data_2ld2_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 2ld2 _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ttm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 61.65 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.062 -1.024 . . . . 0.0 109.165 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.98 -60.87 1.7 Allowed 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 10.9 mt -96.36 27.81 3.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.294 -0.879 . . . . 0.0 109.94 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -30.22 4.22 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.223 -0.923 . . . . 0.0 111.159 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -34.54 77.8 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.443 -0.786 . . . . 0.0 111.17 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -43.5 -29.45 0.46 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 111.148 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.21 -61.45 1.91 Allowed 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 118.917 -1.113 . . . . 0.0 109.606 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -64.74 -35.79 82.22 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 7' ' ' LEU 0.314 . . -55.15 -59.07 5.28 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.027 1.394 . . . . 0.0 108.511 177.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.611 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 18.9 t80 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.037 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 3.5 mt-10 -60.91 -40.5 93.38 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 115.887 -2.325 . . . . 0.0 106.814 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' SER . 39.4 m -63.31 -17.7 62.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.361 -0.837 . . . . 0.0 108.893 175.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.9 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE 0.255 0.2 OUTLIER -87.88 -43.12 12.04 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 178.545 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.302 0.9 OUTLIER -47.59 -45.1 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.085 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.536 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -37.81 -57.62 0.99 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.619 176.77 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.9 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.2 p90 -101.42 27.16 6.48 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.938 -0.476 . . . . 0.0 110.774 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 O-C-N 119.572 -1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.29 50.34 0.39 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.027 -1.046 . . . . 0.0 110.527 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.78 -55.85 2.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.146 -0.971 . . . . 0.0 108.926 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.26 59.51 5.67 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -38.95 10.08 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.661 -0.649 . . . . 0.0 110.593 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.19 -48.95 64.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.175 -0.953 . . . . 0.0 110.919 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.61 -16.33 1.54 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.713 -0.617 . . . . 0.0 110.524 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.443 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 3.5 ptm -81.67 -46.71 13.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.708 -1.245 . . . . 0.0 108.863 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 8' ' ' MET . 1.8 ttmm -66.45 -40.18 89.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.307 . . -52.3 -61.9 1.98 Allowed 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 123.347 1.546 . . . . 0.0 108.184 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 14' ' ' LEU . 75.4 t80 -57.95 -59.95 4.47 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 112.743 -2.026 . . . . 0.0 111.562 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.639 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -51.06 -42.38 60.5 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 118.243 -1.383 . . . . 0.0 108.52 -177.613 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.1 m -60.82 -21.53 63.26 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.883 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -96.08 -35.86 11.21 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.303 0.2 OUTLIER -55.67 -46.23 77.58 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 175.729 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 13' ' ' SER 0.258 14.6 m -32.83 -54.93 0.37 Allowed 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.075 -1.875 . . . . 0.0 111.9 177.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.883 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.3 p90 -106.39 12.96 29.2 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.596 0 O-C-N 119.598 -1.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tmm? . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' HB1' HD22 ' A' ' 7' ' ' LEU . . . -135.79 120.27 18.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.094 -1.004 . . . . 0.0 111.5 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -70.82 -51.77 24.64 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.47 -75.82 0.2 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.07 -25.2 2.05 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.311 -0.868 . . . . 0.0 110.915 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -33.21 -55.48 0.41 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.487 HD22 ' HB1' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -46.01 -21.79 0.17 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.415 -0.803 . . . . 0.0 110.844 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -79.17 -56.98 3.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 109.952 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.26 -35.53 80.65 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.328 . . -54.19 -60.26 3.58 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 123.661 1.696 . . . . 0.0 107.274 176.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.509 ' O ' HD13 ' A' ' 14' ' ' LEU . 73.7 t80 -59.03 -56.06 27.11 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 112.665 -2.061 . . . . 0.0 110.751 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.668 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 1.9 mt-10 -50.57 -44.2 56.64 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.663 -1.215 . . . . 0.0 108.419 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.4 m -58.49 -22.49 55.1 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.671 0.748 . . . . 0.0 109.502 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.858 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.06 -38.97 10.39 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.668 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.308 0.0 OUTLIER -52.43 -43.81 65.07 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 13' ' ' SER . 2.6 m -34.73 -58.87 0.49 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.032 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.858 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 7.3 p90 -97.15 -168.06 1.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.735 -0.603 . . . . 0.0 110.942 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.466 -2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.185 0.517 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.96 42.28 1.31 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.491 -0.756 . . . . 0.0 110.043 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.31 3.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.192 -0.942 . . . . 0.0 109.396 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' HB3' HD22 ' A' ' 7' ' ' LEU . 7.4 mt -91.81 13.64 17.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.131 -0.981 . . . . 0.0 110.902 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.21 -36.3 0.21 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.712 -0.618 . . . . 0.0 112.147 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.13 59.91 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.118 -0.989 . . . . 0.0 110.717 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.9 pp -55.97 -16.12 4.4 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.711 -0.795 . . . . 0.0 110.222 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.434 ' HG3' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.22 -44.27 76.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.881 -1.137 . . . . 0.0 109.683 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 8' ' ' MET . 8.0 tptp -64.87 -43.49 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -51.11 -65.35 0.57 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 123.24 1.495 . . . . 0.0 108.729 176.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 15' ' ' LYS . 92.4 t80 -54.75 -56.78 15.63 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 112.64 -2.073 . . . . 0.0 111.68 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.86 -42.08 68.16 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.138 -1.425 . . . . 0.0 107.349 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -76.26 14.06 0.81 Allowed 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.95 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.908 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -125.64 -48.42 1.66 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' N ' ' CD1' ' A' ' 14' ' ' LEU 0.319 0.1 OUTLIER -47.94 -32.51 6.48 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 173.475 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -47.32 -71.76 0.06 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.033 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.908 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -78.62 -19.21 53.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.838 -0.539 . . . . 0.0 111.12 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.446 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.473 -2.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttm . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 120.408 0.147 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.99 58.97 4.0 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -85.25 -52.7 5.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.539 -0.725 . . . . 0.0 109.097 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -105.6 25.56 10.61 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.484 -0.76 . . . . 0.0 110.484 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -33.05 0.6 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.77 -0.581 . . . . 0.0 111.546 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 -34.16 63.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.064 . . . . 0.0 110.589 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.03 -16.57 32.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.994 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.426 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.51 -47.18 28.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.175 . . . . 0.0 109.122 179.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 8' ' ' MET . 2.2 tttp -66.24 -39.25 89.38 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.573 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.323 . . -53.22 -59.91 3.96 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 123.572 1.653 . . . . 0.0 108.062 176.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.847 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 68.3 t80 -63.04 -55.31 26.64 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.821 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.9 mm-40 -53.85 -36.68 62.83 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 117.805 -1.558 . . . . 0.0 107.252 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.683 ' O ' ' HB2' ' A' ' 16' ' ' SER . 20.3 m -58.37 -28.06 64.79 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.847 ' CD1' ' HA ' ' A' ' 11' ' ' PHE . 2.9 mt -80.66 -40.03 26.23 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.319 0.0 OUTLIER -50.07 -45.33 52.35 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.696 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.683 ' HB2' ' O ' ' A' ' 13' ' ' SER . 1.8 m -48.16 -66.07 0.46 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.521 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.834 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.4 p90 -92.16 34.66 1.02 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.397 -0.814 . . . . 0.0 111.294 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.512 0 O-C-N 119.694 -1.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.26 48.82 1.04 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.371 -0.831 . . . . 0.0 110.725 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.421 ' OG1' HD21 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -87.14 -77.41 0.33 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.079 -1.013 . . . . 0.0 109.926 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.64 -80.18 0.18 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.243 -0.911 . . . . 0.0 110.464 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.06 -52.12 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.087 -1.008 . . . . 0.0 110.309 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.66 -29.51 4.45 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.602 -0.687 . . . . 0.0 110.64 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 1.1 pp -46.66 -21.68 0.22 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 120.96 0.41 . . . . 0.0 110.381 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.455 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 79.9 mmm -64.05 -54.36 35.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.079 -1.013 . . . . 0.0 109.479 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.88 91.04 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.326 . . -54.15 -61.29 2.4 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 123.561 1.648 . . . . 0.0 108.873 177.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.504 ' O ' HD11 ' A' ' 14' ' ' LEU . 82.9 t80 -60.22 -57.82 11.18 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.883 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.694 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 2.4 mm-40 -51.81 -41.26 61.59 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.778 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' SER . 36.7 m -58.16 -23.61 55.94 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.695 0.759 . . . . 0.0 109.21 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.858 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.28 -39.0 10.28 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.694 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.314 0.0 OUTLIER -54.79 -41.0 70.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 175.747 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.578 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 2.8 m -37.24 -59.54 0.73 Allowed 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.926 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.858 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 4.3 p90 -94.25 -172.5 2.82 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.734 -0.604 . . . . 0.0 111.077 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 119.699 -1.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtp . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.96 77.63 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.32 -0.863 . . . . 0.0 109.108 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -104.47 -57.17 2.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.01 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HA ' HD22 ' A' ' 7' ' ' LEU . 13.1 mt -56.8 -50.41 72.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.566 -0.709 . . . . 0.0 109.777 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.09 -35.16 76.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.706 -0.621 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -78.53 -47.59 17.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.828 -1.17 . . . . 0.0 110.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.24 -19.38 21.02 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.334 -0.946 . . . . 0.0 108.888 178.353 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.491 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 34.7 mmm -81.45 -53.95 5.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.494 -0.753 . . . . 0.0 109.239 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -40.84 90.36 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.339 . . -52.91 -55.25 24.73 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 123.666 1.698 . . . . 0.0 108.653 176.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.855 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 76.7 t80 -68.72 -55.57 10.92 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 112.519 -2.128 . . . . 0.0 112.603 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -52.61 -33.36 46.04 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 118.188 -1.405 . . . . 0.0 107.238 -178.12 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.597 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m -59.77 -35.79 75.33 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.855 ' CD1' ' HA ' ' A' ' 11' ' ' PHE . 2.6 mt -70.91 -40.41 72.17 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.337 0.6 OUTLIER -53.77 -43.13 68.98 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 176.227 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -64.41 -74.58 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 113.974 -1.467 . . . . 0.0 112.348 177.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.852 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 2.8 p90 -84.64 9.02 14.89 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.387 -0.82 . . . . 0.0 112.762 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.297 -1.709 0 O-C-N 119.038 -2.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.222 0.534 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' HB3' ' HG2' ' A' ' 8' ' ' MET . . . -94.27 -165.94 1.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 109.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 p -79.93 -56.54 4.18 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 120.85 -1.157 . . . . 0.0 109.239 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 13.2 tp -107.59 -108.2 0.32 Allowed 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.336 -0.853 . . . . 0.0 109.524 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.627 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -148.03 -59.81 0.25 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.548 -1.345 . . . . 0.0 111.751 -179.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -42.02 21.11 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.124 -0.985 . . . . 0.0 112.64 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD12 ' HB1' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -55.19 -17.63 4.63 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.444 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 0.1 OUTLIER -78.01 -54.21 6.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.903 -1.123 . . . . 0.0 109.469 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -37.38 77.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.319 . . -56.15 -59.86 4.32 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 123.304 1.526 . . . . 0.0 108.336 176.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.817 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 63.1 t80 -65.91 -57.25 8.28 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 112.867 -1.97 . . . . 0.0 113.309 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.553 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -53.51 -31.5 46.36 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 117.775 -1.57 . . . . 0.0 107.339 -177.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' A' ' 16' ' ' SER . 