data_2l99_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l99 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.026 0.441 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -99.9 114.8 28.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.49 84.67 7.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.589 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -68.21 -9.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.495 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.677 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.8 pt? -77.3 -0.26 24.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 111.007 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -19.42 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.695 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -98.91 9.27 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.506 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.2 -51.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.564 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.649 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 46.0 mmtm -94.83 -55.57 0.22 Allowed Pre-proline 0 CA--C 1.536 0.404 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.649 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 35.2 Cg_exo -61.37 -29.75 86.18 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.094 1.862 . . . . 0.0 112.421 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.58 -4.95 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -115.41 5.62 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.833 0.825 . . . . 0.0 109.676 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -138.46 85.29 2.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.585 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 18.7 m-90 -78.13 -8.13 57.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -61.36 -42.29 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.166 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . 0.52 ' O ' ' HE2' ' X' ' 20' ' ' LYS . . . -96.94 4.86 51.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.877 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.585 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 54.0 tp -105.34 -46.78 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.53 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.421 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.57 -16.01 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.371 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.52 ' HE2' ' O ' ' X' ' 16' ' ' ALA . 23.2 ttmm -79.9 -34.83 38.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 82.4 mt -67.68 -28.05 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.427 173.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.61 66.14 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.708 0.766 . . . . 0.0 109.035 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 tttm . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.927 -174.365 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.354 0.121 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 50.39 73.99 0.24 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.457 0.473 . . . . 0.0 111.962 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . 0.577 ' HA ' ' HB2' ' X' ' 6' ' ' ALA . 9.6 mp 65.31 33.11 9.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.726 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -82.48 -52.79 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.12 5.51 22.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.594 0.711 . . . . 0.0 109.835 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' X' ' 3' ' ' LEU . . . -65.99 -33.35 75.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.635 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -84.64 17.66 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.997 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.24 -11.99 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.09 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.632 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 58.7 mttp -81.31 -54.63 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.298 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 84.2 Cg_endo -84.54 -9.74 8.99 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.822 1.681 . . . . 0.0 111.741 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.64 -28.37 0.19 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.809 0.844 . . . . 0.0 112.237 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' X' ' 10' ' ' PRO . 98.9 mt -93.08 -154.77 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' X' ' 14' ' ' TRP . 3.8 mm? -75.83 11.79 1.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.427 ' HA ' ' HG3' ' X' ' 10' ' ' PRO . 72.1 t90 84.13 -50.93 0.12 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.939 0.895 . . . . 0.0 109.337 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -87.8 -7.69 56.94 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.932 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.1 -23.93 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.066 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.65 -13.31 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.193 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.12 -51.19 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.065 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.653 ' HA ' ' HB3' ' X' ' 22' ' ' LYS . 1.3 pp -77.38 9.8 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.686 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -85.14 -38.2 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -87.67 -21.24 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.043 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.653 ' HB3' ' HA ' ' X' ' 19' ' ' LEU . 59.6 tptt -73.05 123.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.959 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.338 178.624 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 25.9 tttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -117.82 109.58 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt 68.52 -11.33 0.41 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 165.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.35 -27.98 67.58 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.04 -0.413 . . . . 0.0 111.394 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . 0.712 ' HG ' ' HB2' ' X' ' 9' ' ' LYS . 24.0 tp -76.87 -2.32 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.734 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -15.49 61.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.101 0.477 . . . . 0.0 110.78 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.23 14.59 25.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.939 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.73 6.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.719 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 38.9 ttpt -123.86 -54.64 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.932 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 16.1 Cg_exo -69.91 -47.68 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.673 1.582 . . . . 0.0 110.611 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.34 -81.51 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -175.51 134.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.764 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt 53.32 36.56 23.13 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.527 0.517 . . . . 0.0 111.062 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -77.05 -20.25 56.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.54 -36.53 80.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.92 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.53 -10.97 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -91.18 -32.26 15.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' X' ' 22' ' ' LYS . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.659 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.46 -23.78 66.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.22 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -84.05 -23.76 30.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.406 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.91 -9.58 55.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.617 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' X' ' 18' ' ' ALA . 61.9 mttm -77.77 67.8 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.234 0.54 . . . . 0.0 110.63 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.2 mttt . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.036 -179.375 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 53.44 43.63 31.06 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.511 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.57 75.55 8.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.031 0.443 . . . . 0.0 110.977 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 64.96 29.87 12.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.699 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp 63.86 94.6 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.35 0.595 . . . . 0.0 111.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.44 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.212 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.5 tp -101.8 108.97 20.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.57 -0.4 3.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.503 0.721 . . . . 0.0 111.723 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.755 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 61.4 tttt -78.89 -55.58 0.95 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.944 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 5.9 Cg_exo -78.59 -26.02 6.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.031 1.821 . . . . 0.0 112.609 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.83 -16.16 45.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.085 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.04 132.12 39.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.952 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 8.0 mp 61.65 39.93 13.86 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.351 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -78.52 -22.85 46.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.52 18.7 8.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.935 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . 0.526 ' HB3' ' HB3' ' X' ' 13' ' ' LEU . . . -121.66 -48.18 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.023 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 3.2 pp -88.71 -6.35 57.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -175.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.4 -36.82 4.19 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.146 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' X' ' 23' ' ' LYS . 34.9 tp -75.49 -15.67 60.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.227 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -88.82 -9.24 52.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.41 -40.56 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -121.87 83.44 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.433 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 44.9 mttp . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.086 0.47 . . . . 0.0 111.42 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . 0.481 ' HZ2' ' HB2' ' X' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' X' ' 1' ' ' LYS . 31.8 mmtp 69.79 -71.89 0.12 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.552 0.532 . . . . 0.0 110.466 -172.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.0 103.84 5.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -76.95 -68.2 0.63 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.33 109.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.286 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.69 -45.45 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' X' ' 17' ' ' LEU . 99.2 mt -79.99 68.36 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.266 0.555 . . . . 0.0 110.159 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.52 -48.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.706 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.444 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 29.4 mmmt -59.31 -53.72 63.34 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.198 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 94.6 Cg_endo -79.73 -3.3 12.77 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.312 1.342 . . . . 0.0 113.305 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.14 22.86 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.321 0.581 . . . . 0.0 110.752 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 tp -81.66 114.91 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.984 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 90.1 mt 60.97 29.45 19.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.196 177.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.424 ' HA ' HD12 ' X' ' 17' ' ' LEU . 4.6 t90 -73.63 -30.02 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.41 -21.39 64.68 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.676 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.86 -6.45 24.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 92.4 mt -84.34 -0.84 54.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.34 0.59 . . . . 0.0 110.073 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -16.41 63.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.207 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -116.02 33.92 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.992 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.413 ' HG3' ' HG ' ' X' ' 21' ' ' LEU . 62.1 pttt -64.33 -32.34 73.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.559 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.413 ' HG ' ' HG3' ' X' ' 20' ' ' LYS . 89.8 mt -104.9 -18.41 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.404 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 60.04 32.48 21.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttm . . . . . 0 C--O 1.232 0.175 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -173.479 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -109.58 131.25 55.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.212 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp 68.37 115.73 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.783 0.677 . . . . 0.0 111.231 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -108.34 101.92 11.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.26 64.7 2.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.306 0.574 . . . . 0.0 111.484 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.33 -18.09 2.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.75 61.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.051 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.45 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.793 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.544 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 23.2 ttmm -56.1 -51.27 81.99 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 50.2 Cg_exo -55.16 -24.59 41.91 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.297 1.998 . . . . 0.0 113.106 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.91 -46.37 5.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.3 97.06 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' X' ' 17' ' ' LEU . 29.0 tp 61.12 64.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.456 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -120.75 -55.01 2.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.767 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -64.31 -49.22 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.343 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -16.89 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.624 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.607 ' HB2' ' HG ' ' X' ' 13' ' ' LEU . 48.3 tp -84.32 -29.11 26.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.149 0.499 . . . . 0.0 109.761 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' X' ' 22' ' ' LYS . . . -66.97 -16.22 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.563 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 pp -105.97 -30.03 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.626 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -69.97 -58.76 3.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.997 0.427 . . . . 0.0 110.983 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.498 HD12 HD13 ' X' ' 17' ' ' LEU . 83.5 mt -108.51 17.41 22.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.433 ' HB3' ' H ' ' X' ' 23' ' ' LYS . 61.4 mttp 58.81 -154.82 0.36 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.487 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . 0.433 ' H ' ' HB3' ' X' ' 22' ' ' LYS . 44.5 tptt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.585 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' X' ' 2' ' ' LYS . 59.7 tptt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.765 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . 0.412 ' HD2' ' HB3' ' X' ' 1' ' ' LYS . 9.0 mptt -78.81 -28.38 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.128 -174.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.14 -27.8 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -95.05 9.18 40.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.68 -2.96 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.104 0.478 . . . . 0.0 110.576 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . 0.522 ' O ' ' HD2' ' X' ' 10' ' ' PRO . . . -69.61 -41.3 75.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.476 -175.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 23.6 tp -85.54 25.6 1.03 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.35 0.595 . . . . 0.0 110.453 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.96 -60.46 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.648 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.786 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 37.6 ttmt -75.33 -55.96 2.03 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -173.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 17.3 Cg_exo -69.48 -20.61 35.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.803 1.669 . . . . 0.0 112.218 176.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.41 1.97 2.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.426 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.23 -172.08 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.56 -58.3 8.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.699 0.285 . . . . 0.0 110.262 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -163.9 27.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 110.392 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -99.83 53.03 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.224 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.57 -52.7 2.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.685 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.05 8.92 40.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.047 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.5 70.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.513 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.21 -46.96 87.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -90.51 -16.09 29.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 110.373 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.95 -34.94 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -95.05 36.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.645 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.086 178.365 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.546 0.213 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -66.76 -56.66 9.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.383 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.27 100.16 9.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -82.17 45.2 0.91 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.04 -1.57 48.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 -174.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.76 -2.2 57.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.383 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -71.63 88.62 0.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.67 -15.45 0.63 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.241 -0.89 . . . . 0.0 113.272 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 86.6 tttt -70.63 -59.84 3.52 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.93 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.869 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 3.2 Cg_exo -82.78 -1.51 10.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.289 1.992 . . . . 0.0 112.032 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.14 32.43 17.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.755 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.17 114.29 27.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.105 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' X' ' 18' ' ' ALA . 87.0 mt 58.96 40.63 22.21 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.083 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -74.58 -73.38 0.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -141.99 -79.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.896 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.13 -2.66 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.489 0.661 . . . . 