data_6hvc_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 6hvc _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 ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 . . . . . 0 CA--C 1.568 1.655 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.266 52.5 t-105 . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 119.856 3.28 . . . . 0.0 119.856 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.2 t80 . . . . . 0 CA--C 1.569 1.695 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 30.7 t-105 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -172.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.569 1.674 0 CA-C-O 121.633 0.73 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 46.4 t-105 . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 p90 . . . . . 0 CA--C 1.569 1.701 0 CA-C-O 121.627 0.727 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.285 24.7 t-105 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 119.782 3.253 . . . . 0.0 119.782 -165.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 CA--C 1.573 1.83 0 CA-C-O 121.714 0.769 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 49.7 t-105 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 120.487 3.514 . . . . 0.0 120.487 -164.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 p90 . . . . . 0 CA--C 1.574 1.899 0 CA-C-O 121.401 0.62 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.293 29.6 t-105 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 120.022 3.341 . . . . 0.0 120.022 -163.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.0 p90 . . . . . 0 CA--C 1.573 1.847 0 CA-C-O 121.295 0.569 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 28.0 t-105 . . . . . 0 N--CA 1.5 2.032 0 N-CA-C 120.164 3.394 . . . . 0.0 120.164 -163.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.572 1.817 0 CA-C-O 121.307 0.575 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.317 30.6 t-105 . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 120.851 3.649 . . . . 0.0 120.851 -164.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 CA--C 1.57 1.731 0 CA-C-O 121.469 0.652 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 20.7 t-105 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 CA--C 1.572 1.812 0 CA-C-O 121.459 0.647 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 20.2 t-105 . . . . . 0 N--CA 1.499 2.017 0 N-CA-C 120.125 3.38 . . . . 0.0 120.125 -167.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.389 0 CA-C-O 120.803 0.335 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.84 126.82 31.42 Favored 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -164.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -88.92 157.01 18.56 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.781 0.832 . . . . 0.0 109.947 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.266 52.5 t-105 -41.82 -55.58 2.99 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 119.856 3.28 . . . . 0.0 119.856 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -159.72 107.87 1.74 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.662 -1.274 . . . . 0.0 110.518 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.1 m -86.53 116.37 24.62 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 113.499 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.565 1.537 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.305 0 CA-C-O 119.072 -0.49 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.41 132.3 18.07 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 119.612 1.096 . . . . 0.0 113.253 166.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -95.02 154.78 17.01 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.531 0.733 . . . . 0.0 109.475 166.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 30.7 t-105 -33.98 -64.32 0.23 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -172.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -163.03 111.79 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.986 -1.071 . . . . 0.0 109.846 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -85.46 108.12 17.74 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.257 1.472 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 171.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.368 0 N-CA-C 110.895 -0.039 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.2 t -76.45 127.52 33.01 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -103.07 166.84 10.2 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 124.352 1.061 . . . . 0.0 109.151 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 46.4 t-105 -39.61 -57.84 1.41 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -157.93 99.21 1.67 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.082 -1.011 . . . . 0.0 110.169 -172.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.9 m -96.64 86.32 4.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.0 112.757 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 165.322 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.9 118.1 23.77 Favored 'General case' 0 CA--C 1.562 1.424 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -133.66 175.39 9.48 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.03 0.932 . . . . 0.0 111.284 177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.285 24.7 t-105 -43.52 -62.58 1.04 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 119.782 3.253 . . . . 0.0 119.782 -165.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -158.94 92.06 1.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.704 -1.248 . . . . 0.0 108.886 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.09 65.79 2.06 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 179.352 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.396 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.65 118.01 24.89 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -136.26 178.18 7.26 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.123 0.969 . . . . 0.0 111.185 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 49.7 t-105 -43.98 -58.09 2.98 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 120.487 3.514 . . . . 0.0 120.487 -164.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -158.76 91.23 1.04 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.997 -1.064 . . . . 