2.3 m -60.13 -35.55 75.5 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.895 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 2.9 mt -69.51 -39.64 77.44 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.339 0.1 OUTLIER -57.87 -46.3 85.04 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 176.031 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.602 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.9 OUTLIER -55.86 -67.93 0.25 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.789 178.042 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.895 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 7.2 p90 -90.2 35.37 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.085 -1.01 . . . . 0.0 111.038 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.183 -2.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE2' ' HB2' ' A' ' 1' ' ' MET . 27.1 mtm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.3 58.21 3.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.356 -0.84 . . . . 0.0 108.927 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -90.75 -70.69 0.66 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.425 -0.797 . . . . 0.0 109.779 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.563 ' HB3' HD22 ' A' ' 7' ' ' LEU . 0.3 OUTLIER 37.57 53.02 1.38 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.279 0.562 . . . . 0.0 111.029 179.239 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -49.69 -29.45 7.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.498 -0.751 . . . . 0.0 111.231 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -60.33 -32.68 71.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.453 -0.779 . . . . 0.0 110.48 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.601 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -52.03 -20.19 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 110.291 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ptm -66.78 -43.23 84.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.083 -1.01 . . . . 0.0 109.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -73.96 -43.1 59.34 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.682 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.601 ' HB3' ' HA ' ' A' ' 7' ' ' LEU 0.316 . . -46.56 -60.08 2.59 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 123.533 1.635 . . . . 0.0 107.995 176.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.852 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 49.3 t80 -61.01 -59.06 5.96 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.499 -2.137 . . . . 0.0 113.38 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.625 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 2.8 mt-10 -53.98 -34.74 60.64 Favored 'General case' 0 C--N 1.284 -2.252 0 C-N-CA 117.529 -1.669 . . . . 0.0 107.414 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.579 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.3 m -65.33 -33.04 75.03 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.188 -0.945 . . . . 0.0 108.618 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.852 ' CD1' ' HA ' ' A' ' 11' ' ' PHE . 6.4 mt -70.09 -37.5 75.42 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.625 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.326 0.6 OUTLIER -51.88 -41.33 61.81 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 176.979 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.579 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -61.92 -74.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.82 178.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.811 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 12.9 p90 -80.88 -12.31 59.44 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.869 . . . . 0.0 112.846 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.293 -1.865 0 O-C-N 118.918 -2.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtp . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.72 86.39 7.14 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -154.48 -66.56 0.13 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.396 -0.815 . . . . 0.0 111.48 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -59.47 -29.82 68.08 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.36 -0.838 . . . . 0.0 113.052 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 8' ' ' MET . 1.2 pt-20 -51.9 -19.87 1.99 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 121.087 -1.008 . . . . 0.0 111.219 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.108 -0.995 . . . . 0.0 110.48 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -15.67 3.95 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.123 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.45 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -76.27 -51.46 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.025 -1.047 . . . . 0.0 108.959 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 8' ' ' MET . 2.2 tptp -66.44 -36.96 84.1 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.313 . . -53.65 -59.38 4.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 123.46 1.6 . . . . 0.0 107.895 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' O ' HD12 ' A' ' 14' ' ' LEU . 91.8 t80 -59.19 -56.85 16.93 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.097 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.561 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 81.4 mt-10 -51.53 -43.94 62.47 Favored 'General case' 0 C--N 1.287 -2.119 0 C-N-CA 118.45 -1.3 . . . . 0.0 108.278 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' SER . 34.6 m -60.74 -22.47 64.06 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.896 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -91.78 -37.71 12.8 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.127 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.603 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.305 0.0 OUTLIER -51.27 -42.96 61.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 175.534 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.603 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -38.87 -57.85 1.17 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.125 178.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.896 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 17.5 p90 -98.38 -26.9 14.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.384 -0.822 . . . . 0.0 111.062 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 119.417 -2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.64 118.09 9.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.486 -0.759 . . . . 0.0 109.767 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.48 -71.41 0.39 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.754 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mt -134.84 24.15 3.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.931 -1.106 . . . . 0.0 112.031 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -17.91 59.34 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.74 -1.225 . . . . 0.0 109.809 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -57.65 -50.81 71.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.418 -0.801 . . . . 0.0 110.409 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.89 -16.41 4.61 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.97 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.604 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -77.26 -46.36 23.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.828 -1.17 . . . . 0.0 108.621 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -66.16 -45.1 82.14 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.343 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.328 . . -48.08 -56.15 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 123.716 1.722 . . . . 0.0 108.808 177.023 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.832 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 72.6 t80 -66.59 -57.54 7.03 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 112.477 -2.147 . . . . 0.0 112.805 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 11.0 mm-40 -54.35 -34.24 60.69 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 117.358 -1.737 . . . . 0.0 107.609 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.627 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.9 m -57.5 -21.5 38.16 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.895 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 2.6 mt -87.33 -42.29 12.99 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.308 0.0 OUTLIER -47.71 -42.32 24.79 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.539 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.627 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.9 m -45.09 -61.11 1.76 Allowed 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.523 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.895 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.5 p90 -98.87 37.27 1.54 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.452 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.514 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mmm . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 120.613 0.245 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.41 110.83 17.21 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.84 -1.162 . . . . 0.0 111.062 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -96.99 -47.31 5.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.457 -0.777 . . . . 0.0 109.251 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 7' ' ' LEU . 5.7 mp -111.31 44.77 1.27 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.599 -0.688 . . . . 0.0 109.797 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 8' ' ' MET . 2.3 pt-20 -62.0 -19.56 62.96 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.467 -0.771 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -46.48 82.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.919 -1.113 . . . . 0.0 109.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -59.69 -15.67 21.29 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.55 178.581 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.518 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -77.65 -55.32 5.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.102 -0.999 . . . . 0.0 108.86 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -58.97 -40.42 84.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.322 . . -50.13 -60.9 2.51 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 123.283 1.515 . . . . 0.0 108.852 176.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' O ' HD13 ' A' ' 14' ' ' LEU . 89.3 t80 -60.57 -58.98 6.17 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 112.83 -1.986 . . . . 0.0 111.311 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.604 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 52.6 mm-40 -51.13 -42.9 61.03 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.345 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.545 ' O ' ' HB2' ' A' ' 16' ' ' SER . 37.4 m -59.63 -21.72 60.85 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 121.488 0.661 . . . . 0.0 109.278 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.871 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.67 -41.01 9.51 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.18 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.604 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.307 0.0 OUTLIER -48.56 -44.73 36.81 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.172 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.545 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.8 m -35.78 -63.19 0.38 Allowed 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.801 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.871 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 11.6 p90 -93.73 -23.61 18.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 111.106 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.273 0 O-C-N 119.395 -2.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.43 81.11 1.76 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.265 -0.897 . . . . 0.0 110.129 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -77.72 -42.19 35.18 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.517 ' HB3' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -126.25 75.72 1.55 Allowed 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.06 -45.98 0.3 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.87 66.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.922 -1.111 . . . . 0.0 111.057 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.517 ' CD2' ' HB3' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -63.69 -13.1 39.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 179.129 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 4.6 ptm -77.35 -47.21 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.783 -1.198 . . . . 0.0 108.362 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 8' ' ' MET . 2.0 tptp -64.06 -39.16 93.46 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -53.0 -59.88 3.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 123.512 1.625 . . . . 0.0 108.632 177.067 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.815 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 73.4 t80 -63.98 -57.24 10.32 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 112.794 -2.003 . . . . 0.0 112.79 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -53.22 -34.02 55.29 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.137 -177.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' ' 16' ' ' SER . 30.5 m -67.89 -2.72 7.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.362 -0.836 . . . . 0.0 110.57 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.863 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 1.3 mt -92.2 -50.28 5.75 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.366 14.3 ttpp -42.17 -35.01 0.84 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.778 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 13' ' ' SER . 33.3 m -52.64 -57.53 9.76 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.977 177.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.863 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -101.6 -22.3 14.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.565 -0.709 . . . . 0.0 111.615 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 O-C-N 119.323 -2.111 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.256 0.55 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.11 163.23 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -108.36 -75.83 0.62 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.554 -0.716 . . . . 0.0 109.415 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 7' ' ' LEU . 2.0 mp -119.18 41.46 3.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.523 ' HG3' ' HD2' ' A' ' 6' ' ' LYS . 12.4 pt-20 -39.27 -37.97 0.47 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.66 -53.34 2.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.816 -1.177 . . . . 0.0 112.012 -178.434 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' CD1' HD22 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -51.82 -15.77 0.57 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.917 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 5.8 ptt? -76.82 -46.27 25.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.835 -1.166 . . . . 0.0 109.814 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' N ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -67.87 -36.66 80.66 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.015 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.317 . . -54.71 -62.81 1.41 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.412 1.577 . . . . 0.0 107.79 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.57 ' O ' HD13 ' A' ' 14' ' ' LEU . 89.5 t80 -56.86 -58.66 7.14 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 112.675 -2.057 . . . . 0.0 111.486 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.623 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 5.7 mm-40 -50.88 -44.23 59.75 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 118.266 -1.373 . . . . 0.0 108.193 -177.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 16' ' ' SER . 57.8 m -59.1 -23.08 61.77 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.476 -0.765 . . . . 0.0 109.355 176.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.88 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -92.96 -37.09 12.41 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.623 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.298 0.0 OUTLIER -52.21 -44.16 64.63 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 175.805 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.595 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -37.24 -57.73 0.86 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.29 177.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.88 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 10.8 p90 -101.14 22.68 11.96 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.724 -0.61 . . . . 0.0 110.781 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.29 -2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.498 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -166.22 87.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.567 -0.708 . . . . 0.0 110.446 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.92 -69.85 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.228 -0.92 . . . . 0.0 109.634 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.11 -38.16 85.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.427 179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.498 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.2 pm0 -59.64 -19.83 51.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.149 -0.97 . . . . 0.0 109.467 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -34.09 21.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.343 -0.848 . . . . 0.0 109.55 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -61.59 -16.19 45.87 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.603 -0.686 . . . . 0.0 109.159 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mmt -72.82 -52.31 15.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.177 -0.952 . . . . 0.0 108.876 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -60.14 -40.52 90.09 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.32 . . -53.16 -63.43 1.15 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 123.324 1.535 . . . . 0.0 108.48 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.608 ' O ' HD12 ' A' ' 14' ' ' LEU . 86.9 t80 -55.08 -61.01 2.6 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.833 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.6 mm-40 -52.97 -41.61 64.72 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 118.053 -1.459 . . . . 0.0 108.582 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' SER . 70.8 m -62.47 -19.37 63.47 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.506 -0.746 . . . . 0.0 109.045 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.898 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.48 -36.87 11.67 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.602 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.312 0.0 OUTLIER -56.01 -44.05 78.29 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 175.279 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.537 ' HB2' ' O ' ' A' ' 13' ' ' SER 0.26 3.4 m -32.89 -61.19 0.29 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 113.337 -1.756 . . . . 0.0 111.723 177.285 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.898 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 6.3 p90 -94.92 16.79 15.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.623 -0.673 . . . . 0.0 111.435 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.538 0 O-C-N 119.285 -2.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.21 134.45 52.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.275 -0.89 . . . . 0.0 109.665 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.18 54.99 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.806 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.476 ' C ' ' CG ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -74.85 -24.55 58.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.372 -0.83 . . . . 