data_6hvb_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6hvb _Structure_validation_residue.Date_analyzed 2019-01-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 CA--C 1.562 1.423 0 CA-C-O 122.217 1.008 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.2 t80 . . . . . 0 CA--C 1.577 1.984 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.298 -157.408 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 CA--C 1.573 1.853 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.15 137.78 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.14 -0.975 . . . . 0.0 109.915 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.65 78.16 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.227 -0.92 . . . . 0.0 113.07 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 170.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 122.253 1.025 . . . . 0.0 112.78 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 CA--C 1.577 2.003 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.245 -157.354 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 CA--C 1.573 1.86 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.14 137.81 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.114 -0.991 . . . . 0.0 109.915 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.69 78.17 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 113.073 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 171.032 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 CA--C 1.56 1.34 0 CA-C-O 122.251 1.024 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 CA--C 1.577 2.015 0 CA-C-O 117.085 -1.435 . . . . 0.0 111.281 -167.454 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt . . . . . 0 CA--C 1.576 1.974 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -114.48 130.66 56.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.96 1.255 . . . . 0.0 110.264 -166.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 t -134.87 84.54 2.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.637 -0.664 . . . . 0.0 112.672 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 172.484 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.56 1.365 0 CA-C-O 122.134 0.969 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.579 2.095 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.089 -167.733 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 CA--C 1.576 1.957 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -116.84 133.34 56.14 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.902 1.228 . . . . 0.0 110.286 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.37 83.56 2.0 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.507 -0.746 . . . . 0.0 112.584 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 CA--C 1.56 1.352 0 CA-C-O 122.261 1.029 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.5 t80 . . . . . 0 CA--C 1.577 2.007 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.903 -159.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -124.16 140.81 52.61 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 120.251 1.387 . . . . 0.0 111.001 -156.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -139.69 79.7 1.73 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.259 -0.901 . . . . 0.0 112.381 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 174.356 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.561 1.376 0 CA-C-O 122.367 1.079 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 CA--C 1.575 1.927 0 CA-C-O 116.926 -1.511 . . . . 0.0 109.697 -157.633 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 CA--C 1.574 1.9 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -118.78 141.26 48.79 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.978 1.263 . . . . 0.0 111.097 -157.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -134.73 74.48 1.53 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.254 -0.903 . . . . 0.0 112.857 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 174.59 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 CA--C 1.559 1.297 0 CA-C-O 122.382 1.087 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 . . . . . 0 CA--C 1.574 1.901 0 CA-C-O 116.531 -1.7 . . . . 0.0 109.247 -159.04 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.572 1.822 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.76 139.35 51.19 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.552 1.141 . . . . 0.0 110.021 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -142.73 77.86 1.59 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.369 -0.832 . . . . 0.0 112.045 167.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.489 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 CA--C 1.559 1.294 0 CA-C-O 122.253 1.025 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.576 1.951 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.786 -161.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 CA--C 1.573 1.847 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -126.06 139.42 53.41 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.425 1.011 . . . . 0.0 110.205 -172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -143.19 84.02 1.81 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.377 -0.827 . . . . 0.0 113.157 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 164.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 CA--C 1.558 1.282 0 CA-C-O 122.332 1.063 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 CA--C 1.575 1.932 0 CA-C-O 116.881 -1.533 . . . . 0.0 109.484 -158.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? . . . . . 0 CA--C 1.574 1.901 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -117.42 140.87 49.02 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.981 1.264 . . . . 0.0 110.971 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -141.59 78.95 1.66 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 112.208 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 174.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 CA--C 1.56 1.338 0 CA-C-O 122.226 1.012 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 CA--C 1.578 2.028 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.282 -162.191 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.4 pttt . . . . . 0 CA--C 1.576 1.951 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -120.19 132.22 55.29 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 120.036 1.289 . . . . 0.0 110.21 -166.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -138.83 86.51 2.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.596 -0.69 . . . . 0.0 112.143 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 171.24 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.31 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.28 126.86 31.33 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.217 1.008 . . . . 0.0 112.834 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -160.05 126.64 4.34 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.298 -157.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -103.62 20.22 18.36 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 168.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.15 137.78 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.14 -0.975 . . . . 0.0 109.915 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.65 78.16 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.227 -0.92 . . . . 0.0 113.07 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 170.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.296 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.3 m -79.44 126.88 31.42 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 122.253 1.025 . . . . 