data_2l9a_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 2l9a _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 ' 14' ' ' TRP . . . . . . . . . . . . . 92.8 m95 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.962 0.411 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 32.6 mmmt -104.54 -34.47 8.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.44 63.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.542 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.66 -22.19 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.195 0.521 . . . . 0.0 109.767 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.83 60.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.799 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 96.2 mt -60.14 -45.43 93.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.548 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -76.2 -36.94 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.244 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.17 -27.64 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.8 -12.04 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.771 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.999 -177.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.565 ' HD1' ' HD3' ' X' ' 15' ' ' LYS . 54.0 t-105 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.612 0.244 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . 0.565 ' HD3' ' HD1' ' X' ' 14' ' ' TRP . 42.4 mmtm -58.6 -44.39 89.87 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -170.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.4 49.98 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.125 0.488 . . . . 0.0 111.651 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.2 tp -110.42 -77.63 0.59 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.44 -22.82 58.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.649 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.84 -7.52 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 111.0 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.97 -37.28 7.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.66 -36.06 20.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -105.45 9.61 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 N--CA 1.465 0.307 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.53 -177.821 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.55 -42.57 88.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -168.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.27 41.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.195 0.521 . . . . 0.0 111.353 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 tp -116.24 -71.81 0.72 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.4 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.956 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -80.96 -11.1 59.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.463 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.46 -27.01 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.61 -39.83 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.133 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -98.38 31.93 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.304 0.573 . . . . 0.0 110.741 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 174.173 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.259 0.552 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -87.47 31.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.226 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.8 33.84 14.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.894 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.05 -69.49 0.85 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.95 77.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.37 -23.79 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.38 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -106.61 -19.77 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.73 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 61.6 tp -88.84 -45.95 9.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -82.95 -25.18 32.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.546 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 C--N 1.327 -0.395 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.157 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' X' ' 19' ' ' LEU . 23.3 pttp -67.1 -16.69 64.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.939 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.47 -16.51 18.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 56.3 tp -84.22 -49.33 8.9 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.283 0.563 . . . . 0.0 109.757 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.94 57.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.519 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.481 ' HG ' ' HD2' ' X' ' 20' ' ' LYS . 47.7 tp -62.74 -52.27 63.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.889 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.481 ' HD2' ' HG ' ' X' ' 19' ' ' LEU . 2.1 mptm? -98.42 3.01 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 57.5 mt -95.47 -15.39 22.97 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.188 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -129.78 -39.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.062 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 178.007 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.477 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 16.4 m-90 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.58 -37.28 78.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.593 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' X' ' 20' ' ' LYS . . . -99.44 -10.55 22.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.477 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 62.5 tp -81.84 -34.61 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.28 -52.76 3.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.649 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 22.3 tp -77.99 -16.63 57.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.656 -168.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' X' ' 16' ' ' ALA . 43.4 mmtm -105.85 -0.29 25.35 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.512 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -110.34 -43.0 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.408 . . . . 0.0 110.158 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -82.66 -28.82 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.587 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 27.9 mmtp . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.42 -36.9 83.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.986 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.4 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.93 -38.6 53.1 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -33.52 72.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.247 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 46.9 tp -60.39 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.648 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.661 ' HZ1' ' HB3' ' X' ' 20' ' ' LYS . 9.7 mtpm? -88.36 5.79 40.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.363 -176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.52 -47.87 13.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.87 35.89 3.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.365 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 49.2 mttp . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 121.254 0.549 . . . . 0.0 110.982 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.455 ' HD1' HD23 ' X' ' 17' ' ' LEU . 20.2 t90 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.12 -56.91 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.49 39.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.511 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.455 HD23 ' HD1' ' X' ' 14' ' ' TRP . 64.9 tp -123.72 -55.99 1.7 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.705 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.21 -3.62 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.718 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.6 tp -91.2 -57.74 2.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.62 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.56 -0.74 57.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.89 -170.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 tp -100.46 10.25 41.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.662 0.744 . . . . 0.0 109.159 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.636 ' HB2' ' HZ3' ' X' ' 22' ' ' LYS . 5.1 ttmp? -124.09 -54.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.578 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 177.071 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 94.7 m95 . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.72 -9.57 44.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.662 0.268 . . . . 0.0 111.508 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.69 20.98 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 tp -123.63 -38.22 2.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.067 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -107.41 -16.8 14.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.76 -52.25 66.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -99.01 21.1 12.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.593 0.711 . . . . 0.0 109.834 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 61.7 tp -97.39 -35.35 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -91.29 23.65 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.78 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 N--CA 1.446 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.363 -175.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.69 -50.5 72.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.794 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.43 75.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.067 -171.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.5 -16.06 40.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.461 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 -43.43 18.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.339 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.64 -27.16 68.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 50.0 mttm -109.42 24.41 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.676 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 tp -86.27 -45.46 11.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 109.733 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -103.95 10.42 36.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.005 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 60.9 tttp . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.381 175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' X' ' 1' ' ' LYS . 30.7 mmtp . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 111.26 0.096 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -81.14 67.03 6.91 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.891 0.853 . . . . 0.0 111.448 -174.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -172.97 -34.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.889 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -109.03 -51.99 2.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.18 -10.44 59.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.17 0.51 . . . . 0.0 110.763 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.25 2.33 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.344 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.87 112.32 24.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.884 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . 0.64 ' HB1' ' HD2' ' X' ' 12' ' ' PRO . . . 68.87 2.31 3.48 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.317 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 70.7 -78.27 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.696 0.798 . . . . 0.0 111.599 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.48 4.4 41.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.52 66.56 5.11 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.743 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.64 ' HD2' ' HB1' ' X' ' 8' ' ' ALA . 12.4 Cg_endo -55.99 -30.77 79.51 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.92 -37.42 87.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -85.14 4.42 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 32.6 mmmt -104.54 -34.47 8.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.44 63.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.542 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.66 -22.19 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.195 0.521 . . . . 0.0 109.767 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.83 60.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.799 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 96.2 mt -60.14 -45.43 93.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.548 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -76.2 -36.94 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.244 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.17 -27.64 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.8 -12.04 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.771 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -109.24 -68.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.999 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.988 -176.331 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.632 0.73 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -137.51 165.22 26.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.042 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 79.9 mt 59.4 -102.13 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.762 0.664 . . . . 0.0 111.47 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -99.27 -2.59 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.314 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.81 -12.34 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.034 0.445 . . . . 0.0 110.13 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.25 12.9 23.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.848 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -106.42 -82.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.912 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.71 2.11 35.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -111.64 13.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.868 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' X' ' 12' ' ' PRO . 60.4 tp -159.44 -51.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.909 -176.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.17 71.84 0.89 Allowed Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.306 0.574 . . . . 0.0 110.898 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.493 ' HG3' HD21 ' X' ' 10' ' ' LEU . 13.7 Cg_exo -69.64 -22.0 33.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 123.252 2.635 . . . . 0.0 112.469 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.637 HD21 ' H ' ' X' ' 13' ' ' LEU . 2.6 pt? -74.63 -1.19 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.565 ' HD1' ' HD3' ' X' ' 15' ' ' LYS . 