.68 -29.49 62.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.288 0.566 . . . . 0.0 111.157 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.63 -40.91 11.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.595 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 30.7 tt0 -60.93 -32.96 72.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.024 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.14 -45.28 92.64 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.314 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -51.92 -43.46 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.096 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.69 -52.74 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.937 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 77.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.756 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.61 101.18 1.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.273 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--N 1.314 -0.949 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.287 179.098 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.433 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 37.6 m -62.58 -57.11 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.646 0.223 . . . . 0.0 111.227 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -63.23 -32.62 57.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 121.11 0.481 . . . . 0.0 110.144 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.45 -46.23 80.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.069 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 36.0 ttpt -78.42 -32.26 48.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.426 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 2' ' ' SER . 95.1 mt -79.24 -31.79 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.085 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 10' ' ' ALA . 35.0 m -148.28 100.65 3.18 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -78.5 -19.02 53.93 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.058 0.456 . . . . 0.0 110.082 175.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 13.7 t70 -56.96 -44.87 83.01 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' H ' HG22 ' A' ' 7' ' ' THR . . . -63.23 -33.56 75.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.78 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.08 -37.72 53.91 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.188 0.518 . . . . 0.0 109.99 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 8' ' ' ALA . 2.1 mp -61.66 -38.9 89.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.727 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.8 mm100 -59.15 -40.06 84.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.672 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 89.2 mtt-85 -60.04 -46.13 90.54 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.06 -49.94 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -58.89 -42.33 89.28 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.06 -50.67 18.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.895 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.75 -43.2 98.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.783 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -62.23 -33.21 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.752 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -71.31 -33.98 70.17 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.91 -43.14 75.82 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.656 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.32 -28.94 64.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.82 -16.41 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.74 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.2 -44.26 38.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.045 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.11 -37.2 81.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -60.02 -37.25 79.21 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.758 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' NH2' ' HB3' ' A' ' 51' ' ' ASP . 70.8 mtt85 -72.53 -31.2 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.88 -38.53 76.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.62 -56.92 14.59 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 p -58.52 -42.97 88.95 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.414 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 30.5 tt0 -60.42 -57.88 10.87 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -50.36 -34.05 22.64 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -81.97 -50.99 8.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -79.68 -12.42 59.81 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 40.6 t60 -57.06 -21.72 33.68 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.781 0.432 . . . . 0.0 111.109 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.62 -14.64 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -125.96 -48.13 1.63 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.093 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -132.57 113.64 13.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.938 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.74 -51.94 66.94 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.19 29.49 0.79 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -108.78 75.04 0.94 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.965 0.888 . . . . 0.0 109.925 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -130.73 124.94 32.62 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.4 -1.273 . . . . 0.0 107.882 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -69.43 -13.72 62.51 Favored 'General case' 0 C--N 1.262 -3.218 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.433 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.68 94.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.864 0.364 . . . . 0.0 110.76 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.12 -21.37 22.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.952 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.55 -37.6 42.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.173 0.511 . . . . 0.0 110.611 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -83.09 -29.16 28.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.597 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -117.93 90.88 3.43 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.908 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.34 -63.17 1.11 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.117 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 33.4 t70 58.03 89.07 0.05 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.112 0.565 . . . . 0.0 111.934 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.735 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.986 0 N-CA-C 112.026 -0.429 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -67.14 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 122.658 0.383 . . . . 0.0 111.273 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.2 -29.79 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 120.981 0.42 . . . . 0.0 110.559 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 9.0 mm-40 -74.57 -18.76 60.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.023 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -78.48 -47.62 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.42 -0.23 40.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.145 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.1 m -148.74 100.24 3.08 Favored 'General case' 0 N--CA 1.417 -2.085 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -159.89 -44.15 0.05 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.89 0.376 . . . . 0.0 110.05 178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.9 -42.55 99.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.282 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.02 -48.99 31.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.96 -26.09 64.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.59 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.58 -59.3 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.092 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -68.22 -27.97 66.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.718 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 tp -66.29 -37.41 85.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.245 0.545 . . . . 0.0 110.204 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -82.82 -43.94 16.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.802 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -66.99 -43.42 83.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.916 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.52 -43.45 89.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -62.65 -46.76 86.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.328 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.8 -36.21 83.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.9 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.67 -38.39 86.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.171 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.03 -48.23 79.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.16 67.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.666 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.72 -48.46 71.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.61 -33.01 74.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.266 0.555 . . . . 0.0 110.185 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE2' ' HD2' ' A' ' 29' ' ' LYS . 9.5 tp10 -56.6 -40.04 74.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.282 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.8 -25.82 63.96 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.349 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.38 -29.64 68.39 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' OE2' ' A' ' 26' ' ' GLU . 95.5 mttt -65.18 -47.98 75.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -57.94 -34.58 70.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.597 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 36.5 tt0 -61.32 -43.48 98.8 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.1 mtp180 -57.83 -31.75 66.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.117 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -82.26 -13.09 57.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.313 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 1.2 m-20 -61.1 -17.05 50.57 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -70.94 -31.03 67.51 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.11 -31.59 72.85 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -88.08 -2.98 58.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.228 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -100.04 -46.96 5.16 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.996 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 41' ' ' GLU . 10.7 tp10 -159.25 134.93 8.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.703 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.03 15.12 4.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.971 0.415 . . . . 0.0 111.642 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 31.0 tt0 -154.21 80.21 1.12 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.378 0.608 . . . . 0.0 109.418 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NE ' ' HA ' ' A' ' 42' ' ' ARG . 4.4 mmp_? -149.84 125.78 10.54 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -68.94 -12.11 61.32 Favored 'General case' 0 C--N 1.274 -2.708 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.758 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.55 -50.41 53.47 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.822 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.65 -45.61 93.42 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.11 -44.94 94.49 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.43 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.08 -12.83 13.38 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.63 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -95.08 -56.03 2.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.6 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.82 -28.93 70.2 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.998 0.427 . . . . 0.0 111.548 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.24 158.23 44.89 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.207 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -156.58 125.26 5.86 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.506 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.884 -177.763 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -149.74 155.42 40.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.93 -3.59 10.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.1 71.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.183 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 59.04 23.13 11.25 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.3 mt 63.54 31.54 14.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.627 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.8 m -146.88 100.74 3.35 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -154.65 -46.66 0.09 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 9.4 m-20 -61.55 -38.91 89.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.84 70.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.883 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.0 -23.85 59.5 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.406 0.622 . . . . 0.0 109.459 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.5 mt -80.96 -39.81 25.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.023 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 94.8 mt-30 -58.28 -44.2 88.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.355 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -59.35 -46.45 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.15 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.48 -44.48 89.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 67.0 mttm -57.28 -49.45 76.03 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.6 -46.09 89.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.37 -47.54 83.73 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.908 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -72.76 -29.17 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.695 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.46 -30.08 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.75 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -72.08 -53.77 11.83 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -47.04 -46.05 21.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 pt-20 -67.35 -42.76 82.99 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.503 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.12 -42.83 91.5 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.187 0.518 . . . . 0.0 110.012 176.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 44.1 tt0 -61.48 -29.85 70.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.514 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 99.6 mtt180 -80.67 -33.87 35.23 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.965 0.412 . . . . 0.0 110.075 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 85.6 mt -64.8 -33.76 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.188 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.65 -33.98 73.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 2.5 p -74.11 -29.26 61.75 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 31.9 mt-10 -65.61 -43.56 89.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -46.3 -47.17 18.39 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.346 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 -36.67 62.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.35 -44.42 80.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -76.63 -28.86 56.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.663 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.17 -27.45 62.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 39' ' ' GLU . 23.3 ttmm -137.18 73.44 1.45 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.403 0.62 . . . . 0.0 109.872 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -67.76 29.49 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.324 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 37' ' ' LYS . 9.6 pt-20 -147.16 92.4 2.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.845 0.355 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.88 161.04 0.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.233 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 56.66 81.11 0.14 Allowed 'General case' 0 C--N 1.36 1.058 0 CA-C-O 121.613 0.72 . . . . 0.0 109.445 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -122.61 164.24 18.57 Favored 'General case' 0 N--CA 1.388 -3.536 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' CD ' ' HG2' ' A' ' 31' ' ' GLU . 61.2 pttt -53.42 -50.36 65.37 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-N 114.192 -1.367 . . . . 0.0 113.515 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.22 87.64 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.004 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.7 -15.93 62.22 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 30' ' ' SER . 31.3 tt0 -85.97 -43.99 12.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.004 0.431 . . . . 0.0 111.019 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -89.79 -32.98 16.7 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.931 0.872 . . . . 0.0 108.865 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 tptt 64.43 64.09 0.72 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 113.442 -1.708 . . . . 0.0 111.461 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.5 -46.57 72.52 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 121.093 0.473 . . . . 0.0 110.644 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.42 -161.44 1.33 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.109 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -74.44 -60.95 2.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.206 -179.68 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -103.78 -20.13 14.05 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.626 0.251 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -52.82 -37.18 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -75.01 -43.03 56.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.765 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 62.0 tttp 61.24 29.52 18.75 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.43 0.633 . . . . 0.0 110.198 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt 66.42 27.12 9.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.198 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.9 m -147.87 99.28 3.07 Favored 'General case' 0 N--CA 1.415 -2.196 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -99.1 -18.65 17.61 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.66 -33.93 56.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.08 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.77 -40.78 60.93 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.689 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.68 -23.37 31.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.007 0.432 . . . . 0.0 110.727 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 8' ' ' ALA . 7.5 mp -69.45 -49.55 53.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.551 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.24 -29.17 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.621 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -78.23 -24.67 46.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -66.73 -39.05 87.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.88 -31.35 69.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.25 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.51 -45.46 79.46 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.485 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -55.08 -42.6 73.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.7 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -66.84 -40.51 87.98 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.935 0.398 . . . . 0.0 110.413 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -57.46 -45.43 84.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.037 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.0 mt-10 -76.93 -19.96 56.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 49' ' ' LEU . . . -78.84 -35.82 43.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 109.877 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.36 -41.01 94.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.003 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.94 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 20.4 mm-40 -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.915 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -70.39 -24.25 62.91 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.146 0.498 . . . . 0.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -74.93 -24.6 58.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -85.33 -20.85 29.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.618 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -53.97 -50.35 66.72 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.53 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -44.82 89.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.893 0.378 . . . . 0.0 110.732 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -66.62 -35.07 79.3 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.454 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.38 -46.16 91.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.039 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.23 -49.05 71.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -74.64 -15.3 60.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.841 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.17 -36.25 79.32 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.313 0.578 . . . . 0.0 110.231 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -108.29 3.85 23.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.348 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt 64.41 -58.93 0.22 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.081 1.353 . . . . 0.0 113.813 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.6 -2.01 56.8 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.98 59.27 4.74 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.272 0.357 . . . . 0.0 110.159 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -46.38 -35.03 5.08 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -164.14 124.32 2.09 Favored 'General case' 0 N--CA 1.41 -2.433 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 27.2 mtpp -86.22 -12.91 48.42 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.553 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.58 -16.46 2.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 45' ' ' LEU . 6.0 tt -90.03 -30.65 17.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 1.4 pp20? -84.66 -24.06 29.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -54.9 -45.38 74.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.391 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.61 119.82 5.82 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.594 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 76.2 mt -105.12 13.15 31.19 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.837 -0.54 . . . . 0.0 110.565 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . 160.61 -95.09 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.605 1.191 . . . . 0.0 110.776 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 56.81 -164.0 0.16 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.215 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.851 179.589 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -95.55 23.1 6.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.648 0.261 . . . . 0.0 110.517 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 t 57.7 33.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -85.09 -19.07 32.44 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.188 -176.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -64.07 -23.86 67.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.4 tp -72.52 -40.53 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 0.0 110.052 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.1 m -148.98 100.58 3.08 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -69.7 -26.99 64.62 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.1 -31.7 63.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.37 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.61 -50.54 60.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.773 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.92 -22.15 60.78 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.967 0.413 . . . . 0.0 110.906 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.4 mp -75.96 -44.79 38.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.693 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.86 -35.96 81.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.66 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -64.53 -46.28 83.58 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.994 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.23 -38.1 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.476 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -65.85 -37.14 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.481 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -76.97 -37.19 55.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.278 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.99 -38.0 89.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.827 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.93 -39.89 90.92 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -65.26 -32.62 74.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.901 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.48 -41.91 95.17 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.63 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.58 -19.43 62.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.811 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.97 -33.28 45.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.493 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.87 -42.91 80.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.233 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.56 -41.11 89.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.89 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -65.74 -37.47 86.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.414 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.75 -28.76 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.238 0.542 . . . . 0.0 109.637 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -74.56 -18.49 60.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.665 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -82.14 -20.56 37.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -70.78 -56.88 5.37 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.704 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -58.76 -32.38 69.23 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.161 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -70.31 -13.71 62.