data_2ler_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ler _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 122.087 0.946 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -71.78 102.74 2.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.203 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 -29.78 22.54 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.692 -1.255 . . . . 0.0 109.686 -176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -59.32 -41.64 89.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.055 1.742 . . . . 0.0 112.438 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -75.27 -85.61 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.614 1.166 . . . . 0.0 112.523 164.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.32 88.15 7.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.46 -1.4 . . . . 0.0 112.281 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -65.59 -18.83 65.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.11 -2.244 . . . . 0.0 115.688 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.44 1.01 27.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.014 1.326 . . . . 0.0 112.759 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 t -81.61 -23.54 36.98 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.837 -1.789 . . . . 0.0 112.065 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.26 1.613 0 C-N-CA 124.724 1.21 . . . . 0.0 111.082 -164.117 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 121.506 0.67 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -73.2 99.05 2.75 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.102 -1.624 . . . . 0.0 110.849 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.94 -23.84 44.37 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.731 1.212 . . . . 0.0 111.241 -167.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.82 -39.65 43.04 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.932 -1.105 . . . . 0.0 111.241 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -72.55 -62.47 1.43 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.799 -1.188 . . . . 0.0 113.082 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -97.01 89.81 4.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.95 1.7 . . . . 0.0 111.418 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -72.56 -25.95 61.55 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.444 -2.035 . . . . 0.0 116.269 -173.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.5 11.06 11.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.176 -1.577 . . . . 0.0 112.353 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 t -87.02 -24.53 24.62 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.158 -1.589 . . . . 0.0 113.1 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.261 1.705 0 O-C-N 120.409 -1.432 . . . . 0.0 110.73 -151.275 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.429 -1.481 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -60.96 100.49 0.11 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.421 2.688 . . . . 0.0 113.031 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 -28.71 44.09 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.387 1.075 . . . . 0.0 111.471 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.46 -33.39 75.82 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.997 1.319 . . . . 0.0 113.007 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -84.5 -78.76 0.23 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.418 -1.426 . . . . 0.0 111.92 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.73 103.8 7.88 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.653 1.581 . . . . 0.0 113.235 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -79.9 -11.26 59.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.44 5.24 51.28 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.624 -1.298 . . . . 0.0 111.858 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -92.32 -26.33 18.15 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -161.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--O 1.259 1.593 0 O-C-N 119.391 -2.068 . . . . 0.0 110.582 -167.409 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -74.29 104.26 5.0 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.851 1.66 . . . . 0.0 112.283 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.13 -26.06 27.1 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.945 -1.097 . . . . 0.0 110.42 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.72 -46.64 86.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.097 1.359 . . . . 0.0 111.736 170.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -79.71 -77.71 0.18 Allowed 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 122.64 1.209 . . . . 0.0 112.301 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.7 85.55 5.7 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.017 1.327 . . . . 0.0 111.181 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -67.84 -16.46 64.11 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.4 -4.91 58.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.338 -1.476 . . . . 0.0 113.267 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -77.39 -20.94 53.95 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.869 -1.144 . . . . 0.0 113.74 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.26 1.643 0 O-C-N 120.943 -1.098 . . . . 0.0 113.07 -146.197 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 120.843 0.354 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -62.97 107.47 1.01 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.767 1.627 . . . . 0.0 114.388 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -16.73 24.65 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.328 -0.858 . . . . 0.0 112.829 -171.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.14 -34.49 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.093 -1.629 . . . . 0.0 110.332 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -78.87 -85.05 0.08 Allowed 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.562 1.172 . . . . 0.0 111.551 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.95 81.58 5.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.036 1.334 . . . . 0.0 111.961 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -62.74 -22.62 66.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.933 -1.729 . . . . 0.0 114.794 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.7 4.84 14.98 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.412 1.085 . . . . 0.0 113.384 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 t -97.2 -1.79 44.22 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.585 -1.947 . . . . 0.0 112.929 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 119.068 -2.27 . . . . 0.0 111.766 177.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.43 -1.444 0 CA-C-O 122.012 0.91 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -70.89 92.76 0.93 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.907 1.683 . . . . 0.0 112.932 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.69 -18.77 58.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.082 0.953 . . . . 0.0 111.765 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -43.52 94.63 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.177 -0.952 . . . . 0.0 112.951 164.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -80.85 -77.3 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.142 -1.599 . . . . 0.0 112.757 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -82.53 100.74 10.28 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.436 -1.415 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -71.1 -13.0 61.81 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -167.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.54 -6.26 59.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.35 -1.469 . . . . 0.0 112.484 170.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.01 40.19 1.15 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.361 -1.462 . . . . 0.0 112.062 -169.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.259 1.6 0 O-C-N 119.908 -1.745 . . . . 0.0 108.122 173.356 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 121.783 0.801 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -62.82 101.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.004 2.122 . . . . 0.0 112.092 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 -26.93 22.51 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 121.552 0.692 . . . . 0.0 111.409 -168.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.7 -37.12 85.23 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.85 -1.156 . . . . 0.0 110.388 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -81.5 -77.46 0.21 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.371 1.468 . . . . 0.0 110.111 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.75 86.66 4.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.378 1.471 . . . . 0.0 113.505 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.94 -21.22 64.21 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.8 1.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.144 -1.597 . . . . 0.0 112.912 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -90.14 -11.06 42.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.002 -1.686 . . . . 0.0 114.198 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.26 1.619 0 O-C-N 119.739 -1.851 . . . . 0.0 111.198 179.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.43 -1.461 0 CA-C-O 121.715 0.769 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.2 111.39 17.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.51 -1.369 . . . . 0.0 113.178 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -81.14 -20.21 41.83 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.105 0.962 . . . . 0.0 112.945 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -72.97 -38.18 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.546 -1.347 . . . . 0.0 111.295 173.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -75.51 -77.35 0.13 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.009 -1.057 . . . . 0.0 111.339 172.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -93.73 94.02 8.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 123.0 1.381 . . . . 0.0 112.01 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -73.95 -8.96 58.