0.0 110.474 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.63 28.45 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.866 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.434 ' HA ' HD21 ' X' ' 13' ' ' LEU . . . -90.91 -30.45 16.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.723 174.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.75 -54.62 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.519 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 57.01 49.54 13.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.505 0.669 . . . . 0.0 110.402 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt 64.4 5.74 2.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -112.55 85.79 2.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.276 -177.608 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.656 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -89.97 87.77 7.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' X' ' 3' ' ' LEU . 1.7 pt? -136.72 97.11 3.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.383 0.611 . . . . 0.0 110.391 175.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -132.43 54.54 1.94 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.584 0.706 . . . . 0.0 109.556 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -151.97 87.2 1.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.529 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.82 -17.75 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.059 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt -84.2 49.76 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.73 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.25 -50.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.612 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.55 -52.29 73.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.62 9.64 2.85 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.549 1.499 . . . . 0.0 112.461 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.62 39.95 17.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.142 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt 70.51 164.27 0.27 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.345 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.552 ' HB2' ' HZ2' ' X' ' 20' ' ' LYS . 6.9 mp 58.58 72.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.509 0.671 . . . . 0.0 109.446 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -93.09 0.25 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.669 -172.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -104.37 -40.82 5.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.652 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.45 66.69 8.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.789 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.604 ' HA ' ' HB3' ' X' ' 20' ' ' LYS . 83.0 mt -104.44 20.23 18.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.505 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 -52.37 50.37 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.952 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.22 11.04 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.227 0.537 . . . . 0.0 110.049 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.604 ' HB3' ' HA ' ' X' ' 17' ' ' LEU . 38.3 ttmt -93.59 -31.52 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.56 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.0 tp -87.81 -32.52 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -87.01 102.73 14.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.633 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.383 -175.794 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.651 0.262 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.36 -74.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.377 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.24 110.95 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.372 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -130.63 33.29 4.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.89 -10.41 59.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.03 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.57 -13.96 62.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.183 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -106.88 8.2 30.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.598 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.93 -46.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.383 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.54 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 39.5 ttmt -67.93 -54.42 16.7 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' PRO . . . . . 0.595 ' HB3' ' HB1' ' X' ' 16' ' ' ALA . 74.1 Cg_endo -79.95 -14.09 12.54 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.343 1.362 . . . . 0.0 112.361 177.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 71.51 -19.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 112.742 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' X' ' 10' ' ' PRO . 3.7 mm? -105.18 -166.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' LEU . . . . . 0.411 HD13 ' N ' ' X' ' 13' ' ' LEU . 6.2 mp -63.84 -61.15 2.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -158.54 75.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.347 0.594 . . . . 0.0 109.714 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -114.68 34.97 4.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' X' ' 10' ' ' PRO . . . -110.22 -70.14 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -110.06 66.32 0.63 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.408 0.623 . . . . 0.0 109.543 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.04 -85.22 0.58 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.731 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.15 59.57 1.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -85.39 -63.34 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.77 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.19 -25.35 11.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.87 109.99 12.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.187 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--O 1.238 0.457 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.026 0.441 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -99.9 114.8 28.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.49 84.67 7.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.589 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -68.21 -9.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.495 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.677 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.8 pt? -77.3 -0.26 24.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 111.007 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -19.42 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.695 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -98.91 9.27 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.506 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.2 -51.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.564 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.649 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 46.0 mmtm -94.83 -55.57 0.22 Allowed Pre-proline 0 CA--C 1.536 0.404 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.649 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 35.2 Cg_exo -61.37 -29.75 86.18 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.094 1.862 . . . . 0.0 112.421 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.58 -4.95 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -115.41 5.62 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.833 0.825 . . . . 0.0 109.676 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -138.46 85.29 2.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.585 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 18.7 m-90 -78.13 -8.13 57.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -61.36 -42.29 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.166 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.52 ' O ' ' HE2' ' X' ' 20' ' ' LYS . . . -96.94 4.86 51.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.877 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.585 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 54.0 tp -105.34 -46.78 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.53 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.421 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.57 -16.01 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.371 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.52 ' HE2' ' O ' ' X' ' 16' ' ' ALA . 23.2 ttmm -79.9 -34.83 38.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 82.4 mt -67.68 -28.05 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.427 173.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.61 66.14 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.708 0.766 . . . . 0.0 109.035 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -90.43 -89.19 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.927 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -178.291 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.354 0.121 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 50.39 73.99 0.24 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.457 0.473 . . . . 0.0 111.962 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . 0.577 ' HA ' ' HB2' ' X' ' 6' ' ' ALA . 9.6 mp 65.31 33.11 9.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.726 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -82.48 -52.79 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.12 5.51 22.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.594 0.711 . . . . 0.0 109.835 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' X' ' 3' ' ' LEU . . . -65.99 -33.35 75.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.635 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -84.64 17.66 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.997 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.24 -11.99 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.09 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.632 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 58.7 mttp -81.31 -54.63 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.298 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 84.2 Cg_endo -84.54 -9.74 8.99 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.822 1.681 . . . . 0.0 111.741 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.64 -28.37 0.19 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.809 0.844 . . . . 0.0 112.237 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' X' ' 10' ' ' PRO . 98.9 mt -93.08 -154.77 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' X' ' 14' ' ' TRP . 3.8 mm? -75.83 11.79 1.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.427 ' HA ' ' HG3' ' X' ' 10' ' ' PRO . 72.1 t90 84.13 -50.93 0.12 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.939 0.895 . . . . 0.0 109.337 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -87.8 -7.69 56.94 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.932 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.1 -23.93 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.066 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.65 -13.31 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.193 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.12 -51.19 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.065 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.653 ' HA ' ' HB3' ' X' ' 22' ' ' LYS . 1.3 pp -77.38 9.8 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.686 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -85.14 -38.2 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -87.67 -21.24 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.043 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.653 ' HB3' ' HA ' ' X' ' 19' ' ' LEU . 59.6 tptt -73.05 123.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.959 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -94.23 117.78 30.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.338 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.391 179.206 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 25.9 tttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -117.82 109.58 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt 68.52 -11.33 0.41 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 165.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.35 -27.98 67.58 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.04 -0.413 . . . . 0.0 111.394 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.712 ' HG ' ' HB2' ' X' ' 9' ' ' LYS . 24.0 tp -76.87 -2.32 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.734 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -15.49 61.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.101 0.477 . . . . 0.0 110.78 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.23 14.59 25.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.939 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.73 6.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.719 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 38.9 ttpt -123.86 -54.64 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.932 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 16.1 Cg_exo -69.91 -47.68 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.673 1.582 . . . . 0.0 110.611 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.34 -81.51 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -175.51 134.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.764 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt 53.32 36.56 23.13 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.527 0.517 . . . . 0.0 111.062 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -77.05 -20.25 56.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.54 -36.53 80.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.92 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.53 -10.97 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -91.18 -32.26 15.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' X' ' 22' ' ' LYS . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.659 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.46 -23.78 66.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.22 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -84.05 -23.76 30.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.406 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.91 -9.58 55.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.617 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' X' ' 18' ' ' ALA . 61.9 mttm -77.77 67.8 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.234 0.54 . . . . 0.0 110.63 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -93.87 -8.28 40.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.036 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.529 177.848 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 53.44 43.63 31.06 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.511 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.57 75.55 8.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.031 0.443 . . . . 0.0 110.977 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 64.96 29.87 12.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.699 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp 63.86 94.6 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.35 0.595 . . . . 0.0 111.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.44 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.212 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.5 tp -101.8 108.97 20.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.57 -0.4 3.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.503 0.721 . . . . 0.0 111.723 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.755 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 61.4 tttt -78.89 -55.58 0.95 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.944 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 5.9 Cg_exo -78.59 -26.02 6.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.031 1.821 . . . . 0.0 112.609 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.83 -16.16 45.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.085 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.04 132.12 39.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.952 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.541 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 8.0 mp 61.65 39.93 13.86 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.351 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -78.52 -22.85 46.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.52 18.7 8.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.935 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.526 ' HB3' ' HB3' ' X' ' 13' ' ' LEU . . . -121.66 -48.18 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.023 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 3.2 pp -88.71 -6.35 57.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -175.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.4 -36.82 4.19 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.146 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' X' ' 23' ' ' LYS . 34.9 tp -75.49 -15.67 60.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.227 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -88.82 -9.24 52.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.41 -40.56 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -121.87 83.44 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.433 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 44.9 mttp -69.97 144.3 52.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.086 0.47 . . . . 0.0 111.42 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.918 177.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.481 ' HZ2' ' HB2' ' X' ' 1' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' X' ' 1' ' ' LYS . 31.8 mmtp 69.79 -71.89 0.12 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.552 0.532 . . . . 0.0 110.466 -172.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.0 103.84 5.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -76.95 -68.2 0.63 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.33 109.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.286 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.69 -45.45 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' X' ' 17' ' ' LEU . 99.2 mt -79.99 68.36 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.266 0.555 . . . . 0.0 110.159 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.52 -48.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.706 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.444 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 29.4 mmmt -59.31 -53.72 63.34 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.198 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.444 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 94.6 Cg_endo -79.73 -3.3 12.77 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.312 1.342 . . . . 0.0 113.305 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.14 22.86 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.321 0.581 . . . . 0.0 110.752 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 tp -81.66 114.91 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.984 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 90.1 mt 60.97 29.45 19.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.196 177.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.424 ' HA ' HD12 ' X' ' 17' ' ' LEU . 4.6 t90 -73.63 -30.02 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.41 -21.39 64.68 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.676 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.86 -6.45 24.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 92.4 mt -84.34 -0.84 54.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.34 0.59 . . . . 0.0 110.073 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -16.41 63.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.207 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -116.02 33.92 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.992 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.413 ' HG3' ' HG ' ' X' ' 21' ' ' LEU . 62.1 pttt -64.33 -32.34 73.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.559 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.413 ' HG ' ' HG3' ' X' ' 20' ' ' LYS . 89.8 mt -104.9 -18.41 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.404 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 60.04 32.48 21.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttm 62.64 73.53 0.46 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.966 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -109.58 131.25 55.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.212 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp 68.37 115.73 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.783 0.677 . . . . 0.0 111.231 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -108.34 101.92 11.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.26 64.7 2.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.306 0.574 . . . . 0.0 111.484 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.33 -18.09 2.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.75 61.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.051 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.45 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.793 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.544 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 23.2 ttmm -56.1 -51.27 81.99 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 50.2 Cg_exo -55.16 -24.59 41.91 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.297 1.998 . . . . 