54.0 t-105 -121.13 -57.66 1.85 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.515 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.565 ' HD3' ' HD1' ' X' ' 14' ' ' TRP . 42.4 mmtm -58.6 -44.39 89.87 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -170.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.4 49.98 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.125 0.488 . . . . 0.0 111.651 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.2 tp -110.42 -77.63 0.59 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.44 -22.82 58.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.649 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.636 HD13 ' HA ' ' X' ' 24' ' ' ALA . 3.7 mm? -76.84 -7.52 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 111.0 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.97 -37.28 7.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.66 -36.06 20.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -105.45 9.61 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 66.81 174.26 0.25 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.53 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.636 ' HA ' HD13 ' X' ' 19' ' ' LEU . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.457 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' X' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.414 ' N ' ' HG2' ' X' ' 1' ' ' LYS . 26.6 mtpp -86.08 48.65 1.64 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.87 -84.58 0.65 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -126.06 -7.92 6.56 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.094 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' X' ' 9' ' ' LYS . 35.9 tp -71.62 -50.33 31.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.271 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.38 28.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.236 0.541 . . . . 0.0 110.334 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 50.9 tp -129.43 -56.03 1.16 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.945 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.9 30.65 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' X' ' 5' ' ' LEU . 39.0 ttmt -72.88 90.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.092 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp 69.49 3.4 4.17 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.02 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.75 72.92 68.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' X' ' 16' ' ' ALA . 7.6 Cg_exo -73.97 -12.39 23.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.274 2.649 . . . . 0.0 112.4 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 98.4 mt 67.29 -63.34 0.29 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.971 0.794 . . . . 0.0 111.601 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -109.04 -45.24 3.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.39 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -58.55 -42.57 88.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -168.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.718 ' HB2' ' HG2' ' X' ' 12' ' ' PRO . . . -144.27 41.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.195 0.521 . . . . 0.0 111.353 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 tp -116.24 -71.81 0.72 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.4 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.956 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 80.3 mt -80.96 -11.1 59.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.463 -176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.46 -27.01 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.61 -39.83 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.133 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -98.38 31.93 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.304 0.573 . . . . 0.0 110.741 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -131.8 -52.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.812 -178.452 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' X' ' 5' ' ' LEU . 23.3 pttm . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.341 0.591 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -96.56 -77.23 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.848 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 82.7 mt -89.93 -9.19 49.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.26 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -91.68 -22.6 20.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.256 0.55 . . . . 0.0 109.706 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.666 HD11 ' HD2' ' X' ' 15' ' ' LYS . 50.1 tp -88.18 -34.71 17.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.96 21.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.779 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.84 -49.68 60.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.325 0.584 . . . . 0.0 109.703 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . 0.424 ' HB3' ' HB1' ' X' ' 11' ' ' ALA . . . -149.58 -17.67 0.27 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.545 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 70.48 -63.05 0.42 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.309 0.644 . . . . 0.0 111.615 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 pp -86.09 7.43 24.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.071 -174.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' X' ' 15' ' ' LYS . . . -121.06 83.24 37.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.848 0.356 . . . . 0.0 111.547 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.3 -17.85 18.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.087 2.525 . . . . 0.0 112.476 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.747 HD22 ' H ' ' X' ' 13' ' ' LEU . 0.6 OUTLIER -55.11 -44.74 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -177.004 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.498 ' HD1' ' HG ' ' X' ' 13' ' ' LEU . 55.3 p-90 -115.0 12.77 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.259 0.552 . . . . 0.0 110.462 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.666 ' HD2' HD11 ' X' ' 5' ' ' LEU . 24.9 ttpp -87.47 31.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.226 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.8 33.84 14.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.894 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.05 -69.49 0.85 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.95 77.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.37 -23.79 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.38 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -106.61 -19.77 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.73 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 61.6 tp -88.84 -45.95 9.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -82.95 -25.18 32.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.546 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -111.34 132.44 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.683 176.56 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -66.53 -44.4 82.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.305 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -80.75 51.24 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.512 ' HB3' HD22 ' X' ' 5' ' ' LEU . 83.7 tttt -178.43 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.258 173.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' X' ' 4' ' ' LYS . 2.9 mm? -73.06 -29.98 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 -175.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.04 11.54 24.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.3 -34.4 2.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.466 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -26.34 65.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.702 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.88 59.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.427 0.632 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 66.36 19.46 10.98 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.029 -0.987 . . . . 0.0 113.195 171.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 55.08 76.05 0.55 Allowed Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.455 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.618 ' HA ' ' HE3' ' X' ' 15' ' ' LYS . 19.6 Cg_endo -58.02 -28.64 84.02 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.035 2.49 . . . . 0.0 113.336 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -81.58 -28.09 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.989 0.423 . . . . 0.0 110.608 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -85.85 -50.7 6.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.618 ' HE3' ' HA ' ' X' ' 12' ' ' PRO . 23.3 pttp -67.1 -16.69 64.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.939 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.47 -16.51 18.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 56.3 tp -84.22 -49.33 8.9 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.283 0.563 . . . . 0.0 109.757 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.94 57.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.519 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.481 ' HG ' ' HD2' ' X' ' 20' ' ' LYS . 47.7 tp -62.74 -52.27 63.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.889 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.481 ' HD2' ' HG ' ' X' ' 19' ' ' LEU . 2.1 mptm? -98.42 3.01 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 57.5 mt -95.47 -15.39 22.97 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.188 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -129.78 -39.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.062 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -95.23 89.9 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.769 -179.009 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 19.6 pttm . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 52.44 41.5 30.83 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.569 0.543 . . . . 0.0 111.972 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -146.9 -83.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.102 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' X' ' 4' ' ' LYS . 15.9 ptpt -91.9 -33.87 14.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.263 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' X' ' 9' ' ' LYS . 52.0 tp -68.97 -24.76 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.13 -13.6 62.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.8 tp -113.74 -28.0 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.072 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.21 17.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' X' ' 5' ' ' LEU . 29.6 mmmt -105.71 1.36 27.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.644 0.735 . . . . 0.0 109.136 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 87.3 mt -117.81 -50.45 2.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.849 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' X' ' 15' ' ' LYS . . . 45.44 53.31 12.03 Favored Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.953 0.783 . . . . 0.0 112.37 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.77 -36.52 23.83 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.124 1.883 . . . . 0.0 112.586 -170.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.16 -40.29 93.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.477 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 16.4 m-90 -86.23 -26.01 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.486 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' X' ' 11' ' ' ALA . 28.6 mtpp -59.58 -37.28 78.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.593 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' X' ' 20' ' ' LYS . . . -99.44 -10.55 22.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.477 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 62.5 tp -81.84 -34.61 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.28 -52.76 3.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.649 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 22.3 tp -77.99 -16.63 57.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.656 -168.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' X' ' 16' ' ' ALA . 43.4 mmtm -105.85 -0.29 25.35 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.512 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -110.34 -43.0 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.408 . . . . 0.0 110.158 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -82.66 -28.82 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.587 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 27.9 mmtp -106.89 137.75 44.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.066 176.818 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.524 ' HD3' ' H1 ' ' X' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.006 0.432 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -86.85 65.94 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 tp -166.01 -68.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.581 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.17 -53.75 5.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.28 -40.5 94.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.35 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.1 7.13 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.47 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 31.2 tp -129.45 7.07 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.526 0.679 . . . . 0.0 109.784 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.3 -33.38 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.677 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' X' ' 11' ' ' ALA . 75.3 mmtt -88.55 94.68 9.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 96.6 mt 72.57 -15.4 0.5 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.526 173.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . 0.581 ' HB1' ' HD3' ' X' ' 12' ' ' PRO . . . -57.81 -48.52 97.02 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.581 ' HD3' ' HB1' ' X' ' 11' ' ' ALA . 27.8 Cg_exo -65.02 -25.79 58.82 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.851 1.701 . . . . 0.0 111.981 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.404 ' N ' HD21 ' X' ' 13' ' ' LEU . 3.3 mm? -81.25 -14.82 57.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -61.18 -37.64 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.42 -36.9 83.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.986 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.4 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.93 -38.6 53.1 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -33.52 72.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.247 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.551 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 46.9 tp -60.39 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.648 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.661 ' HZ1' ' HB3' ' X' ' 20' ' ' LYS . 9.7 mtpm? -88.36 5.79 40.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.363 -176.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.52 -47.87 13.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.87 35.89 3.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.365 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.551 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 49.2 mttp -134.39 101.52 5.