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.937 -1.727 . . . . 0.0 115.658 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.95 2.26 56.14 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.755 -1.84 . . . . 0.0 112.085 173.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -90.14 -10.99 42.53 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.369 -1.457 . . . . 0.0 112.393 -168.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 120.289 -1.507 . . . . 0.0 114.528 -148.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.486 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -75.17 126.4 30.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.122 -1.611 . . . . 0.0 112.425 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -77.19 -22.07 52.96 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.511 1.124 . . . . 0.0 112.882 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.27 -37.47 80.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.736 -1.228 . . . . 0.0 112.851 166.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -83.13 -89.35 0.09 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 124.135 0.974 . . . . 0.0 111.593 169.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -83.93 102.62 12.55 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.268 1.427 . . . . 0.0 111.704 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -66.1 -12.03 52.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -78.94 -12.67 60.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 125.038 1.335 . . . . 0.0 111.588 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.35 21.94 8.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.26 1.623 0 O-C-N 119.491 -2.006 . . . . 0.0 112.476 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.429 -1.48 0 CA-C-O 121.888 0.852 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -74.46 103.17 4.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.27 -1.519 . . . . 0.0 113.508 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.04 -21.1 24.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.457 -1.402 . . . . 0.0 110.62 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -57.19 -39.95 76.4 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.531 1.132 . . . . 0.0 111.693 167.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -75.41 -99.09 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 112.908 166.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -82.24 120.32 25.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.396 -1.44 . . . . 0.0 110.143 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -68.41 -17.41 64.21 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.029 2.132 . . . . 0.0 116.563 -165.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.38 -16.31 54.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.839 -1.163 . . . . 0.0 112.263 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.36 42.82 1.12 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.403 -1.436 . . . . 0.0 111.61 -167.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.886 1.675 . . . . 0.0 110.645 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.43 -1.451 0 CA-C-O 121.433 0.635 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.1 106.67 2.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.656 -1.277 . . . . 0.0 113.348 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.16 -18.98 32.5 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.281 1.032 . . . . 0.0 112.636 -171.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.11 -39.19 86.65 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.257 -1.527 . . . . 0.0 111.692 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.6 -69.08 0.73 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.246 1.419 . . . . 0.0 111.576 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -79.05 86.32 4.9 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.037 1.335 . . . . 0.0 109.968 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -66.15 -25.5 66.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.798 1.639 . . . . 0.0 114.736 -166.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.8 -5.19 57.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.806 -1.184 . . . . 0.0 113.327 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.81 23.56 5.39 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.266 -1.521 . . . . 0.0 113.248 -163.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 118.72 -2.488 . . . . 0.0 107.448 170.416 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.494 0 CA-C-O 120.744 0.307 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -67.08 133.89 50.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -70.96 -21.45 62.33 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.38 -36.2 60.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.326 -1.484 . . . . 0.0 110.052 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -77.87 -88.49 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.049 -1.657 . . . . 0.0 115.014 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -96.94 103.25 15.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.71 -1.244 . . . . 0.0 111.413 -160.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -168.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.11 -12.15 60.06 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.775 -1.203 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.15 -6.45 59.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.962 -1.086 . . . . 0.0 113.72 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.259 1.605 0 CA-C-N 120.466 1.484 . . . . 0.0 112.782 -168.055 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.43 -1.461 0 CA-C-O 121.263 0.554 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -74.72 91.63 2.4 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.367 -2.083 . . . . 0.0 113.632 -175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 -27.48 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 123.425 0.69 . . . . 0.0 112.496 -175.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -60.94 -35.77 77.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.426 -1.422 . . . . 0.0 112.823 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -83.89 -84.02 0.14 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.884 -1.135 . . . . 0.0 111.928 173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.8 94.44 8.71 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 122.488 1.137 . . . . 0.0 110.782 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -71.87 -14.17 61.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.927 -1.733 . . . . 0.0 115.246 -171.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.07 -4.96 59.35 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.006 -1.684 . . . . 0.0 112.041 173.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.6 t -77.43 -22.13 51.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.963 -1.711 . . . . 0.0 113.63 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.484 -1.385 . . . . 0.0 113.841 -148.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.431 -1.415 0 CA-C-O 122.037 0.922 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -72.66 97.84 2.25 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.385 -1.447 . . . . 0.0 113.73 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.39 -18.66 33.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.608 -1.308 . . . . 0.0 111.477 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.95 -47.94 79.48 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.028 1.331 . . . . 0.0 111.916 164.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -82.59 -82.35 0.14 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.016 -1.052 . . . . 0.0 112.076 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -75.26 99.23 3.99 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.466 -1.397 . . . . 0.0 111.918 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -68.5 -13.27 62.2 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -166.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.44 -6.31 57.73 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.548 1.539 . . . . 0.0 112.606 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.51 37.28 1.5 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.215 1.406 . . . . 0.0 113.377 -169.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.258 1.547 0 O-C-N 119.345 -2.097 . . . . 0.0 110.088 174.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -67.3 87.67 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.592 1.157 . . . . 0.0 112.767 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 t -86.99 -20.69 26.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.1 1.36 . . . . 0.0 110.506 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -61.91 -37.75 85.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.475 -0.765 . . . . 0.0 111.778 167.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -83.24 -83.77 0.14 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.734 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -77.19 85.42 3.65 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.244 1.497 . . . . 0.0 112.646 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -70.11 -16.75 63.16 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.22 -1.91 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.688 -1.258 . . . . 0.0 111.969 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.65 -10.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.033 1.333 . . . . 0.0 114.361 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.26 1.655 0 O-C-N 119.58 -1.95 . . . . 0.0 111.128 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -69.88 104.52 2.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.594 -1.316 . . . . 0.0 112.371 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.0 -20.4 30.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.257 1.423 . . . . 0.0 110.403 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.45 -44.8 89.35 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.76 -1.213 . . . . 0.0 112.484 165.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -87.59 -71.28 0.58 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.001 -1.062 . . . . 0.0 112.014 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -78.51 85.99 4.