0.0 112.78 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -160.09 126.73 4.34 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.245 -157.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -103.59 20.15 18.48 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 168.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.14 137.81 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.114 -0.991 . . . . 0.0 109.915 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.69 78.17 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 113.073 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 171.032 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.454 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.54 133.9 44.3 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 122.251 1.024 . . . . 0.0 113.489 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -161.4 137.64 8.19 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 117.085 -1.435 . . . . 0.0 111.281 -167.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -96.28 4.76 52.1 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 165.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -114.48 130.66 56.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.96 1.255 . . . . 0.0 110.264 -166.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 t -134.87 84.54 2.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.637 -0.664 . . . . 0.0 112.672 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 172.484 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.464 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -100.07 134.05 43.55 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 122.134 0.969 . . . . 0.0 113.502 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -162.0 137.46 7.42 Favored 'General case' 0 CA--C 1.579 2.095 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.089 -167.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -97.43 9.98 40.91 Favored 'General case' 0 CA--C 1.576 1.957 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 166.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -116.84 133.34 56.14 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.902 1.228 . . . . 0.0 110.286 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.37 83.56 2.0 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.507 -0.746 . . . . 0.0 112.584 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.777 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.39 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.0 m -99.21 125.7 44.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.261 1.029 . . . . 0.0 111.715 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -159.17 114.15 2.47 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.903 -159.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.96 -3.23 56.18 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -124.16 140.81 52.61 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 120.251 1.387 . . . . 0.0 111.001 -156.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -139.69 79.7 1.73 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.259 -0.901 . . . . 0.0 112.381 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 174.356 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.56 1.329 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -83.95 127.68 34.03 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-O 122.367 1.079 . . . . 0.0 112.57 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -158.8 113.36 2.48 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-O 116.926 -1.511 . . . . 0.0 109.697 -157.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -85.8 -8.3 58.19 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 168.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -118.78 141.26 48.79 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.978 1.263 . . . . 0.0 111.097 -157.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -134.73 74.48 1.53 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.254 -0.903 . . . . 0.0 112.857 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 174.59 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.375 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.2 m -101.76 126.29 48.6 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 122.382 1.087 . . . . 0.0 111.439 168.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -160.6 119.36 2.61 Favored 'General case' 0 CA--C 1.574 1.901 0 CA-C-O 116.531 -1.7 . . . . 0.0 109.247 -159.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 29.5 6.44 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 164.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.76 139.35 51.19 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.552 1.141 . . . . 0.0 110.021 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -142.73 77.86 1.59 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.369 -0.832 . . . . 0.0 112.045 167.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.489 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.562 1.423 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m -91.89 122.7 34.65 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 122.253 1.025 . . . . 0.0 112.442 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -162.15 123.39 2.66 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.786 -161.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -98.69 21.77 10.9 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 168.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -126.06 139.42 53.41 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.425 1.011 . . . . 0.0 110.205 -172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -143.19 84.02 1.81 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.377 -0.827 . . . . 0.0 113.157 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 164.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.562 1.412 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.4 m -100.69 126.1 47.19 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-O 122.332 1.063 . . . . 0.0 111.653 168.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -159.68 112.3 2.14 Favored 'General case' 0 CA--C 1.575 1.932 0 CA-C-O 116.881 -1.533 . . . . 0.0 109.484 -158.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -86.77 -5.51 59.09 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -117.42 140.87 49.02 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.981 1.264 . . . . 0.0 110.971 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -141.59 78.95 1.66 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 112.208 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 174.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.562 1.404 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.9 m -113.32 129.25 56.58 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-O 122.226 1.012 . . . . 0.0 112.445 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -163.89 137.48 5.49 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.282 -162.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -101.89 12.51 36.86 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 165.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -120.19 132.22 55.29 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 120.036 1.289 . . . . 0.0 110.21 -166.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -138.83 86.51 2.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.596 -0.69 . . . . 0.0 112.143 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 171.24 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 CA--C 1.562 1.423 0 CA-C-O 122.217 1.008 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.2 t80 . . . . . 