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.254 0.549 . . . . 0.0 110.982 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.378 177.017 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.418 ' HE3' HD21 ' X' ' 7' ' ' LEU . 8.5 ptpp? . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.864 0.364 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.81 109.01 0.94 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.432 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 87.5 mt 60.77 20.38 10.48 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.841 0.713 . . . . 0.0 110.775 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 12.18 2.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.681 -174.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.96 -43.78 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.75 50.05 1.73 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.396 171.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.418 HD21 ' HE3' ' X' ' 1' ' ' LYS . 53.1 tp -148.78 -67.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.968 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.03 39.93 1.03 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.526 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.535 ' O ' ' HD3' ' X' ' 12' ' ' PRO . 64.8 tttp -82.53 70.36 9.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.555 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp 65.22 22.3 12.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.856 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.6 64.7 6.99 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.303 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' X' ' 9' ' ' LYS . 44.1 Cg_endo -68.63 -31.82 25.57 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.142 1.895 . . . . 0.0 112.491 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.646 HD21 ' H ' ' X' ' 13' ' ' LEU . 2.5 pt? -77.73 -19.36 55.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.455 ' HD1' HD23 ' X' ' 17' ' ' LEU . 20.2 t90 -74.11 -30.24 62.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.12 -56.91 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.49 39.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.511 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.455 HD23 ' HD1' ' X' ' 14' ' ' TRP . 64.9 tp -123.72 -55.99 1.7 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.705 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.21 -3.62 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.718 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.6 tp -91.2 -57.74 2.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.62 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.56 -0.74 57.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.89 -170.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 tp -100.46 10.25 41.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.662 0.744 . . . . 0.0 109.159 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.636 ' HB2' ' HZ3' ' X' ' 22' ' ' LYS . 5.1 ttmp? -124.09 -54.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.578 177.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -134.47 175.37 9.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.052 178.575 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.938 0.399 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -87.74 53.49 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.809 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -121.1 -67.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.905 0.384 . . . . 0.0 110.264 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -124.04 -8.96 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.421 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.405 ' HB3' HD12 ' X' ' 10' ' ' LEU . 66.9 mt -81.35 -43.44 19.04 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.377 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.71 39.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.221 0.534 . . . . 0.0 110.868 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' X' ' 9' ' ' LYS . 4.1 tt -144.79 89.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.37 -34.44 0.27 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.776 0.83 . . . . 0.0 111.971 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' X' ' 7' ' ' LEU . 34.3 mmtp -70.89 -67.48 0.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.907 0.384 . . . . 0.0 111.106 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' X' ' 5' ' ' LEU . 76.5 mt -105.96 16.17 25.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.584 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . 0.42 ' N ' ' HD3' ' X' ' 12' ' ' PRO . . . -147.21 64.89 9.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.995 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' X' ' 11' ' ' ALA . 2.8 Cg_endo -86.19 16.17 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.081 2.521 . . . . 0.0 111.809 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.68 -37.95 18.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.782 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -61.26 -26.6 67.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.11 -173.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.72 -9.57 44.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.662 0.268 . . . . 0.0 111.508 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.69 20.98 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 61.1 tp -123.63 -38.22 2.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.067 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -107.41 -16.8 14.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.76 -52.25 66.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -99.01 21.1 12.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.593 0.711 . . . . 0.0 109.834 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 61.7 tp -97.39 -35.35 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -91.29 23.65 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.78 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.83 141.48 33.12 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.363 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.94 177.614 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 54.3 tttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.877 0.37 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -91.61 -74.3 0.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.707 0.289 . . . . 0.0 111.305 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . 0.51 ' O ' ' HD2' ' X' ' 4' ' ' LYS . 7.0 mp -83.83 32.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.51 ' HD2' ' O ' ' X' ' 3' ' ' LEU . 1.5 mptm? -137.06 -55.75 0.72 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 169.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.17 -41.5 99.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.616 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.19 12.14 3.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -115.28 -53.68 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -47.29 76.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 63.96 72.44 0.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.819 166.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt 72.26 26.14 2.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.504 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.48 101.53 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 123.889 0.743 . . . . 0.0 112.692 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.19 -20.13 33.19 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.624 2.216 . . . . 0.0 112.439 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.3 -39.34 86.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -72.85 -46.1 54.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.507 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.69 -50.5 72.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.794 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.43 75.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.067 -171.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.5 -16.06 40.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.461 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 -43.43 18.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.339 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.64 -27.16 68.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.566 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 50.0 mttm -109.42 24.41 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.676 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 tp -86.27 -45.46 11.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 109.733 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -103.95 10.42 36.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.005 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 60.9 tttp -160.27 116.16 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.381 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.439 -179.795 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 92.8 m95 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.962 0.411 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 32.6 mmmt -104.54 -34.47 8.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.44 63.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.542 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' X' ' 17' ' ' LEU . 4.3 mm? -78.66 -22.19 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.195 0.521 . . . . 0.0 109.767 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.83 60.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.799 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 96.2 mt -60.14 -45.43 93.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.548 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -76.2 -36.94 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.244 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.17 -27.64 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.8 -12.04 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.771 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.999 -177.879 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.575 ' HD1' ' HD3' ' X' ' 15' ' ' LYS . 54.0 t-105 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.612 0.244 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 15' ' ' LYS . . . . . 0.575 ' HD3' ' HD1' ' X' ' 14' ' ' TRP . 42.4 mmtm -58.6 -44.39 89.87 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -170.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.4 49.98 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.125 0.488 . . . . 0.0 111.651 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.2 tp -110.42 -77.63 0.59 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.44 -22.82 58.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.649 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.84 -7.52 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 111.0 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.97 -37.28 7.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.66 -36.06 20.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -105.45 9.61 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 N--CA 1.465 0.307 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.53 -177.821 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 15' ' ' LYS . . . . . 0.409 ' O ' HD12 ' X' ' 19' ' ' LEU . 61.3 tttm -58.55 -42.57 88.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -168.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.27 41.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.195 0.521 . . . . 0.0 111.353 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 tp -116.24 -71.81 0.72 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.4 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.956 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.409 HD12 ' O ' ' X' ' 15' ' ' LYS . 80.3 mt -80.96 -11.1 59.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.463 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.46 -27.01 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.61 -39.83 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.133 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -98.38 31.93 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.304 0.573 . . . . 0.0 110.741 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 174.173 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.259 0.552 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -87.47 31.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.226 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.8 33.84 14.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.894 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.05 -69.49 0.85 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.95 77.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.37 -23.79 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.38 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -106.61 -19.77 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.73 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 61.6 tp -88.84 -45.95 9.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -82.95 -25.18 32.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.546 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 C--N 1.327 -0.395 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.157 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' X' ' 19' ' ' LEU . 23.3 pttp -67.1 -16.69 64.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.939 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.47 -16.51 18.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 56.3 tp -84.22 -49.33 8.9 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.283 0.563 . . . . 0.0 109.757 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.94 57.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.519 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.506 ' HG ' ' HD2' ' X' ' 20' ' ' LYS . 47.7 tp -62.74 -52.27 63.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.889 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' HG ' ' X' ' 19' ' ' LEU . 2.1 mptm? -98.42 3.01 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 57.5 mt -95.47 -15.39 22.97 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.188 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -129.78 -39.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.062 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 178.007 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 16.4 m-90 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.58 -37.28 78.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.593 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 16' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' X' ' 20' ' ' LYS . . . -99.44 -10.55 22.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 62.5 tp -81.84 -34.61 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.28 -52.76 3.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.649 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 22.3 tp -77.99 -16.63 57.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.656 -168.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' X' ' 16' ' ' ALA . 43.4 mmtm -105.85 -0.29 25.35 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.512 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -110.34 -43.0 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.408 . . . . 