0.0 108.456 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 t -102.6 70.56 1.14 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.416 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.561 1.368 0 CA-C-O 120.403 0.144 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.7 t -88.86 121.45 31.24 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.96 -176.97 5.3 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 124.387 1.075 . . . . 0.0 111.173 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.293 29.6 t-105 -42.99 -64.18 0.67 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.022 3.341 . . . . 0.0 120.022 -163.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -162.04 106.92 1.23 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.88 64.54 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.566 1.585 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.4 t -107.04 109.41 21.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.579 -0.701 . . . . 0.0 112.729 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.85 -178.32 5.86 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 124.438 1.095 . . . . 0.0 110.803 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 28.0 t-105 -39.32 -65.02 0.41 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 120.164 3.394 . . . . 0.0 120.164 -163.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -161.6 114.37 1.84 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.0 109.248 -171.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -132.39 74.09 1.56 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 167.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 164.371 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.564 1.51 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.97 108.41 15.74 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.471 0.653 . . . . 0.0 111.849 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -146.1 179.92 7.16 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.437 1.095 . . . . 0.0 111.143 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.317 30.6 t-105 -33.23 -66.26 0.15 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 120.851 3.649 . . . . 0.0 120.851 -164.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -160.61 114.57 2.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -128.69 82.72 2.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.295 -0.878 . . . . 0.0 111.786 163.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 172.738 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.56 1.332 0 CA-C-O 120.521 0.201 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -77.54 131.37 37.84 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -136.78 176.1 9.01 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 124.223 1.009 . . . . 0.0 110.785 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 20.7 t-105 -38.08 -64.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -159.84 104.14 1.54 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.945 -1.097 . . . . 0.0 109.646 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -108.1 76.03 1.02 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 168.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.56 1.36 0 CA-C-O 120.374 0.13 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.7 t -93.35 114.47 26.91 Favored 'General case' 0 CA--C 1.562 1.418 0 O-C-N 121.508 -0.745 . . . . 0.0 112.568 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -141.78 177.66 8.02 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.293 1.037 . . . . 0.0 111.026 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 20.2 t-105 -35.51 -67.21 0.16 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.125 3.38 . . . . 0.0 120.125 -167.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -160.49 97.13 1.2 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 108.651 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -103.99 73.26 1.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.364 -0.835 . . . . 0.0 113.12 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.097 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 . . . . . 0 CA--C 1.568 1.655 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.266 52.5 t-105 . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 119.856 3.28 . . . . 0.0 119.856 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.2 t80 . . . . . 0 CA--C 1.569 1.695 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 30.7 t-105 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -172.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.569 1.674 0 CA-C-O 121.633 0.73 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 46.4 t-105 . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 p90 . . . . . 0 CA--C 1.569 1.701 0 CA-C-O 121.627 0.727 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.285 24.7 t-105 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 119.782 3.253 . . . . 0.0 119.782 -165.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 CA--C 1.573 1.83 0 CA-C-O 121.714 0.769 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 49.7 t-105 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 120.487 3.514 . . . . 0.0 120.487 -164.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 p90 . . . . . 0 CA--C 1.574 1.899 0 CA-C-O 121.401 0.62 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.293 29.6 t-105 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 120.022 3.341 . . . . 0.0 120.022 -163.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.0 p90 . . . . . 0 CA--C 1.573 1.847 0 CA-C-O 121.295 0.569 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 28.0 t-105 . . . . . 0 N--CA 1.5 2.032 0 N-CA-C 120.164 3.394 . . . . 0.0 120.164 -163.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.572 1.817 0 CA-C-O 121.307 0.575 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.317 30.6 t-105 . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 120.851 3.649 . . . . 0.0 120.851 -164.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 CA--C 1.57 1.731 0 CA-C-O 121.469 0.652 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 20.7 t-105 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 CA--C 1.572 1.812 0 CA-C-O 121.459 0.647 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 20.2 t-105 . . . . . 0 N--CA 1.499 2.017 0 N-CA-C 120.125 3.38 . . . . 0.0 120.125 -167.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.389 0 CA-C-O 120.803 0.335 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.84 126.82 31.42 Favored 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -164.