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -56.38 -39.6 73.23 Favored 'General case' 0 C--O 1.21 -1.016 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.51 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -59.74 -24.77 64.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -90.38 -9.14 48.73 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -151.24 44.62 0.8 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -76.83 85.78 3.41 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.982 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 12.7 pt-20 -157.19 26.21 0.3 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.364 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.03 37.55 21.12 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 37.5 tt0 -146.18 97.36 2.93 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -124.66 128.96 49.63 Favored 'General case' 0 N--CA 1.404 -2.734 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -52.72 -23.49 6.82 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.813 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.17 60.12 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.592 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.16 -37.82 88.82 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.827 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.66 -56.49 6.32 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.221 0.534 . . . . 0.0 111.499 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -76.93 -19.55 57.25 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.733 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 66.31 178.82 0.21 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.768 0.427 . . . . 0.0 110.434 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -88.96 -24.72 22.35 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.397 0.618 . . . . 0.0 109.594 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.39 143.9 25.11 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.56 2.42 13.96 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.715 . . . . 0.0 110.61 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.357 -179.482 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 59.98 38.1 21.02 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 122.843 0.457 . . . . 0.0 110.758 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.93 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.63 -52.85 11.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.162 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 81.6 tttt 50.54 23.36 1.29 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.511 0.724 . . . . 0.0 112.71 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt 61.47 25.29 15.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.025 0.44 . . . . 0.0 110.966 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -116.63 -174.02 2.49 Favored 'General case' 0 N--CA 1.389 -3.483 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 75.89 -19.87 0.38 Allowed 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 124.208 1.003 . . . . 0.0 111.642 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 3.9 p-10 -63.6 -21.31 66.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.36 -17.4 58.26 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.378 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -86.18 -23.87 26.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.91 -40.28 24.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.203 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.62 -36.36 84.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.92 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.45 -31.16 65.21 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.88 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.58 -41.07 93.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 110.42 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -78.79 -33.37 46.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.415 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 7.8 t30 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.833 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.11 -37.22 81.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -66.01 -39.52 90.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -59.62 -42.33 92.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.187 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 6.4 mm-40 -69.56 -37.9 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.922 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.5 -42.78 98.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.72 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.415 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -53.6 49.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.724 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.14 -41.45 92.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.81 -49.74 70.27 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.328 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -75.12 -31.29 61.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.99 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 51.1 tp -62.82 -44.91 94.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.261 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.63 -42.18 82.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.975 0.416 . . . . 0.0 110.3 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -60.06 -41.58 92.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.586 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.596 ' OE2' ' HD2' ' A' ' 32' ' ' ARG . 9.9 tm-20 -65.37 -53.22 46.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.929 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.596 ' HD2' ' OE2' ' A' ' 31' ' ' GLU . 14.2 mmm180 -53.11 -48.47 67.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.479 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -68.87 -32.11 71.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -75.62 -25.06 56.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.116 0.484 . . . . 0.0 110.847 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -93.73 -28.13 16.11 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.977 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.59 -25.98 63.16 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.013 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.43 -36.83 69.43 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.21 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -100.77 -56.86 2.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 175.18 151.27 0.11 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.22 -179.23 6.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.238 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.46 85.71 0.1 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.751 0.786 . . . . 0.0 110.843 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -142.49 141.94 32.2 Favored 'General case' 0 N--CA 1.4 -2.932 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.7 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -54.5 -11.66 0.58 Allowed 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 113.959 -1.473 . . . . 0.0 112.852 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.36 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.75 -25.88 66.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.205 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.17 -21.02 47.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.254 0.549 . . . . 0.0 110.024 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-20 -78.12 -3.92 44.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.248 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.97 -38.3 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.187 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 tp -139.86 18.82 2.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.223 0.535 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . . . -69.49 169.08 13.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 18.1 t70 -124.1 141.55 51.96 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 34.8 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.725 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -85.22 -165.26 1.16 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.394 0.14 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -148.56 -41.55 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 C-N-CA 122.518 0.327 . . . . 0.0 110.418 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 22.3 mm-40 -132.82 -113.65 0.22 Allowed 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.98 18.94 4.24 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.343 0.592 . . . . 0.0 110.741 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 4' ' ' GLU . 92.8 mt -128.74 -15.4 4.41 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.077 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.4 p -107.66 -172.05 1.99 Allowed 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -59.56 -12.58 6.77 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.37 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.86 -33.56 73.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.36 72.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.347 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 9.7 tp10 -70.07 -42.82 72.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 8' ' ' ALA . 3.5 mp -57.32 -42.24 81.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.286 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.07 -46.79 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.83 -41.47 95.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.123 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 78.8 mt -61.34 -44.76 96.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.53 . . . . 0.0 110.935 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -72.4 -39.17 68.16 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.52 -35.2 80.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.976 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.77 -35.65 75.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.018 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.6 mmt180 -67.97 -29.84 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.903 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -59.39 -44.62 92.76 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.12 -31.48 71.96 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.043 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.64 -49.29 71.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.202 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.88 67.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.421 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -70.1 -52.11 26.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.31 -38.51 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.41 -46.13 87.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.661 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -65.18 -26.79 68.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.002 0.429 . . . . 0.0 110.166 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -81.46 -22.31 38.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.046 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -82.31 -47.47 12.33 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.859 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -58.84 -48.78 80.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.347 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.14 -21.08 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 111.52 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -83.3 -46.7 12.31 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 2.3 m-20 -89.54 -9.63 49.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -66.26 -28.83 69.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.306 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.63 -34.58 53.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 13.6 ptmm? -103.55 31.57 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.318 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -82.06 -34.15 29.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.271 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -151.67 -81.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 111.466 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.36 -14.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.673 0.789 . . . . 0.0 109.427 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -85.0 53.98 2.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.476 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -126.9 148.61 50.02 Favored 'General case' 0 N--CA 1.389 -3.493 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.795 -176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -48.01 -25.33 1.35 Allowed 'General case' 0 C--N 1.276 -2.602 0 CA-C-N 113.749 -1.569 . . . . 0.0 113.622 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.45 83.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.61 0.719 . . . . 0.0 110.031 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD23 ' HB3' ' A' ' 52' ' ' TYR . 5.7 mp -89.98 -46.13 8.72 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.308 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.48 -28.2 63.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.965 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -51.17 -43.67 61.34 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.414 0.446 . . . . 0.0 111.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 48' ' ' LYS . 9.7 pttp -101.16 -45.35 5.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.653 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 tp 77.09 -39.7 0.33 Allowed 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.541 1.136 . . . . 0.0 111.119 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.71 133.48 38.31 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 48.27 93.59 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.794 0.684 . . . . 0.0 111.196 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' HD23 ' A' ' 45' ' ' LEU . 65.8 m-85 . . . . . 0 C--O 1.251 1.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.561 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.044 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -156.69 112.03 2.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 122.667 0.387 . . . . 0.0 109.963 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -98.42 118.67 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 49.01 52.05 15.06 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.072 0.549 . . . . 0.0 112.016 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -82.08 6.63 15.71 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.564 0.697 . . . . 0.0 111.13 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp -93.6 -42.19 9.33 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.9 m -150.51 100.06 2.82 Favored 'General case' 0 N--CA 1.413 -2.321 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -130.05 -31.78 1.88 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.941 0.401 . . . . 0.0 110.305 173.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.45 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 12.0 p-10 -59.32 -36.59 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.433 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -59.37 -37.45 77.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.389 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -75.54 -18.97 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 109.876 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 13.8 mt -81.41 -35.89 30.17 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.91 -39.21 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.421 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 83.5 mtp180 -63.9 -37.99 89.44 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.07 -43.65 91.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.68 177.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.67 -42.09 99.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.047 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -59.53 -41.09 89.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.46 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -45.72 72.46 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 2.5 mmp_? -53.9 -54.56 37.03 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.588 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -65.26 -35.82 82.21 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.256 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' GLU . 36.8 tt0 -63.5 -43.57 96.84 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.358 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.64 -48.34 77.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.876 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -32.57 62.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 17.1 tp10 -63.94 -56.61 13.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.26 -43.25 78.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.269 0.557 . . . . 0.0 110.682 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.64 -48.28 69.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.249 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -74.54 -34.07 62.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.77 -36.05 83.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -61.56 -48.76 79.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.301 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 m -61.95 -40.3 95.07 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.483 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.49 -61.45 2.33 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -51.78 -29.0 17.23 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -67.45 -47.06 71.25 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -89.14 -33.63 17.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.928 0.394 . . . . 0.0 111.269 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -55.43 -25.69 37.65 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.467 0.707 . . . . 0.0 111.919 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.74 -27.23 68.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -109.19 -38.33 5.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.323 0.582 . . . . 0.0 109.531 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -99.35 92.73 5.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.337 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -54.65 132.39 45.31 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.41 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -169.85 -161.13 0.26 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.268 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.62 ' HG3' ' H ' ' A' ' 42' ' ' ARG . 4.9 pt-20 -109.94 -86.05 0.53 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.704 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.62 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 16.2 ttt180 -172.09 122.58 0.48 Allowed 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -85.94 -22.72 27.27 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.737 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.53 77.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.439 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.41 -16.62 3.83 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.46 -31.25 20.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.345 0.593 . . . . 0.0 109.423 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.67 -21.62 19.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.56 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 59.6 tttm -91.7 11.85 23.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.565 0.697 . . . . 0.0 110.027 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 tp -154.89 -71.11 0.12 Allowed 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 76.15 35.23 0.48 Allowed 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.066 0.854 . . . . 0.0 110.413 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.94 -12.22 11.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.753 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.011 -0.995 . . . . 0.0 112.531 178.242 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -81.53 140.24 34.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.658 0.266 . . . . 0.0 110.523 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.34 -14.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.698 0.761 . . . . 0.0 109.613 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.665 ' O ' HG22 ' A' ' 7' ' ' THR . 50.6 mt-10 -96.43 -51.79 4.22 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.501 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 66.04 65.62 0.51 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.602 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.8 mt 81.51 -14.94 0.76 Allowed 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 4' ' ' GLU . 14.6 t -93.44 106.52 18.48 Favored 'General case' 0 N--CA 1.403 -2.8 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . 90.36 -27.93 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.206 1.402 . . . . 0.0 109.484 -176.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 17.5 m-20 -59.92 -39.71 86.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -32.51 72.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.82 -24.52 41.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.6 mt -70.96 -43.48 68.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.26 -26.6 68.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.182 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 8.3 tpm_? -78.55 -51.86 9.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.685 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.77 -42.5 97.77 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -54.69 -43.71 72.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -65.73 -49.83 67.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 6.9 mm-40 -60.28 -43.76 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -68.18 -40.72 82.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 52.6 t-80 -63.83 -48.31 77.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.714 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.17 -23.59 63.96 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.751 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.4 -43.07 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.371 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.699 0.285 . . . . 0.0 110.484 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 43.3 mm-40 -67.87 -33.5 74.87 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -71.51 -46.85 58.54 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.677 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -51.54 -44.04 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.706 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 27' ' ' ARG . 38.6 ttm105 -62.94 -34.25 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.547 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.08 -24.11 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.553 . . . . 0.0 109.764 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.57 -28.74 45.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -78.74 -53.59 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.319 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 51' ' ' ASP . 52.0 ttp180 -68.26 -30.57 69.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.081 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -81.78 -20.96 38.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.621 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -68.03 -9.64 47.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.67 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' HA ' ' H ' ' A' ' 41' ' ' GLU . 1.4 p-80 -60.35 -30.62 69.65 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.95 -32.54 74.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.447 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -71.16 -12.88 61.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.64 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 70.03 22.01 5.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.168 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -89.58 -0.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.92 -68.41 0.4 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.381 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' H ' ' HA ' ' A' ' 35' ' ' HIS . 30.4 tt0 55.55 79.28 0.16 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.288 0.635 . . . . 0.0 110.286 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -167.19 127.25 1.47 Allowed 'General case' 0 N--CA 1.411 -2.387 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.22 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -69.35 -12.79 61.96 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.123 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -50.92 -46.98 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.795 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.1 -26.09 67.3 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.99 -42.88 14.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.348 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -62.87 -6.55 3.87 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 44' ' ' ALA . 46.2 mmtm -67.63 159.84 29.12 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.86 1.27 4.58 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.94 -72.5 0.1 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.611 0.243 . . . . 0.0 110.585 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 29.3 m-20 -146.74 147.36 30.86 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 C--N 1.306 -1.326 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.582 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -81.05 95.94 6.99 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.041 0.448 . . . . 0.0 110.483 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.0 m -72.92 -30.53 32.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.269 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 56.32 67.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.417 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -131.99 39.34 3.45 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt 67.52 28.19 7.66 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.367 0.603 . . . . 0.0 110.322 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 9' ' ' ASP . 6.1 t -139.48 154.1 47.66 Favored 'General case' 0 N--CA 1.383 -3.776 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.89 -36.29 0.31 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.721 1.208 . . . . 0.0 110.575 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.2 m-20 -63.68 -42.01 98.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.371 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . . . -61.01 -32.64 72.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.98 -46.16 58.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 0.0 110.15 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.12 -28.76 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.068 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.79 -48.06 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.876 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 29.0 mmm180 -62.36 -45.89 91.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.346 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.3 -40.78 71.49 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.659 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -77.97 -49.12 14.