0 CA--C 1.577 1.984 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.298 -157.408 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 CA--C 1.573 1.853 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.15 137.78 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.14 -0.975 . . . . 0.0 109.915 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.65 78.16 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.227 -0.92 . . . . 0.0 113.07 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 170.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 122.253 1.025 . . . . 0.0 112.78 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 CA--C 1.577 2.003 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.245 -157.354 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 CA--C 1.573 1.86 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.14 137.81 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.114 -0.991 . . . . 0.0 109.915 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.69 78.17 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 113.073 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 171.032 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 CA--C 1.56 1.34 0 CA-C-O 122.251 1.024 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 CA--C 1.577 2.015 0 CA-C-O 117.085 -1.435 . . . . 0.0 111.281 -167.454 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt . . . . . 0 CA--C 1.576 1.974 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -114.48 130.66 56.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.96 1.255 . . . . 0.0 110.264 -166.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 t -134.87 84.54 2.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.637 -0.664 . . . . 0.0 112.672 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 172.484 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.56 1.365 0 CA-C-O 122.134 0.969 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.579 2.095 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.089 -167.733 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 CA--C 1.576 1.957 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -116.84 133.34 56.14 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.902 1.228 . . . . 0.0 110.286 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.37 83.56 2.0 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.507 -0.746 . . . . 0.0 112.584 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.777 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 CA--C 1.56 1.352 0 CA-C-O 122.261 1.029 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.5 t80 . . . . . 0 CA--C 1.577 2.007 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.903 -159.085 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -124.16 140.81 52.61 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 120.251 1.387 . . . . 0.0 111.001 -156.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -139.69 79.7 1.73 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.259 -0.901 . . . . 0.0 112.381 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 174.356 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.561 1.376 0 CA-C-O 122.367 1.079 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 CA--C 1.575 1.927 0 CA-C-O 116.926 -1.511 . . . . 0.0 109.697 -157.633 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 CA--C 1.574 1.9 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -118.78 141.26 48.79 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.978 1.263 . . . . 0.0 111.097 -157.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -134.73 74.48 1.53 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.254 -0.903 . . . . 0.0 112.857 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 174.59 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 CA--C 1.559 1.297 0 CA-C-O 122.382 1.087 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 . . . . . 0 CA--C 1.574 1.901 0 CA-C-O 116.531 -1.7 . . . . 0.0 109.247 -159.04 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.572 1.822 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.76 139.35 51.19 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.552 1.141 . . . . 0.0 110.021 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -142.73 77.86 1.59 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.369 -0.832 . . . . 0.0 112.045 167.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.489 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 CA--C 1.559 1.294 0 CA-C-O 122.253 1.025 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.576 1.951 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.786 -161.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 CA--C 1.573 1.847 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -126.06 139.42 53.41 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.425 1.011 . . . . 0.0 110.205 -172.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -143.19 84.02 1.81 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.377 -0.827 . . . . 0.0 113.157 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 164.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 CA--C 1.558 1.282 0 CA-C-O 122.332 1.063 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 CA--C 1.575 1.932 0 CA-C-O 116.881 -1.533 . . . . 0.0 109.484 -158.864 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? . . . . . 0 CA--C 1.574 1.901 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -117.42 140.87 49.02 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.981 1.264 . . . . 0.0 110.971 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -141.59 78.95 1.66 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 112.208 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 174.731 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 CA--C 1.56 1.338 0 CA-C-O 122.226 1.012 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 CA--C 1.578 2.028 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.282 -162.191 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.4 pttt . . . . . 0 CA--C 1.576 1.951 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -120.19 132.22 55.29 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 120.036 1.289 . . . . 0.0 110.21 -166.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -138.83 86.51 2.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.596 -0.69 . . . . 0.0 112.143 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 171.24 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.31 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.28 126.86 31.33 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.217 1.008 . . . . 0.0 112.834 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -160.05 126.64 4.34 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.298 -157.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -103.62 20.22 18.36 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 168.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.15 137.78 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.14 -0.975 . . . . 0.0 109.915 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.65 78.16 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.227 -0.92 . . . . 0.0 113.07 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 170.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.296 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.3 m -79.44 126.88 31.42 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 122.253 1.025 . . . . 0.0 112.78 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -160.09 126.73 4.34 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.245 -157.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -103.59 20.15 18.48 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 168.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.14 137.81 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.114 -0.991 . . . . 