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -88.92 157.01 18.56 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.781 0.832 . . . . 0.0 109.947 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.266 52.5 t-105 -41.82 -55.58 2.99 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 119.856 3.28 . . . . 0.0 119.856 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -159.72 107.87 1.74 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.662 -1.274 . . . . 0.0 110.518 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.1 m -86.53 116.37 24.62 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 113.499 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.565 1.537 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.305 0 CA-C-O 119.072 -0.49 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.41 132.3 18.07 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 119.612 1.096 . . . . 0.0 113.253 166.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -95.02 154.78 17.01 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.531 0.733 . . . . 0.0 109.475 166.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 30.7 t-105 -33.98 -64.32 0.23 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -172.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -163.03 111.79 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.986 -1.071 . . . . 0.0 109.846 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -85.46 108.12 17.74 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.257 1.472 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 171.444 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.368 0 N-CA-C 110.895 -0.039 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.2 t -76.45 127.52 33.01 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -103.07 166.84 10.2 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 124.352 1.061 . . . . 0.0 109.151 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 46.4 t-105 -39.61 -57.84 1.41 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -157.93 99.21 1.67 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.082 -1.011 . . . . 0.0 110.169 -172.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.9 m -96.64 86.32 4.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.0 112.757 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 165.322 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.9 118.1 23.77 Favored 'General case' 0 CA--C 1.562 1.424 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -133.66 175.39 9.48 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.03 0.932 . . . . 0.0 111.284 177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.285 24.7 t-105 -43.52 -62.58 1.04 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 119.782 3.253 . . . . 0.0 119.782 -165.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -158.94 92.06 1.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.704 -1.248 . . . . 0.0 108.886 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.09 65.79 2.06 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 179.352 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.396 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.65 118.01 24.89 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -136.26 178.18 7.26 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.123 0.969 . . . . 0.0 111.185 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 49.7 t-105 -43.98 -58.09 2.98 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 120.487 3.514 . . . . 0.0 120.487 -164.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -158.76 91.23 1.04 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.997 -1.064 . . . . 0.0 108.456 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 t -102.6 70.56 1.14 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.416 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.561 1.368 0 CA-C-O 120.403 0.144 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.7 t -88.86 121.45 31.24 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.96 -176.97 5.3 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 124.387 1.075 . . . . 0.0 111.173 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.293 29.6 t-105 -42.99 -64.18 0.67 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.022 3.341 . . . . 0.0 120.022 -163.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -162.04 106.92 1.23 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.88 64.54 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.625 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.566 1.585 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.4 t -107.04 109.41 21.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.579 -0.701 . . . . 0.0 112.729 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.85 -178.32 5.86 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 124.438 1.095 . . . . 0.0 110.803 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 28.0 t-105 -39.32 -65.02 0.41 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 120.164 3.394 . . . . 0.0 120.164 -163.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -161.6 114.37 1.84 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.0 109.248 -171.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -132.39 74.09 1.56 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 167.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 164.371 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.564 1.51 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.97 108.41 15.74 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.471 0.653 . . . . 0.0 111.849 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -146.1 179.92 7.16 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.437 1.095 . . . . 0.0 111.143 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.317 30.6 t-105 -33.23 -66.26 0.15 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 120.851 3.649 . . . . 0.0 120.851 -164.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -160.61 114.57 2.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -128.69 82.72 2.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.295 -0.878 . . . . 0.0 111.786 163.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 172.738 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.56 1.332 0 CA-C-O 120.521 0.201 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -77.54 131.37 37.84 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -136.78 176.1 9.01 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 124.223 1.009 . . . . 