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.19 -46.02 86.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.075 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.98 -34.38 76.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 5.9 tpt180 -71.2 -28.8 64.48 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.112 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.18 -38.86 89.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.121 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.5 tp10 -69.58 -29.31 66.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.984 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.84 -20.56 45.75 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.09 -44.14 66.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.41 -38.8 85.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.332 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 39.9 mt-10 -69.66 -38.56 77.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.357 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.88 -31.47 72.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.447 0.641 . . . . 0.0 109.981 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.25 -21.67 45.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.839 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -87.74 -30.53 20.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.486 0.66 . . . . 0.0 109.287 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 21.3 t -76.57 -21.97 54.92 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.23 -175.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.82 -37.71 85.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.174 0.511 . . . . 0.0 110.211 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -83.84 -37.15 22.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.174 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -70.0 -15.22 62.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.382 0.611 . . . . 0.0 109.819 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.4 t70 -72.03 -13.25 61.55 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -61.97 -24.47 67.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.878 0.371 . . . . 0.0 110.346 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -87.46 -40.42 14.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HE2' ' O ' ' A' ' 39' ' ' GLU . 20.5 pttm -92.43 -30.5 15.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.758 -177.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 54.93 32.18 17.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.891 0.877 . . . . 0.0 112.744 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.546 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 40.5 tt0 -159.75 124.82 4.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.863 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 61.55 -164.93 0.23 Allowed 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.94 0.775 . . . . 0.0 112.215 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -116.01 -48.93 2.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.625 0.25 . . . . 0.0 110.974 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.484 HH12 ' CD ' ' A' ' 26' ' ' GLU . 44.3 mtt180 -169.89 126.19 0.84 Allowed 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -176.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.98 -24.0 52.28 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.572 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.58 -41.5 69.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.778 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 mp -70.6 -41.14 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.76 -36.86 85.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.19 -33.51 32.93 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.48 -54.1 50.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.625 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 3.8 pp -72.55 5.04 3.29 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.28 176.67 4.92 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -143.73 127.76 17.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.573 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.244 0.764 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.194 178.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -75.16 -25.44 58.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.939 0.399 . . . . 0.0 110.186 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -53.57 -40.06 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.139 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.15 -8.34 16.5 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -110.49 -42.48 4.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.086 0.47 . . . . 0.0 109.746 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.77 -26.18 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.541 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 p -146.1 102.04 3.58 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.07 -41.56 0.05 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.004 0.43 . . . . 0.0 110.048 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 8.2 m-20 -60.74 -40.64 93.17 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.858 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -55.27 -38.44 68.59 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.022 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -45.92 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 111.008 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.6 pp -63.83 -26.98 68.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.708 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.53 -39.71 67.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.718 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 80.3 mtp180 -64.94 -45.01 87.58 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.955 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.57 -29.86 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.71 -40.82 79.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.965 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -66.71 -45.35 79.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.138 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.01 -37.39 82.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -58.51 -49.52 77.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.455 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -72.7 -33.25 66.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.94 -43.81 86.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.69 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -66.77 -53.71 30.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.96 70.15 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.05 -37.97 61.54 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.199 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.2 tp -65.58 -47.99 73.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.724 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -53.58 -41.6 66.71 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.983 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -68.08 -26.53 65.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.39 -31.52 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.685 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 75.8 mmtt -66.95 -44.41 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.704 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -63.99 -37.68 88.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.63 -42.63 83.77 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.03 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -65.1 -49.5 69.75 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.941 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -54.04 -38.05 64.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.607 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.82 -7.19 59.28 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -49.78 -37.89 31.96 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.33 -34.92 61.25 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.681 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -67.58 -40.61 84.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.98 -33.94 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.747 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.07 -50.69 53.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.23 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -178.98 -161.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.797 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.22 -40.52 37.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 44' ' ' ALA . 12.3 ttp180 -171.65 122.45 0.52 Allowed 'General case' 0 N--CA 1.412 -2.349 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -64.32 -14.65 57.41 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.277 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' H ' ' HG2' ' A' ' 42' ' ' ARG . . . -53.19 -37.07 61.62 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.763 0.316 . . . . 0.0 111.087 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.23 -36.31 69.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -72.54 -39.72 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.473 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -62.96 -42.65 99.89 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -55.05 -50.94 67.85 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.417 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp 65.84 1.73 1.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 172.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.22 136.7 45.76 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 122.129 -0.357 . . . . 0.0 111.162 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -151.89 150.88 30.57 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.054 -178.399 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m 67.89 12.69 8.93 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.033 0.533 . . . . 0.0 111.463 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 t -80.24 59.79 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 6.5 pt-20 -146.65 -51.79 0.22 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.471 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -70.69 -29.54 65.87 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.62 -74.31 0.36 Allowed 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.417 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 p -151.77 102.55 2.86 Favored 'General case' 0 N--CA 1.414 -2.256 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 4' ' ' GLU . . . -81.82 -37.59 26.81 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 118.709 0.686 . . . . 0.0 109.353 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 p-10 -61.51 -36.35 80.27 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.805 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.25 67.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 44.1 tt0 -85.4 -23.16 28.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 0.0 109.323 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 13.8 mt -75.57 -45.57 37.0 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.32 -31.57 72.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.413 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.151 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.7 mt -70.5 -33.34 71.11 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.201 0.524 . . . . 0.0 109.772 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.5 -42.65 91.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -63.49 -42.0 98.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.114 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.25 -45.3 91.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.898 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.29 -46.96 72.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.621 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -54.81 -48.18 73.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.532 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.7 -44.33 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -72.17 -19.27 61.78 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.131 0.491 . . . . 0.0 110.639 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.01 18.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.084 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.84 -39.68 79.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.253 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.15 -37.4 69.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.541 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.13 -43.37 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -68.78 -35.32 76.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.421 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.85 -44.75 96.57 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.028 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.26 -47.35 77.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.101 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 t -44.26 -49.2 9.41 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.829 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -52.41 -47.36 66.33 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -62.03 -34.92 77.12 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.902 0.382 . . . . 0.0 110.816 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 70.9 m80 -74.94 -42.98 56.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.56 -9.11 31.78 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.522 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 68.6 t60 -90.65 -13.93 33.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 9.1 t70 -98.21 -23.04 15.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.262 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.9 mmtp -77.08 -22.76 52.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.154 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HB3' ' HG2' ' A' ' 42' ' ' ARG . 46.6 mmtm -79.3 68.71 5.37 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.264 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HA ' HD21 ' A' ' 45' ' ' LEU . 12.1 pt-20 -92.36 178.79 5.73 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.01 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 61.97 88.11 0.09 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.167 0.587 . . . . 0.0 111.894 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 65.16 80.68 0.22 Allowed 'General case' 0 C--N 1.366 1.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HG2' ' HB3' ' A' ' 38' ' ' LYS . 6.1 tpt180 -171.44 128.16 0.67 Allowed 'General case' 0 N--CA 1.409 -2.52 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -57.15 -22.21 38.47 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.721 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -54.0 -31.92 52.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 39' ' ' GLU . 96.2 mt -56.96 -14.91 4.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.463 0.705 . . . . 0.0 112.366 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -77.05 -35.13 57.05 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -96.49 -47.15 6.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.887 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 36' ' ' ASP . 12.8 tptp 53.7 -163.11 0.11 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.0 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 36' ' ' ASP . 28.1 tp -97.78 17.74 17.34 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.651 -0.656 . . . . 0.0 110.658 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.04 -44.76 1.04 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.744 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 69.43 123.72 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.26 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 t80 . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.015 -175.846 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 m -90.61 -41.51 11.3 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.581 0.229 . . . . 0.0 111.448 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.01 -9.49 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.135 0.493 . . . . 0.0 110.785 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.15 -67.83 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.307 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 67.0 mttm 63.52 23.69 13.74 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 95.9 mt 80.57 -21.98 0.3 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.28 1.032 . . . . 0.0 112.275 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 t -152.63 101.6 2.65 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-O 121.014 0.435 . . . . 0.0 109.936 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.25 -25.27 5.72 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.197 0.522 . . . . 0.0 109.857 172.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.25 -39.12 82.33 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.475 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.67 -25.11 67.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.539 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -81.58 -45.84 15.28 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.951 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.16 -28.18 69.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -76.97 -38.1 53.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.866 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -62.49 -37.39 85.81 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.71 -38.58 88.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.094 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.42 -38.04 86.56 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.798 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 71.2 m-20 -67.22 -48.16 68.67 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.223 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.35 -36.46 73.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.187 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -61.97 -41.81 98.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.088 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.46 -34.63 74.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 5.5 mm-40 -63.55 -40.49 97.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.993 0.425 . . . . 0.0 110.405 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 17.0 tp10 -72.64 -28.61 62.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.219 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' OE1' ' A' ' 26' ' ' GLU . . . -77.43 -21.75 52.54 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.171 0.51 . . . . 0.0 110.128 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.64 -46.81 62.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.3 mt -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.246 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.8 mt-10 -54.13 -56.11 21.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.489 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -65.81 -36.6 83.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.68 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.87 -48.92 79.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.94 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 34.8 mtmm -67.01 -22.38 65.9 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.187 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -78.76 -33.92 46.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 110.584 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.25 -52.2 6.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 6.1 mmp_? -60.75 -19.02 58.22 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.411 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.3 t60 -50.68 -33.6 23.3 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 123.393 0.677 . . . . 0.0 112.263 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -89.7 -9.92 47.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.658 0.742 . . . . 0.0 111.052 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 71.6 m80 -93.34 -7.37 44.98 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.493 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.76 -39.12 93.18 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.767 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.86 -25.84 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.28 -47.54 12.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -174.41 153.08 1.85 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.38 120.36 18.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.061 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -106.05 -1.34 23.97 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.558 0.617 . . . . 0.0 111.422 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -172.12 146.62 1.95 Allowed 'General case' 0 N--CA 1.406 -2.628 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -43.57 -43.99 5.9 Favored 'General case' 0 C--N 1.287 -2.136 0 O-C-N 123.885 0.741 . . . . 0.0 111.691 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -51.87 -38.94 57.98 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.56 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.67 -36.24 23.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.75 -39.8 92.87 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.055 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.54 -44.13 91.81 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.334 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 44' ' ' ALA . 34.5 mmtp -51.82 -48.5 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.119 175.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -66.02 -59.93 3.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.07 95.34 0.01 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.351 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -88.46 94.56 9.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.343 0.592 . . . . 0.0 111.203 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 C--N 1.31 -1.143 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.452 176.85 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.373 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.415 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 13.4 m -68.44 -48.57 64.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.698 0.285 . . . . 0.0 110.95 -178.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.52 -34.26 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 109.937 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.607 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -79.03 -49.51 12.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.627 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 2' ' ' SER . 91.1 mt -60.41 -30.5 69.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.272 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -145.96 100.46 3.4 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.534 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -77.57 -19.71 55.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.266 0.555 . . . . 0.0 110.067 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.36 -34.86 74.46 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.104 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.91 73.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.319 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -71.33 -38.31 71.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.0 mp -58.66 -44.77 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.591 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.5 -42.66 83.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.994 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -59.55 -44.42 93.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.99 -50.51 62.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.885 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -56.69 -45.97 81.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.57 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.77 -46.81 57.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.524 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.99 -49.67 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.896 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -64.01 -39.18 93.54 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.519 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.49 -40.04 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.237 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.4 -40.4 93.4 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.068 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -64.01 -49.38 72.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.794 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.5 -19.15 14.07 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.885 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.93 -47.04 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.94 -37.79 80.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.212 0.529 . . . . 0.0 109.639 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.77 -38.71 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.015 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HG2' HD22 ' A' ' 45' ' ' LEU . 67.6 mtt85 -78.17 -35.14 49.19 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.213 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.85 -47.43 85.08 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.259 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.37 -56.64 16.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.12 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -55.41 -46.91 76.58 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.717 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.69 -50.6 73.21 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.042 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -58.48 -43.14 88.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.578 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -74.14 -28.68 61.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.013 0.435 . . . . 0.0 110.704 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -85.32 -11.17 55.29 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.28 0.562 . . . . 0.0 110.069 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -65.82 -8.29 20.82 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.48 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -141.54 -51.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.164 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -123.04 105.54 10.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.284 0.564 . . . . 0.0 110.077 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.24 -35.93 63.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.032 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.03 60.83 1.25 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.941 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -157.7 90.6 1.09 Allowed 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -142.26 124.68 15.67 Favored 'General case' 0 N--CA 1.412 -2.329 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.95 -20.1 42.74 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.868 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.83 -36.26 64.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.353 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 HD22 ' HG2' ' A' ' 27' ' ' ARG . 