0.0 113.106 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.91 -46.37 5.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.3 97.06 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' X' ' 17' ' ' LEU . 29.0 tp 61.12 64.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.456 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -120.75 -55.01 2.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.767 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -64.31 -49.22 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.343 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -16.89 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.624 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.607 ' HB2' ' HG ' ' X' ' 13' ' ' LEU . 48.3 tp -84.32 -29.11 26.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.149 0.499 . . . . 0.0 109.761 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.771 ' HB3' ' HB2' ' X' ' 24' ' ' ALA . . . -66.97 -16.22 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.563 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 pp -105.97 -30.03 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.626 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -69.97 -58.76 3.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.997 0.427 . . . . 0.0 110.983 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.498 HD12 HD13 ' X' ' 17' ' ' LEU . 83.5 mt -108.51 17.41 22.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.433 ' HB3' ' H ' ' X' ' 23' ' ' LYS . 61.4 mttp 58.81 -154.82 0.36 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.487 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.433 ' H ' ' HB3' ' X' ' 22' ' ' LYS . 44.5 tptt 67.93 72.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.585 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' HB3' ' X' ' 18' ' ' ALA . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.259 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' X' ' 2' ' ' LYS . 59.7 tptt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.765 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.412 ' HD2' ' HB3' ' X' ' 1' ' ' LYS . 9.0 mptt -78.81 -28.38 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.128 -174.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.14 -27.8 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -95.05 9.18 40.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.68 -2.96 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.104 0.478 . . . . 0.0 110.576 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.522 ' O ' ' HD2' ' X' ' 10' ' ' PRO . . . -69.61 -41.3 75.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.476 -175.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 23.6 tp -85.54 25.6 1.03 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.35 0.595 . . . . 0.0 110.453 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.96 -60.46 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.648 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.786 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 37.6 ttmt -75.33 -55.96 2.03 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -173.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 17.3 Cg_exo -69.48 -20.61 35.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.803 1.669 . . . . 0.0 112.218 176.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.41 1.97 2.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.426 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.23 -172.08 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.56 -58.3 8.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.699 0.285 . . . . 0.0 110.262 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -163.9 27.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 110.392 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -99.83 53.03 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.224 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.57 -52.7 2.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.685 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.05 8.92 40.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.047 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.5 70.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.513 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.21 -46.96 87.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -90.51 -16.09 29.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 110.373 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.95 -34.94 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -95.05 36.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.645 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -117.31 102.03 8.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.086 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.485 178.529 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.546 0.213 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -66.76 -56.66 9.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.383 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.27 100.16 9.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -82.17 45.2 0.91 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.04 -1.57 48.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 -174.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.76 -2.2 57.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.383 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -71.63 88.62 0.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.67 -15.45 0.63 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.241 -0.89 . . . . 0.0 113.272 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 86.6 tttt -70.63 -59.84 3.52 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.93 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.869 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 3.2 Cg_exo -82.78 -1.51 10.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.289 1.992 . . . . 0.0 112.032 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.14 32.43 17.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.755 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.17 114.29 27.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.105 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' X' ' 18' ' ' ALA . 87.0 mt 58.96 40.63 22.21 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.083 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -74.58 -73.38 0.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -141.99 -79.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.896 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.13 -2.66 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.489 0.661 . . . . 0.0 110.474 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.63 28.45 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.866 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.434 ' HA ' HD21 ' X' ' 13' ' ' LEU . . . -90.91 -30.45 16.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.723 174.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.75 -54.62 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.519 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 57.01 49.54 13.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.505 0.669 . . . . 0.0 110.402 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt 64.4 5.74 2.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -112.55 85.79 2.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -68.83 -36.01 77.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.276 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.728 176.604 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.656 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -89.97 87.77 7.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' X' ' 3' ' ' LEU . 1.7 pt? -136.72 97.11 3.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.383 0.611 . . . . 0.0 110.391 175.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -132.43 54.54 1.94 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.584 0.706 . . . . 0.0 109.556 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -151.97 87.2 1.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.529 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.82 -17.75 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.059 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt -84.2 49.76 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.73 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.25 -50.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.612 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -60.55 -52.29 73.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.62 9.64 2.85 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.549 1.499 . . . . 0.0 112.461 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.62 39.95 17.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.142 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt 70.51 164.27 0.27 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.345 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.552 ' HB2' ' HZ2' ' X' ' 20' ' ' LYS . 6.9 mp 58.58 72.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.509 0.671 . . . . 0.0 109.446 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -93.09 0.25 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.669 -172.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -104.37 -40.82 5.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.652 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.45 66.69 8.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.789 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.604 ' HA ' ' HB3' ' X' ' 20' ' ' LYS . 83.0 mt -104.44 20.23 18.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.505 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 -52.37 50.37 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.952 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.22 11.04 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.227 0.537 . . . . 0.0 110.049 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.604 ' HB3' ' HA ' ' X' ' 17' ' ' LEU . 38.3 ttmt -93.59 -31.52 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.56 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.0 tp -87.81 -32.52 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -87.01 102.73 14.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.633 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -166.86 156.41 10.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.383 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.011 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.651 0.262 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.36 -74.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.377 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.24 110.95 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.372 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -130.63 33.29 4.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.89 -10.41 59.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.03 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.57 -13.96 62.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.183 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -106.88 8.2 30.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.598 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.93 -46.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.383 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.54 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 39.5 ttmt -67.93 -54.42 16.7 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' PRO . . . . . 0.595 ' HB3' ' HB1' ' X' ' 16' ' ' ALA . 74.1 Cg_endo -79.95 -14.09 12.54 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.343 1.362 . . . . 0.0 112.361 177.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 71.51 -19.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 112.742 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' X' ' 10' ' ' PRO . 3.7 mm? -105.18 -166.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.411 HD13 ' N ' ' X' ' 13' ' ' LEU . 6.2 mp -63.84 -61.15 2.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -158.54 75.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.347 0.594 . . . . 0.0 109.714 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -114.68 34.97 4.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' X' ' 10' ' ' PRO . . . -110.22 -70.14 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -110.06 66.32 0.63 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.408 0.623 . . . . 0.0 109.543 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.04 -85.22 0.58 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.731 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.15 59.57 1.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -85.39 -63.34 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.77 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.19 -25.35 11.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.87 109.99 12.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.187 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -76.77 115.85 16.91 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.751 -178.84 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.026 0.441 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -99.9 114.8 28.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.49 84.67 7.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.589 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 4' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' X' ' 4' ' ' LYS . 20.0 pttp -68.21 -9.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.495 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.768 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.8 pt? -77.3 -0.26 24.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 111.007 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -19.42 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.695 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -98.91 9.27 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.506 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.2 -51.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.564 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.66 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 46.0 mmtm -94.83 -55.57 0.22 Allowed Pre-proline 0 CA--C 1.536 0.404 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.66 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 35.2 Cg_exo -61.37 -29.75 86.18 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.094 1.862 . . . . 0.0 112.421 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.58 -4.95 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -115.41 5.62 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.833 0.825 . . . . 0.0 109.676 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -138.46 85.29 2.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.621 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 18.7 m-90 -78.13 -8.13 57.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -61.36 -42.29 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.166 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 16' ' ' ALA . . . . . 0.529 ' O ' ' HE2' ' X' ' 20' ' ' LYS . . . -96.94 4.86 51.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.877 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 54.0 tp -105.34 -46.78 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.53 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.421 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.57 -16.01 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.371 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.529 ' HE2' ' O ' ' X' ' 16' ' ' ALA . 23.2 ttmm -79.9 -34.83 38.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 82.4 mt -67.68 -28.05 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.427 173.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.61 66.14 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.708 0.766 . . . . 0.0 109.035 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 tttm . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.927 -174.365 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.354 0.121 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 2' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' X' ' 2' ' ' LYS . 70.3 mmtt 50.39 73.99 0.24 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.457 0.473 . . . . 0.0 111.962 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 3' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' X' ' 6' ' ' ALA . 9.6 mp 65.31 33.11 9.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.726 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -82.48 -52.79 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.12 5.51 22.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.594 0.711 . . . . 0.0 109.835 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 6' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' X' ' 3' ' ' LEU . . . -65.99 -33.35 75.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.635 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' X' ' 14' ' ' TRP . 8.8 mp -84.64 17.66 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.997 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.24 -11.99 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.09 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.673 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 58.7 mttp -81.31 -54.63 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.298 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.673 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 84.2 Cg_endo -84.54 -9.74 8.99 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.822 1.681 . . . . 0.0 111.741 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.64 -28.37 0.19 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.809 0.844 . . . . 0.0 112.237 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' X' ' 10' ' ' PRO . 98.9 mt -93.08 -154.77 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' X' ' 14' ' ' TRP . 3.8 mm? -75.83 11.79 1.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.478 ' HA ' ' HG3' ' X' ' 10' ' ' PRO . 72.1 t90 84.13 -50.93 0.12 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.939 0.895 . . . . 0.0 109.337 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -87.8 -7.69 56.94 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.932 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.1 -23.93 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.066 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.65 -13.31 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.193 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.12 -51.19 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.065 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' X' ' 22' ' ' LYS . 1.3 pp -77.38 9.8 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.686 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -85.14 -38.2 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -87.67 -21.24 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.043 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' LYS . . . . . 0.687 ' HB3' ' HA ' ' X' ' 19' ' ' LEU . 59.6 tptt -73.05 123.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.959 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.338 178.624 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 25.9 tttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -117.82 109.58 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt 68.52 -11.33 0.41 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 165.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.35 -27.98 67.58 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.04 -0.413 . . . . 0.0 111.394 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 5' ' ' LEU . . . . . 0.733 ' HG ' ' HB2' ' X' ' 9' ' ' LYS . 24.0 tp -76.87 -2.32 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.734 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -15.49 61.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.101 0.477 . . . . 0.0 110.78 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.23 14.59 25.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.939 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.73 6.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.733 ' HB2' ' HG ' ' X' ' 5' ' ' LEU . 38.9 ttpt -123.86 -54.64 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.932 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 16.1 Cg_exo -69.91 -47.68 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.673 1.582 . . . . 0.0 110.611 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.34 -81.51 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -175.51 134.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.764 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt 53.32 36.56 23.13 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.527 0.517 . . . . 0.0 111.062 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -77.05 -20.25 56.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.54 -36.53 80.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.92 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.53 -10.97 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -91.18 -32.26 15.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' X' ' 22' ' ' LYS . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.659 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.46 -23.78 66.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.22 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -84.05 -23.76 30.