0.0 110.785 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 20.7 t-105 -38.08 -64.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -159.84 104.14 1.54 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.945 -1.097 . . . . 0.0 109.646 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -108.1 76.03 1.02 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 168.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.56 1.36 0 CA-C-O 120.374 0.13 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.7 t -93.35 114.47 26.91 Favored 'General case' 0 CA--C 1.562 1.418 0 O-C-N 121.508 -0.745 . . . . 0.0 112.568 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -141.78 177.66 8.02 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.293 1.037 . . . . 0.0 111.026 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 20.2 t-105 -35.51 -67.21 0.16 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.125 3.38 . . . . 0.0 120.125 -167.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -160.49 97.13 1.2 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 108.651 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -103.99 73.26 1.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.364 -0.835 . . . . 0.0 113.12 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.097 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 . . . . . 0 CA--C 1.568 1.655 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.266 52.5 t-105 . . . . . 0 N--CA 1.494 1.774 0 N-CA-C 119.856 3.28 . . . . 0.0 119.856 -169.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.2 t80 . . . . . 0 CA--C 1.569 1.695 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 30.7 t-105 . . . . . 0 N--CA 1.499 1.991 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -172.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 CA--C 1.569 1.674 0 CA-C-O 121.633 0.73 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 46.4 t-105 . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 p90 . . . . . 0 CA--C 1.569 1.701 0 CA-C-O 121.627 0.727 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.285 24.7 t-105 . . . . . 0 N--CA 1.498 1.93 0 N-CA-C 119.782 3.253 . . . . 0.0 119.782 -165.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.1 p90 . . . . . 0 CA--C 1.573 1.83 0 CA-C-O 121.714 0.769 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 49.7 t-105 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 120.487 3.514 . . . . 0.0 120.487 -164.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 p90 . . . . . 0 CA--C 1.574 1.899 0 CA-C-O 121.401 0.62 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.293 29.6 t-105 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 120.022 3.341 . . . . 0.0 120.022 -163.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.0 p90 . . . . . 0 CA--C 1.573 1.847 0 CA-C-O 121.295 0.569 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 28.0 t-105 . . . . . 0 N--CA 1.5 2.032 0 N-CA-C 120.164 3.394 . . . . 0.0 120.164 -163.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 p90 . . . . . 0 CA--C 1.572 1.817 0 CA-C-O 121.307 0.575 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.317 30.6 t-105 . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 120.851 3.649 . . . . 0.0 120.851 -164.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 CA--C 1.57 1.731 0 CA-C-O 121.469 0.652 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 20.7 t-105 . . . . . 0 N--CA 1.499 1.989 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 . . . . . 0 CA--C 1.572 1.812 0 CA-C-O 121.459 0.647 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 20.2 t-105 . . . . . 0 N--CA 1.499 2.017 0 N-CA-C 120.125 3.38 . . . . 0.0 120.125 -167.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.389 0 CA-C-O 120.803 0.335 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.3 t -77.84 126.82 31.42 Favored 'General case' 0 CA--C 1.564 1.481 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -164.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -88.92 157.01 18.56 Favored 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 123.781 0.832 . . . . 0.0 109.947 169.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.266 52.5 t-105 -41.82 -55.58 2.99 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 119.856 3.28 . . . . 0.0 119.856 -169.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -159.72 107.87 1.74 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.662 -1.274 . . . . 0.0 110.518 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.1 m -86.53 116.37 24.62 Favored 'General case' 0 CA--C 1.564 1.484 0 O-C-N 121.111 -0.993 . . . . 0.0 113.499 176.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 CA--C 1.565 1.537 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.582 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.305 0 CA-C-O 119.072 -0.49 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.8 t -147.41 132.3 18.07 Favored 'General case' 0 CA--C 1.56 1.343 0 CA-C-N 119.612 1.096 . . . . 0.0 113.253 166.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -95.02 154.78 17.01 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.531 0.733 . . . . 0.0 109.475 166.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 30.7 t-105 -33.98 -64.32 0.23 Allowed 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -172.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -163.03 111.79 1.3 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.986 -1.071 . . . . 0.0 109.846 -177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.2 m -85.46 108.12 17.74 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.257 1.472 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 171.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.561 1.368 0 N-CA-C 110.895 -0.039 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.2 t -76.45 127.52 33.01 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -167.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -103.07 166.84 10.2 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 124.352 1.061 . . . . 0.0 109.151 171.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 46.4 t-105 -39.61 -57.84 1.41 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 119.778 3.251 . . . . 0.0 119.778 -174.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -157.93 99.21 1.67 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.082 -1.011 . . . . 0.0 110.169 -172.