0.0 110.158 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -82.66 -28.82 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.587 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 27.9 mmtp . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.42 -36.9 83.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.986 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.4 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.93 -38.6 53.1 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -33.52 72.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.247 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 46.9 tp -60.39 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.648 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -88.36 5.79 40.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.363 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.52 -47.87 13.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.87 35.89 3.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.365 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 49.2 mttp . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 121.254 0.549 . . . . 0.0 110.982 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.472 ' HD1' HD23 ' X' ' 17' ' ' LEU . 20.2 t90 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.12 -56.91 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.49 39.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.511 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.472 HD23 ' HD1' ' X' ' 14' ' ' TRP . 64.9 tp -123.72 -55.99 1.7 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.705 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.21 -3.62 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.718 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.6 tp -91.2 -57.74 2.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.62 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 34.2 mmtp -91.56 -0.74 57.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.89 -170.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 tp -100.46 10.25 41.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.662 0.744 . . . . 0.0 109.159 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -124.09 -54.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.578 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.415 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 94.7 m95 . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.72 -9.57 44.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.662 0.268 . . . . 0.0 111.508 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.69 20.98 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 61.1 tp -123.63 -38.22 2.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.067 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -107.41 -16.8 14.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.76 -52.25 66.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -99.01 21.1 12.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.593 0.711 . . . . 0.0 109.834 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 61.7 tp -97.39 -35.35 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -91.29 23.65 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.78 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 N--CA 1.446 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.363 -175.75 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.69 -50.5 72.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.794 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.43 75.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.067 -171.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.5 -16.06 40.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.461 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 -43.43 18.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.339 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.64 -27.16 68.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 50.0 mttm -109.42 24.41 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.676 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 tp -86.27 -45.46 11.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 109.733 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -103.95 10.42 36.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.005 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 23' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 60.9 tttp . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.381 175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' X' ' 1' ' ' LYS . 30.7 mmtp . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 111.26 0.096 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -81.14 67.03 6.91 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.891 0.853 . . . . 0.0 111.448 -174.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -172.97 -34.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.889 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -109.03 -51.99 2.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.18 -10.44 59.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.17 0.51 . . . . 0.0 110.763 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.25 2.33 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.344 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.87 112.32 24.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.884 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' X' ' 12' ' ' PRO . . . 68.87 2.31 3.48 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.317 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 70.7 -78.27 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.696 0.798 . . . . 0.0 111.599 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.48 4.4 41.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.52 66.56 5.11 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.743 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' X' ' 8' ' ' ALA . 12.4 Cg_endo -55.99 -30.77 79.51 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.92 -37.42 87.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -85.14 4.42 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 32.6 mmmt -104.54 -34.47 8.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.44 63.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.542 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' X' ' 17' ' ' LEU . 4.3 mm? -78.66 -22.19 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.195 0.521 . . . . 0.0 109.767 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.83 60.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.799 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 96.2 mt -60.14 -45.43 93.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.548 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -76.2 -36.94 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.244 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.17 -27.64 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.8 -12.04 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.771 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -109.24 -68.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.999 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.988 -176.331 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.632 0.73 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -137.51 165.22 26.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.042 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 79.9 mt 59.4 -102.13 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.762 0.664 . . . . 0.0 111.47 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -99.27 -2.59 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.314 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.81 -12.34 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.034 0.445 . . . . 0.0 110.13 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.25 12.9 23.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.848 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -106.42 -82.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.912 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.71 2.11 35.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -111.64 13.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.868 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.516 HD23 ' HG3' ' X' ' 12' ' ' PRO . 60.4 tp -159.44 -51.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.909 -176.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.17 71.84 0.89 Allowed Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.306 0.574 . . . . 0.0 110.898 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.516 ' HG3' HD23 ' X' ' 10' ' ' LEU . 13.7 Cg_exo -69.64 -22.0 33.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 123.252 2.635 . . . . 0.0 112.469 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.662 HD23 ' H ' ' X' ' 13' ' ' LEU . 2.6 pt? -74.63 -1.19 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.575 ' HD1' ' HD3' ' X' ' 15' ' ' LYS . 54.0 t-105 -121.13 -57.66 1.85 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.515 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.575 ' HD3' ' HD1' ' X' ' 14' ' ' TRP . 42.4 mmtm -58.6 -44.39 89.87 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -170.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.4 49.98 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.125 0.488 . . . . 0.0 111.651 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.2 tp -110.42 -77.63 0.59 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.44 -22.82 58.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.649 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' X' ' 24' ' ' ALA . 3.7 mm? -76.84 -7.52 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 111.0 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.97 -37.28 7.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.66 -36.06 20.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -105.45 9.61 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 66.81 174.26 0.25 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.53 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' X' ' 19' ' ' LEU . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.457 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' X' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.412 ' N ' ' HG2' ' X' ' 1' ' ' LYS . 26.6 mtpp -86.08 48.65 1.64 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.87 -84.58 0.65 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' X' ' 7' ' ' LEU . 22.1 pttm -126.06 -7.92 6.56 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.094 175.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' X' ' 9' ' ' LYS . 35.9 tp -71.62 -50.33 31.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.271 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.38 28.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.236 0.541 . . . . 0.0 110.334 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' X' ' 4' ' ' LYS . 50.9 tp -129.43 -56.03 1.16 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.945 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.9 30.65 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' X' ' 5' ' ' LEU . 39.0 ttmt -72.88 90.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.092 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp 69.49 3.4 4.17 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.02 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.75 72.92 68.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.745 ' HG2' ' HB3' ' X' ' 16' ' ' ALA . 7.6 Cg_exo -73.97 -12.39 23.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.274 2.649 . . . . 0.0 112.4 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' X' ' 17' ' ' LEU . 98.4 mt 67.29 -63.34 0.29 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.971 0.794 . . . . 0.0 111.601 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -109.04 -45.24 3.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.39 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.409 ' O ' HD12 ' X' ' 19' ' ' LEU . 61.3 tttm -58.55 -42.57 88.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -168.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.745 ' HB3' ' HG2' ' X' ' 12' ' ' PRO . . . -144.27 41.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.195 0.521 . . . . 0.0 111.353 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' X' ' 13' ' ' LEU . 56.1 tp -116.24 -71.81 0.72 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.4 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.956 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.409 HD12 ' O ' ' X' ' 15' ' ' LYS . 80.3 mt -80.96 -11.1 59.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.463 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.46 -27.01 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.61 -39.83 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.133 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -98.38 31.93 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.304 0.573 . . . . 0.0 110.741 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -131.8 -52.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.812 -178.452 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.515 ' HB2' ' HB2' ' X' ' 5' ' ' LEU . 23.3 pttm . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.341 0.591 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -96.56 -77.23 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.848 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 82.7 mt -89.93 -9.19 49.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.26 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -91.68 -22.6 20.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.256 0.55 . . . . 0.0 109.706 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' X' ' 15' ' ' LYS . 50.1 tp -88.18 -34.71 17.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.96 21.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.779 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.84 -49.68 60.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.325 0.584 . . . . 0.0 109.703 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' X' ' 11' ' ' ALA . . . -149.58 -17.67 0.27 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.545 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 70.48 -63.05 0.42 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.309 0.644 . . . . 0.0 111.615 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' X' ' 10' ' ' LEU . 2.5 pp -86.09 7.43 24.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.071 -174.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 11' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' X' ' 8' ' ' ALA . . . -121.06 83.24 37.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.848 0.356 . . . . 0.0 111.547 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' X' ' 15' ' ' LYS . 5.8 Cg_exo -75.3 -17.85 18.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.087 2.525 . . . . 0.0 112.476 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.821 HD23 ' H ' ' X' ' 13' ' ' LEU . 0.6 OUTLIER -55.11 -44.74 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -177.004 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.481 ' HD1' ' HG ' ' X' ' 13' ' ' LEU . 55.3 p-90 -115.0 12.77 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.259 0.552 . . . . 0.0 110.462 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.682 ' HD2' HD12 ' X' ' 5' ' ' LEU . 24.9 ttpp -87.47 31.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.226 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.8 33.84 14.