68.5 mt -87.53 -15.69 36.79 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.005 0.431 . . . . 0.0 110.847 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -87.7 -23.58 24.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.697 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.51 -39.59 80.54 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.478 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' A' ' 51' ' ' ASP . 24.8 ttmm -140.25 154.85 47.0 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.46 -63.56 1.04 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.36 0.527 . . . . 0.0 110.763 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.65 -36.41 32.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.373 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 35.7 t70 47.78 92.31 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.124 0.89 . . . . 0.0 111.455 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 118.641 -0.695 . . . . 0.0 109.595 -176.513 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 t70 -62.66 -44.4 96.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.047 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.45 68.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.967 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.88 -42.51 33.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.061 0.457 . . . . 0.0 109.901 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pp -65.95 -27.6 68.29 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.035 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -70.28 -47.26 62.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.038 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.33 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.72 -38.94 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.23 -39.9 92.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.41 -31.04 53.79 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.6 -42.99 93.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.391 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -67.34 -35.19 78.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.375 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -56.13 -41.53 75.47 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.5 -30.87 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.8 tp10 -81.22 -30.76 34.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.41 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.82 -25.79 37.55 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.191 0.52 . . . . 0.0 109.604 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -70.33 -45.98 65.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.971 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.2 -33.61 73.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.745 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 31.7 mt-10 -57.67 -45.47 85.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.103 174.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -75.4 -36.16 60.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.02 -44.67 97.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -69.16 -18.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -79.73 -44.38 20.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.807 179.453 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.512 -0.485 0 CA-C-O 121.058 0.456 . . . . 0.0 110.082 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 13.7 t70 -56.96 -44.87 83.01 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -63.23 -33.56 75.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.78 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.08 -37.72 53.91 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.188 0.518 . . . . 0.0 109.99 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 8' ' ' ALA . 2.1 mp -61.66 -38.9 89.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.727 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.8 mm100 -59.15 -40.06 84.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.672 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 89.2 mtt-85 -60.04 -46.13 90.54 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.06 -49.94 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -58.89 -42.33 89.28 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.06 -50.67 18.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.895 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.75 -43.2 98.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.783 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -62.23 -33.21 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.752 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -71.31 -33.98 70.17 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.91 -43.14 75.82 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.656 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.32 -28.94 64.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.82 -16.41 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.74 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.2 -44.26 38.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.045 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.11 -37.2 81.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -60.02 -37.25 79.21 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.758 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -72.53 -31.2 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.88 -38.53 76.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.62 -56.92 14.59 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 p -58.52 -42.97 88.95 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.414 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.21 -1.026 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.404 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 120.89 0.376 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.9 -42.55 99.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.282 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.02 -48.99 31.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.96 -26.09 64.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.59 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.58 -59.3 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.092 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -68.22 -27.97 66.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.718 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 tp -66.29 -37.41 85.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.245 0.545 . . . . 0.0 110.204 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -82.82 -43.94 16.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.802 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -66.99 -43.42 83.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.916 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.52 -43.45 89.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -62.65 -46.76 86.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.328 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.8 -36.21 83.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.9 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.67 -38.39 86.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.171 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.03 -48.23 79.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.16 67.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.666 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.72 -48.46 71.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.61 -33.01 74.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.266 0.555 . . . . 0.0 110.185 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE2' ' HD2' ' A' ' 29' ' ' LYS . 9.5 tp10 -56.6 -40.04 74.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.282 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.8 -25.82 63.96 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.349 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.38 -29.64 68.39 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' OE2' ' A' ' 26' ' ' GLU . 95.5 mttt -65.18 -47.98 75.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -57.94 -34.58 70.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.597 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.447 -0.595 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 9.4 m-20 -61.55 -38.91 89.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.84 70.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.883 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.0 -23.85 59.5 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.406 0.622 . . . . 0.0 109.459 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.5 mt -80.96 -39.81 25.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.023 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 94.8 mt-30 -58.28 -44.2 88.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.355 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -59.35 -46.45 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.15 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.48 -44.48 89.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 67.0 mttm -57.28 -49.45 76.03 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.6 -46.09 89.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.37 -47.54 83.73 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.908 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -72.76 -29.17 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.695 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.46 -30.08 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.75 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -72.08 -53.77 11.83 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -47.04 -46.05 21.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 pt-20 -67.35 -42.76 82.99 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.503 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.12 -42.83 91.5 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.187 0.518 . . . . 0.0 110.012 176.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 44.1 tt0 -61.48 -29.85 70.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.514 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 99.6 mtt180 -80.67 -33.87 35.23 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.965 0.412 . . . . 0.0 110.075 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 85.6 mt -64.8 -33.76 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.188 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.65 -33.98 73.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.5 p -74.11 -29.26 61.75 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 31.9 mt-10 . . . . . 0 CA--C 1.516 -0.337 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.504 -0.792 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.66 -33.93 56.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.08 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.77 -40.78 60.93 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.689 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.68 -23.37 31.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.007 0.432 . . . . 0.0 110.727 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 8' ' ' ALA . 7.5 mp -69.45 -49.55 53.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.551 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.24 -29.17 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.621 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -78.23 -24.67 46.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -66.73 -39.05 87.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.88 -31.35 69.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.25 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.51 -45.46 79.46 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.485 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -55.08 -42.6 73.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.7 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -66.84 -40.51 87.98 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.935 0.398 . . . . 0.0 110.413 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -57.46 -45.43 84.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.037 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.0 mt-10 -76.93 -19.96 56.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.84 -35.82 43.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 109.877 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.36 -41.01 94.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.003 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.94 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 20.4 mm-40 -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.915 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -70.39 -24.25 62.91 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.146 0.498 . . . . 0.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -74.93 -24.6 58.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -85.33 -20.85 29.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.618 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -53.97 -50.35 66.72 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.53 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 120.893 0.378 . . . . 0.0 110.732 -179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.506 -0.72 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.1 -31.7 63.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.37 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.61 -50.54 60.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.773 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.92 -22.15 60.78 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.967 0.413 . . . . 0.0 110.906 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.4 mp -75.96 -44.79 38.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.693 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.86 -35.96 81.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.66 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -64.53 -46.28 83.58 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.994 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.23 -38.1 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.476 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -65.85 -37.14 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.481 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -76.97 -37.19 55.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.278 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.99 -38.0 89.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.827 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.93 -39.89 90.92 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -65.26 -32.62 74.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.901 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.48 -41.91 95.17 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.63 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.58 -19.43 62.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.811 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.97 -33.28 45.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.493 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.87 -42.91 80.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.233 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.56 -41.11 89.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.89 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -65.74 -37.47 86.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.414 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.75 -28.76 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.238 0.542 . . . . 0.0 109.637 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -74.56 -18.49 60.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.665 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -82.14 -20.56 37.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 . . . . . 0 C--O 1.215 -0.738 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.704 177.513 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.048 0.451 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 3.9 p-10 -63.6 -21.31 66.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.36 -17.4 58.26 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.378 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -86.18 -23.87 26.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.91 -40.28 24.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.203 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.62 -36.36 84.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.92 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.45 -31.16 65.21 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.88 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.58 -41.07 93.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 110.42 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -78.79 -33.37 46.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.415 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 7.8 t30 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.833 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.11 -37.22 81.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -66.01 -39.52 90.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -59.62 -42.33 92.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.187 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 6.4 mm-40 -69.56 -37.9 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.922 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.5 -42.78 98.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.72 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.415 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -53.6 49.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.724 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.14 -41.45 92.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.81 -49.74 70.27 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.328 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -75.12 -31.29 61.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.99 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.82 -44.91 94.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.261 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.63 -42.18 82.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.975 0.416 . . . . 0.0 110.3 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -60.06 -41.58 92.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.586 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.929 178.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.467 0.402 0 CA-C-O 120.983 0.42 . . . . 0.0 110.37 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.86 -33.56 73.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.36 72.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.347 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 9.7 tp10 -70.07 -42.82 72.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 8' ' ' ALA . 3.5 mp -57.32 -42.24 81.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.286 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.07 -46.79 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.83 -41.47 95.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.123 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 78.8 mt -61.34 -44.76 96.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.53 . . . . 0.0 110.935 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -72.4 -39.17 68.16 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.52 -35.2 80.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.976 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.77 -35.65 75.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.018 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.6 mmt180 -67.97 -29.84 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.903 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -59.39 -44.62 92.76 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.12 -31.48 71.96 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.043 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.64 -49.29 71.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.202 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.88 67.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.421 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -70.1 -52.11 26.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.31 -38.51 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.41 -46.13 87.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.661 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -65.18 -26.79 68.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.002 0.429 . . . . 0.0 110.166 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -81.46 -22.31 38.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.046 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -82.31 -47.47 12.33 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.859 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 C--O 1.223 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.347 179.553 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.513 -0.454 0 CA-C-O 120.941 0.401 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.45 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 12.0 p-10 -59.32 -36.59 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.433 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -59.37 -37.45 77.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.389 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -75.54 -18.97 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 109.876 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 13.8 mt -81.41 -35.89 30.17 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.91 -39.21 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.421 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 83.5 mtp180 -63.9 -37.99 89.44 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.07 -43.65 91.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.68 177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.67 -42.09 99.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.047 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -59.53 -41.09 89.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.46 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -45.72 72.46 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 2.5 mmp_? -53.9 -54.56 37.03 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.588 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -65.26 -35.82 82.21 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.256 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' GLU . 36.8 tt0 -63.5 -43.57 96.84 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.358 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.64 -48.34 77.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.876 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -32.57 62.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 17.1 tp10 -63.94 -56.61 13.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.26 -43.25 78.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.269 0.557 . . . . 0.0 110.682 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.64 -48.28 69.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.249 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -74.54 -34.07 62.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.77 -36.05 83.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -61.56 -48.76 79.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.301 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 m -61.95 -40.3 95.07 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.483 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.218 -0.559 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 17.5 m-20 -59.92 -39.71 86.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -32.51 72.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.82 -24.52 41.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.6 mt -70.96 -43.48 68.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.26 -26.6 68.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.182 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 8.3 tpm_? -78.55 -51.86 9.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.685 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.77 -42.5 97.77 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -54.69 -43.71 72.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -65.73 -49.83 67.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 6.9 mm-40 -60.28 -43.76 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -68.18 -40.72 82.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 52.6 t-80 -63.83 -48.31 77.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.714 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.17 -23.59 63.96 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.751 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.4 -43.07 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.371 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.699 0.285 . . . . 0.0 110.484 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 43.3 mm-40 -67.87 -33.5 74.87 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -71.51 -46.85 58.54 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.677 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -51.54 -44.04 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.706 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 27' ' ' ARG . 38.6 ttm105 -62.94 -34.25 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.547 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.08 -24.11 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.553 . . . . 0.0 109.764 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.57 -28.74 45.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -78.74 -53.59 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.319 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 110.828 -179.8 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.224 0.535 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.2 m-20 -63.68 -42.01 98.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.371 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . . . -61.01 -32.64 72.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.98 -46.16 58.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 0.0 110.15 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.12 -28.76 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.068 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.79 -48.06 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.876 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 29.0 mmm180 -62.36 -45.89 91.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.346 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.3 -40.78 71.49 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.659 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -77.97 -49.12 14.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.19 -46.02 86.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.075 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.98 -34.38 76.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 5.9 tpt180 -71.2 -28.8 64.48 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.112 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.18 -38.86 89.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.121 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.5 tp10 -69.58 -29.31 66.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.984 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.84 -20.56 45.75 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.09 -44.14 66.