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.406 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.91 -9.58 55.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.617 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' X' ' 18' ' ' ALA . 61.9 mttm -77.77 67.8 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.234 0.54 . . . . 0.0 110.63 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.2 mttt . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.036 -179.375 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 53.44 43.63 31.06 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.511 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.57 75.55 8.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.031 0.443 . . . . 0.0 110.977 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 64.96 29.87 12.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.699 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp 63.86 94.6 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.35 0.595 . . . . 0.0 111.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.44 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.212 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.5 tp -101.8 108.97 20.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.57 -0.4 3.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.503 0.721 . . . . 0.0 111.723 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.752 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 61.4 tttt -78.89 -55.58 0.95 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.944 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 5.9 Cg_exo -78.59 -26.02 6.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.031 1.821 . . . . 0.0 112.609 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.83 -16.16 45.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.085 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.04 132.12 39.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.952 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' X' ' 16' ' ' ALA . 8.0 mp 61.65 39.93 13.86 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.351 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -78.52 -22.85 46.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.52 18.7 8.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.935 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' X' ' 13' ' ' LEU . . . -121.66 -48.18 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.023 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 3.2 pp -88.71 -6.35 57.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -175.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.4 -36.82 4.19 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.146 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' X' ' 23' ' ' LYS . 34.9 tp -75.49 -15.67 60.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.227 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -88.82 -9.24 52.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.41 -40.56 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -121.87 83.44 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.433 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 44.9 mttp . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.086 0.47 . . . . 0.0 111.42 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 1' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' X' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' X' ' 1' ' ' LYS . 31.8 mmtp 69.79 -71.89 0.12 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.552 0.532 . . . . 0.0 110.466 -172.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.0 103.84 5.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -76.95 -68.2 0.63 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.33 109.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.286 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.69 -45.45 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 7' ' ' LEU . . . . . 0.613 ' HB3' HD11 ' X' ' 17' ' ' LEU . 99.2 mt -79.99 68.36 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.266 0.555 . . . . 0.0 110.159 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.52 -48.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.706 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 29.4 mmmt -59.31 -53.72 63.34 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.198 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 94.6 Cg_endo -79.73 -3.3 12.77 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.312 1.342 . . . . 0.0 113.305 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.14 22.86 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.321 0.581 . . . . 0.0 110.752 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 tp -81.66 114.91 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.984 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 90.1 mt 60.97 29.45 19.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.196 177.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.449 ' HA ' HD12 ' X' ' 17' ' ' LEU . 4.6 t90 -73.63 -30.02 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.41 -21.39 64.68 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.676 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.86 -6.45 24.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 92.4 mt -84.34 -0.84 54.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.34 0.59 . . . . 0.0 110.073 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -16.41 63.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.207 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -116.02 33.92 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.992 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.433 ' HG3' ' HG ' ' X' ' 21' ' ' LEU . 62.1 pttt -64.33 -32.34 73.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.559 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' HG3' ' X' ' 20' ' ' LYS . 89.8 mt -104.9 -18.41 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.404 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 60.04 32.48 21.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttm . . . . . 0 C--O 1.232 0.175 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -173.479 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -109.58 131.25 55.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.212 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp 68.37 115.73 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.783 0.677 . . . . 0.0 111.231 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -108.34 101.92 11.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.26 64.7 2.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.306 0.574 . . . . 0.0 111.484 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.33 -18.09 2.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.75 61.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.051 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.45 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.793 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 23.2 ttmm -56.1 -51.27 81.99 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 50.2 Cg_exo -55.16 -24.59 41.91 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.297 1.998 . . . . 0.0 113.106 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.91 -46.37 5.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 12' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -87.3 97.06 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -174.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.62 ' HG ' ' HB2' ' X' ' 17' ' ' LEU . 29.0 tp 61.12 64.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.456 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -120.75 -55.01 2.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.767 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -64.31 -49.22 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.343 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -16.89 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.624 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.62 ' HB2' ' HG ' ' X' ' 13' ' ' LEU . 48.3 tp -84.32 -29.11 26.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.149 0.499 . . . . 0.0 109.761 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' X' ' 22' ' ' LYS . . . -66.97 -16.22 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.563 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 pp -105.97 -30.03 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.626 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -69.97 -58.76 3.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.997 0.427 . . . . 0.0 110.983 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.52 HD12 HD11 ' X' ' 17' ' ' LEU . 83.5 mt -108.51 17.41 22.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 22' ' ' LYS . . . . . 0.471 ' HB3' ' H ' ' X' ' 23' ' ' LYS . 61.4 mttp 58.81 -154.82 0.36 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.487 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 23' ' ' LYS . . . . . 0.471 ' H ' ' HB3' ' X' ' 22' ' ' LYS . 44.5 tptt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.585 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 1' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' X' ' 2' ' ' LYS . 59.7 tptt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.765 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 2' ' ' LYS . . . . . 0.455 ' H ' ' HD2' ' X' ' 2' ' ' LYS . 9.0 mptt -78.81 -28.38 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.128 -174.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.14 -27.8 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -95.05 9.18 40.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.68 -2.96 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.104 0.478 . . . . 0.0 110.576 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 6' ' ' ALA . . . . . 0.52 ' O ' ' HD2' ' X' ' 10' ' ' PRO . . . -69.61 -41.3 75.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.476 -175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 23.6 tp -85.54 25.6 1.03 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.35 0.595 . . . . 0.0 110.453 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.96 -60.46 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.648 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.792 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 37.6 ttmt -75.33 -55.96 2.03 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -173.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 17.3 Cg_exo -69.48 -20.61 35.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.803 1.669 . . . . 0.0 112.218 176.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.41 1.97 2.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.426 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.23 -172.08 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.56 -58.3 8.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.699 0.285 . . . . 0.0 110.262 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -163.9 27.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 110.392 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -99.83 53.03 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.224 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.57 -52.7 2.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.685 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.05 8.92 40.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.047 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.5 70.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.513 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.21 -46.96 87.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -90.51 -16.09 29.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 110.373 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.95 -34.94 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -95.05 36.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.645 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.086 178.365 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.546 0.213 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -66.76 -56.66 9.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.383 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.27 100.16 9.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -82.17 45.2 0.91 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.04 -1.57 48.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 -174.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.76 -2.2 57.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.383 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -71.63 88.62 0.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.67 -15.45 0.63 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.241 -0.89 . . . . 0.0 113.272 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 86.6 tttt -70.63 -59.84 3.52 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.93 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.869 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 3.2 Cg_exo -82.78 -1.51 10.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.289 1.992 . . . . 0.0 112.032 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.14 32.43 17.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.755 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.17 114.29 27.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.105 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' X' ' 18' ' ' ALA . 87.0 mt 58.96 40.63 22.21 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.083 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -74.58 -73.38 0.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -141.99 -79.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.896 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.13 -2.66 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.489 0.661 . . . . 0.0 110.474 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.63 28.45 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.866 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' X' ' 13' ' ' LEU . . . -90.91 -30.45 16.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.723 174.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.75 -54.62 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.519 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 57.01 49.54 13.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.505 0.669 . . . . 0.0 110.402 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt 64.4 5.74 2.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -112.55 85.79 2.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.276 -177.608 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.656 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -89.97 87.77 7.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 3' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' X' ' 3' ' ' LEU . 1.7 pt? -136.72 97.11 3.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.383 0.611 . . . . 0.0 110.391 175.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -132.43 54.54 1.94 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.584 0.706 . . . . 0.0 109.556 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -151.97 87.2 1.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.529 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.82 -17.75 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.059 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt -84.2 49.76 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.73 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.25 -50.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.612 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.416 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 68.0 mttm -60.55 -52.29 73.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 74.3 Cg_endo -77.62 9.64 2.85 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.549 1.499 . . . . 0.0 112.461 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.62 39.95 17.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.142 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt 70.51 164.27 0.27 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.345 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.445 ' HB2' ' NZ ' ' X' ' 20' ' ' LYS . 6.9 mp 58.58 72.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.509 0.671 . . . . 0.0 109.446 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -93.09 0.25 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.669 -172.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -104.37 -40.82 5.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.652 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.45 66.69 8.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.789 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' X' ' 20' ' ' LYS . 83.0 mt -104.44 20.23 18.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.505 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 -52.37 50.37 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.952 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.22 11.04 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.227 0.537 . . . . 0.0 110.049 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' X' ' 17' ' ' LEU . 38.3 ttmt -93.59 -31.52 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.56 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' X' ' 17' ' ' LEU . 58.0 tp -87.81 -32.52 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -87.01 102.73 14.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.633 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.383 -175.794 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.651 0.262 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.36 -74.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.377 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.24 110.95 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.372 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -130.63 33.29 4.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.89 -10.41 59.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.03 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.57 -13.96 62.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.183 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -106.88 8.2 30.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.598 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.93 -46.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.383 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.558 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 39.5 ttmt -67.93 -54.42 16.7 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 10' ' ' PRO . . . . . 0.617 ' HB3' ' HB2' ' X' ' 16' ' ' ALA . 74.1 Cg_endo -79.95 -14.09 12.54 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.343 1.362 . . . . 0.0 112.361 177.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 71.51 -19.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 112.742 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -105.18 -166.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 13' ' ' LEU . . . . . 0.467 ' H ' HD12 ' X' ' 13' ' ' LEU . 6.2 mp -63.84 -61.15 2.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -158.54 75.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.347 0.594 . . . . 0.0 109.714 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -114.68 34.97 4.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' X' ' 10' ' ' PRO . . . -110.22 -70.14 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -110.06 66.32 0.63 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.408 0.623 . . . . 0.0 109.543 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.04 -85.22 0.58 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.731 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.15 59.57 1.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -85.39 -63.34 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.77 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.19 -25.35 11.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.87 109.99 12.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.187 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--O 1.238 0.457 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.026 0.441 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -99.9 114.8 28.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.49 84.67 7.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.589 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' X' ' 4' ' ' LYS . 20.0 pttp -68.21 -9.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.495 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.768 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.8 pt? -77.3 -0.26 24.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 111.007 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -19.42 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.695 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -98.91 9.27 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.506 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.2 -51.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.564 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.66 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 46.0 mmtm -94.83 -55.57 0.22 Allowed Pre-proline 0 CA--C 1.536 0.404 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.66 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 35.2 Cg_exo -61.37 -29.75 86.18 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.094 1.862 . . . . 0.0 112.421 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.58 -4.95 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -115.41 5.62 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.833 0.825 . . . . 0.0 109.676 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -138.46 85.29 2.