0.0 111.354 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CG ' ' C ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER 62.97 -47.79 0.2 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.873 -0.517 . . . . 0.0 112.021 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -25.05 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -16.46 0.45 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.01 -1.056 . . . . 0.0 111.011 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.61 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 5.9 ptp -74.46 -45.05 48.76 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.703 -1.248 . . . . 0.0 109.661 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.61 ' N ' ' HG3' ' A' ' 8' ' ' MET . 7.1 tttm -63.65 -37.09 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' O ' HD13 ' A' ' 14' ' ' LEU 0.324 . . -55.21 -58.99 5.44 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 123.101 1.429 . . . . 0.0 108.525 176.574 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.841 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 76.0 t80 -68.13 -57.06 6.68 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.271 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.54 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.5 mm-40 -51.17 -34.55 31.91 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 118.281 -1.367 . . . . 0.0 107.435 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.588 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.4 m -56.78 -34.94 68.12 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.859 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 2.0 mt -71.87 -39.93 69.29 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 177.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.327 0.1 OUTLIER -55.9 -45.12 78.74 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.522 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.588 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.0 m -59.56 -71.27 0.13 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 114.133 -1.394 . . . . 0.0 110.643 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.859 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 4.8 p90 -87.46 41.96 1.01 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.782 -1.199 . . . . 0.0 111.493 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.563 0 O-C-N 119.512 -1.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ttm . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.72 57.54 0.58 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.918 -1.114 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 -19.32 14.62 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.719 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.76 48.03 1.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.278 -0.889 . . . . 0.0 110.451 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.12 65.21 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.161 -0.962 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.95 67.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -0.933 . . . . 0.0 110.444 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -52.47 -20.26 2.77 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.284 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.8 -54.2 10.95 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 9' ' ' LYS . 2.3 tppm? -62.38 -36.65 82.96 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 177.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 7' ' ' LEU 0.319 . . -53.74 -62.87 1.37 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 123.545 1.641 . . . . 0.0 107.739 176.269 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.525 ' O ' HD12 ' A' ' 14' ' ' LEU . 76.2 t80 -54.0 -57.28 11.62 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 112.618 -2.083 . . . . 0.0 110.875 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 63.9 mt-10 -51.07 -46.73 61.83 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.751 -1.18 . . . . 0.0 108.068 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 16' ' ' SER . 60.9 m -62.85 -18.27 62.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.555 -0.715 . . . . 0.0 109.497 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.862 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.14 -34.83 12.12 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 11' ' ' PHE 0.311 0.0 OUTLIER -55.47 -44.38 76.4 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 175.408 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.478 ' HB2' ' O ' ' A' ' 13' ' ' SER . 2.1 m -36.38 -57.9 0.72 Allowed 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.314 -1.766 . . . . 0.0 112.031 177.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.862 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 8.3 p90 -101.62 -178.97 3.88 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.751 -0.593 . . . . 0.0 110.942 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 0 O-C-N 119.57 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.64 81.63 1.92 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.228 -0.92 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.81 -58.78 2.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.033 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 4' ' ' LEU . 17.0 mt -125.06 57.25 1.3 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.542 -0.724 . . . . 0.0 110.279 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.27 -15.49 57.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.196 -0.94 . . . . 0.0 110.503 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -35.78 12.46 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.565 -0.709 . . . . 0.0 110.761 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 1.4 pp -55.78 -15.57 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 110.208 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 3.9 mmt -74.44 -51.08 15.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.087 -1.008 . . . . 0.0 109.612 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -58.03 -39.87 79.45 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB1' ' O ' ' A' ' 7' ' ' LEU 0.331 . . -57.03 -65.51 0.61 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 123.262 1.506 . . . . 0.0 108.855 176.665 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.521 ' O ' HD11 ' A' ' 14' ' ' LEU . 82.5 t80 -55.89 -58.7 6.75 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.758 -178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.6 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -51.37 -43.28 61.83 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 118.732 -1.187 . . . . 0.0 108.427 -177.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.4 m -61.22 -19.21 61.38 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.544 -0.722 . . . . 0.0 109.314 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.836 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.09 -35.43 10.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.684 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.6 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.302 0.1 OUTLIER -55.65 -41.98 74.4 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.495 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -37.31 -71.57 0.07 Allowed 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.422 -1.717 . . . . 0.0 111.481 178.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.836 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -81.31 -166.91 1.27 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.775 -0.578 . . . . 0.0 111.052 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.751 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.94 -160.65 0.19 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.587 -0.695 . . . . 0.0 109.624 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.35 -95.95 0.15 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.61 -58.5 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.781 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.532 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -68.75 -28.14 66.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.0 110.468 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.532 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -61.95 -45.23 94.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.252 -0.905 . . . . 0.0 110.805 -179.067 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -64.37 -14.67 57.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.988 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.474 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -80.61 -51.16 9.05 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 8' ' ' MET . 1.9 tptm -62.74 -41.11 99.03 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.313 . . -51.3 -62.7 1.46 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 123.234 1.492 . . . . 0.0 108.57 176.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' O ' HD13 ' A' ' 14' ' ' LEU . 72.8 t80 -57.32 -59.97 4.33 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 112.843 -1.981 . . . . 0.0 112.009 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 2.7 mt-10 -53.56 -39.72 65.0 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 117.636 -1.626 . . . . 0.0 108.46 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.6 m -63.65 -18.89 64.42 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.409 -0.807 . . . . 0.0 109.146 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.869 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.81 -36.99 11.44 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.471 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.298 0.0 OUTLIER -53.85 -43.34 69.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 175.548 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.548 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.6 m -34.52 -52.03 0.49 Allowed 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.551 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.869 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 7.1 p90 -108.08 20.94 18.07 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.445 -0.784 . . . . 0.0 111.328 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.453 0 O-C-N 119.434 -2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.39 116.72 8.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -69.75 0.69 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -101.34 63.02 0.96 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.754 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -36.97 -40.92 0.31 Allowed 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.148 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -44.58 83.12 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.644 -1.285 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' HB3' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -58.5 -20.9 49.63 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.849 178.105 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 89.2 mmm -80.94 -54.75 5.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.281 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -57.84 -45.01 86.85 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.311 . . -47.6 -59.9 2.93 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 123.291 1.519 . . . . 0.0 108.898 177.271 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.808 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . 58.5 t80 -65.19 -56.07 14.96 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 113.204 -1.816 . . . . 0.0 112.51 -177.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 20.2 mm-40 -53.28 -34.94 59.34 Favored 'General case' 0 C--N 1.285 -2.231 0 C-N-CA 118.0 -1.48 . . . . 0.0 107.541 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.555 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 55.2 m -57.71 -34.92 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.878 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 2.5 mt -70.44 -42.07 72.04 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 176.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.331 0.0 OUTLIER -54.55 -44.41 72.84 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.999 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.503 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -57.4 -69.57 0.16 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.903 177.647 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.878 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 5.6 p90 -89.45 34.43 0.82 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.144 -0.973 . . . . 0.0 111.457 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 119.267 -2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ttm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 61.65 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.062 -1.024 . . . . 0.0 109.165 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.98 -60.87 1.7 Allowed 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 10.9 mt -96.36 27.81 3.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.294 -0.879 . . . . 0.0 109.94 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -30.22 4.22 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.223 -0.923 . . . . 0.0 111.159 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -34.54 77.8 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.443 -0.786 . . . . 0.0 111.17 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -43.5 -29.45 0.46 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 111.148 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.21 -61.45 1.91 Allowed 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 118.917 -1.113 . . . . 0.0 109.606 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -64.74 -35.79 82.22 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 7' ' ' LEU 0.314 . . -55.15 -59.07 5.28 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.027 1.394 . . . . 0.0 108.511 177.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 18.9 t80 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.037 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.5 mt-10 -60.91 -40.5 93.38 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 115.887 -2.325 . . . . 0.0 106.814 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.529 ' O ' ' HB2' ' A' ' 16' ' ' SER . 39.4 m -63.31 -17.7 62.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.361 -0.837 . . . . 0.0 108.893 175.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.95 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE 0.255 0.2 OUTLIER -87.88 -43.12 12.04 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 178.545 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.302 0.9 OUTLIER -47.59 -45.1 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.085 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.532 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -37.81 -57.62 0.99 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.619 176.77 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.95 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.2 p90 -101.42 27.16 6.48 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.938 -0.476 . . . . 0.0 110.774 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 O-C-N 119.572 -1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.29 50.34 0.39 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.027 -1.046 . . . . 0.0 110.527 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.78 -55.85 2.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.146 -0.971 . . . . 0.0 108.926 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.26 59.51 5.67 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -38.95 10.08 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.661 -0.649 . . . . 0.0 110.593 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.19 -48.95 64.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.175 -0.953 . . . . 0.0 110.919 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.61 -16.33 1.54 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.713 -0.617 . . . . 0.0 110.524 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 3.5 ptm -81.67 -46.71 13.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.708 -1.245 . . . . 0.0 108.863 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 8' ' ' MET . 1.8 ttmm -66.45 -40.18 89.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.307 . . -52.3 -61.9 1.98 Allowed 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 123.347 1.546 . . . . 0.0 108.184 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.721 ' CD1' HD12 ' A' ' 14' ' ' LEU . 75.4 t80 -57.95 -59.95 4.47 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 112.743 -2.026 . . . . 0.0 111.562 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.684 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -51.06 -42.38 60.5 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 118.243 -1.383 . . . . 0.0 108.52 -177.613 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.1 m -60.82 -21.53 63.26 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.943 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -96.08 -35.86 11.21 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.921 ' N ' HD13 ' A' ' 14' ' ' LEU 0.303 0.2 OUTLIER -55.67 -46.23 77.58 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 175.729 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' SER 0.258 14.6 m -32.83 -54.93 0.37 Allowed 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.075 -1.875 . . . . 0.0 111.9 177.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.943 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.3 p90 -106.39 12.96 29.2 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.596 0 O-C-N 119.598 -1.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tmm? . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.797 ' HB2' HD23 ' A' ' 7' ' ' LEU . . . -135.79 120.27 18.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.094 -1.004 . . . . 0.0 111.5 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -70.82 -51.77 24.64 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.47 -75.82 0.2 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.07 -25.2 2.05 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.311 -0.868 . . . . 0.0 110.915 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -33.21 -55.48 0.41 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD23 ' HB2' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -46.01 -21.79 0.17 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.415 -0.803 . . . . 0.0 110.844 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -79.17 -56.98 3.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 109.952 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' CA ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.26 -35.53 80.65 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' HB3' ' H ' ' A' ' 11' ' ' PHE 0.328 . . -54.19 -60.26 3.58 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 123.661 1.696 . . . . 0.0 107.274 176.095 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LYS . 73.7 t80 -59.03 -56.06 27.11 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 112.665 -2.061 . . . . 0.0 110.751 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 1.9 mt-10 -50.57 -44.2 56.64 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.663 -1.215 . . . . 0.0 108.419 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.4 m -58.49 -22.49 55.1 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.671 0.748 . . . . 0.0 109.502 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.923 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.06 -38.97 10.39 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.063 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.92 ' N ' HD13 ' A' ' 14' ' ' LEU 0.308 0.0 OUTLIER -52.43 -43.81 65.07 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 13' ' ' SER . 2.6 m -34.73 -58.87 0.49 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.032 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.923 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 7.3 p90 -97.15 -168.06 1.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.735 -0.603 . . . . 0.0 110.942 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.466 -2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.185 0.517 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.96 42.28 1.31 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.491 -0.756 . . . . 