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.41 -38.8 85.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.332 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 39.9 mt-10 -69.66 -38.56 77.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.357 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.88 -31.47 72.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.447 0.641 . . . . 0.0 109.981 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.25 -21.67 45.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.839 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -87.74 -30.53 20.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.486 0.66 . . . . 0.0 109.287 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.3 t -76.57 -21.97 54.92 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.23 -175.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.174 0.511 . . . . 0.0 110.211 178.304 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.287 0 CA-C-O 121.004 0.43 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 8.2 m-20 -60.74 -40.64 93.17 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.858 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -55.27 -38.44 68.59 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.022 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -45.92 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 111.008 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.6 pp -63.83 -26.98 68.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.708 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.53 -39.71 67.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.718 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 80.3 mtp180 -64.94 -45.01 87.58 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.955 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.57 -29.86 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.71 -40.82 79.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.965 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -66.71 -45.35 79.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.138 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.01 -37.39 82.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -58.51 -49.52 77.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.455 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -72.7 -33.25 66.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.94 -43.81 86.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.69 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -66.77 -53.71 30.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.96 70.15 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.05 -37.97 61.54 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.199 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.2 tp -65.58 -47.99 73.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.724 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -53.58 -41.6 66.71 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.983 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -68.08 -26.53 65.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.39 -31.52 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.685 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 75.8 mmtt -66.95 -44.41 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.704 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -63.99 -37.68 88.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 . . . . . 0 C--O 1.233 0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.03 178.376 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.534 0.683 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 p-10 -61.51 -36.35 80.27 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.805 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.25 67.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 44.1 tt0 -85.4 -23.16 28.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 0.0 109.323 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 13.8 mt -75.57 -45.57 37.0 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.32 -31.57 72.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.413 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.151 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.7 mt -70.5 -33.34 71.11 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.201 0.524 . . . . 0.0 109.772 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.5 -42.65 91.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -63.49 -42.0 98.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.114 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.25 -45.3 91.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.898 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.29 -46.96 72.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.621 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -54.81 -48.18 73.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.532 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.7 -44.33 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -72.17 -19.27 61.78 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.131 0.491 . . . . 0.0 110.639 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.01 18.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.084 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.84 -39.68 79.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.253 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.15 -37.4 69.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.541 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.13 -43.37 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -68.78 -35.32 76.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.421 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.85 -44.75 96.57 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.028 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.26 -47.35 77.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.101 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 t -44.26 -49.2 9.41 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.829 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.514 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 CA-C-O 121.197 0.522 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.25 -39.12 82.33 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.475 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.67 -25.11 67.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.539 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -81.58 -45.84 15.28 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.951 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.16 -28.18 69.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -76.97 -38.1 53.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.866 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -62.49 -37.39 85.81 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.71 -38.58 88.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.094 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.42 -38.04 86.56 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.798 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 71.2 m-20 -67.22 -48.16 68.67 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.223 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.35 -36.46 73.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.187 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -61.97 -41.81 98.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.088 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.46 -34.63 74.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 5.5 mm-40 -63.55 -40.49 97.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.993 0.425 . . . . 0.0 110.405 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 17.0 tp10 -72.64 -28.61 62.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.219 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' OE1' ' A' ' 26' ' ' GLU . . . -77.43 -21.75 52.54 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.171 0.51 . . . . 0.0 110.128 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.64 -46.81 62.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.3 mt -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.246 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.8 mt-10 -54.13 -56.11 21.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.489 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -65.81 -36.6 83.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.68 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.87 -48.92 79.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.94 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 34.8 mtmm -67.01 -22.38 65.9 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.187 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -78.76 -33.92 46.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 110.584 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 C--N 1.322 -0.592 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 -179.71 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.534 ' O ' HD13 ' A' ' 12' ' ' LEU . . . . . . . . 0 CA--C 1.517 -0.289 0 CA-C-O 121.266 0.555 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.36 -34.86 74.46 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.104 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.91 73.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.319 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -71.33 -38.31 71.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.0 mp -58.66 -44.77 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.591 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.5 -42.66 83.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.994 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -59.55 -44.42 93.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.99 -50.51 62.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.885 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -56.69 -45.97 81.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.57 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.77 -46.81 57.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.524 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.99 -49.67 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.896 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -64.01 -39.18 93.54 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.519 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.49 -40.04 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.237 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.4 -40.4 93.4 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.068 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -64.01 -49.38 72.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.794 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.5 -19.15 14.07 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.885 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.93 -47.04 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.94 -37.79 80.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.212 0.529 . . . . 0.0 109.639 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.77 -38.71 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.015 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 -78.17 -35.14 49.19 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.213 178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.85 -47.43 85.08 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.259 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.37 -56.64 16.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.12 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -55.41 -46.91 76.58 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.717 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.221 -0.433 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.042 179.182 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.992 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -70.05 -24.9 63.32 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.68 0.276 . . . . 0.0 111.272 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -87.37 -27.73 5.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.937 0.399 . . . . 0.0 110.297 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 25.8 mm-40 -56.91 -60.11 4.06 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.51 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 59.8 mttm 58.06 51.11 9.14 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 55.0 mt 85.67 -50.87 0.08 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 124.491 1.116 . . . . 0.0 112.376 -177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 t -153.54 104.51 2.74 Favored 'General case' 0 N--CA 1.411 -2.414 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.619 -176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.461 ' HB2' ' HA ' ' A' ' 4' ' ' GLU . . . -86.93 -18.48 30.68 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 170.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.528 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.1 t70 -62.66 -44.4 96.35 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.047 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.87 -30.45 68.99 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.967 178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.88 -42.51 33.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.061 0.457 . . . . 0.0 109.901 -177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pp -65.95 -27.6 68.29 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.035 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -70.28 -47.26 62.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.038 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -61.33 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.72 -38.94 92.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.556 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.23 -39.9 92.02 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.825 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.41 -31.04 53.79 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.559 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.6 -42.99 93.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.391 177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -67.34 -35.19 78.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.375 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -56.13 -41.53 75.47 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.106 0.479 . . . . 0.0 110.391 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.5 -30.87 70.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 11.8 tp10 -81.22 -30.76 34.12 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.41 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.82 -25.79 37.55 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.191 0.52 . . . . 0.0 109.604 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -70.33 -45.98 65.1 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.971 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -61.2 -33.61 73.76 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.745 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 31.7 mt-10 -57.67 -45.47 85.55 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.103 174.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -75.4 -36.16 60.91 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.02 -44.67 97.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.357 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.542 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 38.2 mtmm -69.16 -18.77 63.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.1 t -79.73 -44.38 20.86 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.06 -54.18 12.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.807 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -64.3 -18.76 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.823 . . . . 0.0 112.175 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 t60 -50.78 -35.08 30.07 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 122.968 0.507 . . . . 0.0 111.94 -179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -89.91 -10.48 45.03 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.492 0.663 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -93.32 -12.16 30.71 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.989 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -67.17 -29.1 68.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.976 0.417 . . . . 0.0 110.8 -178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -72.35 -17.13 61.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 109.907 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.87 -43.67 6.33 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.753 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -156.38 153.67 29.31 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.412 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.39 74.14 4.93 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.896 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -47.21 -39.92 15.08 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -163.84 149.66 11.16 Favored 'General case' 0 N--CA 1.401 -2.91 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -176.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 46' ' ' GLU . 37.0 mtmm -47.22 -38.62 12.5 Favored 'General case' 0 C--N 1.282 -2.365 0 O-C-N 124.024 0.828 . . . . 0.0 112.985 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.68 -29.49 62.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.288 0.566 . . . . 0.0 111.157 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -91.63 -40.91 11.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.595 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 43' ' ' LYS . 30.7 tt0 -60.93 -32.96 72.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.024 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -63.14 -45.28 92.64 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.314 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -51.92 -43.46 63.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.096 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.69 -52.74 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.077 0.465 . . . . 0.0 109.937 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.59 77.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.756 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.61 101.18 1.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.273 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 . . . . . 0 C--N 1.314 -0.949 0 CA-C-O 118.425 -0.798 . . . . 0.0 110.287 179.098 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.433 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 37.6 m -62.58 -57.11 12.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.646 0.223 . . . . 0.0 111.227 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -63.23 -32.62 57.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.435 0 CA-C-O 121.11 0.481 . . . . 0.0 110.144 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -56.45 -46.23 80.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.069 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB3' ' HE2' ' A' ' 5' ' ' LYS . 36.0 ttpt -78.42 -32.26 48.59 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.426 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 2' ' ' SER . 95.1 mt -79.24 -31.79 43.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.085 -176.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 10' ' ' ALA . 35.0 m -148.28 100.65 3.18 Favored 'General case' 0 N--CA 1.417 -2.088 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.619 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -78.5 -19.02 53.93 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.058 0.456 . . . . 0.0 110.082 175.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 13.7 t70 -56.96 -44.87 83.01 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' H ' HG22 ' A' ' 7' ' ' THR . . . -63.23 -33.56 75.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.78 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -77.08 -37.72 53.91 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.188 0.518 . . . . 0.0 109.99 -178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.619 HD13 ' O ' ' A' ' 8' ' ' ALA . 2.1 mp -61.66 -38.9 89.45 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.727 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 9' ' ' ASP . 16.8 mm100 -59.15 -40.06 84.36 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.672 177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 89.2 mtt-85 -60.04 -46.13 90.54 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.994 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.06 -49.94 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -58.89 -42.33 89.28 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.384 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -74.06 -50.67 18.61 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.895 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -60.75 -43.2 98.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.783 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -62.23 -33.21 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.752 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -71.31 -33.98 70.17 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.91 -43.14 75.82 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.656 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.32 -28.94 64.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.917 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.82 -16.41 50.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.74 178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.2 -44.26 38.59 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.045 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.11 -37.2 81.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.867 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -60.02 -37.25 79.21 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.758 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' NH2' ' HB3' ' A' ' 51' ' ' ASP . 70.8 mtt85 -72.53 -31.2 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.488 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.7 tp -69.88 -38.53 76.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.327 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.62 -56.92 14.59 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 p -58.52 -42.97 88.95 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.414 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 35' ' ' HIS . 30.5 tt0 -60.42 -57.88 10.87 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -50.36 -34.05 22.64 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -81.97 -50.99 8.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -79.68 -12.42 59.81 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 40.6 t60 -57.06 -21.72 33.68 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 122.781 0.432 . . . . 0.0 111.109 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -69.62 -14.64 62.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -125.96 -48.13 1.63 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.093 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -132.57 113.64 13.31 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.938 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.74 -51.94 66.94 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -149.19 29.49 0.79 Allowed 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -108.78 75.04 0.94 Allowed 'General case' 0 N--CA 1.438 -1.026 0 CA-C-O 121.965 0.888 . . . . 0.0 109.925 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.2 mtm-85 -130.73 124.94 32.62 Favored 'General case' 0 N--CA 1.398 -3.037 0 CA-C-N 114.4 -1.273 . . . . 0.0 107.882 176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -69.43 -13.72 62.51 Favored 'General case' 0 C--N 1.262 -3.218 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.433 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.68 94.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.864 0.364 . . . . 0.0 110.76 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -90.12 -21.37 22.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.952 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.55 -37.6 42.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.173 0.511 . . . . 0.0 110.611 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -83.09 -29.16 28.97 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.597 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -117.93 90.88 3.43 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.908 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -62.5 -44.91 95.21 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.34 -63.17 1.11 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.117 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB3' ' NH2' ' A' ' 27' ' ' ARG . 33.4 t70 58.03 89.07 0.05 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.112 0.565 . . . . 0.0 111.934 177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.7 t80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.735 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.986 0 N-CA-C 112.026 -0.429 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -67.14 -18.43 65.29 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 122.658 0.383 . . . . 0.0 111.273 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.2 -29.79 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-O 120.981 0.42 . . . . 0.0 110.559 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 9.0 mm-40 -74.57 -18.76 60.53 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.023 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -78.48 -47.62 17.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.988 0.423 . . . . 0.0 110.152 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.42 -0.23 40.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.145 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.1 m -148.74 100.24 3.08 Favored 'General case' 0 N--CA 1.417 -2.085 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -159.89 -44.15 0.05 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.89 0.376 . . . . 0.0 110.05 178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.9 -42.55 99.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.282 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.02 -48.99 31.44 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 pp -68.96 -26.09 64.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.59 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -59.58 -59.3 5.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.092 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -68.22 -27.97 66.83 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.718 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.5 tp -66.29 -37.41 85.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.245 0.545 . . . . 0.0 110.204 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -82.82 -43.94 16.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.802 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -66.99 -43.42 83.01 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.916 -177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.52 -43.45 89.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.369 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -62.65 -46.76 86.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.328 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -64.8 -36.21 83.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.9 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -66.67 -38.39 86.