0.0 109.915 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.69 78.17 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 113.073 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 171.032 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.454 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.54 133.9 44.3 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 122.251 1.024 . . . . 0.0 113.489 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -161.4 137.64 8.19 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 117.085 -1.435 . . . . 0.0 111.281 -167.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -96.28 4.76 52.1 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 165.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -114.48 130.66 56.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.96 1.255 . . . . 0.0 110.264 -166.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 t -134.87 84.54 2.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.637 -0.664 . . . . 0.0 112.672 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 172.484 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.464 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -100.07 134.05 43.55 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 122.134 0.969 . . . . 0.0 113.502 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -162.0 137.46 7.42 Favored 'General case' 0 CA--C 1.579 2.095 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.089 -167.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -97.43 9.98 40.91 Favored 'General case' 0 CA--C 1.576 1.957 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 166.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -116.84 133.34 56.14 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.902 1.228 . . . . 0.0 110.286 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.37 83.56 2.0 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.507 -0.746 . . . . 0.0 112.584 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.777 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.39 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.0 m -99.21 125.7 44.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.261 1.029 . . . . 0.0 111.715 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -159.17 114.15 2.47 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.903 -159.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.96 -3.23 56.18 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -124.16 140.81 52.61 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 120.251 1.387 . . . . 0.0 111.001 -156.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -139.69 79.7 1.73 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.259 -0.901 . . . . 0.0 112.381 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 174.356 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.56 1.329 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -83.95 127.68 34.03 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-O 122.367 1.079 . . . . 0.0 112.57 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -158.8 113.36 2.48 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-O 116.926 -1.511 . . . . 0.0 109.697 -157.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -85.8 -8.3 58.19 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 168.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -118.78 141.26 48.79 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.978 1.263 . . . . 0.0 111.097 -157.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -134.73 74.48 1.53 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.254 -0.903 . . . . 0.0 112.857 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 174.59 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.375 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.2 m -101.76 126.29 48.6 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 122.382 1.087 . . . . 0.0 111.439 168.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -160.6 119.36 2.61 Favored 'General case' 0 CA--C 1.574 1.901 0 CA-C-O 116.531 -1.7 . . . . 0.0 109.247 -159.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 29.5 6.44 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 164.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.76 139.35 51.19 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.552 1.141 . . . . 0.0 110.021 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -142.73 77.86 1.59 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.369 -0.832 . . . . 0.0 112.045 167.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.489 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.562 1.423 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m -91.89 122.7 34.65 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 122.253 1.025 . . . . 0.0 112.442 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -162.15 123.39 2.66 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.786 -161.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -98.69 21.77 10.9 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 168.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -126.06 139.42 53.41 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.425 1.011 . . . . 0.0 110.205 -172.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -143.19 84.02 1.81 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.377 -0.827 . . . . 0.0 113.157 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 164.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.562 1.412 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.4 m -100.69 126.1 47.19 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-O 122.332 1.063 . . . . 0.0 111.653 168.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -159.68 112.3 2.14 Favored 'General case' 0 CA--C 1.575 1.932 0 CA-C-O 116.881 -1.533 . . . . 0.0 109.484 -158.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -86.77 -5.51 59.09 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -117.42 140.87 49.02 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.981 1.264 . . . . 0.0 110.971 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -141.59 78.95 1.66 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 112.208 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 174.731 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.562 1.404 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.9 m -113.32 129.25 56.58 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-O 122.226 1.012 . . . . 0.0 112.445 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -163.89 137.48 5.49 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.282 -162.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -101.89 12.51 36.86 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 165.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -120.19 132.22 55.29 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 120.036 1.289 . . . . 0.0 110.21 -166.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -138.83 86.51 2.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.596 -0.69 . . . . 0.0 112.143 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 171.24 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 CA--C 1.562 1.423 0 CA-C-O 122.217 1.008 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.2 t80 . . . . . 0 CA--C 1.577 1.984 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.298 -157.408 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 CA--C 1.573 1.853 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.15 137.78 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.14 -0.975 . . . . 0.0 109.915 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.65 78.16 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.227 -0.92 . . . . 