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.621 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 18.7 m-90 -78.13 -8.13 57.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -61.36 -42.29 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.166 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.529 ' O ' ' HE2' ' X' ' 20' ' ' LYS . . . -96.94 4.86 51.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.877 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 54.0 tp -105.34 -46.78 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.53 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.421 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.57 -16.01 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.371 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.529 ' HE2' ' O ' ' X' ' 16' ' ' ALA . 23.2 ttmm -79.9 -34.83 38.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 82.4 mt -67.68 -28.05 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.427 173.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.61 66.14 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.708 0.766 . . . . 0.0 109.035 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -90.43 -89.19 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.927 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -178.291 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.354 0.121 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' X' ' 2' ' ' LYS . 70.3 mmtt 50.39 73.99 0.24 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.457 0.473 . . . . 0.0 111.962 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 3' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' X' ' 6' ' ' ALA . 9.6 mp 65.31 33.11 9.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.726 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -82.48 -52.79 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.12 5.51 22.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.594 0.711 . . . . 0.0 109.835 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' X' ' 3' ' ' LEU . . . -65.99 -33.35 75.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.635 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' X' ' 14' ' ' TRP . 8.8 mp -84.64 17.66 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.997 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.24 -11.99 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.09 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.673 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 58.7 mttp -81.31 -54.63 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.298 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.673 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 84.2 Cg_endo -84.54 -9.74 8.99 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.822 1.681 . . . . 0.0 111.741 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.64 -28.37 0.19 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.809 0.844 . . . . 0.0 112.237 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' X' ' 10' ' ' PRO . 98.9 mt -93.08 -154.77 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' X' ' 14' ' ' TRP . 3.8 mm? -75.83 11.79 1.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.478 ' HA ' ' HG3' ' X' ' 10' ' ' PRO . 72.1 t90 84.13 -50.93 0.12 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.939 0.895 . . . . 0.0 109.337 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -87.8 -7.69 56.94 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.932 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.1 -23.93 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.066 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.65 -13.31 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.193 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.12 -51.19 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.065 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' X' ' 22' ' ' LYS . 1.3 pp -77.38 9.8 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.686 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -85.14 -38.2 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -87.67 -21.24 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.043 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.687 ' HB3' ' HA ' ' X' ' 19' ' ' LEU . 59.6 tptt -73.05 123.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.959 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -94.23 117.78 30.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.338 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.391 179.206 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 25.9 tttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -117.82 109.58 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt 68.52 -11.33 0.41 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 165.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.35 -27.98 67.58 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.04 -0.413 . . . . 0.0 111.394 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.733 ' HG ' ' HB2' ' X' ' 9' ' ' LYS . 24.0 tp -76.87 -2.32 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.734 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -15.49 61.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.101 0.477 . . . . 0.0 110.78 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.23 14.59 25.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.939 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.73 6.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.733 ' HB2' ' HG ' ' X' ' 5' ' ' LEU . 38.9 ttpt -123.86 -54.64 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.932 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 16.1 Cg_exo -69.91 -47.68 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.673 1.582 . . . . 0.0 110.611 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.34 -81.51 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -175.51 134.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.764 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt 53.32 36.56 23.13 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.527 0.517 . . . . 0.0 111.062 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -77.05 -20.25 56.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.54 -36.53 80.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.92 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.53 -10.97 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -91.18 -32.26 15.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' X' ' 22' ' ' LYS . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.659 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.46 -23.78 66.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.22 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -84.05 -23.76 30.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.406 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.91 -9.58 55.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.617 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' X' ' 18' ' ' ALA . 61.9 mttm -77.77 67.8 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.234 0.54 . . . . 0.0 110.63 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -93.87 -8.28 40.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.036 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.529 177.848 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 53.44 43.63 31.06 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.511 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.57 75.55 8.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.031 0.443 . . . . 0.0 110.977 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 64.96 29.87 12.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.699 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp 63.86 94.6 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.35 0.595 . . . . 0.0 111.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.44 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.212 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.5 tp -101.8 108.97 20.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.57 -0.4 3.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.503 0.721 . . . . 0.0 111.723 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.752 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 61.4 tttt -78.89 -55.58 0.95 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.944 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 5.9 Cg_exo -78.59 -26.02 6.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.031 1.821 . . . . 0.0 112.609 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.83 -16.16 45.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.085 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.04 132.12 39.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.952 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' X' ' 16' ' ' ALA . 8.0 mp 61.65 39.93 13.86 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.351 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -78.52 -22.85 46.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.52 18.7 8.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.935 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' X' ' 13' ' ' LEU . . . -121.66 -48.18 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.023 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 3.2 pp -88.71 -6.35 57.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -175.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.4 -36.82 4.19 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.146 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' X' ' 23' ' ' LYS . 34.9 tp -75.49 -15.67 60.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.227 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -88.82 -9.24 52.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.41 -40.56 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -121.87 83.44 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.433 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 44.9 mttp -69.97 144.3 52.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.086 0.47 . . . . 0.0 111.42 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.918 177.858 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' X' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' X' ' 1' ' ' LYS . 31.8 mmtp 69.79 -71.89 0.12 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.552 0.532 . . . . 0.0 110.466 -172.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.0 103.84 5.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -76.95 -68.2 0.63 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.33 109.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.286 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.69 -45.45 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.613 ' HB3' HD11 ' X' ' 17' ' ' LEU . 99.2 mt -79.99 68.36 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.266 0.555 . . . . 0.0 110.159 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.52 -48.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.706 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 29.4 mmmt -59.31 -53.72 63.34 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.198 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 94.6 Cg_endo -79.73 -3.3 12.77 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.312 1.342 . . . . 0.0 113.305 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.14 22.86 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.321 0.581 . . . . 0.0 110.752 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 tp -81.66 114.91 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.984 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 90.1 mt 60.97 29.45 19.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.196 177.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.449 ' HA ' HD12 ' X' ' 17' ' ' LEU . 4.6 t90 -73.63 -30.02 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.41 -21.39 64.68 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.676 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.86 -6.45 24.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 92.4 mt -84.34 -0.84 54.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.34 0.59 . . . . 0.0 110.073 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -16.41 63.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.207 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -116.02 33.92 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.992 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.433 ' HG3' ' HG ' ' X' ' 21' ' ' LEU . 62.1 pttt -64.33 -32.34 73.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.559 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' HG3' ' X' ' 20' ' ' LYS . 89.8 mt -104.9 -18.41 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.404 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 60.04 32.48 21.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttm 62.64 73.53 0.46 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.966 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -109.58 131.25 55.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.212 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp 68.37 115.73 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.783 0.677 . . . . 0.0 111.231 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -108.34 101.92 11.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.26 64.7 2.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.306 0.574 . . . . 0.0 111.484 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.33 -18.09 2.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.75 61.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.051 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.45 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.793 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 23.2 ttmm -56.1 -51.27 81.99 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 50.2 Cg_exo -55.16 -24.59 41.91 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.297 1.998 . . . . 0.0 113.106 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.91 -46.37 5.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -87.3 97.06 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -174.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.62 ' HG ' ' HB2' ' X' ' 17' ' ' LEU . 29.0 tp 61.12 64.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.456 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -120.75 -55.01 2.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.767 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -64.31 -49.22 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.343 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -16.89 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.624 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.62 ' HB2' ' HG ' ' X' ' 13' ' ' LEU . 48.3 tp -84.32 -29.11 26.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.149 0.499 . . . . 0.0 109.761 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.81 ' HB1' ' HB2' ' X' ' 24' ' ' ALA . . . -66.97 -16.22 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.563 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 pp -105.97 -30.03 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.626 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -69.97 -58.76 3.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.997 0.427 . . . . 0.0 110.983 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.52 HD12 HD11 ' X' ' 17' ' ' LEU . 83.5 mt -108.51 17.41 22.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.471 ' HB3' ' H ' ' X' ' 23' ' ' LYS . 61.4 mttp 58.81 -154.82 0.36 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.487 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.471 ' H ' ' HB3' ' X' ' 22' ' ' LYS . 44.5 tptt 67.93 72.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.585 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.81 ' HB2' ' HB1' ' X' ' 18' ' ' ALA . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.259 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' X' ' 2' ' ' LYS . 59.7 tptt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.765 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.455 ' H ' ' HD2' ' X' ' 2' ' ' LYS . 9.0 mptt -78.81 -28.38 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.128 -174.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.14 -27.8 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -95.05 9.18 40.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.68 -2.96 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.104 0.478 . . . . 0.0 110.576 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.52 ' O ' ' HD2' ' X' ' 10' ' ' PRO . . . -69.61 -41.3 75.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.476 -175.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 23.6 tp -85.54 25.6 1.03 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.35 0.595 . . . . 0.0 110.453 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.96 -60.46 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.648 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.792 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 37.6 ttmt -75.33 -55.96 2.03 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -173.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 17.3 Cg_exo -69.48 -20.61 35.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.803 1.669 . . . . 0.0 112.218 176.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.41 1.97 2.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.426 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.23 -172.08 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.56 -58.3 8.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.699 0.285 . . . . 0.0 110.262 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -163.9 27.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 110.392 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -99.83 53.03 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.224 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.57 -52.7 2.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.685 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.05 8.92 40.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.047 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.5 70.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.513 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.21 -46.96 87.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -90.51 -16.09 29.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 110.373 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.95 -34.94 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -95.05 36.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.645 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -117.31 102.03 8.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.086 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.485 178.529 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.546 0.213 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -66.76 -56.66 9.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.383 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.27 100.16 9.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -82.17 45.2 0.91 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.04 -1.57 48.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 -174.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.76 -2.2 57.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.383 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -71.63 88.62 0.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.67 -15.45 0.63 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.241 -0.89 . . . . 0.0 113.272 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 86.6 tttt -70.63 -59.84 3.52 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.93 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.869 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 3.2 Cg_exo -82.78 -1.51 10.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.289 1.992 . . . . 0.0 112.032 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.14 32.43 17.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.755 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.17 114.29 27.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.105 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' X' ' 18' ' ' ALA . 87.0 mt 58.96 40.63 22.21 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.083 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -74.58 -73.38 0.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -141.99 -79.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.896 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.13 -2.66 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.489 0.661 . . . . 0.0 110.474 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.63 28.45 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.866 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' X' ' 13' ' ' LEU . . . -90.91 -30.45 16.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.723 174.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.75 -54.62 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.519 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 57.01 49.54 13.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.505 0.669 . . . . 0.0 110.402 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt 64.4 5.74 2.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -112.55 85.79 2.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -68.83 -36.01 77.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.276 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.728 176.604 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.656 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -89.97 87.77 7.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' X' ' 3' ' ' LEU . 1.7 pt? -136.72 97.11 3.