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.171 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.03 -48.23 79.64 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.112 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.09 -32.16 67.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.666 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.72 -48.46 71.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.61 -33.01 74.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.266 0.555 . . . . 0.0 110.185 176.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE2' ' HD2' ' A' ' 29' ' ' LYS . 9.5 tp10 -56.6 -40.04 74.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.282 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -69.8 -25.82 63.96 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.349 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.38 -29.64 68.39 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' OE2' ' A' ' 26' ' ' GLU . 95.5 mttt -65.18 -47.98 75.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.3 m -57.94 -34.58 70.05 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.597 176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 36.5 tt0 -61.32 -43.48 98.8 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 11.1 mtp180 -57.83 -31.75 66.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.117 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -82.26 -13.09 57.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.313 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 1.2 m-20 -61.1 -17.05 50.57 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -70.94 -31.03 67.51 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.191 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -64.11 -31.59 72.85 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -88.08 -2.98 58.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.228 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -100.04 -46.96 5.16 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.996 -178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 41' ' ' GLU . 10.7 tp10 -159.25 134.93 8.6 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.703 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.03 15.12 4.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.971 0.415 . . . . 0.0 111.642 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 39' ' ' GLU . 31.0 tt0 -154.21 80.21 1.12 Allowed 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.378 0.608 . . . . 0.0 109.418 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.535 ' NE ' ' HA ' ' A' ' 42' ' ' ARG . 4.4 mmp_? -149.84 125.78 10.54 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -68.94 -12.11 61.32 Favored 'General case' 0 C--N 1.274 -2.708 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.758 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.55 -50.41 53.47 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.822 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.65 -45.61 93.42 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.644 0.259 . . . . 0.0 111.315 178.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.11 -44.94 94.49 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.43 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.08 -12.83 13.38 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.63 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -95.08 -56.03 2.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.6 177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.82 -28.93 70.2 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.998 0.427 . . . . 0.0 111.548 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.24 158.23 44.89 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.207 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -156.58 125.26 5.86 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.506 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.884 -177.763 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.176 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t -149.74 155.42 40.12 Favored 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.93 -3.59 10.11 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.1 71.21 0.57 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.183 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 59.04 23.13 11.25 Favored 'General case' 0 C--N 1.367 1.336 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.3 mt 63.54 31.54 14.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.627 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 63.8 m -146.88 100.74 3.35 Favored 'General case' 0 N--CA 1.416 -2.146 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -154.65 -46.66 0.09 Allowed 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 13' ' ' GLN . 9.4 m-20 -61.55 -38.91 89.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.84 70.46 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.883 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -74.0 -23.85 59.5 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.406 0.622 . . . . 0.0 109.459 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.5 mt -80.96 -39.81 25.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.023 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 94.8 mt-30 -58.28 -44.2 88.33 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.355 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -59.35 -46.45 88.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.15 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.48 -44.48 89.38 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.701 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 12' ' ' LEU . 67.0 mttm -57.28 -49.45 76.03 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.999 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -62.6 -46.09 89.9 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.37 -47.54 83.73 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.908 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -72.76 -29.17 63.09 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.695 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.99 -41.8 77.36 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -62.46 -30.08 70.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.75 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -72.08 -53.77 11.83 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -47.04 -46.05 21.86 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.617 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 11.9 pt-20 -67.35 -42.76 82.99 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 119.861 -0.735 . . . . 0.0 110.503 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.12 -42.83 91.5 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.187 0.518 . . . . 0.0 110.012 176.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 44.1 tt0 -61.48 -29.85 70.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.514 177.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.529 ' O ' ' HG3' ' A' ' 31' ' ' GLU . 99.6 mtt180 -80.67 -33.87 35.23 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.965 0.412 . . . . 0.0 110.075 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 85.6 mt -64.8 -33.76 76.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.188 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.567 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.65 -33.98 73.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.697 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . 2.5 p -74.11 -29.26 61.75 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.729 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 27' ' ' ARG . 31.9 mt-10 -65.61 -43.56 89.25 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -46.3 -47.17 18.39 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.346 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -74.85 -36.67 62.35 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.491 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -56.35 -44.42 80.08 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.731 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -76.63 -28.86 56.22 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.663 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.17 -27.45 62.59 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 39' ' ' GLU . 23.3 ttmm -137.18 73.44 1.45 Allowed 'General case' 0 N--CA 1.443 -0.779 0 CA-C-O 121.403 0.62 . . . . 0.0 109.872 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -67.76 29.49 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.324 177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' H ' ' C ' ' A' ' 37' ' ' LYS . 9.6 pt-20 -147.16 92.4 2.11 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.845 0.355 . . . . 0.0 110.576 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.88 161.04 0.22 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.233 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 56.66 81.11 0.14 Allowed 'General case' 0 C--N 1.36 1.058 0 CA-C-O 121.613 0.72 . . . . 0.0 109.445 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmm-85 -122.61 164.24 18.57 Favored 'General case' 0 N--CA 1.388 -3.536 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -173.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' CD ' ' HG2' ' A' ' 31' ' ' GLU . 61.2 pttt -53.42 -50.36 65.37 Favored 'General case' 0 C--N 1.269 -2.894 0 CA-C-N 114.192 -1.367 . . . . 0.0 113.515 -175.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.22 87.64 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.004 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.7 -15.93 62.22 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 30' ' ' SER . 31.3 tt0 -85.97 -43.99 12.73 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.004 0.431 . . . . 0.0 111.019 -176.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -89.79 -32.98 16.7 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.931 0.872 . . . . 0.0 108.865 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.0 tptt 64.43 64.09 0.72 Allowed 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 113.442 -1.708 . . . . 0.0 111.461 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.5 -46.57 72.52 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 121.093 0.473 . . . . 0.0 110.644 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.42 -161.44 1.33 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.109 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -74.44 -60.95 2.04 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 117.782 -1.104 . . . . 0.0 110.206 -179.68 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -103.78 -20.13 14.05 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 120.626 0.251 . . . . 0.0 110.889 178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.0 m -52.82 -37.18 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -75.01 -43.03 56.1 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.334 -0.547 . . . . 0.0 110.765 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 62.0 tttp 61.24 29.52 18.75 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.43 0.633 . . . . 0.0 110.198 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt 66.42 27.12 9.99 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.198 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.9 m -147.87 99.28 3.07 Favored 'General case' 0 N--CA 1.415 -2.196 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -99.1 -18.65 17.61 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 174.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -53.66 -33.93 56.91 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.08 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.77 -40.78 60.93 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.689 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -83.68 -23.37 31.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.007 0.432 . . . . 0.0 110.727 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' O ' ' A' ' 8' ' ' ALA . 7.5 mp -69.45 -49.55 53.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.551 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -65.24 -29.17 69.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.621 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -78.23 -24.67 46.87 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 tp -66.73 -39.05 87.83 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.88 -31.35 69.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.25 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -66.51 -45.46 79.46 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.485 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -55.08 -42.6 73.04 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.7 177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -66.84 -40.51 87.98 Favored 'General case' 0 C--O 1.216 -0.696 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.657 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -60.13 -41.93 93.72 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.935 0.398 . . . . 0.0 110.413 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -57.46 -45.43 84.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.037 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.0 mt-10 -76.93 -19.96 56.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.196 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 49' ' ' LEU . . . -78.84 -35.82 43.41 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 109.877 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -65.36 -41.01 94.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.003 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.71 -40.66 95.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.94 177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 20.4 mm-40 -65.35 -41.41 93.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.915 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -70.39 -24.25 62.91 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.146 0.498 . . . . 0.0 110.216 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -74.93 -24.6 58.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -85.33 -20.85 29.34 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.924 -1.034 . . . . 0.0 109.618 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -53.97 -50.35 66.72 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.53 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.53 -44.82 89.69 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.893 0.378 . . . . 0.0 110.732 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.5 ttp180 -66.62 -35.07 79.3 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.454 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -61.38 -46.16 91.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.039 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.23 -49.05 71.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.05 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -74.64 -15.3 60.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.841 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.17 -36.25 79.32 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.313 0.578 . . . . 0.0 110.231 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -108.29 3.85 23.95 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.348 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt 64.41 -58.93 0.22 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.081 1.353 . . . . 0.0 113.813 176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.6 -2.01 56.8 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 50.98 59.27 4.74 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.272 0.357 . . . . 0.0 110.159 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -46.38 -35.03 5.08 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -164.14 124.32 2.09 Favored 'General case' 0 N--CA 1.41 -2.433 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 27.2 mtpp -86.22 -12.91 48.42 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.553 178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.58 -16.46 2.43 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' HD23 ' A' ' 45' ' ' LEU . 6.0 tt -90.03 -30.65 17.6 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 -176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 43' ' ' LYS . 1.4 pp20? -84.66 -24.06 29.19 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -54.9 -45.38 74.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.391 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -54.61 119.82 5.82 Favored 'General case' 0 CA--C 1.561 1.388 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.594 176.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 76.2 mt -105.12 13.15 31.19 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 121.837 -0.54 . . . . 0.0 110.565 -177.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 49' ' ' LEU . . . 160.61 -95.09 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 O-C-N 124.605 1.191 . . . . 0.0 110.776 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 56.81 -164.0 0.16 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.215 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.851 179.589 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -95.55 23.1 6.34 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.648 0.261 . . . . 0.0 110.517 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 t 57.7 33.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -85.09 -19.07 32.44 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.188 -176.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -64.07 -23.86 67.48 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.763 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.4 tp -72.52 -40.53 66.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.144 0.497 . . . . 0.0 110.052 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 40.1 m -148.98 100.58 3.08 Favored 'General case' 0 N--CA 1.421 -1.922 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -69.7 -26.99 64.62 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -56.1 -31.7 63.5 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.37 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.61 -50.54 60.03 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.773 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -72.92 -22.15 60.78 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.967 0.413 . . . . 0.0 110.906 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.4 mp -75.96 -44.79 38.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.693 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.86 -35.96 81.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.66 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -64.53 -46.28 83.58 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.351 -0.386 . . . . 0.0 109.994 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 tp -66.23 -38.1 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.476 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -65.85 -37.14 85.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.481 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -76.97 -37.19 55.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.278 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -64.99 -38.0 89.52 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.827 178.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.93 -39.89 90.92 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -65.26 -32.62 74.37 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.901 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.48 -41.91 95.17 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.63 176.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -70.58 -19.43 62.86 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.811 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.97 -33.28 45.27 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.493 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -67.87 -42.91 80.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.233 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.56 -41.11 89.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.89 175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -65.74 -37.47 86.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.414 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -71.75 -28.76 63.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.887 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.41 -25.88 67.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.238 0.542 . . . . 0.0 109.637 176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -74.56 -18.49 60.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.665 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -82.14 -20.56 37.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -70.78 -56.88 5.37 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.704 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -58.76 -32.38 69.23 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.161 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -70.31 -13.71 62.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -56.38 -39.6 73.23 Favored 'General case' 0 C--O 1.21 -1.016 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.51 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -59.74 -24.77 64.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -90.38 -9.14 48.73 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -151.24 44.62 0.8 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -76.83 85.78 3.41 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.982 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' HG3' ' HB3' ' A' ' 41' ' ' GLU . 12.7 pt-20 -157.19 26.21 0.3 Allowed 'General case' 0 C--N 1.306 -1.317 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.364 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 60.03 37.55 21.12 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.315 -178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 37.5 tt0 -146.18 97.36 2.93 Favored 'General case' 0 N--CA 1.423 -1.806 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -124.66 128.96 49.63 Favored 'General case' 0 N--CA 1.404 -2.734 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -52.72 -23.49 6.82 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 114.109 -1.405 . . . . 0.0 112.813 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.17 60.12 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.592 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.16 -37.82 88.82 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.827 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -70.66 -56.49 6.32 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.221 0.534 . . . . 0.0 111.499 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -76.93 -19.55 57.25 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.733 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm 66.31 178.82 0.21 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 122.768 0.427 . . . . 0.0 110.434 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -88.96 -24.72 22.35 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-O 121.397 0.618 . . . . 0.0 109.594 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.39 143.9 25.11 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.56 2.42 13.96 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.6 0.715 . . . . 0.0 110.61 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.357 -179.482 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 111.97 -0.452 . . . . 0.0 111.97 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 59.98 38.1 21.02 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 122.843 0.457 . . . . 0.0 110.758 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.93 -61.66 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.767 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.63 -52.85 11.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.162 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 81.6 tttt 50.54 23.36 1.29 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.511 0.724 . . . . 0.0 112.71 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.0 mt 61.47 25.29 15.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.025 0.44 . . . . 0.0 110.966 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p -116.63 -174.02 2.49 Favored 'General case' 0 N--CA 1.389 -3.483 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 75.89 -19.87 0.38 Allowed 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 124.208 1.003 . . . . 0.0 111.642 -177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 3.9 p-10 -63.6 -21.31 66.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.36 -17.4 58.26 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.378 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -86.18 -23.87 26.35 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 14.8 mt -80.91 -40.28 24.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.203 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -64.62 -36.36 84.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.92 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -72.45 -31.16 65.21 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.88 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.58 -41.07 93.92 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 110.42 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -78.79 -33.37 46.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.415 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 7.8 t30 -69.6 -42.64 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.833 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.11 -37.22 81.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.747 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -66.01 -39.52 90.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -59.62 -42.33 92.43 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.187 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 6.4 mm-40 -69.56 -37.9 77.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.922 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.5 -42.78 98.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.864 177.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.7 -25.72 62.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.415 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.48 -53.6 49.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.724 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -60.14 -41.45 92.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.081 0.467 . . . . 0.0 110.209 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.81 -49.74 70.27 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.328 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -75.12 -31.29 61.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.99 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 51.1 tp -62.82 -44.91 94.9 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.261 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.63 -42.18 82.85 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.975 0.416 . . . . 0.0 110.3 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.9 m -60.06 -41.58 92.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.586 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.596 ' OE2' ' HD2' ' A' ' 32' ' ' ARG . 9.9 tm-20 -65.37 -53.22 46.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.929 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.596 ' HD2' ' OE2' ' A' ' 31' ' ' GLU . 14.2 mmm180 -53.11 -48.47 67.81 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.479 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -68.87 -32.11 71.54 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -75.62 -25.06 56.