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.894 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.05 -69.49 0.85 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.95 77.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.37 -23.79 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.38 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -106.61 -19.77 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.73 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 61.6 tp -88.84 -45.95 9.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -82.95 -25.18 32.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.546 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -111.34 132.44 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.683 176.56 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -66.53 -44.4 82.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.305 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -80.75 51.24 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.518 ' HB3' HD22 ' X' ' 5' ' ' LEU . 83.7 tttt -178.43 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.258 173.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' X' ' 4' ' ' LYS . 2.9 mm? -73.06 -29.98 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 -175.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.04 11.54 24.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.3 -34.4 2.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.466 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -26.34 65.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.702 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.88 59.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.427 0.632 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 66.36 19.46 10.98 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.029 -0.987 . . . . 0.0 113.195 171.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 55.08 76.05 0.55 Allowed Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.455 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.593 ' HA ' ' HE3' ' X' ' 15' ' ' LYS . 19.6 Cg_endo -58.02 -28.64 84.02 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.035 2.49 . . . . 0.0 113.336 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -81.58 -28.09 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.989 0.423 . . . . 0.0 110.608 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -85.85 -50.7 6.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' X' ' 12' ' ' PRO . 23.3 pttp -67.1 -16.69 64.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.939 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.47 -16.51 18.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 56.3 tp -84.22 -49.33 8.9 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.283 0.563 . . . . 0.0 109.757 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.94 57.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.519 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.506 ' HG ' ' HD2' ' X' ' 20' ' ' LYS . 47.7 tp -62.74 -52.27 63.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.889 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' HG ' ' X' ' 19' ' ' LEU . 2.1 mptm? -98.42 3.01 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 57.5 mt -95.47 -15.39 22.97 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.188 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -129.78 -39.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.062 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -95.23 89.9 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.769 -179.009 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 19.6 pttm . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 52.44 41.5 30.83 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.569 0.543 . . . . 0.0 111.972 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -146.9 -83.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.102 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' X' ' 4' ' ' LYS . 15.9 ptpt -91.9 -33.87 14.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.263 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.592 ' O ' ' HG2' ' X' ' 9' ' ' LYS . 52.0 tp -68.97 -24.76 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.13 -13.6 62.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.8 tp -113.74 -28.0 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.072 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.21 17.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' X' ' 5' ' ' LEU . 29.6 mmmt -105.71 1.36 27.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.644 0.735 . . . . 0.0 109.136 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 87.3 mt -117.81 -50.45 2.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.849 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' X' ' 15' ' ' LYS . . . 45.44 53.31 12.03 Favored Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.953 0.783 . . . . 0.0 112.37 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.77 -36.52 23.83 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.124 1.883 . . . . 0.0 112.586 -170.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.16 -40.29 93.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 16.4 m-90 -86.23 -26.01 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.486 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' X' ' 11' ' ' ALA . 28.6 mtpp -59.58 -37.28 78.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.593 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' X' ' 20' ' ' LYS . . . -99.44 -10.55 22.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 62.5 tp -81.84 -34.61 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.28 -52.76 3.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.649 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 22.3 tp -77.99 -16.63 57.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.656 -168.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' X' ' 16' ' ' ALA . 43.4 mmtm -105.85 -0.29 25.35 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.512 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -110.34 -43.0 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.408 . . . . 0.0 110.158 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -82.66 -28.82 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.587 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 27.9 mmtp -106.89 137.75 44.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.066 176.818 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' X' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.006 0.432 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -86.85 65.94 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 tp -166.01 -68.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.581 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.17 -53.75 5.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.28 -40.5 94.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.35 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.1 7.13 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.47 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 31.2 tp -129.45 7.07 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.526 0.679 . . . . 0.0 109.784 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.3 -33.38 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.677 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -88.55 94.68 9.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' X' ' 13' ' ' LEU . 96.6 mt 72.57 -15.4 0.5 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.526 173.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' X' ' 12' ' ' PRO . . . -57.81 -48.52 97.02 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' X' ' 11' ' ' ALA . 27.8 Cg_exo -65.02 -25.79 58.82 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.851 1.701 . . . . 0.0 111.981 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' X' ' 10' ' ' LEU . 3.3 mm? -81.25 -14.82 57.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -61.18 -37.64 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.42 -36.9 83.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.986 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.4 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.93 -38.6 53.1 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -33.52 72.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.247 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 46.9 tp -60.39 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.648 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -88.36 5.79 40.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.363 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.52 -47.87 13.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.87 35.89 3.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.365 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 49.2 mttp -134.39 101.52 5.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.254 0.549 . . . . 0.0 110.982 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.378 177.017 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.417 ' HE3' HD22 ' X' ' 7' ' ' LEU . 8.5 ptpp? . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.864 0.364 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.81 109.01 0.94 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.432 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 87.5 mt 60.77 20.38 10.48 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.841 0.713 . . . . 0.0 110.775 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 12.18 2.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.681 -174.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.96 -43.78 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.75 50.05 1.73 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.396 171.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' LEU . . . . . 0.417 HD22 ' HE3' ' X' ' 1' ' ' LYS . 53.1 tp -148.78 -67.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.968 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.03 39.93 1.03 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.526 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' X' ' 12' ' ' PRO . 64.8 tttp -82.53 70.36 9.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.555 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp 65.22 22.3 12.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.856 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.6 64.7 6.99 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.303 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' X' ' 9' ' ' LYS . 44.1 Cg_endo -68.63 -31.82 25.57 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.142 1.895 . . . . 0.0 112.491 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.733 HD23 ' H ' ' X' ' 13' ' ' LEU . 2.5 pt? -77.73 -19.36 55.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.472 ' HD1' HD23 ' X' ' 17' ' ' LEU . 20.2 t90 -74.11 -30.24 62.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.12 -56.91 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.49 39.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.511 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.472 HD23 ' HD1' ' X' ' 14' ' ' TRP . 64.9 tp -123.72 -55.99 1.7 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.705 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.21 -3.62 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.718 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.6 tp -91.2 -57.74 2.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.62 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 34.2 mmtp -91.56 -0.74 57.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.89 -170.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 tp -100.46 10.25 41.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.662 0.744 . . . . 0.0 109.159 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -124.09 -54.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.578 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 52.5 mtpt -134.47 175.37 9.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.052 178.575 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.938 0.399 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' X' ' 6' ' ' ALA . 51.7 mtmt -87.74 53.49 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.809 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -121.1 -67.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.905 0.384 . . . . 0.0 110.264 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -124.04 -8.96 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.421 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' X' ' 10' ' ' LEU . 66.9 mt -81.35 -43.44 19.04 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.377 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' X' ' 2' ' ' LYS . . . -80.71 39.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.221 0.534 . . . . 0.0 110.868 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tt -144.79 89.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.37 -34.44 0.27 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.776 0.83 . . . . 0.0 111.971 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.89 -67.48 0.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.907 0.384 . . . . 0.0 111.106 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' X' ' 5' ' ' LEU . 76.5 mt -105.96 16.17 25.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.584 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' X' ' 12' ' ' PRO . . . -147.21 64.89 9.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.995 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' X' ' 11' ' ' ALA . 2.8 Cg_endo -86.19 16.17 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.081 2.521 . . . . 0.0 111.809 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.68 -37.95 18.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.782 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.415 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 94.7 m95 -61.26 -26.6 67.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.11 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.72 -9.57 44.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.662 0.268 . . . . 0.0 111.508 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.69 20.98 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 61.1 tp -123.63 -38.22 2.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.067 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -107.41 -16.8 14.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.76 -52.25 66.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -99.01 21.1 12.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.593 0.711 . . . . 0.0 109.834 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 61.7 tp -97.39 -35.35 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -91.29 23.65 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.78 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.83 141.48 33.12 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.363 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.94 177.614 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 54.3 tttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.877 0.37 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.411 ' HB2' HD12 ' X' ' 3' ' ' LEU . 57.9 mttp -91.61 -74.3 0.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.707 0.289 . . . . 0.0 111.305 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 3' ' ' LEU . . . . . 