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.661 1.984 . . . . 0.0 111.217 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -70.15 -17.93 63.2 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -167.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.4 3.02 48.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.747 -1.221 . . . . 0.0 112.165 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.12 14.52 23.62 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.27 -1.519 . . . . 0.0 114.112 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.259 1.58 0 O-C-N 118.416 -2.677 . . . . 0.0 111.451 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 122.269 1.033 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -69.67 111.44 5.46 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.509 1.523 . . . . 0.0 112.391 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -31.3 18.94 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 124.825 1.25 . . . . 0.0 110.115 -169.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.812 1.245 . . . . 0.0 111.179 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -84.0 -75.97 0.31 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.512 1.125 . . . . 0.0 111.856 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -82.5 97.09 8.25 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.506 1.146 . . . . 0.0 110.677 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -71.45 -27.01 62.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.23 -2.5 58.67 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.337 -1.477 . . . . 0.0 114.072 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 t -71.61 -21.86 61.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.26 1.644 0 O-C-N 120.025 -1.672 . . . . 0.0 114.078 -159.827 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.092 0.948 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p -67.5 100.13 0.83 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.071 1.348 . . . . 0.0 114.424 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.94 -27.08 39.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 124.531 1.132 . . . . 0.0 111.055 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -65.25 -34.17 77.73 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.061 -1.025 . . . . 0.0 113.067 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -83.95 -77.63 0.25 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.828 -1.17 . . . . 0.0 110.179 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.69 93.32 8.41 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.75 -1.219 . . . . 0.0 110.738 -176.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -65.55 -11.07 40.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.954 -1.716 . . . . 0.0 115.128 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.81 -0.23 56.68 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.548 1.939 . . . . 0.0 112.035 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.57 -16.17 27.53 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.198 -1.563 . . . . 0.0 113.425 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.261 1.664 0 C-N-CA 125.01 1.324 . . . . 0.0 112.062 -153.117 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.431 -1.4 0 CA-C-O 122.61 1.195 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -78.39 104.01 8.7 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.16 -25.15 24.22 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 124.885 1.274 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -61.47 -35.76 78.55 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.898 -1.126 . . . . 0.0 112.532 167.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -77.87 -93.91 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.005 0.922 . . . . 0.0 112.499 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -82.29 104.21 12.44 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.396 -1.44 . . . . 0.0 112.618 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -64.32 -16.28 61.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -14.49 60.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.683 1.193 . . . . 0.0 112.078 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -94.03 27.54 2.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.381 -1.449 . . . . 0.0 113.775 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.259 1.602 0 O-C-N 119.383 -2.073 . . . . 0.0 107.829 171.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 121.175 0.512 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -70.57 92.06 0.82 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.347 1.459 . . . . 0.0 112.996 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.6 t -82.3 -21.78 35.96 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.663 -1.273 . . . . 0.0 111.321 -171.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.54 -51.68 68.85 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.616 -1.303 . . . . 0.0 111.347 165.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -81.55 -73.19 0.39 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.35 1.06 . . . . 0.0 113.581 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.09 94.1 9.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.8 1.762 . . . . 0.0 110.994 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -72.16 -22.64 61.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.796 1.638 . . . . 0.0 114.951 -168.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.85 1.95 44.7 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.93 -1.732 . . . . 0.0 113.471 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.94 -12.61 52.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.596 -1.94 . . . . 0.0 113.491 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.259 1.597 0 C-N-CA 125.953 1.701 . . . . 0.0 111.914 -161.023 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 CA--C 1.49 -1.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -77.66 177.84 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.921 -1.112 . . . . 0.0 111.408 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -71.78 102.74 2.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.203 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 -29.78 22.54 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.692 -1.255 . . . . 0.0 109.686 -176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -59.32 -41.64 89.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.055 1.742 . . . . 0.0 112.438 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -75.27 -85.61 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.614 1.166 . . . . 0.0 112.523 164.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.32 88.15 7.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.46 -1.4 . . . . 0.0 112.281 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -65.59 -18.83 65.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.11 -2.244 . . . . 0.0 115.688 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.44 1.01 27.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.014 1.326 . . . . 0.0 112.759 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 t -81.61 -23.54 36.98 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.837 -1.789 . . . . 0.0 112.065 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.26 1.613 0 C-N-CA 124.724 1.21 . . . . 0.0 111.082 -164.117 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.49 -1.359 0 CA-C-O 121.232 0.539 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 p -69.0 168.41 13.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.52 -1.363 . . . . 0.0 109.778 157.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -73.2 99.05 2.75 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.102 -1.624 . . . . 0.0 110.849 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.94 -23.84 44.37 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.731 1.212 . . . . 0.0 111.241 -167.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.82 -39.65 43.04 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.932 -1.105 . . . . 0.0 111.241 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -72.55 -62.47 1.43 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.799 -1.188 . . . . 0.0 113.082 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -97.01 89.81 4.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.95 1.7 . . . . 0.0 111.418 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -72.56 -25.95 61.55 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.444 -2.035 . . . . 0.0 116.269 -173.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.5 11.06 11.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.176 -1.577 . . . . 0.0 112.353 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 t -87.02 -24.53 24.62 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.158 -1.589 . . . . 0.0 113.1 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.261 1.705 0 O-C-N 120.409 -1.432 . . . . 0.0 110.73 -151.275 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -86.81 169.73 12.32 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.906 1.682 . . . . 0.0 113.935 -173.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -60.96 100.49 0.11 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.421 2.688 . . . . 0.0 113.031 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 -28.71 44.09 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.387 1.075 . . . . 0.0 111.471 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.46 -33.39 75.82 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.997 1.319 . . . . 0.0 113.007 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -84.5 -78.76 0.23 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.418 -1.426 . . . . 0.0 111.92 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.73 103.8 7.88 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.653 1.581 . . . . 0.0 113.235 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -79.9 -11.26 59.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.44 5.24 51.28 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.624 -1.298 . . . . 0.0 111.858 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -92.32 -26.33 18.15 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -161.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--O 1.259 1.593 0 O-C-N 119.391 -2.068 . . . . 