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 32.9 m -96.64 86.32 4.07 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.232 -0.917 . . . . 0.0 112.757 171.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 165.322 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.559 1.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.1 t -83.9 118.1 23.77 Favored 'General case' 0 CA--C 1.562 1.424 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -133.66 175.39 9.48 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 124.03 0.932 . . . . 0.0 111.284 177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.285 24.7 t-105 -43.52 -62.58 1.04 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 119.782 3.253 . . . . 0.0 119.782 -165.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -158.94 92.06 1.08 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.704 -1.248 . . . . 0.0 108.886 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.7 t -97.09 65.79 2.06 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 105.334 -2.098 . . . . 0.0 105.334 179.352 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.396 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -85.65 118.01 24.89 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -136.26 178.18 7.26 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.123 0.969 . . . . 0.0 111.185 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.281 49.7 t-105 -43.98 -58.09 2.98 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 120.487 3.514 . . . . 0.0 120.487 -164.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -158.76 91.23 1.04 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.997 -1.064 . . . . 0.0 108.456 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.4 t -102.6 70.56 1.14 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 175.416 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.561 1.368 0 CA-C-O 120.403 0.144 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.7 t -88.86 121.45 31.24 Favored 'General case' 0 CA--C 1.562 1.438 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -170.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 p90 -144.96 -176.97 5.3 Favored 'General case' 0 CA--C 1.574 1.899 0 C-N-CA 124.387 1.075 . . . . 0.0 111.173 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.293 29.6 t-105 -42.99 -64.18 0.67 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.022 3.341 . . . . 0.0 120.022 -163.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -162.04 106.92 1.23 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.88 64.54 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.7 t . . . . . 0 N--CA 1.495 1.782 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.625 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.566 1.585 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.4 t -107.04 109.41 21.29 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.579 -0.701 . . . . 0.0 112.729 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -143.85 -178.32 5.86 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 124.438 1.095 . . . . 0.0 110.803 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 28.0 t-105 -39.32 -65.02 0.41 Allowed 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 120.164 3.394 . . . . 0.0 120.164 -163.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -161.6 114.37 1.84 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -0.885 . . . . 0.0 109.248 -171.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.2 m -132.39 74.09 1.56 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 167.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 164.371 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.564 1.51 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.97 108.41 15.74 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.471 0.653 . . . . 0.0 111.849 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -146.1 179.92 7.16 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.437 1.095 . . . . 0.0 111.143 -177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.317 30.6 t-105 -33.23 -66.26 0.15 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 120.851 3.649 . . . . 0.0 120.851 -164.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -160.61 114.57 2.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -171.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -128.69 82.72 2.1 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.295 -0.878 . . . . 0.0 111.786 163.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 104.127 -2.545 . . . . 0.0 104.127 172.738 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.56 1.332 0 CA-C-O 120.521 0.201 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -77.54 131.37 37.84 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -170.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -136.78 176.1 9.01 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 124.223 1.009 . . . . 0.0 110.785 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.303 20.7 t-105 -38.08 -64.74 0.39 Allowed 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 120.161 3.393 . . . . 0.0 120.161 -165.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -159.84 104.14 1.54 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.945 -1.097 . . . . 0.0 109.646 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 t -108.1 76.03 1.02 Allowed 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 104.475 -2.417 . . . . 0.0 104.475 168.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.56 1.36 0 CA-C-O 120.374 0.13 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.7 t -93.35 114.47 26.91 Favored 'General case' 0 CA--C 1.562 1.418 0 O-C-N 121.508 -0.745 . . . . 0.0 112.568 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -141.78 177.66 8.02 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.293 1.037 . . . . 0.0 111.026 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . 0.312 20.2 t-105 -35.51 -67.21 0.16 Allowed 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.125 3.38 . . . . 0.0 120.125 -167.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' NMK . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -160.49 97.13 1.2 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.258 -0.901 . . . . 0.0 108.651 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 t -103.99 73.26 1.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.364 -0.835 . . . . 0.0 113.12 175.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.097 . . . . . . . . 0 0 . 1 stop_ save_