0.508 ' O ' ' HD2' ' X' ' 4' ' ' LYS . 7.0 mp -83.83 32.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.508 ' HD2' ' O ' ' X' ' 3' ' ' LEU . 1.5 mptm? -137.06 -55.75 0.72 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 169.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.17 -41.5 99.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.616 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.19 12.14 3.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -115.28 -53.68 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -47.29 76.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 63.96 72.44 0.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.819 166.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt 72.26 26.14 2.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.504 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.48 101.53 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 123.889 0.743 . . . . 0.0 112.692 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.19 -20.13 33.19 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.624 2.216 . . . . 0.0 112.439 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.3 -39.34 86.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -72.85 -46.1 54.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.507 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.69 -50.5 72.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.794 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.43 75.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.067 -171.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.5 -16.06 40.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.461 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 -43.43 18.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.339 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.64 -27.16 68.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 50.0 mttm -109.42 24.41 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.676 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 tp -86.27 -45.46 11.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 109.733 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -103.95 10.42 36.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.005 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 60.9 tttp -160.27 116.16 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.381 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.439 -179.795 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 92.8 m95 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.962 0.411 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 32.6 mmmt -104.54 -34.47 8.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.44 63.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.542 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' X' ' 17' ' ' LEU . 4.3 mm? -78.66 -22.19 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.195 0.521 . . . . 0.0 109.767 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.83 60.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.799 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 96.2 mt -60.14 -45.43 93.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.548 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -76.2 -36.94 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.244 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.17 -27.64 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.8 -12.04 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.771 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.999 -177.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.575 ' HD1' ' HD3' ' X' ' 15' ' ' LYS . 54.0 t-105 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.612 0.244 . . . . 0.0 110.515 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . 0.575 ' HD3' ' HD1' ' X' ' 14' ' ' TRP . 42.4 mmtm -58.6 -44.39 89.87 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -170.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.4 49.98 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.125 0.488 . . . . 0.0 111.651 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.2 tp -110.42 -77.63 0.59 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.44 -22.82 58.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.649 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.84 -7.52 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 111.0 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.97 -37.28 7.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.66 -36.06 20.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -105.45 9.61 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 N--CA 1.465 0.307 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.53 -177.821 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.792 0.329 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . 0.409 ' O ' HD12 ' X' ' 19' ' ' LEU . 61.3 tttm -58.55 -42.57 88.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -168.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -144.27 41.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.195 0.521 . . . . 0.0 111.353 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 56.1 tp -116.24 -71.81 0.72 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.4 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.956 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.409 HD12 ' O ' ' X' ' 15' ' ' LYS . 80.3 mt -80.96 -11.1 59.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.463 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.46 -27.01 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.61 -39.83 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.133 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -98.38 31.93 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.304 0.573 . . . . 0.0 110.741 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 174.173 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 121.259 0.552 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -87.47 31.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.226 176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.8 33.84 14.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.894 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.05 -69.49 0.85 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.95 77.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.37 -23.79 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.38 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -106.61 -19.77 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.73 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 61.6 tp -88.84 -45.95 9.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -82.95 -25.18 32.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.546 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 C--N 1.327 -0.395 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.157 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 88.2 t90 . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' X' ' 19' ' ' LEU . 23.3 pttp -67.1 -16.69 64.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.939 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.47 -16.51 18.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 56.3 tp -84.22 -49.33 8.9 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.283 0.563 . . . . 0.0 109.757 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.94 57.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.519 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.506 ' HG ' ' HD2' ' X' ' 20' ' ' LYS . 47.7 tp -62.74 -52.27 63.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.889 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' HG ' ' X' ' 19' ' ' LEU . 2.1 mptm? -98.42 3.01 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 57.5 mt -95.47 -15.39 22.97 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.188 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -129.78 -39.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.062 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 178.007 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 16.4 m-90 . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -59.58 -37.28 78.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.593 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' X' ' 20' ' ' LYS . . . -99.44 -10.55 22.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 62.5 tp -81.84 -34.61 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.28 -52.76 3.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.649 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 22.3 tp -77.99 -16.63 57.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.656 -168.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' X' ' 16' ' ' ALA . 43.4 mmtm -105.85 -0.29 25.35 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.512 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -110.34 -43.0 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.408 . . . . 0.0 110.158 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -82.66 -28.82 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.587 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 27.9 mmtp . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.42 -36.9 83.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.986 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.4 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.93 -38.6 53.1 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -33.52 72.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.247 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 46.9 tp -60.39 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.648 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -88.36 5.79 40.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.363 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.52 -47.87 13.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.87 35.89 3.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.365 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 49.2 mttp . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 121.254 0.549 . . . . 0.0 110.982 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.472 ' HD1' HD23 ' X' ' 17' ' ' LEU . 20.2 t90 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.862 0.363 . . . . 0.0 110.135 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.12 -56.91 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.49 39.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.511 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.472 HD23 ' HD1' ' X' ' 14' ' ' TRP . 64.9 tp -123.72 -55.99 1.7 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.705 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.21 -3.62 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.718 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.6 tp -91.2 -57.74 2.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.62 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 34.2 mmtp -91.56 -0.74 57.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.89 -170.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 tp -100.46 10.25 41.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.662 0.744 . . . . 0.0 109.159 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -124.09 -54.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.578 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 52.5 mtpt . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.415 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 94.7 m95 . . . . . 0 N--CA 1.462 0.136 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.72 -9.57 44.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.662 0.268 . . . . 0.0 111.508 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.69 20.98 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 61.1 tp -123.63 -38.22 2.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.067 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -107.41 -16.8 14.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.76 -52.25 66.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -99.01 21.1 12.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.593 0.711 . . . . 0.0 109.834 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 61.7 tp -97.39 -35.35 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -91.29 23.65 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.78 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 N--CA 1.446 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.363 -175.75 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.769 0.319 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.69 -50.5 72.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.794 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.43 75.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.067 -171.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.5 -16.06 40.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.461 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 -43.43 18.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.339 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.64 -27.16 68.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 50.0 mttm -109.42 24.41 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.676 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 tp -86.27 -45.46 11.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 109.733 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -103.95 10.42 36.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.005 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 60.9 tttp . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.381 175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' X' ' 1' ' ' LYS . 30.7 mmtp . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 111.26 0.096 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -81.14 67.03 6.91 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.891 0.853 . . . . 0.0 111.448 -174.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -172.97 -34.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.889 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -109.03 -51.99 2.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.996 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.18 -10.44 59.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.17 0.51 . . . . 0.0 110.763 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.25 2.33 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.344 177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.87 112.32 24.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.884 -177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . 0.729 ' HB1' ' HD2' ' X' ' 12' ' ' PRO . . . 68.87 2.31 3.48 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.317 -178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 70.7 -78.27 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.696 0.798 . . . . 0.0 111.599 175.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.48 4.4 41.18 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 51.52 66.56 5.11 Favored Pre-proline 0 N--CA 1.464 0.259 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.743 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.729 ' HD2' ' HB1' ' X' ' 8' ' ' ALA . 12.4 Cg_endo -55.99 -30.77 79.51 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.128 2.552 . . . . 0.0 113.126 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.92 -37.42 87.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.007 0.432 . . . . 0.0 110.778 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -85.14 4.42 34.