0.0 110.582 -167.409 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 p -69.06 167.65 15.54 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -74.29 104.26 5.0 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.851 1.66 . . . . 0.0 112.283 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.13 -26.06 27.1 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.945 -1.097 . . . . 0.0 110.42 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.72 -46.64 86.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.097 1.359 . . . . 0.0 111.736 170.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -79.71 -77.71 0.18 Allowed 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 122.64 1.209 . . . . 0.0 112.301 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.7 85.55 5.7 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.017 1.327 . . . . 0.0 111.181 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -67.84 -16.46 64.11 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.4 -4.91 58.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.338 -1.476 . . . . 0.0 113.267 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -77.39 -20.94 53.95 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.869 -1.144 . . . . 0.0 113.74 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.26 1.643 0 O-C-N 120.943 -1.098 . . . . 0.0 113.07 -146.197 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.49 -1.341 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.55 160.41 20.48 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.524 -1.36 . . . . 0.0 111.245 170.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -62.97 107.47 1.01 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.767 1.627 . . . . 0.0 114.388 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -16.73 24.65 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.328 -0.858 . . . . 0.0 112.829 -171.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.14 -34.49 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.093 -1.629 . . . . 0.0 110.332 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -78.87 -85.05 0.08 Allowed 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.562 1.172 . . . . 0.0 111.551 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.95 81.58 5.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.036 1.334 . . . . 0.0 111.961 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -62.74 -22.62 66.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.933 -1.729 . . . . 0.0 114.794 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.7 4.84 14.98 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.412 1.085 . . . . 0.0 113.384 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 t -97.2 -1.79 44.22 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.585 -1.947 . . . . 0.0 112.929 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 119.068 -2.27 . . . . 0.0 111.766 177.592 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.491 -1.323 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.23 168.24 19.85 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.262 -1.524 . . . . 0.0 111.61 175.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -70.89 92.76 0.93 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.907 1.683 . . . . 0.0 112.932 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.69 -18.77 58.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.082 0.953 . . . . 0.0 111.765 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -43.52 94.63 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.177 -0.952 . . . . 0.0 112.951 164.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -80.85 -77.3 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.142 -1.599 . . . . 0.0 112.757 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -82.53 100.74 10.28 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.436 -1.415 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -71.1 -13.0 61.81 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -167.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.54 -6.26 59.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.35 -1.469 . . . . 0.0 112.484 170.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.01 40.19 1.15 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.361 -1.462 . . . . 0.0 112.062 -169.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.259 1.6 0 O-C-N 119.908 -1.745 . . . . 0.0 108.122 173.356 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.49 -1.343 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p -61.79 155.3 23.38 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.071 -1.018 . . . . 0.0 112.272 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -62.82 101.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.004 2.122 . . . . 0.0 112.092 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 -26.93 22.51 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 121.552 0.692 . . . . 0.0 111.409 -168.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.7 -37.12 85.23 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.85 -1.156 . . . . 0.0 110.388 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -81.5 -77.46 0.21 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.371 1.468 . . . . 0.0 110.111 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.75 86.66 4.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.378 1.471 . . . . 0.0 113.505 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.94 -21.22 64.21 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -173.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.8 1.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.144 -1.597 . . . . 0.0 112.912 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -90.14 -11.06 42.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.002 -1.686 . . . . 0.0 114.198 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.26 1.619 0 O-C-N 119.739 -1.851 . . . . 0.0 111.198 179.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.46 172.15 14.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.69 -1.256 . . . . 0.0 110.798 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.2 111.39 17.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.51 -1.369 . . . . 0.0 113.178 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -81.14 -20.21 41.83 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.105 0.962 . . . . 0.0 112.945 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -72.97 -38.18 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.546 -1.347 . . . . 0.0 111.295 173.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -75.51 -77.35 0.13 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.009 -1.057 . . . . 0.0 111.339 172.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -93.73 94.02 8.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 123.0 1.381 . . . . 0.0 112.01 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -73.95 -8.96 58.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.937 -1.727 . . . . 0.0 115.658 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.95 2.26 56.14 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.755 -1.84 . . . . 0.0 112.085 173.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -90.14 -10.99 42.53 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.369 -1.457 . . . . 0.0 112.393 -168.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 120.289 -1.507 . . . . 0.0 114.528 -148.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.49 -1.346 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 167.86 21.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.688 0.795 . . . . 0.0 109.253 165.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -75.17 126.4 30.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.122 -1.611 . . . . 0.0 112.425 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -77.19 -22.07 52.96 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.511 1.124 . . . . 0.0 112.882 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.27 -37.47 80.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.736 -1.228 . . . . 0.0 112.851 166.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -83.13 -89.35 0.09 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 124.135 0.974 . . . . 0.0 111.593 169.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -83.93 102.62 12.55 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.268 1.427 . . . . 0.0 111.704 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -66.1 -12.03 52.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -78.94 -12.67 60.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 125.038 1.335 . . . . 0.0 111.588 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.35 21.94 8.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.26 1.623 0 O-C-N 119.491 -2.006 . . . . 0.0 112.476 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 CA--C 1.49 -1.354 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.17 177.81 7.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.653 1.181 . . . . 0.0 111.139 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -74.46 103.17 4.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.27 -1.519 . . . . 0.0 113.508 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.04 -21.1 24.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.457 -1.402 . . . . 0.0 110.62 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -57.19 -39.95 76.4 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.531 1.132 . . . . 0.0 111.693 167.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -75.41 -99.09 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 112.908 166.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -82.24 120.32 25.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.396 -1.44 . . . . 0.0 110.143 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -68.41 -17.41 64.21 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.029 2.132 . . . . 0.0 116.563 -165.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.38 -16.31 54.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.839 -1.163 . . . . 0.0 112.263 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.36 42.82 1.12 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.403 -1.436 . . . . 0.0 111.61 -167.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.886 1.675 . . . . 0.0 110.645 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.49 -1.363 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -70.86 156.03 40.