0.0 113.07 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 170.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 CA--C 1.563 1.446 0 CA-C-O 122.253 1.025 . . . . 0.0 112.78 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 CA--C 1.577 2.003 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.245 -157.354 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 CA--C 1.573 1.86 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.14 137.81 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.114 -0.991 . . . . 0.0 109.915 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.69 78.17 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 113.073 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 171.032 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 CA--C 1.56 1.34 0 CA-C-O 122.251 1.024 . . . . 0.0 113.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 p90 . . . . . 0 CA--C 1.577 2.015 0 CA-C-O 117.085 -1.435 . . . . 0.0 111.281 -167.454 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt . . . . . 0 CA--C 1.576 1.974 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -114.48 130.66 56.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.96 1.255 . . . . 0.0 110.264 -166.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 t -134.87 84.54 2.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.637 -0.664 . . . . 0.0 112.672 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 172.484 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m . . . . . 0 CA--C 1.56 1.365 0 CA-C-O 122.134 0.969 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 . . . . . 0 CA--C 1.579 2.095 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.089 -167.733 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 CA--C 1.576 1.957 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -116.84 133.34 56.14 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.902 1.228 . . . . 0.0 110.286 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.37 83.56 2.0 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.507 -0.746 . . . . 0.0 112.584 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 CA--C 1.56 1.352 0 CA-C-O 122.261 1.029 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.5 t80 . . . . . 0 CA--C 1.577 2.007 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.903 -159.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -124.16 140.81 52.61 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 120.251 1.387 . . . . 0.0 111.001 -156.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -139.69 79.7 1.73 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.259 -0.901 . . . . 0.0 112.381 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 174.356 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.561 1.376 0 CA-C-O 122.367 1.079 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 t80 . . . . . 0 CA--C 1.575 1.927 0 CA-C-O 116.926 -1.511 . . . . 0.0 109.697 -157.633 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt . . . . . 0 CA--C 1.574 1.9 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -118.78 141.26 48.79 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.978 1.263 . . . . 0.0 111.097 -157.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -134.73 74.48 1.53 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.254 -0.903 . . . . 0.0 112.857 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 174.59 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 CA--C 1.559 1.297 0 CA-C-O 122.382 1.087 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 . . . . . 0 CA--C 1.574 1.901 0 CA-C-O 116.531 -1.7 . . . . 0.0 109.247 -159.04 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.572 1.822 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.76 139.35 51.19 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.552 1.141 . . . . 0.0 110.021 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -142.73 77.86 1.59 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.369 -0.832 . . . . 0.0 112.045 167.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.489 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 CA--C 1.559 1.294 0 CA-C-O 122.253 1.025 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.576 1.951 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.786 -161.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 CA--C 1.573 1.847 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -126.06 139.42 53.41 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.425 1.011 . . . . 0.0 110.205 -172.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -143.19 84.02 1.81 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.377 -0.827 . . . . 0.0 113.157 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 164.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 CA--C 1.558 1.282 0 CA-C-O 122.332 1.063 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 . . . . . 0 CA--C 1.575 1.932 0 CA-C-O 116.881 -1.533 . . . . 0.0 109.484 -158.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? . . . . . 0 CA--C 1.574 1.901 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -117.42 140.87 49.02 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.981 1.264 . . . . 0.0 110.971 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -141.59 78.95 1.66 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 112.208 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 174.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 CA--C 1.56 1.338 0 CA-C-O 122.226 1.012 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.5 p90 . . . . . 0 CA--C 1.578 2.028 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.282 -162.191 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.4 pttt . . . . . 0 CA--C 1.576 1.951 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -120.19 132.22 55.29 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 120.036 1.289 . . . . 0.0 110.21 -166.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -138.83 86.51 2.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.596 -0.69 . . . . 0.0 112.143 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 171.24 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.31 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.5 m -79.28 126.86 31.33 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.217 1.008 . . . . 0.0 112.834 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -160.05 126.64 4.34 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-O 116.817 -1.563 . . . . 0.0 110.298 -157.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -103.62 20.22 18.36 Favored 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 168.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.15 137.78 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.14 -0.975 . . . . 0.0 109.915 -169.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.65 78.16 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.227 -0.92 . . . . 0.0 113.07 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 106.141 -1.8 . . . . 0.0 106.141 170.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.296 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.3 m -79.44 126.88 31.42 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 122.253 1.025 . . . . 0.0 112.78 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -160.09 126.73 4.34 Favored 'General case' 0 CA--C 1.577 2.003 0 CA-C-O 116.792 -1.575 . . . . 0.0 110.245 -157.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -103.59 20.15 18.48 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 168.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -125.14 137.81 54.16 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.114 -0.991 . . . . 0.0 109.915 -169.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.8 t -133.69 78.17 1.76 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.186 -0.946 . . . . 