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.383 0.611 . . . . 0.0 110.391 175.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -132.43 54.54 1.94 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.584 0.706 . . . . 0.0 109.556 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -151.97 87.2 1.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.529 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.82 -17.75 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.059 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt -84.2 49.76 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.73 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.25 -50.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.612 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.416 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 68.0 mttm -60.55 -52.29 73.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 74.3 Cg_endo -77.62 9.64 2.85 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.549 1.499 . . . . 0.0 112.461 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.62 39.95 17.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.142 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt 70.51 164.27 0.27 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.345 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.445 ' HB2' ' NZ ' ' X' ' 20' ' ' LYS . 6.9 mp 58.58 72.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.509 0.671 . . . . 0.0 109.446 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -93.09 0.25 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.669 -172.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -104.37 -40.82 5.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.652 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.45 66.69 8.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.789 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' X' ' 20' ' ' LYS . 83.0 mt -104.44 20.23 18.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.505 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 -52.37 50.37 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.952 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.22 11.04 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.227 0.537 . . . . 0.0 110.049 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' X' ' 17' ' ' LEU . 38.3 ttmt -93.59 -31.52 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.56 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' X' ' 17' ' ' LEU . 58.0 tp -87.81 -32.52 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -87.01 102.73 14.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.633 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -166.86 156.41 10.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.383 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.011 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.651 0.262 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.36 -74.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.377 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.24 110.95 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.372 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -130.63 33.29 4.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.89 -10.41 59.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.03 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.57 -13.96 62.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.183 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -106.88 8.2 30.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.598 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.93 -46.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.383 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.558 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 39.5 ttmt -67.93 -54.42 16.7 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 10' ' ' PRO . . . . . 0.617 ' HB3' ' HB2' ' X' ' 16' ' ' ALA . 74.1 Cg_endo -79.95 -14.09 12.54 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.343 1.362 . . . . 0.0 112.361 177.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 71.51 -19.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 112.742 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -105.18 -166.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.467 ' H ' HD12 ' X' ' 13' ' ' LEU . 6.2 mp -63.84 -61.15 2.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -158.54 75.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.347 0.594 . . . . 0.0 109.714 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -114.68 34.97 4.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' X' ' 10' ' ' PRO . . . -110.22 -70.14 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -110.06 66.32 0.63 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.408 0.623 . . . . 0.0 109.543 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.04 -85.22 0.58 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.731 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.15 59.57 1.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -85.39 -63.34 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.77 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.19 -25.35 11.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.87 109.99 12.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.187 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -76.77 115.85 16.91 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.751 -178.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.026 0.441 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -99.9 114.8 28.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.49 84.67 7.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.589 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' X' ' 4' ' ' LYS . 20.0 pttp -68.21 -9.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.495 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.768 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.8 pt? -77.3 -0.26 24.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 111.007 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -19.42 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.695 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -98.91 9.27 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.506 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.2 -51.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.564 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.66 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 46.0 mmtm -94.83 -55.57 0.22 Allowed Pre-proline 0 CA--C 1.536 0.404 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.66 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 35.2 Cg_exo -61.37 -29.75 86.18 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.094 1.862 . . . . 0.0 112.421 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.58 -4.95 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -115.41 5.62 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.833 0.825 . . . . 0.0 109.676 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -138.46 85.29 2.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.621 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 18.7 m-90 -78.13 -8.13 57.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -61.36 -42.29 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.166 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . 0.529 ' O ' ' HE2' ' X' ' 20' ' ' LYS . . . -96.94 4.86 51.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.877 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 54.0 tp -105.34 -46.78 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.53 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.421 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.57 -16.01 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.371 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.529 ' HE2' ' O ' ' X' ' 16' ' ' ALA . 23.2 ttmm -79.9 -34.83 38.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 82.4 mt -67.68 -28.05 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.427 173.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.61 66.14 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.708 0.766 . . . . 0.0 109.035 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 tttm . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.927 -174.365 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.354 0.121 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' X' ' 2' ' ' LYS . 70.3 mmtt 50.39 73.99 0.24 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.457 0.473 . . . . 0.0 111.962 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' X' ' 6' ' ' ALA . 9.6 mp 65.31 33.11 9.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.726 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -82.48 -52.79 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.12 5.51 22.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.594 0.711 . . . . 0.0 109.835 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' X' ' 3' ' ' LEU . . . -65.99 -33.35 75.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.635 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' X' ' 14' ' ' TRP . 8.8 mp -84.64 17.66 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.997 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.24 -11.99 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.09 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.673 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 58.7 mttp -81.31 -54.63 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.298 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.673 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 84.2 Cg_endo -84.54 -9.74 8.99 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.822 1.681 . . . . 0.0 111.741 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.64 -28.37 0.19 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.809 0.844 . . . . 0.0 112.237 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' X' ' 10' ' ' PRO . 98.9 mt -93.08 -154.77 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' X' ' 14' ' ' TRP . 3.8 mm? -75.83 11.79 1.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.478 ' HA ' ' HG3' ' X' ' 10' ' ' PRO . 72.1 t90 84.13 -50.93 0.12 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.939 0.895 . . . . 0.0 109.337 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -87.8 -7.69 56.94 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.932 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.1 -23.93 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.066 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.65 -13.31 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.193 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.12 -51.19 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.065 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' X' ' 22' ' ' LYS . 1.3 pp -77.38 9.8 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.686 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -85.14 -38.2 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -87.67 -21.24 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.043 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . 0.687 ' HB3' ' HA ' ' X' ' 19' ' ' LEU . 59.6 tptt -73.05 123.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.959 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.338 178.624 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 25.9 tttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -117.82 109.58 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt 68.52 -11.33 0.41 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 165.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.35 -27.98 67.58 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.04 -0.413 . . . . 0.0 111.394 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . 0.733 ' HG ' ' HB2' ' X' ' 9' ' ' LYS . 24.0 tp -76.87 -2.32 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.734 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -15.49 61.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.101 0.477 . . . . 0.0 110.78 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.23 14.59 25.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.939 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.73 6.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.733 ' HB2' ' HG ' ' X' ' 5' ' ' LEU . 38.9 ttpt -123.86 -54.64 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.932 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 16.1 Cg_exo -69.91 -47.68 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.673 1.582 . . . . 0.0 110.611 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.34 -81.51 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -175.51 134.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.764 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt 53.32 36.56 23.13 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.527 0.517 . . . . 0.0 111.062 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -77.05 -20.25 56.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.54 -36.53 80.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.92 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.53 -10.97 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -91.18 -32.26 15.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' X' ' 22' ' ' LYS . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.659 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.46 -23.78 66.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.22 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -84.05 -23.76 30.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.406 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.91 -9.58 55.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.617 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' X' ' 18' ' ' ALA . 61.9 mttm -77.77 67.8 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.234 0.54 . . . . 0.0 110.63 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.2 mttt . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.036 -179.375 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 53.44 43.63 31.06 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.511 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.57 75.55 8.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.031 0.443 . . . . 0.0 110.977 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 64.96 29.87 12.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.699 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp 63.86 94.6 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.35 0.595 . . . . 0.0 111.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.44 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.212 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.5 tp -101.8 108.97 20.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.57 -0.4 3.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.503 0.721 . . . . 0.0 111.723 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.752 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 61.4 tttt -78.89 -55.58 0.95 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.944 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 5.9 Cg_exo -78.59 -26.02 6.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.031 1.821 . . . . 0.0 112.609 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.83 -16.16 45.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.085 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.04 132.12 39.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.952 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' X' ' 16' ' ' ALA . 8.0 mp 61.65 39.93 13.86 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.351 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -78.52 -22.85 46.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.52 18.7 8.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.935 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' X' ' 13' ' ' LEU . . . -121.66 -48.18 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.023 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 3.2 pp -88.71 -6.35 57.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -175.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.4 -36.82 4.19 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.146 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' X' ' 23' ' ' LYS . 34.9 tp -75.49 -15.67 60.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.227 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -88.82 -9.24 52.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.41 -40.56 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -121.87 83.44 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.433 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 44.9 mttp . . . . . 0 C--N 1.326 -0.424 0 CA-C-O 121.086 0.47 . . . . 0.0 111.42 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' X' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' X' ' 1' ' ' LYS . 31.8 mmtp 69.79 -71.89 0.12 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.552 0.532 . . . . 0.0 110.466 -172.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.0 103.84 5.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -76.95 -68.2 0.63 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.33 109.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.286 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.69 -45.45 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . 0.613 ' HB3' HD11 ' X' ' 17' ' ' LEU . 99.2 mt -79.99 68.36 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.266 0.555 . . . . 0.0 110.159 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.52 -48.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.706 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 29.4 mmmt -59.31 -53.72 63.34 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.198 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 94.6 Cg_endo -79.73 -3.3 12.77 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.312 1.342 . . . . 0.0 113.305 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.14 22.86 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.321 0.581 . . . . 0.0 110.752 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 tp -81.66 114.91 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.984 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 90.1 mt 60.97 29.45 19.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.196 177.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.449 ' HA ' HD12 ' X' ' 17' ' ' LEU . 4.6 t90 -73.63 -30.02 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.41 -21.39 64.68 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.676 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.86 -6.45 24.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 92.4 mt -84.34 -0.84 54.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.34 0.59 . . . . 0.0 110.073 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -16.41 63.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.207 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -116.02 33.92 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.992 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.433 ' HG3' ' HG ' ' X' ' 21' ' ' LEU . 62.1 pttt -64.33 -32.34 73.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.559 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' HG3' ' X' ' 20' ' ' LYS . 89.8 mt -104.9 -18.41 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.404 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 60.04 32.48 21.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttm . . . . . 0 C--O 1.232 0.175 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -173.479 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -109.58 131.25 55.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.212 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp 68.37 115.73 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.783 0.677 . . . . 0.0 111.231 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -108.34 101.92 11.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.26 64.7 2.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.306 0.574 . . . . 0.0 111.484 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.33 -18.09 2.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.75 61.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.051 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.45 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.793 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 23.2 ttmm -56.1 -51.27 81.99 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 50.2 Cg_exo -55.16 -24.59 41.91 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.297 1.998 . . . . 0.0 113.106 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.91 -46.37 5.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -87.3 97.06 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -174.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.62 ' HG ' ' HB2' ' X' ' 17' ' ' LEU . 29.0 tp 61.12 64.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.456 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -120.75 -55.01 2.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.767 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -64.31 -49.22 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.343 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -16.89 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.624 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.62 ' HB2' ' HG ' ' X' ' 13' ' ' LEU . 48.3 tp -84.32 -29.11 26.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.149 0.499 . . . . 0.0 109.761 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' X' ' 22' ' ' LYS . . . -66.97 -16.22 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.563 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 pp -105.97 -30.03 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.626 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -69.97 -58.76 3.