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.1 -1.0 . . . . 0.0 110.919 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.1 106.67 2.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.656 -1.277 . . . . 0.0 113.348 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.16 -18.98 32.5 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.281 1.032 . . . . 0.0 112.636 -171.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.11 -39.19 86.65 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.257 -1.527 . . . . 0.0 111.692 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.6 -69.08 0.73 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.246 1.419 . . . . 0.0 111.576 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -79.05 86.32 4.9 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.037 1.335 . . . . 0.0 109.968 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -66.15 -25.5 66.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.798 1.639 . . . . 0.0 114.736 -166.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.8 -5.19 57.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.806 -1.184 . . . . 0.0 113.327 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.81 23.56 5.39 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.266 -1.521 . . . . 0.0 113.248 -163.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 118.72 -2.488 . . . . 0.0 107.448 170.416 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 155.26 39.48 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.143 0.977 . . . . 0.0 110.847 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -67.08 133.89 50.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -70.96 -21.45 62.33 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.38 -36.2 60.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.326 -1.484 . . . . 0.0 110.052 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -77.87 -88.49 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.049 -1.657 . . . . 0.0 115.014 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -96.94 103.25 15.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.71 -1.244 . . . . 0.0 111.413 -160.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -168.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.11 -12.15 60.06 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.775 -1.203 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.15 -6.45 59.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.962 -1.086 . . . . 0.0 113.72 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.259 1.605 0 CA-C-N 120.466 1.484 . . . . 0.0 112.782 -168.055 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 CA--C 1.49 -1.345 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.85 -174.76 1.54 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 110.776 164.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -74.72 91.63 2.4 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.367 -2.083 . . . . 0.0 113.632 -175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 -27.48 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 123.425 0.69 . . . . 0.0 112.496 -175.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -60.94 -35.77 77.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.426 -1.422 . . . . 0.0 112.823 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -83.89 -84.02 0.14 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.884 -1.135 . . . . 0.0 111.928 173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.8 94.44 8.71 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 122.488 1.137 . . . . 0.0 110.782 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -71.87 -14.17 61.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.927 -1.733 . . . . 0.0 115.246 -171.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.07 -4.96 59.35 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.006 -1.684 . . . . 0.0 112.041 173.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.6 t -77.43 -22.13 51.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.963 -1.711 . . . . 0.0 113.63 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.484 -1.385 . . . . 0.0 113.841 -148.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 CA--C 1.491 -1.305 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.03 178.91 7.66 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.94 1.296 . . . . 0.0 112.137 -172.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -72.66 97.84 2.25 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.385 -1.447 . . . . 0.0 113.73 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.39 -18.66 33.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.608 -1.308 . . . . 0.0 111.477 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.95 -47.94 79.48 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.028 1.331 . . . . 0.0 111.916 164.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -82.59 -82.35 0.14 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.016 -1.052 . . . . 0.0 112.076 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -75.26 99.23 3.99 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.466 -1.397 . . . . 0.0 111.918 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -68.5 -13.27 62.2 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -166.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.44 -6.31 57.73 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.548 1.539 . . . . 0.0 112.606 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.51 37.28 1.5 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.215 1.406 . . . . 0.0 113.377 -169.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.258 1.547 0 O-C-N 119.345 -2.097 . . . . 0.0 110.088 174.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 CA--C 1.49 -1.365 0 CA-C-O 121.182 0.515 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.75 165.21 17.79 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.122 -1.611 . . . . 0.0 110.868 166.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -67.3 87.67 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.592 1.157 . . . . 0.0 112.767 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 t -86.99 -20.69 26.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.1 1.36 . . . . 0.0 110.506 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -61.91 -37.75 85.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.475 -0.765 . . . . 0.0 111.778 167.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -83.24 -83.77 0.14 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.734 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -77.19 85.42 3.65 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.244 1.497 . . . . 0.0 112.646 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -70.11 -16.75 63.16 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.22 -1.91 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.688 -1.258 . . . . 0.0 111.969 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.65 -10.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.033 1.333 . . . . 0.0 114.361 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.26 1.655 0 O-C-N 119.58 -1.95 . . . . 0.0 111.128 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 CA--C 1.49 -1.336 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.33 160.86 2.82 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.633 1.973 . . . . 0.0 113.76 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -69.88 104.52 2.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.594 -1.316 . . . . 0.0 112.371 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.0 -20.4 30.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.257 1.423 . . . . 0.0 110.403 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.45 -44.8 89.35 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.76 -1.213 . . . . 0.0 112.484 165.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -87.59 -71.28 0.58 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.001 -1.062 . . . . 0.0 112.014 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -78.51 85.99 4.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.661 1.984 . . . . 0.0 111.217 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -70.15 -17.93 63.2 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -167.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.4 3.02 48.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.747 -1.221 . . . . 0.0 112.165 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.12 14.52 23.62 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.27 -1.519 . . . . 0.0 114.112 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.259 1.58 0 O-C-N 118.416 -2.677 . . . . 0.0 111.451 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 p -70.45 167.48 18.19 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.869 -1.144 . . . . 0.0 111.714 165.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -69.67 111.44 5.46 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.509 1.523 . . . . 0.0 112.391 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -31.3 18.94 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 124.825 1.25 . . . . 0.0 110.115 -169.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.812 1.245 . . . . 0.0 111.179 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -84.0 -75.97 0.31 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.512 1.125 . . . . 0.0 111.856 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -82.5 97.09 8.25 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.506 1.146 . . . . 0.0 110.677 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -71.45 -27.01 62.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.23 -2.5 58.67 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.337 -1.477 . . . . 0.0 114.072 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 t -71.61 -21.86 61.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.26 1.644 0 O-C-N 120.025 -1.672 . . . . 0.0 114.078 -159.827 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.49 -1.327 0 CA-C-O 120.401 0.143 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.45 166.96 19.32 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 121.097 -1.002 . . . . 0.0 113.085 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p -67.5 100.13 0.83 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.071 1.348 . . . . 0.0 114.424 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.94 -27.08 39.