0.0 110.043 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.31 3.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.192 -0.942 . . . . 0.0 109.396 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.832 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.4 mt -91.81 13.64 17.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.131 -0.981 . . . . 0.0 110.902 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.21 -36.3 0.21 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.712 -0.618 . . . . 0.0 112.147 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.13 59.91 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.118 -0.989 . . . . 0.0 110.717 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' ' 4' ' ' LEU . 1.9 pp -55.97 -16.12 4.4 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.711 -0.795 . . . . 0.0 110.222 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.427 ' HG3' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.22 -44.27 76.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.881 -1.137 . . . . 0.0 109.683 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 8' ' ' MET . 8.0 tptp -64.87 -43.49 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -51.11 -65.35 0.57 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 123.24 1.495 . . . . 0.0 108.729 176.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.571 ' CD1' HD12 ' A' ' 14' ' ' LEU . 92.4 t80 -54.75 -56.78 15.63 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 112.64 -2.073 . . . . 0.0 111.68 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.86 -42.08 68.16 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.138 -1.425 . . . . 0.0 107.349 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -76.26 14.06 0.81 Allowed 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.95 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.969 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -125.64 -48.42 1.66 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.969 ' N ' HD13 ' A' ' 14' ' ' LEU 0.319 0.1 OUTLIER -47.94 -32.51 6.48 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 173.475 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -47.32 -71.76 0.06 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.033 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.918 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -78.62 -19.21 53.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.838 -0.539 . . . . 0.0 111.12 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.446 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.473 -2.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttm . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 120.408 0.147 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.99 58.97 4.0 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -85.25 -52.7 5.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.539 -0.725 . . . . 0.0 109.097 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 7' ' ' LEU . 1.1 mm? -105.6 25.56 10.61 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.484 -0.76 . . . . 0.0 110.484 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -33.05 0.6 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.77 -0.581 . . . . 0.0 111.546 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 -34.16 63.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.064 . . . . 0.0 110.589 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.03 -16.57 32.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.994 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.426 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.51 -47.18 28.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.175 . . . . 0.0 109.122 179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 8' ' ' MET . 2.2 tttp -66.24 -39.25 89.38 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.323 . . -53.22 -59.91 3.96 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 123.572 1.653 . . . . 0.0 108.062 176.688 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.925 ' HA ' HD12 ' A' ' 14' ' ' LEU . 68.3 t80 -63.04 -55.31 26.64 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.821 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.9 mm-40 -53.85 -36.68 62.83 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 117.805 -1.558 . . . . 0.0 107.252 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.715 ' O ' ' HB2' ' A' ' 16' ' ' SER . 20.3 m -58.37 -28.06 64.79 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.9 mt -80.66 -40.03 26.23 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.319 0.0 OUTLIER -50.07 -45.33 52.35 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.696 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.715 ' HB2' ' O ' ' A' ' 13' ' ' SER . 1.8 m -48.16 -66.07 0.46 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.521 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.854 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.4 p90 -92.16 34.66 1.02 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.397 -0.814 . . . . 0.0 111.294 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.512 0 O-C-N 119.694 -1.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.26 48.82 1.04 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.371 -0.831 . . . . 0.0 110.725 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.405 ' OG1' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -87.14 -77.41 0.33 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.079 -1.013 . . . . 0.0 109.926 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.64 -80.18 0.18 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.243 -0.911 . . . . 0.0 110.464 179.522 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.06 -52.12 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.087 -1.008 . . . . 0.0 110.309 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.66 -29.51 4.45 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.602 -0.687 . . . . 0.0 110.64 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.1 pp -46.66 -21.68 0.22 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 120.96 0.41 . . . . 0.0 110.381 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.461 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 79.9 mmm -64.05 -54.36 35.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.079 -1.013 . . . . 0.0 109.479 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.88 91.04 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.326 . . -54.15 -61.29 2.4 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 123.561 1.648 . . . . 0.0 108.873 177.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' LEU . 82.9 t80 -60.22 -57.82 11.18 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.883 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.688 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 2.4 mm-40 -51.81 -41.26 61.59 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.778 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' A' ' 16' ' ' SER . 36.7 m -58.16 -23.61 55.94 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.695 0.759 . . . . 0.0 109.21 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.28 -39.0 10.28 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.968 ' N ' HD13 ' A' ' 14' ' ' LEU 0.314 0.0 OUTLIER -54.79 -41.0 70.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 175.747 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.564 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 2.8 m -37.24 -59.54 0.73 Allowed 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.926 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.92 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 4.3 p90 -94.25 -172.5 2.82 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.734 -0.604 . . . . 0.0 111.077 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 119.699 -1.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtp . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -83.96 77.63 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.32 -0.863 . . . . 0.0 109.108 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -104.47 -57.17 2.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.01 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.804 ' HA ' HD23 ' A' ' 7' ' ' LEU . 13.1 mt -56.8 -50.41 72.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.566 -0.709 . . . . 0.0 109.777 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.6 pm0 -61.09 -35.16 76.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.706 -0.621 . . . . 0.0 110.802 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -78.53 -47.59 17.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.828 -1.17 . . . . 0.0 110.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.24 -19.38 21.02 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.334 -0.946 . . . . 0.0 108.888 178.353 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.432 ' HE3' ' HG3' ' A' ' 12' ' ' GLU . 34.7 mmm -81.45 -53.95 5.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.494 -0.753 . . . . 0.0 109.239 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -40.84 90.36 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.339 . . -52.91 -55.25 24.73 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 123.666 1.698 . . . . 0.0 108.653 176.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.928 ' HA ' HD12 ' A' ' 14' ' ' LEU . 76.7 t80 -68.72 -55.57 10.92 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 112.519 -2.128 . . . . 0.0 112.603 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -52.61 -33.36 46.04 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 118.188 -1.405 . . . . 0.0 107.238 -178.12 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m -59.77 -35.79 75.33 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.6 mt -70.91 -40.41 72.17 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.337 0.6 OUTLIER -53.77 -43.13 68.98 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 176.227 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -64.41 -74.58 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 113.974 -1.467 . . . . 0.0 112.348 177.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.857 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 2.8 p90 -84.64 9.02 14.89 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.387 -0.82 . . . . 0.0 112.762 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.297 -1.709 0 O-C-N 119.038 -2.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.222 0.534 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.987 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -94.27 -165.94 1.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 109.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 p -79.93 -56.54 4.18 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 120.85 -1.157 . . . . 0.0 109.239 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 13.2 tp -107.59 -108.2 0.32 Allowed 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.336 -0.853 . . . . 0.0 109.524 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.648 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -148.03 -59.81 0.25 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.548 -1.345 . . . . 0.0 111.751 -179.426 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -42.02 21.11 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.124 -0.985 . . . . 0.0 112.64 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.987 HD21 ' HB1' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -55.19 -17.63 4.63 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -54.21 6.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.903 -1.123 . . . . 0.0 109.469 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -37.38 77.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.319 . . -56.15 -59.86 4.32 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 123.304 1.526 . . . . 0.0 108.336 176.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.925 ' HA ' HD12 ' A' ' 14' ' ' LEU . 63.1 t80 -65.91 -57.25 8.28 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 112.867 -1.97 . . . . 0.0 113.309 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -53.51 -31.5 46.36 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 117.775 -1.57 . . . . 0.0 107.339 -177.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.622 ' O ' ' HB2' ' A' ' 16' ' ' SER . 2.3 m -60.13 -35.55 75.5 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.9 mt -69.51 -39.64 77.44 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.339 0.1 OUTLIER -57.87 -46.3 85.04 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 176.031 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.622 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.9 OUTLIER -55.86 -67.93 0.25 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.789 178.042 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.905 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 7.2 p90 -90.2 35.37 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.085 -1.01 . . . . 0.0 111.038 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.183 -2.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 mtm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.3 58.21 3.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.356 -0.84 . . . . 0.0 108.927 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -90.75 -70.69 0.66 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.425 -0.797 . . . . 0.0 109.779 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER 37.57 53.02 1.38 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.279 0.562 . . . . 0.0 111.029 179.239 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -49.69 -29.45 7.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.498 -0.751 . . . . 0.0 111.231 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -60.33 -32.68 71.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.453 -0.779 . . . . 0.0 110.48 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.03 -20.19 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 110.291 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ptm -66.78 -43.23 84.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.083 -1.01 . . . . 0.0 109.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -73.96 -43.1 59.34 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.682 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.316 . . -46.56 -60.08 2.59 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 123.533 1.635 . . . . 0.0 107.995 176.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.959 ' CA ' HD12 ' A' ' 14' ' ' LEU . 49.3 t80 -61.01 -59.06 5.96 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.499 -2.137 . . . . 0.0 113.38 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.612 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 2.8 mt-10 -53.98 -34.74 60.64 Favored 'General case' 0 C--N 1.284 -2.252 0 C-N-CA 117.529 -1.669 . . . . 0.0 107.414 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.3 m -65.33 -33.04 75.03 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.188 -0.945 . . . . 0.0 108.618 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.959 HD12 ' CA ' ' A' ' 11' ' ' PHE . 6.4 mt -70.09 -37.5 75.42 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.326 0.6 OUTLIER -51.88 -41.33 61.81 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 176.979 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -61.92 -74.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.82 178.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 12.9 p90 -80.88 -12.31 59.44 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.869 . . . . 0.0 112.846 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.293 -1.865 0 O-C-N 118.918 -2.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtp . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.72 86.39 7.14 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -154.48 -66.56 0.13 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.396 -0.815 . . . . 0.0 111.48 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -59.47 -29.82 68.08 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.36 -0.838 . . . . 0.0 113.052 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.9 -19.87 1.99 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 121.087 -1.008 . . . . 0.0 111.219 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.108 -0.995 . . . . 0.0 110.48 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -56.07 -15.67 3.95 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.123 179.154 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -76.27 -51.46 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.025 -1.047 . . . . 0.0 108.959 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 8' ' ' MET . 2.2 tptp -66.44 -36.96 84.1 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.313 . . -53.65 -59.38 4.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 123.46 1.6 . . . . 0.0 107.895 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CD1' HD12 ' A' ' 14' ' ' LEU . 91.8 t80 -59.19 -56.85 16.93 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.097 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 81.4 mt-10 -51.53 -43.94 62.47 Favored 'General case' 0 C--N 1.287 -2.119 0 C-N-CA 118.45 -1.3 . . . . 0.0 108.278 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 16' ' ' SER . 34.6 m -60.74 -22.47 64.06 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.946 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -91.78 -37.71 12.8 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.127 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' ' 14' ' ' LEU 0.305 0.0 OUTLIER -51.27 -42.96 61.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 175.534 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -38.87 -57.85 1.17 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.125 178.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.946 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 17.5 p90 -98.38 -26.9 14.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.384 -0.822 . . . . 0.0 111.062 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 119.417 -2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.64 118.09 9.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.486 -0.759 . . . . 0.0 109.767 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.48 -71.41 0.39 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.754 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD22 HD23 ' A' ' 7' ' ' LEU . 1.2 mt -134.84 24.15 3.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.931 -1.106 . . . . 0.0 112.031 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -17.91 59.34 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.74 -1.225 . . . . 0.0 109.809 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -57.65 -50.81 71.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.418 -0.801 . . . . 0.0 110.409 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD23 HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -55.89 -16.41 4.61 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.97 179.047 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.622 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -77.26 -46.36 23.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.828 -1.17 . . . . 0.0 108.621 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -66.16 -45.1 82.14 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.343 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.328 . . -48.08 -56.15 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 123.716 1.722 . . . . 0.0 108.808 177.023 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.947 ' HA ' HD12 ' A' ' 14' ' ' LEU . 72.6 t80 -66.59 -57.54 7.03 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 112.477 -2.147 . . . . 0.0 112.805 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 11.0 mm-40 -54.35 -34.24 60.69 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 117.358 -1.737 . . . . 0.0 107.609 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.647 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.9 m -57.5 -21.5 38.16 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.6 mt -87.33 -42.29 12.99 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.308 0.0 OUTLIER -47.71 -42.32 24.79 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.539 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.647 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.9 m -45.09 -61.11 1.76 Allowed 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.523 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.92 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.5 p90 -98.87 37.27 1.54 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.452 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.514 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mmm . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 120.613 0.245 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' A' ' 5' ' ' GLU . . . -81.41 110.83 17.21 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.84 -1.162 . . . . 0.0 111.062 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -96.99 -47.31 5.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.457 -0.777 . . . . 0.0 109.251 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.622 ' HB3' HD23 ' A' ' 7' ' ' LEU . 5.7 mp -111.31 44.77 1.27 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.599 -0.688 . . . . 0.0 109.797 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.634 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 2.3 pt-20 -62.0 -19.56 62.96 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.467 -0.771 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -46.48 82.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.919 -1.113 . . . . 0.0 109.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -59.69 -15.67 21.29 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.55 178.581 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.533 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -77.65 -55.32 5.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.102 -0.999 . . . . 0.0 108.86 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -58.97 -40.42 84.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.322 . . -50.13 -60.9 2.51 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 123.283 1.515 . . . . 0.0 108.852 176.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.3 t80 -60.57 -58.98 6.17 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 112.83 -1.986 . . . . 0.0 111.311 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 52.6 mm-40 -51.13 -42.9 61.03 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.345 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.555 ' O ' ' HB2' ' A' ' 16' ' ' SER . 37.4 m -59.63 -21.72 60.85 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 121.488 0.661 . . . . 0.0 109.278 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -94.67 -41.01 9.51 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.18 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.924 ' N ' HD13 ' A' ' 14' ' ' LEU 0.307 0.0 OUTLIER -48.56 -44.73 36.81 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.172 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.555 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.8 m -35.78 -63.19 0.38 Allowed 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.801 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.916 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 11.6 p90 -93.73 -23.61 18.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 111.106 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.273 0 O-C-N 119.395 -2.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.43 81.11 1.76 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.265 -0.897 . . . . 0.0 110.129 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -77.72 -42.19 35.18 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.982 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -126.25 75.72 1.55 Allowed 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.264 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.06 -45.98 0.3 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.87 66.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.922 -1.111 . . . . 0.0 111.057 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.982 HD23 ' HB3' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -63.69 -13.1 39.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 179.129 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.462 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 4.6 ptm -77.35 -47.21 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.783 -1.198 . . . . 0.0 108.362 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 8' ' ' MET . 2.0 tptp -64.06 -39.16 93.46 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -53.0 -59.88 3.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 123.512 1.625 . . . . 0.0 108.632 177.067 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.954 ' HA ' HD12 ' A' ' 14' ' ' LEU . 73.4 t80 -63.98 -57.24 10.32 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 112.794 -2.003 . . . . 0.0 112.79 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -53.22 -34.02 55.29 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.137 -177.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 16' ' ' SER . 30.5 m -67.89 -2.72 7.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.362 -0.836 . . . . 0.0 110.57 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.954 HD12 ' HA ' ' A' ' 11' ' ' PHE . 1.3 mt -92.2 -50.28 5.75 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.366 14.3 ttpp -42.17 -35.01 0.84 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.778 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 13' ' ' SER . 33.3 m -52.64 -57.53 9.76 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.977 177.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.889 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -101.6 -22.3 14.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.565 -0.709 . . . . 0.0 111.615 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.293 -1.861 0 O-C-N 119.323 -2.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.256 0.55 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.11 163.23 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.622 ' HB ' HD12 ' A' ' 4' ' ' LEU . 1.9 p -108.36 -75.83 0.62 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.554 -0.716 . . . . 0.0 109.415 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.788 HD23 HD11 ' A' ' 7' ' ' LEU . 2.0 mp -119.18 41.46 3.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HG3' ' HD2' ' A' ' 6' ' ' LYS . 12.4 pt-20 -39.27 -37.97 0.47 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.66 -53.34 2.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.816 -1.177 . . . . 0.0 112.012 -178.434 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.788 HD11 HD23 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -51.82 -15.77 0.57 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.917 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.509 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 5.8 ptt? -76.82 -46.27 25.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.835 -1.166 . . . . 0.0 109.814 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -67.87 -36.66 80.66 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.015 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.317 . . -54.71 -62.81 1.41 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.412 1.577 . . . . 0.0 107.79 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.5 t80 -56.86 -58.66 7.14 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 112.675 -2.057 . . . . 0.0 111.486 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 5.7 mm-40 -50.88 -44.23 59.75 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 118.266 -1.373 . . . . 0.0 108.193 -177.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' SER . 57.8 m -59.1 -23.08 61.77 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.476 -0.765 . . . . 0.0 109.355 176.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.945 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -92.96 -37.09 12.41 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.938 ' N ' HD13 ' A' ' 14' ' ' LEU 0.298 0.0 OUTLIER -52.21 -44.16 64.63 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 175.805 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.598 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -37.24 -57.73 0.86 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.29 177.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.945 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 10.8 p90 -101.14 22.68 11.96 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.724 -0.61 . . . . 0.0 110.781 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.29 -2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -166.22 87.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.567 -0.708 . . . . 0.0 110.446 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.92 -69.85 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.228 -0.92 . . . . 0.0 109.634 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.753 ' HA ' HD23 ' A' ' 7' ' ' LEU . 3.1 pp -67.11 -38.16 85.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.427 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.2 pm0 -59.64 -19.83 51.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.149 -0.97 . . . . 0.0 109.467 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -34.09 21.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.343 -0.848 . . . . 0.0 109.55 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -61.59 -16.19 45.87 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.603 -0.686 . . . . 0.0 109.159 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mmt -72.82 -52.31 15.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.177 -0.952 . . . . 0.0 108.876 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -60.14 -40.52 90.09 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.32 . . -53.16 -63.43 1.15 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 123.324 1.535 . . . . 0.0 108.48 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' LEU . 86.9 t80 -55.08 -61.01 2.6 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.833 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.6 mm-40 -52.97 -41.61 64.72 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 118.053 -1.459 . . . . 0.0 108.582 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 16' ' ' SER . 70.8 m -62.47 -19.37 63.47 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.506 -0.746 . . . . 0.0 109.045 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.917 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.48 -36.87 11.67 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.45 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.902 ' N ' HD13 ' A' ' 14' ' ' LEU 0.312 0.0 OUTLIER -56.01 -44.05 78.29 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 175.279 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' SER 0.26 3.4 m -32.89 -61.19 0.29 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 113.337 -1.756 . . . . 0.0 111.723 177.285 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.917 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 6.3 p90 -94.92 16.79 15.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.623 -0.673 . . . . 0.0 111.435 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.538 0 O-C-N 119.285 -2.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.21 134.45 52.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.275 -0.89 . . . . 0.0 109.665 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.18 54.99 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.806 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.476 ' C ' ' CG ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -74.85 -24.55 58.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.372 -0.83 . . . . 0.0 111.354 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CG ' ' C ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER 62.97 -47.79 0.2 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.873 -0.517 . . . . 0.0 112.021 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -25.05 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.78 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -51.01 -16.46 0.45 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.01 -1.056 . . . . 0.0 111.011 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.634 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 5.9 ptp -74.46 -45.05 48.76 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.703 -1.248 . . . . 0.0 109.661 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.634 ' N ' ' HG3' ' A' ' 8' ' ' MET . 7.1 tttm -63.65 -37.09 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.324 . . -55.21 -58.99 5.44 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 123.101 1.429 . . . . 0.0 108.525 176.574 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.998 ' HA ' HD12 ' A' ' 14' ' ' LEU . 76.0 t80 -68.13 -57.06 6.68 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.271 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 17.5 mm-40 -51.17 -34.55 31.91 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 118.281 -1.367 . . . . 0.0 107.435 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.4 m -56.78 -34.94 68.12 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.998 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.0 mt -71.87 -39.93 69.29 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 177.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.327 0.1 OUTLIER -55.9 -45.12 78.74 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.522 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.611 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.0 m -59.56 -71.27 0.13 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 114.133 -1.394 . . . . 0.0 110.643 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.865 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 4.8 p90 -87.46 41.96 1.01 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.782 -1.199 . . . . 0.0 111.493 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.563 0 O-C-N 119.512 -1.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ttm . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.72 57.54 0.58 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.918 -1.114 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 -19.32 14.62 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.719 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 7' ' ' LEU . 4.5 mm? -81.76 48.03 1.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.278 -0.889 . . . . 0.0 110.451 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.12 65.21 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.161 -0.962 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.95 67.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -0.933 . . . . 0.0 110.444 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -52.47 -20.26 2.77 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.284 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.8 -54.2 10.95 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 2.3 tppm? -62.38 -36.65 82.96 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 177.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -53.74 -62.87 1.37 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 123.545 1.641 . . . . 0.0 107.739 176.269 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' CD1' HD12 ' A' ' 14' ' ' LEU . 76.2 t80 -54.0 -57.28 11.62 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 112.618 -2.083 . . . . 0.0 110.875 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 63.9 mt-10 -51.07 -46.73 61.83 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.751 -1.18 . . . . 0.0 108.068 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' SER . 60.9 m -62.85 -18.27 62.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.555 -0.715 . . . . 0.0 109.497 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.93 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.14 -34.83 12.12 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.854 ' N ' HD13 ' A' ' 14' ' ' LEU 0.311 0.0 OUTLIER -55.47 -44.38 76.4 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 175.408 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' A' ' 13' ' ' SER . 2.1 m -36.38 -57.9 0.72 Allowed 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.314 -1.766 . . . . 0.0 112.031 177.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.93 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 p90 -101.62 -178.97 3.88 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.751 -0.593 . . . . 0.0 110.942 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 0 O-C-N 119.57 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.545 ' SD ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.64 81.63 1.92 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.228 -0.92 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.545 HG23 ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -80.81 -58.78 2.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.033 179.64 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 7' ' ' LEU . 17.0 mt -125.06 57.25 1.3 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.542 -0.724 . . . . 0.0 110.279 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.27 -15.49 57.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.196 -0.94 . . . . 0.0 110.503 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -35.78 12.46 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.565 -0.709 . . . . 0.0 110.761 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pp -55.78 -15.57 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 110.208 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 3.9 mmt -74.44 -51.08 15.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.087 -1.008 . . . . 0.0 109.612 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -58.03 -39.87 79.45 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.331 . . -57.03 -65.51 0.61 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 123.262 1.506 . . . . 0.0 108.855 176.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' A' ' 14' ' ' LEU . 82.5 t80 -55.89 -58.7 6.75 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.758 -178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.657 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -51.37 -43.28 61.83 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 118.732 -1.187 . . . . 0.0 108.427 -177.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.4 m -61.22 -19.21 61.38 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.544 -0.722 . . . . 0.0 109.314 176.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.911 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.09 -35.43 10.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.896 ' N ' HD13 ' A' ' 14' ' ' LEU 0.302 0.1 OUTLIER -55.65 -41.98 74.4 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.495 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -37.31 -71.57 0.07 Allowed 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.422 -1.717 . . . . 0.0 111.481 178.226 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.911 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -81.31 -166.91 1.27 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.775 -0.578 . . . . 0.0 111.052 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.751 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.94 -160.65 0.19 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.587 -0.695 . . . . 0.0 109.624 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.35 -95.95 0.15 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.61 -58.5 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.781 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -68.75 -28.14 66.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.0 110.468 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -61.95 -45.23 94.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.252 -0.905 . . . . 0.0 110.805 -179.067 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -64.37 -14.67 57.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.988 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.496 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -80.61 -51.16 9.05 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' N ' ' HG2' ' A' ' 8' ' ' MET . 1.9 tptm -62.74 -41.11 99.03 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' H ' ' A' ' 11' ' ' PHE 0.313 . . -51.3 -62.7 1.46 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 123.234 1.492 . . . . 0.0 108.57 176.643 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CD1' HD12 ' A' ' 14' ' ' LEU . 72.8 t80 -57.32 -59.97 4.33 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 112.843 -1.981 . . . . 