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 32.6 mmmt -104.54 -34.47 8.2 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.35 -41.44 63.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.542 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' X' ' 17' ' ' LEU . 4.3 mm? -78.66 -22.19 47.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.195 0.521 . . . . 0.0 109.767 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.31 -21.83 60.48 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.799 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 96.2 mt -60.14 -45.43 93.04 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.548 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -76.2 -36.94 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.244 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.17 -27.64 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 110.786 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -80.8 -12.04 59.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.771 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -109.24 -68.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.999 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.3 0 CA-C-O 118.66 -0.686 . . . . 0.0 109.988 -176.331 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 121.632 0.73 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -137.51 165.22 26.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.042 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 79.9 mt 59.4 -102.13 0.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 O-C-N 123.762 0.664 . . . . 0.0 111.47 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -99.27 -2.59 36.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 111.314 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.81 -12.34 59.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.034 0.445 . . . . 0.0 110.13 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -110.25 12.9 23.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.848 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -106.42 -82.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.912 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.71 2.11 35.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.255 -175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -111.64 13.56 21.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.868 -178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.516 HD23 ' HG3' ' X' ' 12' ' ' PRO . 60.4 tp -159.44 -51.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.909 -176.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 59.17 71.84 0.89 Allowed Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.306 0.574 . . . . 0.0 110.898 -175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.516 ' HG3' HD23 ' X' ' 10' ' ' LEU . 13.7 Cg_exo -69.64 -22.0 33.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 123.252 2.635 . . . . 0.0 112.469 -176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.662 ' H ' HD23 ' X' ' 13' ' ' LEU . 2.6 pt? -74.63 -1.19 20.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.575 ' HD1' ' HD3' ' X' ' 15' ' ' LYS . 54.0 t-105 -121.13 -57.66 1.85 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.515 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.575 ' HD3' ' HD1' ' X' ' 14' ' ' TRP . 42.4 mmtm -58.6 -44.39 89.87 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -170.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -138.4 49.98 1.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.125 0.488 . . . . 0.0 111.651 -173.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 45.2 tp -110.42 -77.63 0.59 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.44 -22.82 58.93 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.649 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' X' ' 24' ' ' ALA . 3.7 mm? -76.84 -7.52 55.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.946 0.403 . . . . 0.0 111.0 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -104.97 -37.28 7.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mp -85.66 -36.06 20.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.21 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -105.45 9.61 33.55 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 66.81 174.26 0.25 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.53 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' X' ' 19' ' ' LEU . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.457 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' X' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.412 ' N ' ' HG2' ' X' ' 1' ' ' LYS . 26.6 mtpp -86.08 48.65 1.64 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -170.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mp -117.87 -84.58 0.65 Allowed 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' X' ' 7' ' ' LEU . 22.1 pttm -126.06 -7.92 6.56 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.094 175.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' X' ' 9' ' ' LYS . 35.9 tp -71.62 -50.33 31.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 110.271 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.38 28.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.236 0.541 . . . . 0.0 110.334 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.411 ' HB3' ' HA ' ' X' ' 4' ' ' LYS . 50.9 tp -129.43 -56.03 1.16 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.945 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.9 30.65 2.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.652 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' X' ' 5' ' ' LEU . 39.0 ttmt -72.88 90.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.092 -178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp 69.49 3.4 4.17 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.02 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.75 72.92 68.19 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.395 178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.745 ' HG2' ' HB3' ' X' ' 16' ' ' ALA . 7.6 Cg_exo -73.97 -12.39 23.78 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 123.274 2.649 . . . . 0.0 112.4 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' X' ' 17' ' ' LEU . 98.4 mt 67.29 -63.34 0.29 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.971 0.794 . . . . 0.0 111.601 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 t-105 -109.04 -45.24 3.81 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.39 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.409 ' O ' HD12 ' X' ' 19' ' ' LEU . 61.3 tttm -58.55 -42.57 88.16 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -168.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.745 ' HB3' ' HG2' ' X' ' 12' ' ' PRO . . . -144.27 41.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.195 0.521 . . . . 0.0 111.353 -176.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.4 ' HB3' ' O ' ' X' ' 13' ' ' LEU . 56.1 tp -116.24 -71.81 0.72 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.4 65.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.956 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.409 HD12 ' O ' ' X' ' 15' ' ' LYS . 80.3 mt -80.96 -11.1 59.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.463 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.46 -27.01 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.779 0.323 . . . . 0.0 110.805 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.61 -39.83 74.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.133 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -98.38 31.93 2.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.304 0.573 . . . . 0.0 110.741 -177.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -131.8 -52.74 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.812 -178.452 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.515 ' HB2' ' HB2' ' X' ' 5' ' ' LEU . 23.3 pttm . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.341 0.591 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -96.56 -77.23 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.848 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 82.7 mt -89.93 -9.19 49.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.26 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -91.68 -22.6 20.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.256 0.55 . . . . 0.0 109.706 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.682 HD12 ' HD2' ' X' ' 15' ' ' LYS . 50.1 tp -88.18 -34.71 17.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.96 21.9 0.83 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.779 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -67.84 -49.68 60.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.325 0.584 . . . . 0.0 109.703 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' X' ' 11' ' ' ALA . . . -149.58 -17.67 0.27 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.333 -0.848 . . . . 0.0 111.545 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 96.9 mttt 70.48 -63.05 0.42 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.309 0.644 . . . . 0.0 111.615 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.442 ' H ' ' HG ' ' X' ' 10' ' ' LEU . 2.5 pp -86.09 7.43 24.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.071 -174.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' X' ' 8' ' ' ALA . . . -121.06 83.24 37.88 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.848 0.356 . . . . 0.0 111.547 -176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' X' ' 15' ' ' LYS . 5.8 Cg_exo -75.3 -17.85 18.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.087 2.525 . . . . 0.0 112.476 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.821 ' H ' HD23 ' X' ' 13' ' ' LEU . 0.6 OUTLIER -55.11 -44.74 75.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -177.004 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.481 ' HD1' ' HG ' ' X' ' 13' ' ' LEU . 55.3 p-90 -115.0 12.77 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.259 0.552 . . . . 0.0 110.462 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.682 ' HD2' HD12 ' X' ' 5' ' ' LEU . 24.9 ttpp -87.47 31.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.226 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . 62.8 33.84 14.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.803 -1.089 . . . . 0.0 111.894 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 tp -108.05 -69.49 0.85 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 173.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.88 -34.95 77.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.303 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 tp -67.37 -23.79 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.38 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -106.61 -19.77 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 0.0 110.73 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 61.6 tp -88.84 -45.95 9.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.759 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -82.95 -25.18 32.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.546 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -111.34 132.44 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.371 -0.823 . . . . 0.0 109.683 176.56 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 37.2 mmtm -66.53 -44.4 82.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.305 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -80.75 51.24 1.47 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.518 ' HB3' HD22 ' X' ' 5' ' ' LEU . 83.7 tttt -178.43 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.258 173.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' X' ' 4' ' ' LYS . 2.9 mm? -73.06 -29.98 63.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.987 -175.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -92.04 11.54 24.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.86 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 91.7 mt -124.3 -34.4 2.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.466 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.85 -26.34 65.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.702 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -85.88 59.79 5.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.427 0.632 . . . . 0.0 110.672 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 66.36 19.46 10.98 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.029 -0.987 . . . . 0.0 113.195 171.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 55.08 76.05 0.55 Allowed Pre-proline 0 CA--C 1.531 0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.455 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.593 ' HA ' ' HE3' ' X' ' 15' ' ' LYS . 19.6 Cg_endo -58.02 -28.64 84.02 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.035 2.49 . . . . 0.0 113.336 -175.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 tp -81.58 -28.09 33.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.989 0.423 . . . . 0.0 110.608 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -85.85 -50.7 6.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.032 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' X' ' 12' ' ' PRO . 23.3 pttp -67.1 -16.69 64.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.939 -173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.47 -16.51 18.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.672 0.272 . . . . 0.0 111.392 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 56.3 tp -84.22 -49.33 8.9 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.283 0.563 . . . . 0.0 109.757 -175.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.54 -14.94 57.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.519 -175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.506 ' HG ' ' HD2' ' X' ' 20' ' ' LYS . 47.7 tp -62.74 -52.27 63.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.889 -178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' HG ' ' X' ' 19' ' ' LEU . 2.1 mptm? -98.42 3.01 48.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 57.5 mt -95.47 -15.39 22.97 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.188 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -129.78 -39.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.062 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -95.23 89.9 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 110.154 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.769 -179.009 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 19.6 pttm . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.527 -0.175 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 52.44 41.5 30.83 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.569 0.543 . . . . 0.0 111.972 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 58.5 tp -146.9 -83.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.102 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' X' ' 4' ' ' LYS . 15.9 ptpt -91.9 -33.87 14.73 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.263 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.592 ' O ' ' HG2' ' X' ' 9' ' ' LYS . 52.0 tp -68.97 -24.76 64.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.986 177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.13 -13.6 62.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 46.8 tp -113.74 -28.0 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.072 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.59 -1.21 17.