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 124.531 1.132 . . . . 0.0 111.055 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -65.25 -34.17 77.73 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.061 -1.025 . . . . 0.0 113.067 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -83.95 -77.63 0.25 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.828 -1.17 . . . . 0.0 110.179 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.69 93.32 8.41 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.75 -1.219 . . . . 0.0 110.738 -176.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -65.55 -11.07 40.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.954 -1.716 . . . . 0.0 115.128 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.81 -0.23 56.68 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.548 1.939 . . . . 0.0 112.035 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.57 -16.17 27.53 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.198 -1.563 . . . . 0.0 113.425 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.261 1.664 0 C-N-CA 125.01 1.324 . . . . 0.0 112.062 -153.117 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 CA--C 1.489 -1.383 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.73 171.79 14.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 122.61 1.195 . . . . 0.0 110.607 167.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -78.39 104.01 8.7 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.16 -25.15 24.22 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 124.885 1.274 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -61.47 -35.76 78.55 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.898 -1.126 . . . . 0.0 112.532 167.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -77.87 -93.91 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.005 0.922 . . . . 0.0 112.499 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -82.29 104.21 12.44 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.396 -1.44 . . . . 0.0 112.618 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -64.32 -16.28 61.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -14.49 60.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.683 1.193 . . . . 0.0 112.078 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -94.03 27.54 2.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.381 -1.449 . . . . 0.0 113.775 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.259 1.602 0 O-C-N 119.383 -2.073 . . . . 0.0 107.829 171.929 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 CA--C 1.49 -1.334 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -77.81 178.4 7.42 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.04 -1.038 . . . . 0.0 111.22 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -70.57 92.06 0.82 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.347 1.459 . . . . 0.0 112.996 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.6 t -82.3 -21.78 35.96 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.663 -1.273 . . . . 0.0 111.321 -171.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.54 -51.68 68.85 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.616 -1.303 . . . . 0.0 111.347 165.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -81.55 -73.19 0.39 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.35 1.06 . . . . 0.0 113.581 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.09 94.1 9.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.8 1.762 . . . . 0.0 110.994 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -72.16 -22.64 61.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.796 1.638 . . . . 0.0 114.951 -168.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.85 1.95 44.7 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.93 -1.732 . . . . 0.0 113.471 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.94 -12.61 52.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.596 -1.94 . . . . 0.0 113.491 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.259 1.597 0 C-N-CA 125.953 1.701 . . . . 0.0 111.914 -161.023 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 122.087 0.946 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -71.78 102.74 2.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.203 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 -29.78 22.54 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.692 -1.255 . . . . 0.0 109.686 -176.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -59.32 -41.64 89.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.055 1.742 . . . . 0.0 112.438 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -75.27 -85.61 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.614 1.166 . . . . 0.0 112.523 164.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.32 88.15 7.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.46 -1.4 . . . . 0.0 112.281 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -65.59 -18.83 65.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.11 -2.244 . . . . 0.0 115.688 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.44 1.01 27.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.014 1.326 . . . . 0.0 112.759 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 t -81.61 -23.54 36.98 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.837 -1.789 . . . . 0.0 112.065 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.26 1.613 0 C-N-CA 124.724 1.21 . . . . 0.0 111.082 -164.117 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 121.506 0.67 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -73.2 99.05 2.75 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.102 -1.624 . . . . 0.0 110.849 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.94 -23.84 44.37 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.731 1.212 . . . . 0.0 111.241 -167.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.82 -39.65 43.04 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.932 -1.105 . . . . 0.0 111.241 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -72.55 -62.47 1.43 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.799 -1.188 . . . . 0.0 113.082 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -97.01 89.81 4.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.95 1.7 . . . . 0.0 111.418 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -72.56 -25.95 61.55 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.444 -2.035 . . . . 0.0 116.269 -173.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.5 11.06 11.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.176 -1.577 . . . . 0.0 112.353 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 t -87.02 -24.53 24.62 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.158 -1.589 . . . . 0.0 113.1 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.261 1.705 0 O-C-N 120.409 -1.432 . . . . 0.0 110.73 -151.275 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.429 -1.481 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -60.96 100.49 0.11 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.421 2.688 . . . . 0.0 113.031 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 -28.71 44.09 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.387 1.075 . . . . 0.0 111.471 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.46 -33.39 75.82 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.997 1.319 . . . . 0.0 113.007 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -84.5 -78.76 0.23 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.418 -1.426 . . . . 0.0 111.92 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.73 103.8 7.88 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.653 1.581 . . . . 0.0 113.235 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -79.9 -11.26 59.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.44 5.24 51.28 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.624 -1.298 . . . . 0.0 111.858 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -92.32 -26.33 18.15 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -161.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--O 1.259 1.593 0 O-C-N 119.391 -2.068 . . . . 0.0 110.582 -167.409 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -74.29 104.26 5.0 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.851 1.66 . . . . 0.0 112.283 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.13 -26.06 27.1 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.945 -1.097 . . . . 0.0 110.42 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.72 -46.64 86.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.097 1.359 . . . . 0.0 111.736 170.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -79.71 -77.71 0.18 Allowed 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 122.64 1.209 . . . . 0.0 112.301 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.7 85.55 5.7 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.017 1.327 . . . . 0.0 111.181 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -67.84 -16.46 64.11 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.4 -4.91 58.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.338 -1.476 . . . . 0.0 113.267 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -77.39 -20.94 53.95 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.869 -1.144 . . . . 0.0 113.74 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.26 1.643 0 O-C-N 120.943 -1.098 . . . . 0.0 113.07 -146.197 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 120.843 0.354 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -62.97 107.47 1.01 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.767 1.627 . . . . 0.0 114.388 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -16.73 24.65 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.328 -0.858 . . . . 0.0 112.829 -171.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.14 -34.49 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.093 -1.629 . . . . 0.0 110.332 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -78.87 -85.05 0.08 Allowed 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.562 1.172 . . . . 0.0 111.551 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.95 81.58 5.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.036 1.334 . . . . 0.0 111.961 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -62.74 -22.62 66.