0.0 112.009 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.648 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 2.7 mt-10 -53.56 -39.72 65.0 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 117.636 -1.626 . . . . 0.0 108.46 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.561 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.6 m -63.65 -18.89 64.42 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.409 -0.807 . . . . 0.0 109.146 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -94.81 -36.99 11.44 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.471 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.925 ' N ' HD13 ' A' ' 14' ' ' LEU 0.298 0.0 OUTLIER -53.85 -43.34 69.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 175.548 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.6 m -34.52 -52.03 0.49 Allowed 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.551 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.906 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 7.1 p90 -108.08 20.94 18.07 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.445 -0.784 . . . . 0.0 111.328 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.453 0 O-C-N 119.434 -2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.39 116.72 8.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -69.75 0.69 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.822 ' CB ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -101.34 63.02 0.96 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.754 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -36.97 -40.92 0.31 Allowed 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.148 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -44.58 83.12 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.644 -1.285 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD23 ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -58.5 -20.9 49.63 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.849 178.105 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 89.2 mmm -80.94 -54.75 5.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.281 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -57.84 -45.01 86.85 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.311 . . -47.6 -59.9 2.93 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 123.291 1.519 . . . . 0.0 108.898 177.271 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.963 ' HA ' HD12 ' A' ' 14' ' ' LEU . 58.5 t80 -65.19 -56.07 14.96 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 113.204 -1.816 . . . . 0.0 112.51 -177.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 20.2 mm-40 -53.28 -34.94 59.34 Favored 'General case' 0 C--N 1.285 -2.231 0 C-N-CA 118.0 -1.48 . . . . 0.0 107.541 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 55.2 m -57.71 -34.92 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.963 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.5 mt -70.44 -42.07 72.04 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 176.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.651 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.331 0.0 OUTLIER -54.55 -44.41 72.84 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.999 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.529 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -57.4 -69.57 0.16 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.903 177.647 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.894 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 5.6 p90 -89.45 34.43 0.82 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.144 -0.973 . . . . 0.0 111.457 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 119.267 -2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ttm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.77 -0.455 . . . . 0.0 109.77 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.82 61.65 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.062 -1.024 . . . . 0.0 109.165 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.98 -60.87 1.7 Allowed 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 10.9 mt -96.36 27.81 3.59 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.294 -0.879 . . . . 0.0 109.94 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -30.22 4.22 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.223 -0.923 . . . . 0.0 111.159 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.13 -34.54 77.8 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.443 -0.786 . . . . 0.0 111.17 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -43.5 -29.45 0.46 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.722 -0.611 . . . . 0.0 111.148 179.637 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.2 mtt -67.21 -61.45 1.91 Allowed 'General case' 0 C--N 1.296 -1.726 0 C-N-CA 118.917 -1.113 . . . . 0.0 109.606 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 tptp -64.74 -35.79 82.22 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' ' 7' ' ' LEU 0.314 . . -55.15 -59.07 5.28 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.027 1.394 . . . . 0.0 108.511 177.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' O ' ' HB3' ' A' ' 14' ' ' LEU . 18.9 t80 -63.61 -49.62 72.6 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.037 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.5 mt-10 -60.91 -40.5 93.38 Favored 'General case' 0 C--N 1.277 -2.57 0 C-N-CA 115.887 -2.325 . . . . 0.0 106.814 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.529 ' O ' ' HB2' ' A' ' 16' ' ' SER . 39.4 m -63.31 -17.7 62.82 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.361 -0.837 . . . . 0.0 108.893 175.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.95 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE 0.255 0.2 OUTLIER -87.88 -43.12 12.04 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 178.545 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.302 0.9 OUTLIER -47.59 -45.1 26.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.085 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.532 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -37.81 -57.62 0.99 Allowed 'General case' 0 N--CA 1.493 1.723 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.619 176.77 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.95 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.2 p90 -101.42 27.16 6.48 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.938 -0.476 . . . . 0.0 110.774 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 O-C-N 119.572 -1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.29 50.34 0.39 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.027 -1.046 . . . . 0.0 110.527 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.78 -55.85 2.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.146 -0.971 . . . . 0.0 108.926 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.485 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.26 59.51 5.67 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.53 -38.95 10.08 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.661 -0.649 . . . . 0.0 110.593 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -52.19 -48.95 64.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.175 -0.953 . . . . 0.0 110.919 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -53.61 -16.33 1.54 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.713 -0.617 . . . . 0.0 110.524 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 3.5 ptm -81.67 -46.71 13.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.708 -1.245 . . . . 0.0 108.863 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 8' ' ' MET . 1.8 ttmm -66.45 -40.18 89.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.307 . . -52.3 -61.9 1.98 Allowed 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 123.347 1.546 . . . . 0.0 108.184 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.721 ' CD1' HD12 ' A' ' 14' ' ' LEU . 75.4 t80 -57.95 -59.95 4.47 Favored 'General case' 0 C--N 1.288 -2.088 0 CA-C-N 112.743 -2.026 . . . . 0.0 111.562 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.684 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -51.06 -42.38 60.5 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 118.243 -1.383 . . . . 0.0 108.52 -177.613 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.1 m -60.82 -21.53 63.26 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.943 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -96.08 -35.86 11.21 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.921 ' N ' HD13 ' A' ' 14' ' ' LEU 0.303 0.2 OUTLIER -55.67 -46.23 77.58 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 175.729 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' SER 0.258 14.6 m -32.83 -54.93 0.37 Allowed 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.075 -1.875 . . . . 0.0 111.9 177.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.943 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.3 p90 -106.39 12.96 29.2 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.498 -0.751 . . . . 0.0 111.274 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.596 0 O-C-N 119.598 -1.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tmm? . . . . . 0 N--CA 1.494 1.775 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.797 ' HB2' HD23 ' A' ' 7' ' ' LEU . . . -135.79 120.27 18.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.094 -1.004 . . . . 0.0 111.5 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -70.82 -51.77 24.64 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.47 -75.82 0.2 Allowed 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.07 -25.2 2.05 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.311 -0.868 . . . . 0.0 110.915 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -33.21 -55.48 0.41 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD23 ' HB2' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -46.01 -21.79 0.17 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.415 -0.803 . . . . 0.0 110.844 -179.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 98.2 mmm -79.17 -56.98 3.96 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.286 -0.884 . . . . 0.0 109.952 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' CA ' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.26 -35.53 80.65 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 178.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' HB3' ' H ' ' A' ' 11' ' ' PHE 0.328 . . -54.19 -60.26 3.58 Favored 'General case' 0 N--CA 1.497 1.885 0 CA-C-O 123.661 1.696 . . . . 0.0 107.274 176.095 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 15' ' ' LYS . 73.7 t80 -59.03 -56.06 27.11 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 112.665 -2.061 . . . . 0.0 110.751 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 1.9 mt-10 -50.57 -44.2 56.64 Favored 'General case' 0 C--N 1.289 -2.047 0 C-N-CA 118.663 -1.215 . . . . 0.0 108.419 -177.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.4 m -58.49 -22.49 55.1 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.671 0.748 . . . . 0.0 109.502 177.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.923 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.06 -38.97 10.39 Favored 'General case' 0 N--CA 1.495 1.804 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.92 ' N ' HD13 ' A' ' 14' ' ' LEU 0.308 0.0 OUTLIER -52.43 -43.81 65.07 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.511 ' HB2' ' O ' ' A' ' 13' ' ' SER . 2.6 m -34.73 -58.87 0.49 Allowed 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.032 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.923 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 7.3 p90 -97.15 -168.06 1.64 Allowed 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.735 -0.603 . . . . 0.0 110.942 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.395 0 O-C-N 119.466 -2.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.185 0.517 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.96 42.28 1.31 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.491 -0.756 . . . . 0.0 110.043 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.81 -55.31 3.04 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.192 -0.942 . . . . 0.0 109.396 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.832 ' HB3' HD23 ' A' ' 7' ' ' LEU . 7.4 mt -91.81 13.64 17.75 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.131 -0.981 . . . . 0.0 110.902 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.21 -36.3 0.21 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 121.712 -0.618 . . . . 0.0 112.147 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.13 59.91 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.118 -0.989 . . . . 0.0 110.717 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' A' ' 4' ' ' LEU . 1.9 pp -55.97 -16.12 4.4 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.711 -0.795 . . . . 0.0 110.222 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.427 ' HG3' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.22 -44.27 76.12 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.881 -1.137 . . . . 0.0 109.683 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' H ' ' HG3' ' A' ' 8' ' ' MET . 8.0 tptp -64.87 -43.49 92.78 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 177.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -51.11 -65.35 0.57 Allowed 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 123.24 1.495 . . . . 0.0 108.729 176.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.571 ' CD1' HD12 ' A' ' 14' ' ' LEU . 92.4 t80 -54.75 -56.78 15.63 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 112.64 -2.073 . . . . 0.0 111.68 -178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -53.86 -42.08 68.16 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.138 -1.425 . . . . 0.0 107.349 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.7 m -76.26 14.06 0.81 Allowed 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.95 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.969 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -125.64 -48.42 1.66 Allowed 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.969 ' N ' HD13 ' A' ' 14' ' ' LEU 0.319 0.1 OUTLIER -47.94 -32.51 6.48 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 173.475 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.6 m -47.32 -71.76 0.06 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.033 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.918 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -78.62 -19.21 53.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.838 -0.539 . . . . 0.0 111.12 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.446 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.473 -2.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 ttm . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 120.408 0.147 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.99 58.97 4.0 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.111 -0.993 . . . . 0.0 110.156 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -85.25 -52.7 5.73 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.539 -0.725 . . . . 0.0 109.097 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' A' ' 7' ' ' LEU . 1.1 mm? -105.6 25.56 10.61 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.484 -0.76 . . . . 0.0 110.484 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.45 -33.05 0.6 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.77 -0.581 . . . . 0.0 111.546 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 -34.16 63.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.998 -1.064 . . . . 0.0 110.589 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.649 HD23 ' HB3' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -60.03 -16.57 32.13 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.994 179.277 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.426 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -75.51 -47.18 28.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.819 -1.175 . . . . 0.0 109.122 179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' N ' ' CG ' ' A' ' 8' ' ' MET . 2.2 tttp -66.24 -39.25 89.38 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.323 . . -53.22 -59.91 3.96 Favored 'General case' 0 N--CA 1.496 1.868 0 CA-C-O 123.572 1.653 . . . . 0.0 108.062 176.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.925 ' HA ' HD12 ' A' ' 14' ' ' LEU . 68.3 t80 -63.04 -55.31 26.64 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.821 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.58 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.9 mm-40 -53.85 -36.68 62.83 Favored 'General case' 0 C--N 1.285 -2.23 0 C-N-CA 117.805 -1.558 . . . . 0.0 107.252 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.715 ' O ' ' HB2' ' A' ' 16' ' ' SER . 20.3 m -58.37 -28.06 64.79 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.9 mt -80.66 -40.03 26.23 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' N ' ' A' ' 16' ' ' SER 0.319 0.0 OUTLIER -50.07 -45.33 52.35 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 105.591 -2.003 . . . . 0.0 105.591 176.696 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.715 ' HB2' ' O ' ' A' ' 13' ' ' SER . 1.8 m -48.16 -66.07 0.46 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.185 -1.37 . . . . 0.0 110.521 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.854 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.4 p90 -92.16 34.66 1.02 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.397 -0.814 . . . . 0.0 111.294 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.512 0 O-C-N 119.694 -1.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.26 48.82 1.04 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.371 -0.831 . . . . 0.0 110.725 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.405 ' OG1' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -87.14 -77.41 0.33 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.079 -1.013 . . . . 0.0 109.926 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -144.64 -80.18 0.18 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.243 -0.911 . . . . 0.0 110.464 179.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.06 -52.12 0.06 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.087 -1.008 . . . . 0.0 110.309 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.66 -29.51 4.45 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.602 -0.687 . . . . 0.0 110.64 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.1 pp -46.66 -21.68 0.22 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 120.96 0.41 . . . . 0.0 110.381 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.461 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 79.9 mmm -64.05 -54.36 35.37 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.079 -1.013 . . . . 0.0 109.479 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -41.88 91.04 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.326 . . -54.15 -61.29 2.4 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 123.561 1.648 . . . . 0.0 108.873 177.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 14' ' ' LEU . 82.9 t80 -60.22 -57.82 11.18 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 112.619 -2.082 . . . . 0.0 111.883 -177.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.688 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 2.4 mm-40 -51.81 -41.26 61.59 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.484 -1.286 . . . . 0.0 107.778 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' A' ' 16' ' ' SER . 36.7 m -58.16 -23.61 55.94 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.695 0.759 . . . . 0.0 109.21 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -95.28 -39.0 10.28 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 178.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.968 ' N ' HD13 ' A' ' 14' ' ' LEU 0.314 0.0 OUTLIER -54.79 -41.0 70.03 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 175.747 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.564 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 2.8 m -37.24 -59.54 0.73 Allowed 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.926 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.92 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 4.3 p90 -94.25 -172.5 2.82 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 121.734 -0.604 . . . . 0.0 111.077 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.488 0 O-C-N 119.699 -1.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtp . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -83.96 77.63 9.