0.0 113.073 173.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.487 1.402 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 171.032 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.454 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.54 133.9 44.3 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-O 122.251 1.024 . . . . 0.0 113.489 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -161.4 137.64 8.19 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 117.085 -1.435 . . . . 0.0 111.281 -167.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -96.28 4.76 52.1 Favored 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 165.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -114.48 130.66 56.75 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.96 1.255 . . . . 0.0 110.264 -166.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 7.0 t -134.87 84.54 2.11 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.637 -0.664 . . . . 0.0 112.672 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 172.484 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.563 1.464 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -100.07 134.05 43.55 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 122.134 0.969 . . . . 0.0 113.502 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -162.0 137.46 7.42 Favored 'General case' 0 CA--C 1.579 2.095 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.089 -167.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -97.43 9.98 40.91 Favored 'General case' 0 CA--C 1.576 1.957 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 166.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -116.84 133.34 56.14 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.902 1.228 . . . . 0.0 110.286 -169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.37 83.56 2.0 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.507 -0.746 . . . . 0.0 112.584 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.777 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.39 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 77.0 m -99.21 125.7 44.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-O 122.261 1.029 . . . . 0.0 111.715 169.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -159.17 114.15 2.47 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 116.981 -1.485 . . . . 0.0 109.903 -159.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -91.96 -3.23 56.18 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 168.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -124.16 140.81 52.61 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 120.251 1.387 . . . . 0.0 111.001 -156.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -139.69 79.7 1.73 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.259 -0.901 . . . . 0.0 112.381 172.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 174.356 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.56 1.329 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.9 m -83.95 127.68 34.03 Favored 'General case' 0 CA--C 1.561 1.376 0 CA-C-O 122.367 1.079 . . . . 0.0 112.57 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -158.8 113.36 2.48 Favored 'General case' 0 CA--C 1.575 1.927 0 CA-C-O 116.926 -1.511 . . . . 0.0 109.697 -157.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -85.8 -8.3 58.19 Favored 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 168.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -118.78 141.26 48.79 Favored 'General case' 0 CA--C 1.559 1.305 0 CA-C-N 119.978 1.263 . . . . 0.0 111.097 -157.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -134.73 74.48 1.53 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.254 -0.903 . . . . 0.0 112.857 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 174.59 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.375 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.2 m -101.76 126.29 48.6 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-O 122.382 1.087 . . . . 0.0 111.439 168.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -160.6 119.36 2.61 Favored 'General case' 0 CA--C 1.574 1.901 0 CA-C-O 116.531 -1.7 . . . . 0.0 109.247 -159.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.42 29.5 6.44 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 164.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -117.76 139.35 51.19 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.552 1.141 . . . . 0.0 110.021 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.9 t -142.73 77.86 1.59 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.369 -0.832 . . . . 0.0 112.045 167.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 175.489 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.562 1.423 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.4 m -91.89 122.7 34.65 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-O 122.253 1.025 . . . . 0.0 112.442 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -162.15 123.39 2.66 Favored 'General case' 0 CA--C 1.576 1.951 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.786 -161.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -98.69 21.77 10.9 Favored 'General case' 0 CA--C 1.573 1.847 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 168.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -126.06 139.42 53.41 Favored 'General case' 0 N--CA 1.487 1.376 0 CA-C-N 119.425 1.011 . . . . 0.0 110.205 -172.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -143.19 84.02 1.81 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.377 -0.827 . . . . 0.0 113.157 171.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 164.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.562 1.412 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.4 m -100.69 126.1 47.19 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-O 122.332 1.063 . . . . 0.0 111.653 168.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -159.68 112.3 2.14 Favored 'General case' 0 CA--C 1.575 1.932 0 CA-C-O 116.881 -1.533 . . . . 0.0 109.484 -158.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -86.77 -5.51 59.09 Favored 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 168.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -117.42 140.87 49.02 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 119.981 1.264 . . . . 0.0 110.971 -160.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -141.59 78.95 1.66 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.359 -0.838 . . . . 0.0 112.208 170.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 174.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.562 1.404 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.9 m -113.32 129.25 56.58 Favored 'General case' 0 CA--C 1.56 1.338 0 CA-C-O 122.226 1.012 . . . . 0.0 112.445 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -163.89 137.48 5.49 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-O 117.087 -1.435 . . . . 0.0 111.282 -162.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' E9M . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -101.89 12.51 36.86 Favored 'General case' 0 CA--C 1.576 1.951 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 165.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -120.19 132.22 55.29 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 120.036 1.289 . . . . 0.0 110.21 -166.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.8 t -138.83 86.51 2.15 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.596 -0.69 . . . . 0.0 112.143 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 103.89 -2.633 . . . . 0.0 103.89 171.24 . . . . . . . . 0 0 . 1 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