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.933 -1.729 . . . . 0.0 114.794 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.7 4.84 14.98 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.412 1.085 . . . . 0.0 113.384 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 t -97.2 -1.79 44.22 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.585 -1.947 . . . . 0.0 112.929 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 119.068 -2.27 . . . . 0.0 111.766 177.592 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.43 -1.444 0 CA-C-O 122.012 0.91 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -70.89 92.76 0.93 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.907 1.683 . . . . 0.0 112.932 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.69 -18.77 58.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.082 0.953 . . . . 0.0 111.765 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -43.52 94.63 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.177 -0.952 . . . . 0.0 112.951 164.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -80.85 -77.3 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.142 -1.599 . . . . 0.0 112.757 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -82.53 100.74 10.28 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.436 -1.415 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -71.1 -13.0 61.81 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -167.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.54 -6.26 59.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.35 -1.469 . . . . 0.0 112.484 170.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.01 40.19 1.15 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.361 -1.462 . . . . 0.0 112.062 -169.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.259 1.6 0 O-C-N 119.908 -1.745 . . . . 0.0 108.122 173.356 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 121.783 0.801 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -62.82 101.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.004 2.122 . . . . 0.0 112.092 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 -26.93 22.51 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 121.552 0.692 . . . . 0.0 111.409 -168.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.7 -37.12 85.23 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.85 -1.156 . . . . 0.0 110.388 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -81.5 -77.46 0.21 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.371 1.468 . . . . 0.0 110.111 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.75 86.66 4.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.378 1.471 . . . . 0.0 113.505 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.94 -21.22 64.21 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.8 1.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.144 -1.597 . . . . 0.0 112.912 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -90.14 -11.06 42.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.002 -1.686 . . . . 0.0 114.198 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.26 1.619 0 O-C-N 119.739 -1.851 . . . . 0.0 111.198 179.521 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.43 -1.461 0 CA-C-O 121.715 0.769 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.2 111.39 17.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.51 -1.369 . . . . 0.0 113.178 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -81.14 -20.21 41.83 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.105 0.962 . . . . 0.0 112.945 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -72.97 -38.18 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.546 -1.347 . . . . 0.0 111.295 173.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -75.51 -77.35 0.13 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.009 -1.057 . . . . 0.0 111.339 172.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -93.73 94.02 8.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 123.0 1.381 . . . . 0.0 112.01 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -73.95 -8.96 58.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.937 -1.727 . . . . 0.0 115.658 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.95 2.26 56.14 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.755 -1.84 . . . . 0.0 112.085 173.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -90.14 -10.99 42.53 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.369 -1.457 . . . . 0.0 112.393 -168.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 120.289 -1.507 . . . . 0.0 114.528 -148.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.486 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -75.17 126.4 30.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.122 -1.611 . . . . 0.0 112.425 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -77.19 -22.07 52.96 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.511 1.124 . . . . 0.0 112.882 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.27 -37.47 80.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.736 -1.228 . . . . 0.0 112.851 166.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -83.13 -89.35 0.09 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 124.135 0.974 . . . . 0.0 111.593 169.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -83.93 102.62 12.55 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.268 1.427 . . . . 0.0 111.704 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -66.1 -12.03 52.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -78.94 -12.67 60.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 125.038 1.335 . . . . 0.0 111.588 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.35 21.94 8.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.26 1.623 0 O-C-N 119.491 -2.006 . . . . 0.0 112.476 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.429 -1.48 0 CA-C-O 121.888 0.852 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -74.46 103.17 4.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.27 -1.519 . . . . 0.0 113.508 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.04 -21.1 24.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.457 -1.402 . . . . 0.0 110.62 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -57.19 -39.95 76.4 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.531 1.132 . . . . 0.0 111.693 167.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -75.41 -99.09 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 112.908 166.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -82.24 120.32 25.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.396 -1.44 . . . . 0.0 110.143 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -68.41 -17.41 64.21 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.029 2.132 . . . . 0.0 116.563 -165.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.38 -16.31 54.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.839 -1.163 . . . . 0.0 112.263 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.36 42.82 1.12 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.403 -1.436 . . . . 0.0 111.61 -167.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.886 1.675 . . . . 0.0 110.645 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.43 -1.451 0 CA-C-O 121.433 0.635 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.1 106.67 2.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.656 -1.277 . . . . 0.0 113.348 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.16 -18.98 32.5 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.281 1.032 . . . . 0.0 112.636 -171.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.11 -39.19 86.65 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.257 -1.527 . . . . 0.0 111.692 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.6 -69.08 0.73 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.246 1.419 . . . . 0.0 111.576 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -79.05 86.32 4.9 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.037 1.335 . . . . 0.0 109.968 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -66.15 -25.5 66.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.798 1.639 . . . . 0.0 114.736 -166.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.8 -5.19 57.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.806 -1.184 . . . . 0.0 113.327 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.81 23.56 5.39 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.266 -1.521 . . . . 0.0 113.248 -163.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 118.72 -2.488 . . . . 0.0 107.448 170.416 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.494 0 CA-C-O 120.744 0.307 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -67.08 133.89 50.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -70.96 -21.45 62.33 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.38 -36.2 60.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.326 -1.484 . . . . 0.0 110.052 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -77.87 -88.49 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.049 -1.657 . . . . 0.0 115.014 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -96.94 103.25 15.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.71 -1.244 . . . . 0.0 111.413 -160.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -168.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.11 -12.15 60.06 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.775 -1.203 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.15 -6.45 59.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.962 -1.086 . . . . 0.0 113.72 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.259 1.605 0 CA-C-N 120.466 1.484 . . . . 0.0 112.782 -168.055 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.43 -1.461 0 CA-C-O 121.263 0.554 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -74.72 91.63 2.4 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.367 -2.083 . . . . 0.0 113.632 -175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 -27.48 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 123.425 0.69 . . . . 0.0 112.496 -175.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -60.94 -35.77 77.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.426 -1.422 . . . . 0.0 112.823 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -83.89 -84.02 0.14 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.884 -1.135 . . . . 