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.32 -0.863 . . . . 0.0 109.108 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m -104.47 -57.17 2.07 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.455 -0.778 . . . . 0.0 110.01 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.804 ' HA ' HD23 ' A' ' 7' ' ' LEU . 13.1 mt -56.8 -50.41 72.43 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.566 -0.709 . . . . 0.0 109.777 179.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.415 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.6 pm0 -61.09 -35.16 76.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.706 -0.621 . . . . 0.0 110.802 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -78.53 -47.59 17.0 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.828 -1.17 . . . . 0.0 110.101 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -57.24 -19.38 21.02 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.334 -0.946 . . . . 0.0 108.888 178.353 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.432 ' HE3' ' HG3' ' A' ' 12' ' ' GLU . 34.7 mmm -81.45 -53.95 5.86 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.494 -0.753 . . . . 0.0 109.239 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -40.84 90.36 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.339 . . -52.91 -55.25 24.73 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-O 123.666 1.698 . . . . 0.0 108.653 176.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.928 ' HA ' HD12 ' A' ' 14' ' ' LEU . 76.7 t80 -68.72 -55.57 10.92 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 112.519 -2.128 . . . . 0.0 112.603 -176.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -52.61 -33.36 46.04 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 118.188 -1.405 . . . . 0.0 107.238 -178.12 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m -59.77 -35.79 75.33 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.6 mt -70.91 -40.41 72.17 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 176.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.337 0.6 OUTLIER -53.77 -43.13 68.98 Favored 'General case' 0 C--N 1.289 -2.034 0 N-CA-C 105.213 -2.143 . . . . 0.0 105.213 176.227 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.508 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -64.41 -74.58 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 113.974 -1.467 . . . . 0.0 112.348 177.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.857 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 2.8 p90 -84.64 9.02 14.89 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.387 -0.82 . . . . 0.0 112.762 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.523 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.297 -1.709 0 O-C-N 119.038 -2.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.222 0.534 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.987 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -94.27 -165.94 1.4 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.4 -0.813 . . . . 0.0 109.494 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 p -79.93 -56.54 4.18 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 120.85 -1.157 . . . . 0.0 109.239 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 ' HG ' ' HG3' ' A' ' 5' ' ' GLU . 13.2 tp -107.59 -108.2 0.32 Allowed 'General case' 0 C--N 1.308 -1.221 0 O-C-N 121.336 -0.853 . . . . 0.0 109.524 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.648 ' HG3' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -148.03 -59.81 0.25 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.548 -1.345 . . . . 0.0 111.751 -179.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -42.02 21.11 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.124 -0.985 . . . . 0.0 112.64 -177.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.987 HD21 ' HB1' ' A' ' 2' ' ' ALA . 0.7 OUTLIER -55.19 -17.63 4.63 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 110.607 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.01 -54.21 6.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.903 -1.123 . . . . 0.0 109.469 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.25 -37.38 77.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.319 . . -56.15 -59.86 4.32 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 123.304 1.526 . . . . 0.0 108.336 176.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.925 ' HA ' HD12 ' A' ' 14' ' ' LEU . 63.1 t80 -65.91 -57.25 8.28 Favored 'General case' 0 C--N 1.287 -2.135 0 CA-C-N 112.867 -1.97 . . . . 0.0 113.309 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -53.51 -31.5 46.36 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 117.775 -1.57 . . . . 0.0 107.339 -177.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.622 ' O ' ' HB2' ' A' ' 16' ' ' SER . 2.3 m -60.13 -35.55 75.5 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.9 mt -69.51 -39.64 77.44 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.339 0.1 OUTLIER -57.87 -46.3 85.04 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 176.031 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.622 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.9 OUTLIER -55.86 -67.93 0.25 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.789 178.042 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.905 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 7.2 p90 -90.2 35.37 0.86 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.085 -1.01 . . . . 0.0 111.038 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.183 -2.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 mtm . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.3 58.21 3.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.356 -0.84 . . . . 0.0 108.927 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -90.75 -70.69 0.66 Allowed 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.425 -0.797 . . . . 0.0 109.779 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER 37.57 53.02 1.38 Allowed 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.279 0.562 . . . . 0.0 111.029 179.239 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -49.69 -29.45 7.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.498 -0.751 . . . . 0.0 111.231 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.9 OUTLIER -60.33 -32.68 71.47 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.453 -0.779 . . . . 0.0 110.48 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.03 -20.19 2.29 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.478 -0.764 . . . . 0.0 110.291 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ptm -66.78 -43.23 84.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.083 -1.01 . . . . 0.0 109.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 13' ' ' SER . 0.0 OUTLIER -73.96 -43.1 59.34 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 177.682 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.316 . . -46.56 -60.08 2.59 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 123.533 1.635 . . . . 0.0 107.995 176.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.959 ' CA ' HD12 ' A' ' 14' ' ' LEU . 49.3 t80 -61.01 -59.06 5.96 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.499 -2.137 . . . . 0.0 113.38 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.612 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 2.8 mt-10 -53.98 -34.74 60.64 Favored 'General case' 0 C--N 1.284 -2.252 0 C-N-CA 117.529 -1.669 . . . . 0.0 107.414 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.603 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.3 m -65.33 -33.04 75.03 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.188 -0.945 . . . . 0.0 108.618 176.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.959 HD12 ' CA ' ' A' ' 11' ' ' PHE . 6.4 mt -70.09 -37.5 75.42 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 177.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.326 0.6 OUTLIER -51.88 -41.33 61.81 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 105.97 -1.863 . . . . 0.0 105.97 176.979 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.603 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -61.92 -74.56 0.08 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.172 -1.376 . . . . 0.0 111.82 178.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.832 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 12.9 p90 -80.88 -12.31 59.44 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.309 -0.869 . . . . 0.0 112.846 -177.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.547 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.293 -1.865 0 O-C-N 118.918 -2.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtp . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 120.955 0.407 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.72 86.39 7.14 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.19 -0.944 . . . . 0.0 109.736 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -154.48 -66.56 0.13 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.396 -0.815 . . . . 0.0 111.48 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.8 mt -59.47 -29.82 68.08 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.36 -0.838 . . . . 0.0 113.052 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.9 -19.87 1.99 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 121.087 -1.008 . . . . 0.0 111.219 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -49.42 76.15 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.108 -0.995 . . . . 0.0 110.48 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -56.07 -15.67 3.95 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.123 179.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.466 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -76.27 -51.46 11.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.025 -1.047 . . . . 0.0 108.959 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 8' ' ' MET . 2.2 tptp -66.44 -36.96 84.1 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.313 . . -53.65 -59.38 4.68 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-O 123.46 1.6 . . . . 0.0 107.895 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CD1' HD12 ' A' ' 14' ' ' LEU . 91.8 t80 -59.19 -56.85 16.93 Favored 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 112.817 -1.992 . . . . 0.0 111.097 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 81.4 mt-10 -51.53 -43.94 62.47 Favored 'General case' 0 C--N 1.287 -2.119 0 C-N-CA 118.45 -1.3 . . . . 0.0 108.278 -178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 16' ' ' SER . 34.6 m -60.74 -22.47 64.06 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.946 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -91.78 -37.71 12.8 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.923 ' N ' HD13 ' A' ' 14' ' ' LEU 0.305 0.0 OUTLIER -51.27 -42.96 61.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 175.534 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.594 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -38.87 -57.85 1.17 Allowed 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.125 178.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.946 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 17.5 p90 -98.38 -26.9 14.33 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.384 -0.822 . . . . 0.0 111.062 -179.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 119.417 -2.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmm . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.64 118.09 9.04 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.486 -0.759 . . . . 0.0 109.767 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.48 -71.41 0.39 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.754 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.861 HD22 HD23 ' A' ' 7' ' ' LEU . 1.2 mt -134.84 24.15 3.63 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.931 -1.106 . . . . 0.0 112.031 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -17.91 59.34 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.74 -1.225 . . . . 0.0 109.809 178.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -57.65 -50.81 71.92 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.418 -0.801 . . . . 0.0 110.409 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD23 HD22 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -55.89 -16.41 4.61 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.97 179.047 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.622 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -77.26 -46.36 23.37 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.828 -1.17 . . . . 0.0 108.621 179.408 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.622 ' N ' ' HG2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -66.16 -45.1 82.14 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.343 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.328 . . -48.08 -56.15 8.47 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 123.716 1.722 . . . . 0.0 108.808 177.023 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.947 ' HA ' HD12 ' A' ' 14' ' ' LEU . 72.6 t80 -66.59 -57.54 7.03 Favored 'General case' 0 C--N 1.288 -2.105 0 CA-C-N 112.477 -2.147 . . . . 0.0 112.805 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.673 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 11.0 mm-40 -54.35 -34.24 60.69 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 117.358 -1.737 . . . . 0.0 107.609 -177.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.647 ' O ' ' HB2' ' A' ' 16' ' ' SER . 32.9 m -57.5 -21.5 38.16 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 176.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.6 mt -87.33 -42.29 12.99 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 107.678 -1.231 . . . . 0.0 107.678 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.308 0.0 OUTLIER -47.71 -42.32 24.79 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 176.539 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.647 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.9 m -45.09 -61.11 1.76 Allowed 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 114.086 -1.415 . . . . 0.0 109.523 177.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.92 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.5 p90 -98.87 37.27 1.54 Allowed 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.452 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.514 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mmm . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 120.613 0.245 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.634 ' HB1' ' HB3' ' A' ' 5' ' ' GLU . . . -81.41 110.83 17.21 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.84 -1.162 . . . . 0.0 111.062 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 m -96.99 -47.31 5.85 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.457 -0.777 . . . . 0.0 109.251 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.622 ' HB3' HD23 ' A' ' 7' ' ' LEU . 5.7 mp -111.31 44.77 1.27 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.599 -0.688 . . . . 0.0 109.797 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.634 ' HB3' ' HB1' ' A' ' 2' ' ' ALA . 2.3 pt-20 -62.0 -19.56 62.96 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.467 -0.771 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -46.48 82.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.919 -1.113 . . . . 0.0 109.902 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.771 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -59.69 -15.67 21.29 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.55 178.581 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.533 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -77.65 -55.32 5.45 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.102 -0.999 . . . . 0.0 108.86 179.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -58.97 -40.42 84.72 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.322 . . -50.13 -60.9 2.51 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 123.283 1.515 . . . . 0.0 108.852 176.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.3 t80 -60.57 -58.98 6.17 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 112.83 -1.986 . . . . 0.0 111.311 -178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.655 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 52.6 mm-40 -51.13 -42.9 61.03 Favored 'General case' 0 C--N 1.285 -2.202 0 C-N-CA 118.509 -1.276 . . . . 0.0 108.345 -177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.555 ' O ' ' HB2' ' A' ' 16' ' ' SER . 37.4 m -59.63 -21.72 60.85 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 121.488 0.661 . . . . 0.0 109.278 176.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -94.67 -41.01 9.51 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 178.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.924 ' N ' HD13 ' A' ' 14' ' ' LEU 0.307 0.0 OUTLIER -48.56 -44.73 36.81 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 175.172 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.555 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.8 m -35.78 -63.19 0.38 Allowed 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.801 177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.916 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 11.6 p90 -93.73 -23.61 18.14 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.58 -0.7 . . . . 0.0 111.106 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.273 0 O-C-N 119.395 -2.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ttm . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.43 81.11 1.76 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.265 -0.897 . . . . 0.0 110.129 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.3 p -77.72 -42.19 35.18 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.982 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -126.25 75.72 1.55 Allowed 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 178.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -35.06 -45.98 0.3 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -36.87 66.51 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.922 -1.111 . . . . 0.0 111.057 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.982 HD23 ' HB3' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -63.69 -13.1 39.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.258 -0.901 . . . . 0.0 109.962 179.129 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.462 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 4.6 ptm -77.35 -47.21 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.783 -1.198 . . . . 0.0 108.362 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 8' ' ' MET . 2.0 tptp -64.06 -39.16 93.46 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -53.0 -59.88 3.98 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-O 123.512 1.625 . . . . 0.0 108.632 177.067 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.954 ' HA ' HD12 ' A' ' 14' ' ' LEU . 73.4 t80 -63.98 -57.24 10.32 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 112.794 -2.003 . . . . 0.0 112.79 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -53.22 -34.02 55.29 Favored 'General case' 0 C--N 1.286 -2.156 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.137 -177.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.553 ' O ' ' HB2' ' A' ' 16' ' ' SER . 30.5 m -67.89 -2.72 7.89 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.362 -0.836 . . . . 0.0 110.57 176.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.954 HD12 ' HA ' ' A' ' 11' ' ' PHE . 1.3 mt -92.2 -50.28 5.75 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' GLU 0.366 14.3 ttpp -42.17 -35.01 0.84 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 174.778 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.553 ' HB2' ' O ' ' A' ' 13' ' ' SER . 33.3 m -52.64 -57.53 9.76 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.977 177.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.889 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -101.6 -22.3 14.5 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.565 -0.709 . . . . 0.0 111.615 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.293 -1.861 0 O-C-N 119.323 -2.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtp . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.256 0.55 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.11 163.23 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.453 -0.78 . . . . 