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.215 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' X' ' 5' ' ' LEU . 29.6 mmmt -105.71 1.36 27.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.644 0.735 . . . . 0.0 109.136 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 87.3 mt -117.81 -50.45 2.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.012 -0.995 . . . . 0.0 108.849 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . 0.647 ' O ' ' HG3' ' X' ' 15' ' ' LYS . . . 45.44 53.31 12.03 Favored Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.953 0.783 . . . . 0.0 112.37 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.77 -36.52 23.83 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.124 1.883 . . . . 0.0 112.586 -170.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.16 -40.29 93.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 -178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 16.4 m-90 -86.23 -26.01 25.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.486 -172.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' X' ' 11' ' ' ALA . 28.6 mtpp -59.58 -37.28 78.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.912 0.387 . . . . 0.0 110.593 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' X' ' 20' ' ' LYS . . . -99.44 -10.55 22.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.181 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 62.5 tp -81.84 -34.61 30.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.28 -52.76 3.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.649 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 22.3 tp -77.99 -16.63 57.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.656 -168.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' X' ' 16' ' ' ALA . 43.4 mmtm -105.85 -0.29 25.35 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.512 178.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 56.4 tp -110.34 -43.0 3.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.958 0.408 . . . . 0.0 110.158 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -82.66 -28.82 30.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.587 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 27.9 mmtp -106.89 137.75 44.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.066 176.818 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' X' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.006 0.432 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -86.85 65.94 9.22 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 tp -166.01 -68.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.581 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -84.17 -53.75 5.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.999 0.428 . . . . 0.0 110.641 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.28 -40.5 94.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.35 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.1 7.13 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.47 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 31.2 tp -129.45 7.07 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.526 0.679 . . . . 0.0 109.784 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -119.3 -33.38 4.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.677 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -88.55 94.68 9.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.787 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' X' ' 13' ' ' LEU . 96.6 mt 72.57 -15.4 0.5 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.526 173.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . 0.568 ' HB3' ' HD3' ' X' ' 12' ' ' PRO . . . -57.81 -48.52 97.02 Favored Pre-proline 0 CA--C 1.537 0.456 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.568 ' HD3' ' HB3' ' X' ' 11' ' ' ALA . 27.8 Cg_exo -65.02 -25.79 58.82 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 121.851 1.701 . . . . 0.0 111.981 174.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' X' ' 10' ' ' LEU . 3.3 mm? -81.25 -14.82 57.05 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.947 -177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -61.18 -37.64 83.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -66.42 -36.9 83.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.986 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.26 -23.4 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.922 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 tp -76.93 -38.6 53.1 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.98 -33.52 72.17 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.247 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' X' ' 23' ' ' LYS . 46.9 tp -60.39 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.648 177.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -88.36 5.79 40.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.363 -176.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 54.1 tp -80.52 -47.87 13.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.122 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -132.87 35.89 3.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.365 -175.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' X' ' 19' ' ' LEU . 49.2 mttp -134.39 101.52 5.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.254 0.549 . . . . 0.0 110.982 177.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.378 177.017 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.417 ' HE3' HD22 ' X' ' 7' ' ' LEU . 8.5 ptpp? . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.864 0.364 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.81 109.01 0.94 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.432 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 87.5 mt 60.77 20.38 10.48 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.841 0.713 . . . . 0.0 110.775 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.4 12.18 2.57 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.681 -174.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 52.6 tp -85.96 -43.78 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.75 50.05 1.73 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.396 171.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . 0.417 HD22 ' HE3' ' X' ' 1' ' ' LYS . 53.1 tp -148.78 -67.78 0.22 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.968 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.03 39.93 1.03 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.526 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.529 ' O ' ' HD3' ' X' ' 12' ' ' PRO . 64.8 tttp -82.53 70.36 9.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.555 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mp 65.22 22.3 12.16 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.856 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 52.6 64.7 6.99 Favored Pre-proline 0 N--CA 1.466 0.344 0 CA-C-N 115.44 -0.8 . . . . 0.0 112.303 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' X' ' 9' ' ' LYS . 44.1 Cg_endo -68.63 -31.82 25.57 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.142 1.895 . . . . 0.0 112.491 -175.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.733 ' H ' HD23 ' X' ' 13' ' ' LEU . 2.5 pt? -77.73 -19.36 55.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.795 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.472 ' HD1' HD23 ' X' ' 17' ' ' LEU . 20.2 t90 -74.11 -30.24 62.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.135 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -55.12 -56.91 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.194 174.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.49 39.32 0.94 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 110.511 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.472 HD23 ' HD1' ' X' ' 14' ' ' TRP . 64.9 tp -123.72 -55.99 1.7 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.705 176.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.21 -3.62 53.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.718 -175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 58.6 tp -91.2 -57.74 2.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.62 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 34.2 mmtp -91.56 -0.74 57.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.89 -170.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 35.0 tp -100.46 10.25 41.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.662 0.744 . . . . 0.0 109.159 173.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmp? -124.09 -54.8 1.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.578 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 52.5 mtpt -134.47 175.37 9.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.067 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.337 -0.839 . . . . 0.0 110.052 178.575 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.938 0.399 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' X' ' 6' ' ' ALA . 51.7 mtmt -87.74 53.49 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.809 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -121.1 -67.85 0.94 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.905 0.384 . . . . 0.0 110.264 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -124.04 -8.96 7.7 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.421 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' X' ' 10' ' ' LEU . 66.9 mt -81.35 -43.44 19.04 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.377 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' X' ' 2' ' ' LYS . . . -80.71 39.75 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.221 0.534 . . . . 0.0 110.868 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tt -144.79 89.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.37 -34.44 0.27 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.776 0.83 . . . . 0.0 111.971 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.89 -67.48 0.5 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.907 0.384 . . . . 0.0 111.106 -177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' X' ' 5' ' ' LEU . 76.5 mt -105.96 16.17 25.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.584 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' X' ' 12' ' ' PRO . . . -147.21 64.89 9.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.995 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' X' ' 11' ' ' ALA . 2.8 Cg_endo -86.19 16.17 2.03 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.081 2.521 . . . . 0.0 111.809 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 86.4 mt -85.68 -37.95 18.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.782 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.415 ' HA ' ' HB3' ' X' ' 17' ' ' LEU . 94.7 m95 -61.26 -26.6 67.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.98 -0.554 . . . . 0.0 112.11 -173.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.72 -9.57 44.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.662 0.268 . . . . 0.0 111.508 -177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.69 20.98 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.356 174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.415 ' HB3' ' HA ' ' X' ' 14' ' ' TRP . 61.1 tp -123.63 -38.22 2.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.067 177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -107.41 -16.8 14.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 55.5 tp -58.76 -52.25 66.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 0.0 110.984 -177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -99.01 21.1 12.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.593 0.711 . . . . 0.0 109.834 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.454 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 61.7 tp -97.39 -35.35 10.72 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 175.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -91.29 23.65 3.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.78 177.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -141.83 141.48 33.12 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.363 -175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.38 -0.819 . . . . 0.0 109.94 177.614 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 54.3 tttm . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.877 0.37 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.411 ' HB2' HD12 ' X' ' 3' ' ' LEU . 57.9 mttp -91.61 -74.3 0.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.707 0.289 . . . . 0.0 111.305 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . 0.508 ' O ' ' HD2' ' X' ' 4' ' ' LYS . 7.0 mp -83.83 32.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -169.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.508 ' HD2' ' O ' ' X' ' 3' ' ' LEU . 1.5 mptm? -137.06 -55.75 0.72 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 169.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.17 -41.5 99.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.616 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.19 12.14 3.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' LEU . . . . . . . . . . . . . 38.0 mt -115.28 -53.68 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.4 -47.29 76.82 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 173.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 58.7 tttm 63.96 72.44 0.46 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.819 166.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 91.4 mt 72.26 26.14 2.75 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.504 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . 65.48 101.53 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.509 0 O-C-N 123.889 0.743 . . . . 0.0 112.692 173.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.19 -20.13 33.19 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.624 2.216 . . . . 0.0 112.439 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.3 -39.34 86.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.062 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 76.2 t-105 -72.85 -46.1 54.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.507 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.69 -50.5 72.22 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.794 -174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.52 -34.43 75.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 112.067 -171.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.5 -16.06 40.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.461 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.65 -43.43 18.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.339 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.64 -27.16 68.18 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.864 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' X' ' 23' ' ' LYS . 50.0 mttm -109.42 24.41 13.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.676 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 58.3 tp -86.27 -45.46 11.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.242 0.544 . . . . 0.0 109.733 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -103.95 10.42 36.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.005 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.572 ' O ' ' HA ' ' X' ' 20' ' ' LYS . 60.9 tttp -160.27 116.16 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.381 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.439 -179.795 . . . . . . . . 0 0 . 1 stop_ save_