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.997 0.427 . . . . 0.0 110.983 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.52 HD12 HD11 ' X' ' 17' ' ' LEU . 83.5 mt -108.51 17.41 22.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . 0.471 ' HB3' ' H ' ' X' ' 23' ' ' LYS . 61.4 mttp 58.81 -154.82 0.36 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.487 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.471 ' H ' ' HB3' ' X' ' 22' ' ' LYS . 44.5 tptt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.585 -176.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' X' ' 2' ' ' LYS . 59.7 tptt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.765 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . 0.455 ' H ' ' HD2' ' X' ' 2' ' ' LYS . 9.0 mptt -78.81 -28.38 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.128 -174.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.14 -27.8 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -95.05 9.18 40.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.68 -2.96 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.104 0.478 . . . . 0.0 110.576 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . 0.52 ' O ' ' HD2' ' X' ' 10' ' ' PRO . . . -69.61 -41.3 75.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.476 -175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 23.6 tp -85.54 25.6 1.03 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.35 0.595 . . . . 0.0 110.453 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.96 -60.46 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.648 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.792 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 37.6 ttmt -75.33 -55.96 2.03 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -173.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 17.3 Cg_exo -69.48 -20.61 35.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.803 1.669 . . . . 0.0 112.218 176.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.41 1.97 2.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.426 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.23 -172.08 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.56 -58.3 8.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.699 0.285 . . . . 0.0 110.262 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -163.9 27.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 110.392 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -99.83 53.03 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.224 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.57 -52.7 2.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.685 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.05 8.92 40.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.047 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.5 70.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.513 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.21 -46.96 87.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -90.51 -16.09 29.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 110.373 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.95 -34.94 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -95.05 36.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.645 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.086 178.365 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.546 0.213 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -66.76 -56.66 9.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.383 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.27 100.16 9.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -82.17 45.2 0.91 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.04 -1.57 48.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 -174.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.76 -2.2 57.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.383 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -71.63 88.62 0.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.67 -15.45 0.63 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.241 -0.89 . . . . 0.0 113.272 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 86.6 tttt -70.63 -59.84 3.52 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.93 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.869 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 3.2 Cg_exo -82.78 -1.51 10.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.289 1.992 . . . . 0.0 112.032 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.14 32.43 17.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.755 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.17 114.29 27.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.105 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' X' ' 18' ' ' ALA . 87.0 mt 58.96 40.63 22.21 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.083 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -74.58 -73.38 0.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -141.99 -79.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.896 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.13 -2.66 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.489 0.661 . . . . 0.0 110.474 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.63 28.45 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.866 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' X' ' 13' ' ' LEU . . . -90.91 -30.45 16.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.723 174.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.75 -54.62 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.519 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 57.01 49.54 13.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.505 0.669 . . . . 0.0 110.402 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt 64.4 5.74 2.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -112.55 85.79 2.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.276 -177.608 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.656 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -89.97 87.77 7.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' X' ' 3' ' ' LEU . 1.7 pt? -136.72 97.11 3.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.383 0.611 . . . . 0.0 110.391 175.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -132.43 54.54 1.94 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.584 0.706 . . . . 0.0 109.556 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -151.97 87.2 1.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.529 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.82 -17.75 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.059 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt -84.2 49.76 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.73 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.25 -50.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.612 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.416 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 68.0 mttm -60.55 -52.29 73.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 74.3 Cg_endo -77.62 9.64 2.85 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.549 1.499 . . . . 0.0 112.461 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.62 39.95 17.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.142 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt 70.51 164.27 0.27 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.345 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.445 ' HB2' ' NZ ' ' X' ' 20' ' ' LYS . 6.9 mp 58.58 72.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.509 0.671 . . . . 0.0 109.446 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -93.09 0.25 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.669 -172.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -104.37 -40.82 5.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.652 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.45 66.69 8.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.789 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' X' ' 20' ' ' LYS . 83.0 mt -104.44 20.23 18.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.505 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 -52.37 50.37 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.952 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.22 11.04 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.227 0.537 . . . . 0.0 110.049 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' X' ' 17' ' ' LEU . 38.3 ttmt -93.59 -31.52 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.56 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' X' ' 17' ' ' LEU . 58.0 tp -87.81 -32.52 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -87.01 102.73 14.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.633 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.383 -175.794 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.651 0.262 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.36 -74.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.377 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.24 110.95 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.372 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -130.63 33.29 4.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.89 -10.41 59.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.03 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.57 -13.96 62.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.183 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -106.88 8.2 30.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.598 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.93 -46.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.383 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.558 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 39.5 ttmt -67.93 -54.42 16.7 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' PRO . . . . . 0.617 ' HB3' ' HB2' ' X' ' 16' ' ' ALA . 74.1 Cg_endo -79.95 -14.09 12.54 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.343 1.362 . . . . 0.0 112.361 177.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 71.51 -19.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 112.742 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -105.18 -166.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' LEU . . . . . 0.467 HD12 ' H ' ' X' ' 13' ' ' LEU . 6.2 mp -63.84 -61.15 2.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -158.54 75.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.347 0.594 . . . . 0.0 109.714 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -114.68 34.97 4.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' X' ' 10' ' ' PRO . . . -110.22 -70.14 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -110.06 66.32 0.63 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.408 0.623 . . . . 0.0 109.543 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.04 -85.22 0.58 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.731 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.15 59.57 1.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -85.39 -63.34 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.77 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.19 -25.35 11.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.87 109.99 12.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.187 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt . . . . . 0 C--O 1.238 0.457 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.026 0.441 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -99.9 114.8 28.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.6 mp -84.49 84.67 7.57 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.589 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' X' ' 4' ' ' LYS . 20.0 pttp -68.21 -9.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.495 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.768 HD23 ' H ' ' X' ' 5' ' ' LEU . 1.8 pt? -77.3 -0.26 24.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 111.007 178.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.83 -19.42 62.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.695 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -98.91 9.27 43.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.506 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -106.2 -51.85 2.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.564 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.66 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 46.0 mmtm -94.83 -55.57 0.22 Allowed Pre-proline 0 CA--C 1.536 0.404 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.66 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 35.2 Cg_exo -61.37 -29.75 86.18 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.094 1.862 . . . . 0.0 112.421 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.58 -4.95 51.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 tp -115.41 5.62 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.833 0.825 . . . . 0.0 109.676 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 tp -138.46 85.29 2.08 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.621 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 18.7 m-90 -78.13 -8.13 57.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.529 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -61.36 -42.29 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.166 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.529 ' O ' ' HE2' ' X' ' 20' ' ' LYS . . . -96.94 4.86 51.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.877 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.621 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 54.0 tp -105.34 -46.78 4.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.133 -177.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.53 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.058 0.456 . . . . 0.0 110.421 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mp -73.57 -16.01 61.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.371 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.529 ' HE2' ' O ' ' X' ' 16' ' ' ALA . 23.2 ttmm -79.9 -34.83 38.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 82.4 mt -67.68 -28.05 67.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.427 173.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -80.61 66.14 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.708 0.766 . . . . 0.0 109.035 172.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -90.43 -89.19 0.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.927 -174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -178.291 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.354 0.121 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' X' ' 2' ' ' LYS . 70.3 mmtt 50.39 73.99 0.24 Allowed 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.457 0.473 . . . . 0.0 111.962 -178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . 0.599 ' HA ' ' HB3' ' X' ' 6' ' ' ALA . 9.6 mp 65.31 33.11 9.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.726 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -82.48 -52.79 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 175.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.12 5.51 22.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.594 0.711 . . . . 0.0 109.835 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' X' ' 3' ' ' LEU . . . -65.99 -33.35 75.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.635 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' X' ' 14' ' ' TRP . 8.8 mp -84.64 17.66 2.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.997 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.24 -11.99 15.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.09 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.673 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 58.7 mttp -81.31 -54.63 0.69 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.298 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.673 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 84.2 Cg_endo -84.54 -9.74 8.99 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.822 1.681 . . . . 0.0 111.741 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 73.64 -28.37 0.19 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.809 0.844 . . . . 0.0 112.237 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' X' ' 10' ' ' PRO . 98.9 mt -93.08 -154.77 0.41 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' X' ' 14' ' ' TRP . 3.8 mm? -75.83 11.79 1.28 Allowed 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.478 ' HA ' ' HG3' ' X' ' 10' ' ' PRO . 72.1 t90 84.13 -50.93 0.12 Allowed 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.939 0.895 . . . . 0.0 109.337 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -87.8 -7.69 56.94 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.932 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.1 -23.93 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.066 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 25.8 tp -95.65 -13.31 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.193 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.12 -51.19 16.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.065 -177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.687 ' HA ' ' HB3' ' X' ' 22' ' ' LYS . 1.3 pp -77.38 9.8 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.686 -178.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -85.14 -38.2 19.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 74.7 mt -87.67 -21.24 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.303 0.573 . . . . 0.0 110.043 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.687 ' HB3' ' HA ' ' X' ' 19' ' ' LEU . 59.6 tptt -73.05 123.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.959 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -94.23 117.78 30.62 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.338 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.623 -0.703 . . . . 0.0 110.391 179.206 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 25.9 tttp . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -117.82 109.58 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 81.3 mt 68.52 -11.33 0.41 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 165.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -67.35 -27.98 67.58 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.04 -0.413 . . . . 0.0 111.394 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.733 ' HG ' ' HB2' ' X' ' 9' ' ' LYS . 24.0 tp -76.87 -2.32 32.86 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.18 0.514 . . . . 0.0 110.734 -176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.15 -15.49 61.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.101 0.477 . . . . 0.0 110.78 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mp -107.23 14.59 25.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.939 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.73 6.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.733 ' HB2' ' HG ' ' X' ' 5' ' ' LEU . 38.9 ttpt -123.86 -54.64 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.932 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 16.1 Cg_exo -69.91 -47.68 0.84 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.673 1.582 . . . . 0.0 110.611 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.34 -81.51 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -175.51 134.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.764 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 95.7 mt 53.32 36.56 23.13 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.527 0.517 . . . . 0.0 111.062 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -77.05 -20.25 56.1 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.54 -36.53 80.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.92 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.53 -10.97 47.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -91.18 -32.26 15.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.496 ' O ' ' HG3' ' X' ' 22' ' ' LYS . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.659 177.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.46 -23.78 66.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.22 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -84.05 -23.76 30.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.406 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.91 -9.58 55.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.617 177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' X' ' 18' ' ' ALA . 61.9 mttm -77.77 67.8 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.234 0.54 . . . . 0.0 110.63 177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -93.87 -8.28 40.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.036 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.89 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.529 177.848 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 53.44 43.63 31.06 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.511 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 23.4 tp -81.57 75.55 8.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.031 0.443 . . . . 0.0 110.977 -175.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtmm 64.96 29.87 12.12 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.699 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.4 tp 63.86 94.6 0.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.35 0.595 . . . . 0.0 111.216 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -121.44 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.212 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.5 tp -101.8 108.97 20.