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.116 0.484 . . . . 0.0 110.847 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -93.73 -28.13 16.11 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.977 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -58.59 -25.98 63.16 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.013 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.43 -36.83 69.43 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.21 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -100.77 -56.86 2.23 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.618 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 175.18 151.27 0.11 Allowed 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.22 -179.23 6.61 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.238 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 59.46 85.71 0.1 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-O 121.751 0.786 . . . . 0.0 110.843 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 74.3 mmt-85 -142.49 141.94 32.2 Favored 'General case' 0 N--CA 1.4 -2.932 0 CA-C-N 114.833 -1.076 . . . . 0.0 108.7 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -54.5 -11.66 0.58 Allowed 'General case' 0 C--N 1.277 -2.577 0 CA-C-N 113.959 -1.473 . . . . 0.0 112.852 178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.44 -19.36 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.135 0.493 . . . . 0.0 110.057 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.75 -25.88 66.8 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.205 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -79.17 -21.02 47.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.254 0.549 . . . . 0.0 110.024 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 2.2 m-20 -78.12 -3.92 44.81 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.248 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -54.97 -38.3 67.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.187 176.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 tp -139.86 18.82 2.48 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.223 0.535 . . . . 0.0 110.544 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 47' ' ' ASP . . . -69.49 169.08 13.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.399 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 18.1 t70 -124.1 141.55 51.96 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 34.8 m-85 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.725 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.095 -0.402 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -85.22 -165.26 1.16 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.394 0.14 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.4 m -148.56 -41.55 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 C-N-CA 122.518 0.327 . . . . 0.0 110.418 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 22.3 mm-40 -132.82 -113.65 0.22 Allowed 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm 56.98 18.94 4.24 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 121.343 0.592 . . . . 0.0 110.741 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 4' ' ' GLU . 92.8 mt -128.74 -15.4 4.41 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.077 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.4 p -107.66 -172.05 1.99 Allowed 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -59.56 -12.58 6.77 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-O 120.983 0.42 . . . . 0.0 110.37 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.86 -33.56 73.27 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.97 -31.36 72.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.347 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 9.7 tp10 -70.07 -42.82 72.31 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 8' ' ' ALA . 3.5 mp -57.32 -42.24 81.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.286 178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.07 -46.79 87.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -64.83 -41.47 95.72 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.123 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 78.8 mt -61.34 -44.76 96.65 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.53 . . . . 0.0 110.935 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -72.4 -39.17 68.16 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.52 -35.2 80.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.976 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -59.77 -35.65 75.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.018 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 18.6 mmt180 -67.97 -29.84 68.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.903 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -59.39 -44.62 92.76 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.12 -31.48 71.96 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.043 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -64.64 -49.29 71.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.202 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.51 -23.88 67.19 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.421 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -70.1 -52.11 26.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.31 -38.51 90.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.41 -46.13 87.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.661 176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -65.18 -26.79 68.3 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.002 0.429 . . . . 0.0 110.166 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.3 tp -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.429 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -81.46 -22.31 38.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.046 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -82.31 -47.47 12.33 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.859 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -58.84 -48.78 80.15 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.347 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.14 -21.08 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.944 0.402 . . . . 0.0 111.52 -177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -83.3 -46.7 12.31 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 2.3 m-20 -89.54 -9.63 49.19 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -174.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -66.26 -28.83 69.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.306 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.63 -34.58 53.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 34' ' ' ASP . 13.6 ptmm? -103.55 31.57 4.31 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.318 -178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -82.06 -34.15 29.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.271 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -151.67 -81.71 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.764 0.316 . . . . 0.0 111.466 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 174.36 -14.56 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.673 0.789 . . . . 0.0 109.427 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -85.0 53.98 2.93 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.476 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -126.9 148.61 50.02 Favored 'General case' 0 N--CA 1.389 -3.493 0 CA-C-N 114.505 -1.225 . . . . 0.0 108.795 -176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -48.01 -25.33 1.35 Allowed 'General case' 0 C--N 1.276 -2.602 0 CA-C-N 113.749 -1.569 . . . . 0.0 113.622 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.45 83.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.61 0.719 . . . . 0.0 110.031 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.418 HD23 ' HB3' ' A' ' 52' ' ' TYR . 5.7 mp -89.98 -46.13 8.72 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.308 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -57.48 -28.2 63.18 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.965 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -51.17 -43.67 61.34 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 123.414 0.446 . . . . 0.0 111.386 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' H ' ' HG2' ' A' ' 48' ' ' LYS . 9.7 pttp -101.16 -45.35 5.4 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.653 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.4 tp 77.09 -39.7 0.33 Allowed 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.541 1.136 . . . . 0.0 111.119 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.71 133.48 38.31 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 48.27 93.59 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.794 0.684 . . . . 0.0 111.196 -173.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' HD23 ' A' ' 45' ' ' LEU . 65.8 m-85 . . . . . 0 C--O 1.251 1.18 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.561 -176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.044 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -156.69 112.03 2.88 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 122.667 0.387 . . . . 0.0 109.963 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -98.42 118.67 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 49.01 52.05 15.06 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.072 0.549 . . . . 0.0 112.016 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -82.08 6.63 15.71 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.564 0.697 . . . . 0.0 111.13 -176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp -93.6 -42.19 9.33 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.9 m -150.51 100.06 2.82 Favored 'General case' 0 N--CA 1.413 -2.321 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -130.05 -31.78 1.88 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.941 0.401 . . . . 0.0 110.305 173.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.45 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 12.0 p-10 -59.32 -36.59 75.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.433 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -59.37 -37.45 77.93 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.389 178.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -75.54 -18.97 59.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.234 0.54 . . . . 0.0 109.876 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 13.8 mt -81.41 -35.89 30.17 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.91 -39.21 90.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.421 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 83.5 mtp180 -63.9 -37.99 89.44 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.112 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.07 -43.65 91.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.68 177.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -62.67 -42.09 99.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.047 177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -59.53 -41.09 89.25 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.46 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -68.24 -45.72 72.46 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 19' ' ' ARG . 2.5 mmp_? -53.9 -54.56 37.03 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.588 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -65.26 -35.82 82.21 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.256 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' GLU . 36.8 tt0 -63.5 -43.57 96.84 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.972 0.415 . . . . 0.0 110.358 177.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -63.64 -48.34 77.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.876 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.51 -32.57 62.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.25 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 21' ' ' GLU . 17.1 tp10 -63.94 -56.61 13.98 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 mt -56.26 -43.25 78.54 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.269 0.557 . . . . 0.0 110.682 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.64 -48.28 69.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.249 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.6 ttm105 -74.54 -34.07 62.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.823 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 tp -64.77 -36.05 83.06 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -61.56 -48.76 79.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.301 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.3 m -61.95 -40.3 95.07 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.483 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.49 -61.45 2.33 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.036 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -51.78 -29.0 17.23 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.522 0.934 . . . . 0.0 113.522 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -67.45 -47.06 71.25 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -89.14 -33.63 17.0 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.928 0.394 . . . . 0.0 111.269 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -55.43 -25.69 37.65 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.467 0.707 . . . . 0.0 111.919 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.74 -27.23 68.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.112 0.482 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -109.19 -38.33 5.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.323 0.582 . . . . 0.0 109.531 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -99.35 92.73 5.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.337 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -54.65 132.39 45.31 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.41 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -169.85 -161.13 0.26 Allowed 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.268 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.62 ' HG3' ' H ' ' A' ' 42' ' ' ARG . 4.9 pt-20 -109.94 -86.05 0.53 Allowed 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.704 -179.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.62 ' H ' ' HG3' ' A' ' 41' ' ' GLU . 16.2 ttt180 -172.09 122.58 0.48 Allowed 'General case' 0 N--CA 1.418 -2.073 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -85.94 -22.72 27.27 Favored 'General case' 0 C--N 1.284 -2.252 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.737 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.53 77.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.439 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.41 -16.62 3.83 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.46 -31.25 20.11 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.345 0.593 . . . . 0.0 109.423 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.67 -21.62 19.26 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.56 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 59.6 tttm -91.7 11.85 23.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.565 0.697 . . . . 0.0 110.027 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.1 tp -154.89 -71.11 0.12 Allowed 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 76.15 35.23 0.48 Allowed 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.066 0.854 . . . . 0.0 110.413 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.94 -12.22 11.4 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.753 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.011 -0.995 . . . . 0.0 112.531 178.242 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -81.53 140.24 34.65 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.658 0.266 . . . . 0.0 110.523 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 p -140.34 -14.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.698 0.761 . . . . 0.0 109.613 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.665 ' O ' HG22 ' A' ' 7' ' ' THR . 50.6 mt-10 -96.43 -51.79 4.22 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.501 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 66.04 65.62 0.51 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.602 175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.8 mt 81.51 -14.94 0.76 Allowed 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 4' ' ' GLU . 14.6 t -93.44 106.52 18.48 Favored 'General case' 0 N--CA 1.403 -2.8 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . 90.36 -27.93 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.206 1.402 . . . . 0.0 109.484 -176.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 17.5 m-20 -59.92 -39.71 86.36 Favored 'General case' 0 CA--C 1.506 -0.732 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.61 -32.51 72.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.171 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -79.82 -24.52 41.32 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 16.6 mt -70.96 -43.48 68.04 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -64.26 -26.6 68.57 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.182 177.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.635 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 8.3 tpm_? -78.55 -51.86 9.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.685 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.5 tp -63.77 -42.5 97.77 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -54.69 -43.71 72.75 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.969 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -65.73 -49.83 67.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 6.9 mm-40 -60.28 -43.76 95.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 -177.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -68.18 -40.72 82.19 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.462 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.662 ' O ' ' HG2' ' A' ' 24' ' ' GLU . 52.6 t-80 -63.83 -48.31 77.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.714 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -69.17 -23.59 63.96 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.751 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -71.4 -43.07 67.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.371 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.26 -29.12 63.6 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.699 0.285 . . . . 0.0 110.484 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.662 ' HG2' ' O ' ' A' ' 20' ' ' HIS . 43.3 mm-40 -67.87 -33.5 74.87 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -71.51 -46.85 58.54 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.677 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -51.54 -44.04 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.706 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 27' ' ' ARG . 38.6 ttm105 -62.94 -34.25 77.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.547 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.08 -24.11 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.262 0.553 . . . . 0.0 109.764 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -78.57 -28.74 45.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.7 t -78.74 -53.59 6.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.319 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.74 -23.33 66.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.033 0.444 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 51' ' ' ASP . 52.0 ttp180 -68.26 -30.57 69.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.081 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -81.78 -20.96 38.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.621 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -68.03 -9.64 47.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.67 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' HA ' ' H ' ' A' ' 41' ' ' GLU . 1.4 p-80 -60.35 -30.62 69.65 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -65.95 -32.54 74.09 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.447 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -71.16 -12.88 61.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.64 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 70.03 22.01 5.91 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.168 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -89.58 -0.82 57.77 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.92 -68.41 0.4 Allowed 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.381 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' H ' ' HA ' ' A' ' 35' ' ' HIS . 30.4 tt0 55.55 79.28 0.16 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.288 0.635 . . . . 0.0 110.286 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -167.19 127.25 1.47 Allowed 'General case' 0 N--CA 1.411 -2.387 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.22 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mmtm -69.35 -12.79 61.96 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.123 176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -50.92 -46.98 61.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.795 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.1 -26.09 67.3 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -84.99 -42.88 14.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.348 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -62.87 -6.55 3.87 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 44' ' ' ALA . 46.2 mmtm -67.63 159.84 29.12 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.86 1.27 4.58 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.94 -72.5 0.1 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.611 0.243 . . . . 0.0 110.585 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 29.3 m-20 -146.74 147.36 30.86 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 C--N 1.306 -1.326 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.582 179.513 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.509 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 p -81.05 95.94 6.99 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.041 0.448 . . . . 0.0 110.483 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.0 m -72.92 -30.53 32.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.269 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 56.32 67.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.305 -0.862 . . . . 0.0 109.417 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -131.99 39.34 3.45 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.8 mt 67.52 28.19 7.66 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.367 0.603 . . . . 0.0 110.322 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 9' ' ' ASP . 6.1 t -139.48 154.1 47.66 Favored 'General case' 0 N--CA 1.383 -3.776 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.89 -36.29 0.31 Allowed 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.721 1.208 . . . . 0.0 110.575 -176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 17.2 m-20 -63.68 -42.01 98.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.371 178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . . . -61.01 -32.64 72.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.427 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -71.98 -46.16 58.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.941 0.4 . . . . 0.0 110.15 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 9' ' ' ASP . 4.6 pp -67.12 -28.76 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.068 178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.79 -48.06 64.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.679 -0.692 . . . . 0.0 109.876 176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 29.0 mmm180 -62.36 -45.89 91.13 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.346 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 tp -55.3 -40.78 71.49 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.659 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -77.97 -49.12 14.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.835 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -58.19 -46.02 86.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.075 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.98 -34.38 76.05 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 5.9 tpt180 -71.2 -28.8 64.48 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 120.041 -0.663 . . . . 0.0 111.112 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -66.18 -38.86 89.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.121 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -67.01 -35.76 80.64 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 14.5 tp10 -69.58 -29.31 66.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.984 179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.84 -20.56 45.75 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.09 -44.14 66.29 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.41 -38.8 85.19 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.332 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 39.9 mt-10 -69.66 -38.56 77.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.357 178.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -63.88 -31.47 72.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.447 0.641 . . . . 0.0 109.981 177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.25 -21.67 45.84 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.839 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -87.74 -30.53 20.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.486 0.66 . . . . 0.0 109.287 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 34' ' ' ASP . 21.3 t -76.57 -21.97 54.92 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.23 -175.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -66.82 -37.71 85.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.174 0.511 . . . . 0.0 110.211 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -83.84 -37.15 22.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.174 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -70.0 -15.22 62.99 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.382 0.611 . . . . 0.0 109.819 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 30' ' ' SER . 29.4 t70 -72.03 -13.25 61.55 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -61.97 -24.47 67.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.878 0.371 . . . . 0.0 110.346 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -87.46 -40.42 14.36 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HE2' ' O ' ' A' ' 39' ' ' GLU . 20.5 pttm -92.43 -30.5 15.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.758 -177.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.1 mttp 54.93 32.18 17.44 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.891 0.877 . . . . 0.0 112.744 176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.546 ' O ' ' HE2' ' A' ' 37' ' ' LYS . 40.5 tt0 -159.75 124.82 4.02 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.863 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 61.55 -164.93 0.23 Allowed 'General case' 0 CA--C 1.536 0.424 0 O-C-N 123.94 0.775 . . . . 0.0 112.215 177.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -116.01 -48.93 2.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.625 0.25 . . . . 0.0 110.974 -177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.484 HH12 ' CD ' ' A' ' 26' ' ' GLU . 44.3 mtt180 -169.89 126.19 0.84 Allowed 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 -176.