0.0 109.359 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.622 ' HB ' HD12 ' A' ' 4' ' ' LEU . 1.9 p -108.36 -75.83 0.62 Allowed 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.554 -0.716 . . . . 0.0 109.415 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.788 HD23 HD11 ' A' ' 7' ' ' LEU . 2.0 mp -119.18 41.46 3.07 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.414 -0.804 . . . . 0.0 108.937 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' HG3' ' HD2' ' A' ' 6' ' ' LYS . 12.4 pt-20 -39.27 -37.97 0.47 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HD2' ' HG3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -118.66 -53.34 2.31 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.816 -1.177 . . . . 0.0 112.012 -178.434 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.788 HD11 HD23 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -51.82 -15.77 0.57 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.588 -0.845 . . . . 0.0 110.917 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.509 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 5.8 ptt? -76.82 -46.27 25.51 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.835 -1.166 . . . . 0.0 109.814 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.509 ' N ' ' HG3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -67.87 -36.66 80.66 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 178.015 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.317 . . -54.71 -62.81 1.41 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 123.412 1.577 . . . . 0.0 107.79 176.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 14' ' ' LEU . 89.5 t80 -56.86 -58.66 7.14 Favored 'General case' 0 C--N 1.285 -2.197 0 CA-C-N 112.675 -2.057 . . . . 0.0 111.486 -178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.642 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 5.7 mm-40 -50.88 -44.23 59.75 Favored 'General case' 0 C--N 1.29 -1.98 0 C-N-CA 118.266 -1.373 . . . . 0.0 108.193 -177.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 16' ' ' SER . 57.8 m -59.1 -23.08 61.77 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.476 -0.765 . . . . 0.0 109.355 176.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.945 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -92.96 -37.09 12.41 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.938 ' N ' HD13 ' A' ' 14' ' ' LEU 0.298 0.0 OUTLIER -52.21 -44.16 64.63 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 175.805 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.598 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -37.24 -57.73 0.86 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-N 113.75 -1.568 . . . . 0.0 111.29 177.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.945 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 10.8 p90 -101.14 22.68 11.96 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.724 -0.61 . . . . 0.0 110.781 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 O-C-N 119.29 -2.131 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -166.22 87.26 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.567 -0.708 . . . . 0.0 110.446 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.92 -69.85 0.82 Allowed 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.228 -0.92 . . . . 0.0 109.634 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.753 ' HA ' HD23 ' A' ' 7' ' ' LEU . 3.1 pp -67.11 -38.16 85.14 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.201 -0.937 . . . . 0.0 110.427 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.2 pm0 -59.64 -19.83 51.95 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.149 -0.97 . . . . 0.0 109.467 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.39 -34.09 21.83 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.343 -0.848 . . . . 0.0 109.55 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -61.59 -16.19 45.87 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.603 -0.686 . . . . 0.0 109.159 178.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.8 mmt -72.82 -52.31 15.42 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.177 -0.952 . . . . 0.0 108.876 179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -60.14 -40.52 90.09 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.32 . . -53.16 -63.43 1.15 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-O 123.324 1.535 . . . . 0.0 108.48 177.158 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 14' ' ' LEU . 86.9 t80 -55.08 -61.01 2.6 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 112.857 -1.974 . . . . 0.0 111.833 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 3.6 mm-40 -52.97 -41.61 64.72 Favored 'General case' 0 C--N 1.289 -2.042 0 C-N-CA 118.053 -1.459 . . . . 0.0 108.582 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 16' ' ' SER . 70.8 m -62.47 -19.37 63.47 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.506 -0.746 . . . . 0.0 109.045 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.917 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -94.48 -36.87 11.67 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.902 ' N ' HD13 ' A' ' 14' ' ' LEU 0.312 0.0 OUTLIER -56.01 -44.05 78.29 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 175.279 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' SER 0.26 3.4 m -32.89 -61.19 0.29 Allowed 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 113.337 -1.756 . . . . 0.0 111.723 177.285 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.917 ' CE2' ' HA ' ' A' ' 14' ' ' LEU . 6.3 p90 -94.92 16.79 15.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.623 -0.673 . . . . 0.0 111.435 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.538 0 O-C-N 119.285 -2.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.21 134.45 52.74 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.275 -0.89 . . . . 0.0 109.665 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -25.18 54.99 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.396 -0.815 . . . . 0.0 109.806 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.476 ' C ' ' CG ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -74.85 -24.55 58.61 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.372 -0.83 . . . . 0.0 111.354 -179.49 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CG ' ' C ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER 62.97 -47.79 0.2 Allowed 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.873 -0.517 . . . . 0.0 112.021 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -25.05 -48.98 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -51.01 -16.46 0.45 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.01 -1.056 . . . . 0.0 111.011 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.634 ' HG3' ' N ' ' A' ' 9' ' ' LYS . 5.9 ptp -74.46 -45.05 48.76 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.703 -1.248 . . . . 0.0 109.661 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.634 ' N ' ' HG3' ' A' ' 8' ' ' MET . 7.1 tttm -63.65 -37.09 86.04 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.324 . . -55.21 -58.99 5.44 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 123.101 1.429 . . . . 0.0 108.525 176.574 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.998 ' HA ' HD12 ' A' ' 14' ' ' LEU . 76.0 t80 -68.13 -57.06 6.68 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 112.899 -1.955 . . . . 0.0 113.271 -177.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 17.5 mm-40 -51.17 -34.55 31.91 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 118.281 -1.367 . . . . 0.0 107.435 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 16' ' ' SER . 1.4 m -56.78 -34.94 68.12 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 176.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.998 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.0 mt -71.87 -39.93 69.29 Favored 'General case' 0 N--CA 1.501 2.094 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 177.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.585 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.327 0.1 OUTLIER -55.9 -45.12 78.74 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 176.522 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.611 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.0 m -59.56 -71.27 0.13 Allowed 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 114.133 -1.394 . . . . 0.0 110.643 177.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.865 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 4.8 p90 -87.46 41.96 1.01 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.782 -1.199 . . . . 0.0 111.493 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.563 0 O-C-N 119.512 -1.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 ttm . . . . . 0 N--CA 1.493 1.711 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.72 57.54 0.58 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.918 -1.114 . . . . 0.0 109.865 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.01 -19.32 14.62 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.375 -0.828 . . . . 0.0 110.719 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' O ' HD23 ' A' ' 7' ' ' LEU . 4.5 mm? -81.76 48.03 1.15 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.278 -0.889 . . . . 0.0 110.451 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -31.12 65.21 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.161 -0.962 . . . . 0.0 110.909 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -33.95 67.14 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.208 -0.933 . . . . 0.0 110.444 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -52.47 -20.26 2.77 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.284 179.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.48 ' CG ' ' N ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.8 -54.2 10.95 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.361 -0.837 . . . . 0.0 109.193 179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.528 ' HA ' ' HD3' ' A' ' 9' ' ' LYS . 2.3 tppm? -62.38 -36.65 82.96 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 177.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.319 . . -53.74 -62.87 1.37 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 123.545 1.641 . . . . 0.0 107.739 176.269 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' CD1' HD12 ' A' ' 14' ' ' LEU . 76.2 t80 -54.0 -57.28 11.62 Favored 'General case' 0 C--O 1.19 -2.035 0 CA-C-N 112.618 -2.083 . . . . 0.0 110.875 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 63.9 mt-10 -51.07 -46.73 61.83 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.751 -1.18 . . . . 0.0 108.068 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 16' ' ' SER . 60.9 m -62.85 -18.27 62.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.555 -0.715 . . . . 0.0 109.497 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.93 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -95.14 -34.83 12.12 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 178.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.854 ' N ' HD13 ' A' ' 14' ' ' LEU 0.311 0.0 OUTLIER -55.47 -44.38 76.4 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 175.408 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' A' ' 13' ' ' SER . 2.1 m -36.38 -57.9 0.72 Allowed 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.314 -1.766 . . . . 0.0 112.031 177.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.93 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 p90 -101.62 -178.97 3.88 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.751 -0.593 . . . . 0.0 110.942 -178.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 0 O-C-N 119.57 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.545 ' SD ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.64 81.63 1.92 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.228 -0.92 . . . . 0.0 110.044 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.545 HG23 ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -80.81 -58.78 2.94 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.363 -0.836 . . . . 0.0 109.033 179.64 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 7' ' ' LEU . 17.0 mt -125.06 57.25 1.3 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.542 -0.724 . . . . 0.0 110.279 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -63.27 -15.49 57.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.196 -0.94 . . . . 0.0 110.503 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.2 -35.78 12.46 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.565 -0.709 . . . . 0.0 110.761 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.4 pp -55.78 -15.57 3.36 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.497 -0.752 . . . . 0.0 110.208 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 3.9 mmt -74.44 -51.08 15.92 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.087 -1.008 . . . . 0.0 109.612 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -58.03 -39.87 79.45 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 7' ' ' LEU 0.331 . . -57.03 -65.51 0.61 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 123.262 1.506 . . . . 0.0 108.855 176.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' A' ' 14' ' ' LEU . 82.5 t80 -55.89 -58.7 6.75 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 113.214 -1.812 . . . . 0.0 111.758 -178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.657 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -51.37 -43.28 61.83 Favored 'General case' 0 C--N 1.285 -2.196 0 C-N-CA 118.732 -1.187 . . . . 0.0 108.427 -177.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' SER . 25.4 m -61.22 -19.21 61.38 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.544 -0.722 . . . . 0.0 109.314 176.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.911 ' HA ' ' CZ ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -97.09 -35.43 10.81 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.896 ' N ' HD13 ' A' ' 14' ' ' LEU 0.302 0.1 OUTLIER -55.65 -41.98 74.4 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.495 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -37.31 -71.57 0.07 Allowed 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 113.422 -1.717 . . . . 0.0 111.481 178.226 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.911 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 p90 -81.31 -166.91 1.27 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.775 -0.578 . . . . 0.0 111.052 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.44 0 O-C-N 119.751 -1.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 mmt . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.94 -160.65 0.19 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.587 -0.695 . . . . 0.0 109.624 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -93.35 -95.95 0.15 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.162 -0.961 . . . . 0.0 109.368 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.61 -58.5 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.297 -0.877 . . . . 0.0 109.781 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' HG2' ' N ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -68.75 -28.14 66.53 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.309 -0.87 . . . . 0.0 110.468 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -61.95 -45.23 94.59 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.252 -0.905 . . . . 0.0 110.805 -179.067 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -64.37 -14.67 57.75 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 119.258 -0.977 . . . . 0.0 108.988 178.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.496 ' HG2' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -80.61 -51.16 9.05 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 179.691 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' N ' ' HG2' ' A' ' 8' ' ' MET . 1.9 tptm -62.74 -41.11 99.03 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' H ' ' A' ' 11' ' ' PHE 0.313 . . -51.3 -62.7 1.46 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 123.234 1.492 . . . . 0.0 108.57 176.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.693 ' CD1' HD12 ' A' ' 14' ' ' LEU . 72.8 t80 -57.32 -59.97 4.33 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 112.843 -1.981 . . . . 0.0 112.009 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.648 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 2.7 mt-10 -53.56 -39.72 65.0 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 117.636 -1.626 . . . . 0.0 108.46 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.561 ' O ' ' HB2' ' A' ' 16' ' ' SER . 58.6 m -63.65 -18.89 64.42 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.409 -0.807 . . . . 0.0 109.146 176.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.925 HD13 ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -94.81 -36.99 11.44 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 178.471 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.925 ' N ' HD13 ' A' ' 14' ' ' LEU 0.298 0.0 OUTLIER -53.85 -43.34 69.42 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 105.444 -2.058 . . . . 0.0 105.444 175.548 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.561 ' HB2' ' O ' ' A' ' 13' ' ' SER . 3.6 m -34.52 -52.03 0.49 Allowed 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.551 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.906 ' CZ ' ' HA ' ' A' ' 14' ' ' LEU . 7.1 p90 -108.08 20.94 18.07 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.445 -0.784 . . . . 0.0 111.328 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.453 0 O-C-N 119.434 -2.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.39 116.72 8.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.886 . . . . 0.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.05 -69.75 0.69 Allowed 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.822 ' CB ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -101.34 63.02 0.96 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 177.754 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.6 OUTLIER -36.97 -40.92 0.31 Allowed 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.148 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -44.58 83.12 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.644 -1.285 . . . . 0.0 110.545 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD23 ' CB ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -58.5 -20.9 49.63 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.091 -1.044 . . . . 0.0 108.849 178.105 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 89.2 mmm -80.94 -54.75 5.3 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.162 -0.961 . . . . 0.0 109.281 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -57.84 -45.01 86.85 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.564 ' O ' ' HB2' ' A' ' 13' ' ' SER 0.311 . . -47.6 -59.9 2.93 Favored 'General case' 0 N--CA 1.493 1.705 0 CA-C-O 123.291 1.519 . . . . 0.0 108.898 177.271 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.963 ' HA ' HD12 ' A' ' 14' ' ' LEU . 58.5 t80 -65.19 -56.07 14.96 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 113.204 -1.816 . . . . 0.0 112.51 -177.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.651 ' HA ' ' HB3' ' A' ' 15' ' ' LYS . 20.2 mm-40 -53.28 -34.94 59.34 Favored 'General case' 0 C--N 1.285 -2.231 0 C-N-CA 118.0 -1.48 . . . . 0.0 107.541 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.564 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 55.2 m -57.71 -34.92 69.98 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.963 HD12 ' HA ' ' A' ' 11' ' ' PHE . 2.5 mt -70.44 -42.07 72.04 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 107.289 -1.375 . . . . 0.0 107.289 176.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.651 ' HB3' ' HA ' ' A' ' 12' ' ' GLU 0.331 0.0 OUTLIER -54.55 -44.41 72.84 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 175.999 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.529 ' HB2' ' O ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -57.4 -69.57 0.16 Allowed 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.903 177.647 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.894 ' CE1' ' HA ' ' A' ' 14' ' ' LEU . 5.6 p90 -89.45 34.43 0.82 Allowed 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.144 -0.973 . . . . 0.0 111.457 -179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 119.267 -2.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_