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.57 -0.4 3.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 123.503 0.721 . . . . 0.0 111.723 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.752 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 61.4 tttt -78.89 -55.58 0.95 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.944 178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 5.9 Cg_exo -78.59 -26.02 6.15 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 122.031 1.821 . . . . 0.0 112.609 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.83 -16.16 45.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 112.085 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -134.04 132.12 39.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.952 -176.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.549 ' HB3' ' HB3' ' X' ' 16' ' ' ALA . 8.0 mp 61.65 39.93 13.86 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.351 176.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -78.52 -22.85 46.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.52 18.7 8.18 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.935 173.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' X' ' 13' ' ' LEU . . . -121.66 -48.18 2.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.023 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 3.2 pp -88.71 -6.35 57.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.138 0.494 . . . . 0.0 110.628 -175.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.4 -36.82 4.19 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.146 177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' X' ' 23' ' ' LYS . 34.9 tp -75.49 -15.67 60.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.227 -177.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -88.82 -9.24 52.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.054 0.454 . . . . 0.0 110.346 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 53.1 tp -91.41 -40.56 11.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -121.87 83.44 2.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.433 172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 44.9 mttp -69.97 144.3 52.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.086 0.47 . . . . 0.0 111.42 -175.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.918 177.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' X' ' 2' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' X' ' 1' ' ' LYS . 31.8 mmtp 69.79 -71.89 0.12 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.552 0.532 . . . . 0.0 110.466 -172.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.0 103.84 5.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -76.95 -68.2 0.63 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.33 109.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.286 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -158.69 -45.45 0.06 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.613 ' HB3' HD11 ' X' ' 17' ' ' LEU . 99.2 mt -79.99 68.36 6.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.266 0.555 . . . . 0.0 110.159 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.52 -48.71 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.706 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 29.4 mmmt -59.31 -53.72 63.34 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.426 -0.806 . . . . 0.0 112.198 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 94.6 Cg_endo -79.73 -3.3 12.77 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 121.312 1.342 . . . . 0.0 113.305 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.14 22.86 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.321 0.581 . . . . 0.0 110.752 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 61.7 tp -81.66 114.91 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.984 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.664 ' O ' ' HG ' ' X' ' 17' ' ' LEU . 90.1 mt 60.97 29.45 19.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.196 177.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.449 ' HA ' HD12 ' X' ' 17' ' ' LEU . 4.6 t90 -73.63 -30.02 62.7 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -173.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.41 -21.39 64.68 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.676 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.86 -6.45 24.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.974 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' X' ' 13' ' ' LEU . 92.4 mt -84.34 -0.84 54.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.34 0.59 . . . . 0.0 110.073 -178.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -16.41 63.75 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.207 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.2 mt -116.02 33.92 5.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.992 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.433 ' HG3' ' HG ' ' X' ' 21' ' ' LEU . 62.1 pttt -64.33 -32.34 73.91 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.559 -176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' HG3' ' X' ' 20' ' ' LYS . 89.8 mt -104.9 -18.41 14.21 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.404 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 60.04 32.48 21.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.919 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 mttm 62.64 73.53 0.46 Allowed 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.522 -173.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.196 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.966 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -109.58 131.25 55.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.212 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.7 mp 68.37 115.73 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.783 0.677 . . . . 0.0 111.231 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -108.34 101.92 11.08 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.996 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.26 64.7 2.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.306 0.574 . . . . 0.0 111.484 -175.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.33 -18.09 2.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.34 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -99.75 61.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.051 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -177.45 -57.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.793 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 23.2 ttmm -56.1 -51.27 81.99 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -174.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 50.2 Cg_exo -55.16 -24.59 41.91 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 122.297 1.998 . . . . 0.0 113.106 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -97.91 -46.37 5.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' X' ' 12' ' ' LEU . 1.0 OUTLIER -87.3 97.06 10.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -174.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.62 ' HG ' ' HB2' ' X' ' 17' ' ' LEU . 29.0 tp 61.12 64.23 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.456 174.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -120.75 -55.01 2.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.767 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -64.31 -49.22 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.343 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -16.89 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.624 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.62 ' HB2' ' HG ' ' X' ' 13' ' ' LEU . 48.3 tp -84.32 -29.11 26.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.149 0.499 . . . . 0.0 109.761 -177.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.81 ' HB1' ' HB2' ' X' ' 24' ' ' ALA . . . -66.97 -16.22 64.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.563 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 pp -105.97 -30.03 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.626 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -69.97 -58.76 3.47 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.997 0.427 . . . . 0.0 110.983 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.52 HD12 HD11 ' X' ' 17' ' ' LEU . 83.5 mt -108.51 17.41 22.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 -177.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.471 ' HB3' ' H ' ' X' ' 23' ' ' LYS . 61.4 mttp 58.81 -154.82 0.36 Allowed 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.487 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.471 ' H ' ' HB3' ' X' ' 22' ' ' LYS . 44.5 tptt 67.93 72.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.585 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.81 ' HB2' ' HB1' ' X' ' 18' ' ' ALA . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.259 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.413 ' HB3' ' HD2' ' X' ' 2' ' ' LYS . 59.7 tptt . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.765 0.317 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.455 ' H ' ' HD2' ' X' ' 2' ' ' LYS . 9.0 mptt -78.81 -28.38 44.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.128 -174.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.14 -27.8 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -177.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -95.05 9.18 40.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.68 -2.96 9.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.104 0.478 . . . . 0.0 110.576 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.52 ' O ' ' HD2' ' X' ' 10' ' ' PRO . . . -69.61 -41.3 75.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.476 -175.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 23.6 tp -85.54 25.6 1.03 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.35 0.595 . . . . 0.0 110.453 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.96 -60.46 0.54 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.648 -177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.792 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 37.6 ttmt -75.33 -55.96 2.03 Favored Pre-proline 0 CA--C 1.534 0.361 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -173.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.792 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 17.3 Cg_exo -69.48 -20.61 35.94 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 121.803 1.669 . . . . 0.0 112.218 176.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.41 1.97 2.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.426 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -141.23 -172.08 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.56 -58.3 8.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.699 0.285 . . . . 0.0 110.262 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -163.9 27.6 0.08 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.364 0.602 . . . . 0.0 110.392 174.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -99.83 53.03 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.224 -174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.57 -52.7 2.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.685 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 92.3 mt -102.05 8.92 40.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.047 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.5 70.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.513 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -60.21 -46.96 87.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -90.51 -16.09 29.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 110.373 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -64.95 -34.94 79.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 174.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -95.05 36.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.645 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -117.31 102.03 8.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.086 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.338 -0.839 . . . . 0.0 109.485 178.529 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.546 0.213 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -66.76 -56.66 9.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.383 -177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.4 mp -106.27 100.16 9.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.119 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -82.17 45.2 0.91 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.04 -1.57 48.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 -174.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.76 -2.2 57.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.383 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 32.3 tp -71.63 88.62 0.96 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.461 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.67 -15.45 0.63 Allowed 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.241 -0.89 . . . . 0.0 113.272 173.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 86.6 tttt -70.63 -59.84 3.52 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.93 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.869 ' HD3' ' HB3' ' X' ' 9' ' ' LYS . 3.2 Cg_exo -82.78 -1.51 10.54 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.289 1.992 . . . . 0.0 112.032 177.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.14 32.43 17.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.755 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 55.0 tp -111.17 114.29 27.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.105 -177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' X' ' 18' ' ' ALA . 87.0 mt 58.96 40.63 22.21 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.083 173.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 t90 -74.58 -73.38 0.24 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -141.99 -79.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.896 171.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.13 -2.66 35.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.489 0.661 . . . . 0.0 110.474 176.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -94.63 28.45 2.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.294 -0.867 . . . . 0.0 109.866 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' X' ' 13' ' ' LEU . . . -90.91 -30.45 16.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.723 174.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mp -107.75 -54.62 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.519 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 tttm 57.01 49.54 13.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.505 0.669 . . . . 0.0 110.402 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.9 mt 64.4 5.74 2.75 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.133 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -112.55 85.79 2.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -68.83 -36.01 77.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.276 -177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.728 176.604 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 61.4 mttp . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.656 0.265 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 56.6 tttm -89.97 87.77 7.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.91 0.386 . . . . 0.0 110.806 -176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' X' ' 3' ' ' LEU . 1.7 pt? -136.72 97.11 3.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.383 0.611 . . . . 0.0 110.391 175.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -132.43 54.54 1.94 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.584 0.706 . . . . 0.0 109.556 178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.9 tp -151.97 87.2 1.33 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.529 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.82 -17.75 22.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.059 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 89.1 mt -84.2 49.76 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.73 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -170.25 -50.7 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.612 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.416 ' HB2' ' HD3' ' X' ' 10' ' ' PRO . 68.0 mttm -60.55 -52.29 73.8 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' X' ' 9' ' ' LYS . 74.3 Cg_endo -77.62 9.64 2.85 Favored 'Trans proline' 0 C--N 1.354 0.85 0 C-N-CA 121.549 1.499 . . . . 0.0 112.461 175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 60.62 39.95 17.16 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.142 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt 70.51 164.27 0.27 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.345 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.445 ' HB2' ' NZ ' ' X' ' 20' ' ' LYS . 6.9 mp 58.58 72.7 0.51 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.509 0.671 . . . . 0.0 109.446 -171.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -93.09 0.25 57.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.669 -172.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -104.37 -40.82 5.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.652 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.45 66.69 8.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.789 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' X' ' 20' ' ' LYS . 83.0 mt -104.44 20.23 18.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.505 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.9 -52.37 50.37 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.952 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 86.9 mt -118.22 11.04 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.227 0.537 . . . . 0.0 110.049 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.628 ' HB3' ' HA ' ' X' ' 17' ' ' LEU . 38.3 ttmt -93.59 -31.52 14.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.56 175.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' X' ' 17' ' ' LEU . 58.0 tp -87.81 -32.52 19.02 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 174.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -87.01 102.73 14.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.633 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -166.86 156.41 10.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.383 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.011 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.651 0.262 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -85.36 -74.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 110.377 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.24 110.95 7.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.372 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -130.63 33.29 4.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.605 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 77.7 mt -78.89 -10.41 59.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.03 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.57 -13.96 62.52 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.183 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 80.1 mt -106.88 8.2 30.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.598 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.93 -46.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.383 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.558 ' HB3' ' HD3' ' X' ' 10' ' ' PRO . 39.5 ttmt -67.93 -54.42 16.7 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' PRO . . . . . 0.617 ' HB3' ' HB2' ' X' ' 16' ' ' ALA . 74.1 Cg_endo -79.95 -14.09 12.54 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 121.343 1.362 . . . . 0.0 112.361 177.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 71.51 -19.18 0.26 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.74 0.816 . . . . 0.0 112.742 176.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -105.18 -166.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.467 HD12 ' H ' ' X' ' 13' ' ' LEU . 6.2 mp -63.84 -61.15 2.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.946 0.403 . . . . 0.0 110.356 -179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 62.1 t-105 -158.54 75.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.347 0.594 . . . . 0.0 109.714 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -114.68 34.97 4.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.289 177.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' X' ' 10' ' ' PRO . . . -110.22 -70.14 0.83 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.666 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tt -110.06 66.32 0.63 Allowed 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.408 0.623 . . . . 0.0 109.543 -175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.04 -85.22 0.58 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.731 175.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -99.15 59.57 1.16 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 174.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -85.39 -63.34 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.77 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 89.7 mt -107.19 -25.35 11.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.015 0.436 . . . . 0.0 110.809 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -77.87 109.99 12.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.187 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -76.77 115.85 16.91 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.751 -178.84 . . . . . . . . 0 0 . 1 stop_ save_