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -76.98 -24.0 52.28 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.572 176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.58 -41.5 69.96 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.778 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 8.0 mp -70.6 -41.14 72.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.095 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -64.76 -36.86 85.67 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -81.19 -33.51 32.93 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -59.48 -54.1 50.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.625 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 45' ' ' LEU . 3.8 pp -72.55 5.04 3.29 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.28 176.67 4.92 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -143.73 127.76 17.49 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.573 179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.244 0.764 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.194 178.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.178 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -75.16 -25.44 58.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.939 0.399 . . . . 0.0 110.186 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.8 m -53.57 -40.06 40.2 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.139 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.15 -8.34 16.5 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -110.49 -42.48 4.09 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.086 0.47 . . . . 0.0 109.746 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 83.0 mt -65.77 -26.18 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.541 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.3 p -146.1 102.04 3.58 Favored 'General case' 0 N--CA 1.421 -1.919 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.07 -41.56 0.05 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.004 0.43 . . . . 0.0 110.048 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 8.2 m-20 -60.74 -40.64 93.17 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.858 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 14' ' ' ARG . . . -55.27 -38.44 68.59 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.022 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.99 -45.92 38.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 111.008 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 4.6 pp -63.83 -26.98 68.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.708 178.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -72.53 -39.71 67.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.718 177.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 10' ' ' ALA . 80.3 mtp180 -64.94 -45.01 87.58 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.955 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.57 -29.86 71.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.565 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -68.71 -40.82 79.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.965 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -66.71 -45.35 79.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.138 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.01 -37.39 82.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -58.51 -49.52 77.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.455 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -72.7 -33.25 66.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.94 -43.81 86.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.69 -177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -66.77 -53.71 30.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.601 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.36 -33.96 70.15 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.05 -37.97 61.54 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.199 -178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 50.2 tp -65.58 -47.99 73.85 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.724 176.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -53.58 -41.6 66.71 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.983 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -68.08 -26.53 65.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.144 0.497 . . . . 0.0 110.276 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -79.39 -31.52 42.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.685 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 75.8 mmtt -66.95 -44.41 80.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.704 177.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.2 m -63.99 -37.68 88.32 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.122 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.63 -42.63 83.77 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.03 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' O ' ' HD2' ' A' ' 35' ' ' HIS . 74.6 ttt180 -65.1 -49.5 69.75 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.941 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -54.04 -38.05 64.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.607 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.82 -7.19 59.28 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' HD2' ' O ' ' A' ' 32' ' ' ARG . 5.7 p80 -49.78 -37.89 31.96 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -75.33 -34.92 61.25 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.681 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -67.58 -40.61 84.85 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.98 -33.94 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.28 0.562 . . . . 0.0 109.747 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -68.07 -50.69 53.54 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.23 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -178.98 -161.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.797 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -78.22 -40.52 37.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 44' ' ' ALA . 12.3 ttp180 -171.65 122.45 0.52 Allowed 'General case' 0 N--CA 1.412 -2.349 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -64.32 -14.65 57.41 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.277 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' H ' ' HG2' ' A' ' 42' ' ' ARG . . . -53.19 -37.07 61.62 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.763 0.316 . . . . 0.0 111.087 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.23 -36.31 69.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -72.54 -39.72 67.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.473 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -62.96 -42.65 99.89 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -55.05 -50.94 67.85 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.417 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp 65.84 1.73 1.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 172.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.22 136.7 45.76 Favored 'General case' 0 C--N 1.315 -0.894 0 O-C-N 122.129 -0.357 . . . . 0.0 111.162 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -151.89 150.88 30.57 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.054 -178.399 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 m 67.89 12.69 8.93 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 123.033 0.533 . . . . 0.0 111.463 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.4 t -80.24 59.79 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 6.5 pt-20 -146.65 -51.79 0.22 Allowed 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.471 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -70.69 -29.54 65.87 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.62 -74.31 0.36 Allowed 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.417 178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.1 p -151.77 102.55 2.86 Favored 'General case' 0 N--CA 1.414 -2.256 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 -178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 4' ' ' GLU . . . -81.82 -37.59 26.81 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 118.709 0.686 . . . . 0.0 109.353 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 6.3 p-10 -61.51 -36.35 80.27 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.805 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -27.25 67.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.892 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 44.1 tt0 -85.4 -23.16 28.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.563 0.697 . . . . 0.0 109.323 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 9' ' ' ASP . 13.8 mt -75.57 -45.57 37.0 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -66.32 -31.57 72.45 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.413 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.151 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 11' ' ' GLU . 80.7 mt -70.5 -33.34 71.11 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.201 0.524 . . . . 0.0 109.772 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.5 -42.65 91.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -63.49 -42.0 98.54 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.114 177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -59.25 -45.3 91.55 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.898 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.29 -46.96 72.02 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.621 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -54.81 -48.18 73.1 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.532 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.7 -44.33 96.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -72.17 -19.27 61.78 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.131 0.491 . . . . 0.0 110.639 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.2 -46.01 18.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.084 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -68.84 -39.68 79.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.253 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.9 tp -56.15 -37.4 69.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.541 176.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.13 -43.37 95.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.446 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -68.78 -35.32 76.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.421 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 tp -60.85 -44.75 96.57 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.028 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.26 -47.35 77.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.101 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.2 t -44.26 -49.2 9.41 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.829 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -52.41 -47.36 66.33 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -62.03 -34.92 77.12 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.902 0.382 . . . . 0.0 110.816 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 70.9 m80 -74.94 -42.98 56.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -66.56 -9.11 31.78 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.522 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 68.6 t60 -90.65 -13.93 33.3 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.579 ' OD1' ' HG3' ' A' ' 48' ' ' LYS . 9.1 t70 -98.21 -23.04 15.85 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.262 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 33' ' ' HIS . 33.9 mmtp -77.08 -22.76 52.32 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.154 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' HB3' ' HG2' ' A' ' 42' ' ' ARG . 46.6 mmtm -79.3 68.71 5.37 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.264 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HA ' HD21 ' A' ' 45' ' ' LEU . 12.1 pt-20 -92.36 178.79 5.73 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.01 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 61.97 88.11 0.09 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.167 0.587 . . . . 0.0 111.894 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 65.16 80.68 0.22 Allowed 'General case' 0 C--N 1.366 1.305 0 CA-C-O 121.168 0.509 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' HG2' ' HB3' ' A' ' 38' ' ' LYS . 6.1 tpt180 -171.44 128.16 0.67 Allowed 'General case' 0 N--CA 1.409 -2.52 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -57.15 -22.21 38.47 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.721 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.536 ' HB1' ' O ' ' A' ' 35' ' ' HIS . . . -54.0 -31.92 52.51 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 39' ' ' GLU . 96.2 mt -56.96 -14.91 4.0 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.463 0.705 . . . . 0.0 112.366 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -77.05 -35.13 57.05 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 -178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -96.49 -47.15 6.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.887 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HG3' ' OD1' ' A' ' 36' ' ' ASP . 12.8 tptp 53.7 -163.11 0.11 Allowed 'General case' 0 CA--C 1.561 1.398 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.0 -176.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 36' ' ' ASP . 28.1 tp -97.78 17.74 17.34 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.651 -0.656 . . . . 0.0 110.658 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.04 -44.76 1.04 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.744 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 69.43 123.72 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.807 0.692 . . . . 0.0 110.26 -177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.7 t80 . . . . . 0 C--N 1.314 -0.967 0 CA-C-O 117.897 -1.049 . . . . 0.0 110.015 -175.846 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 m -90.61 -41.51 11.3 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.581 0.229 . . . . 0.0 111.448 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.01 -9.49 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 121.135 0.493 . . . . 0.0 110.785 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -66.15 -67.83 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.307 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 67.0 mttm 63.52 23.69 13.74 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' LYS . 95.9 mt 80.57 -21.98 0.3 Allowed 'General case' 0 C--N 1.35 0.588 0 C-N-CA 124.28 1.032 . . . . 0.0 112.275 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 t -152.63 101.6 2.65 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-O 121.014 0.435 . . . . 0.0 109.936 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -120.25 -25.27 5.72 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.197 0.522 . . . . 0.0 109.857 172.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.25 -39.12 82.33 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.475 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.67 -25.11 67.19 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.539 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -81.58 -45.84 15.28 Favored 'General case' 0 CA--C 1.517 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 109.951 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.16 -28.18 69.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.507 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -76.97 -38.1 53.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.866 176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -62.49 -37.39 85.81 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 176.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.8 tp -61.71 -38.58 88.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.094 177.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -66.42 -38.04 86.56 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.798 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 71.2 m-20 -67.22 -48.16 68.67 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.223 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.35 -36.46 73.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.187 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -61.97 -41.81 98.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.088 179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.46 -34.63 74.66 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' ASN . 5.5 mm-40 -63.55 -40.49 97.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.993 0.425 . . . . 0.0 110.405 178.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 17.0 tp10 -72.64 -28.61 62.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.219 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' OE1' ' A' ' 26' ' ' GLU . . . -77.43 -21.75 52.54 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.171 0.51 . . . . 0.0 110.128 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -70.64 -46.81 62.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 63.3 mt -61.02 -38.23 85.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.246 177.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.8 mt-10 -54.13 -56.11 21.25 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.489 175.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -65.81 -36.6 83.97 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.68 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.87 -48.92 79.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.94 -178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 34.8 mtmm -67.01 -22.38 65.9 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.187 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.3 t -78.76 -33.92 46.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 110.584 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -85.25 -52.2 6.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.649 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 6.1 mmp_? -60.75 -19.02 58.22 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.411 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 4.3 t60 -50.68 -33.6 23.3 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 123.393 0.677 . . . . 0.0 112.263 -179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -89.7 -9.92 47.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 121.658 0.742 . . . . 0.0 111.052 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 71.6 m80 -93.34 -7.37 44.98 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.493 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -62.76 -39.12 93.18 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.767 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.86 -25.84 66.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -82.28 -47.54 12.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -174.41 153.08 1.85 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.999 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.38 120.36 18.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.061 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -106.05 -1.34 23.97 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.558 0.617 . . . . 0.0 111.422 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -172.12 146.62 1.95 Allowed 'General case' 0 N--CA 1.406 -2.628 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -43.57 -43.99 5.9 Favored 'General case' 0 C--N 1.287 -2.136 0 O-C-N 123.885 0.741 . . . . 0.0 111.691 177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 48' ' ' LYS . . . -51.87 -38.94 57.98 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.56 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.67 -36.24 23.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.947 0.403 . . . . 0.0 110.405 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.75 -39.8 92.87 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.055 178.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.54 -44.13 91.81 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.334 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 44' ' ' ALA . 34.5 mmtp -51.82 -48.5 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.119 175.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.9 mt -66.02 -59.93 3.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.07 95.34 0.01 OUTLIER 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.197 -0.91 . . . . 0.0 112.351 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -88.46 94.56 9.9 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.343 0.592 . . . . 0.0 111.203 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 . . . . . 0 C--N 1.31 -1.143 0 CA-C-O 118.21 -0.9 . . . . 0.0 109.452 176.85 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.373 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.415 ' O ' ' HG ' ' A' ' 6' ' ' LEU . 13.4 m -68.44 -48.57 64.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.698 0.285 . . . . 0.0 110.95 -178.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.52 -34.26 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.068 0.461 . . . . 0.0 109.937 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -59.82 -41.23 90.85 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.607 179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -79.03 -49.51 12.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.627 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 2' ' ' SER . 91.1 mt -60.41 -30.5 69.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.272 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 m -145.96 100.46 3.4 Favored 'General case' 0 N--CA 1.415 -2.209 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.534 ' O ' HD13 ' A' ' 12' ' ' LEU . . . -77.57 -19.71 55.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.266 0.555 . . . . 0.0 110.067 176.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.36 -34.86 74.46 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.104 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.91 73.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.319 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -71.33 -38.31 71.67 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 8' ' ' ALA . 6.0 mp -58.66 -44.77 90.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.591 176.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.5 -42.66 83.19 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.994 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -59.55 -44.42 93.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 110.643 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.99 -50.51 62.03 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.885 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -56.69 -45.97 81.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.57 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -71.77 -46.81 57.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.524 -177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.99 -49.67 75.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.896 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 ptt180 -64.01 -39.18 93.54 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.519 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -61.49 -40.04 93.15 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.237 176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.4 -40.4 93.4 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.068 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -64.01 -49.38 72.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.794 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.5 -19.15 14.07 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.885 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.93 -47.04 15.67 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.94 -37.79 80.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.212 0.529 . . . . 0.0 109.639 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.77 -38.71 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.015 176.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HG2' HD22 ' A' ' 45' ' ' LEU . 67.6 mtt85 -78.17 -35.14 49.19 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.213 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.0 tp -61.85 -47.43 85.08 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.259 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.37 -56.64 16.37 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.12 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -55.41 -46.91 76.58 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.717 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.69 -50.6 73.21 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.042 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.8 ttm-85 -58.48 -43.14 88.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.578 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -74.14 -28.68 61.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.013 0.435 . . . . 0.0 110.704 -178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -85.32 -11.17 55.29 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.28 0.562 . . . . 0.0 110.069 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -65.82 -8.29 20.82 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.48 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -77.16 -10.85 59.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.714 177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -141.54 -51.47 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.164 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -123.04 105.54 10.04 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.284 0.564 . . . . 0.0 110.077 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.24 -35.93 63.87 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.032 -177.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.03 60.83 1.25 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.941 -177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -157.7 90.6 1.09 Allowed 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 mtm-85 -142.26 124.68 15.67 Favored 'General case' 0 N--CA 1.412 -2.329 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -80.95 -20.1 42.74 Favored 'General case' 0 C--N 1.266 -3.03 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.868 179.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.83 -36.26 64.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.353 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 HD22 ' HG2' ' A' ' 27' ' ' ARG . 68.5 mt -87.53 -15.69 36.79 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.005 0.431 . . . . 0.0 110.847 -177.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -87.7 -23.58 24.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.697 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -58.51 -39.59 80.54 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.478 -177.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HD2' ' HA ' ' A' ' 51' ' ' ASP . 24.8 ttmm -140.25 154.85 47.0 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -177.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.46 -63.56 1.04 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-N 118.36 0.527 . . . . 0.0 110.763 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.65 -36.41 32.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.373 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 35.7 t70 47.78 92.31 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.124 0.89 . . . . 0.0 111.455 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.31 -1.117 0 CA-C-O 118.641 -0.695 . . . . 0.0 109.595 -176.513 . . . . . . . . 0 0 . 1 stop_ save_