0.0 111.928 173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.8 94.44 8.71 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 122.488 1.137 . . . . 0.0 110.782 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -71.87 -14.17 61.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.927 -1.733 . . . . 0.0 115.246 -171.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.07 -4.96 59.35 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.006 -1.684 . . . . 0.0 112.041 173.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.6 t -77.43 -22.13 51.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.963 -1.711 . . . . 0.0 113.63 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.484 -1.385 . . . . 0.0 113.841 -148.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.431 -1.415 0 CA-C-O 122.037 0.922 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -72.66 97.84 2.25 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.385 -1.447 . . . . 0.0 113.73 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.39 -18.66 33.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.608 -1.308 . . . . 0.0 111.477 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.95 -47.94 79.48 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.028 1.331 . . . . 0.0 111.916 164.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -82.59 -82.35 0.14 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.016 -1.052 . . . . 0.0 112.076 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -75.26 99.23 3.99 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.466 -1.397 . . . . 0.0 111.918 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -68.5 -13.27 62.2 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -166.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.44 -6.31 57.73 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.548 1.539 . . . . 0.0 112.606 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.51 37.28 1.5 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.215 1.406 . . . . 0.0 113.377 -169.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.258 1.547 0 O-C-N 119.345 -2.097 . . . . 0.0 110.088 174.674 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -67.3 87.67 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.592 1.157 . . . . 0.0 112.767 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 t -86.99 -20.69 26.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.1 1.36 . . . . 0.0 110.506 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -61.91 -37.75 85.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.475 -0.765 . . . . 0.0 111.778 167.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -83.24 -83.77 0.14 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.734 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -77.19 85.42 3.65 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.244 1.497 . . . . 0.0 112.646 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -70.11 -16.75 63.16 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.22 -1.91 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.688 -1.258 . . . . 0.0 111.969 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.65 -10.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.033 1.333 . . . . 0.0 114.361 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.26 1.655 0 O-C-N 119.58 -1.95 . . . . 0.0 111.128 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -69.88 104.52 2.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.594 -1.316 . . . . 0.0 112.371 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.0 -20.4 30.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.257 1.423 . . . . 0.0 110.403 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.45 -44.8 89.35 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.76 -1.213 . . . . 0.0 112.484 165.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -87.59 -71.28 0.58 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.001 -1.062 . . . . 0.0 112.014 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -78.51 85.99 4.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.661 1.984 . . . . 0.0 111.217 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -70.15 -17.93 63.2 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -167.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.4 3.02 48.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.747 -1.221 . . . . 0.0 112.165 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.12 14.52 23.62 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.27 -1.519 . . . . 0.0 114.112 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.259 1.58 0 O-C-N 118.416 -2.677 . . . . 0.0 111.451 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 122.269 1.033 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -69.67 111.44 5.46 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.509 1.523 . . . . 0.0 112.391 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -31.3 18.94 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 124.825 1.25 . . . . 0.0 110.115 -169.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.812 1.245 . . . . 0.0 111.179 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -84.0 -75.97 0.31 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.512 1.125 . . . . 0.0 111.856 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -82.5 97.09 8.25 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.506 1.146 . . . . 0.0 110.677 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -71.45 -27.01 62.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.23 -2.5 58.67 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.337 -1.477 . . . . 0.0 114.072 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 t -71.61 -21.86 61.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.26 1.644 0 O-C-N 120.025 -1.672 . . . . 0.0 114.078 -159.827 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.092 0.948 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p -67.5 100.13 0.83 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.071 1.348 . . . . 0.0 114.424 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.94 -27.08 39.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 124.531 1.132 . . . . 0.0 111.055 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -65.25 -34.17 77.73 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.061 -1.025 . . . . 0.0 113.067 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -83.95 -77.63 0.25 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.828 -1.17 . . . . 0.0 110.179 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.69 93.32 8.41 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.75 -1.219 . . . . 0.0 110.738 -176.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -65.55 -11.07 40.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.954 -1.716 . . . . 0.0 115.128 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.81 -0.23 56.68 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.548 1.939 . . . . 0.0 112.035 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.57 -16.17 27.53 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.198 -1.563 . . . . 0.0 113.425 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.261 1.664 0 C-N-CA 125.01 1.324 . . . . 0.0 112.062 -153.117 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.431 -1.4 0 CA-C-O 122.61 1.195 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -78.39 104.01 8.7 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.16 -25.15 24.22 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 124.885 1.274 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -61.47 -35.76 78.55 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.898 -1.126 . . . . 0.0 112.532 167.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -77.87 -93.91 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.005 0.922 . . . . 0.0 112.499 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -82.29 104.21 12.44 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.396 -1.44 . . . . 0.0 112.618 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -64.32 -16.28 61.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -14.49 60.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.683 1.193 . . . . 0.0 112.078 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -94.03 27.54 2.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.381 -1.449 . . . . 0.0 113.775 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.259 1.602 0 O-C-N 119.383 -2.073 . . . . 0.0 107.829 171.929 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 121.175 0.512 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -70.57 92.06 0.82 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.347 1.459 . . . . 0.0 112.996 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.6 t -82.3 -21.78 35.96 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.663 -1.273 . . . . 0.0 111.321 -171.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.54 -51.68 68.85 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.616 -1.303 . . . . 0.0 111.347 165.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -81.55 -73.19 0.39 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.35 1.06 . . . . 0.0 113.581 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.09 94.1 9.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.8 1.762 . . . . 0.0 110.994 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -72.16 -22.64 61.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.796 1.638 . . . . 0.0 114.951 -168.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.85 1.95 44.7 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.93 -1.732 . . . . 0.0 113.471 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.94 -12.61 52.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.596 -1.94 . . . . 0.0 113.491 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.259 1.597 0 C-N-CA 125.953 1.701 . . . . 0.0 111.914 -161.023 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 CA--C 1.49 -1.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -77.66 177.84 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.921 -1.112 . . . . 0.0 111.408 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -71.78 102.74 2.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.203 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 -29.78 22.54 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.692 -1.255 . . . . 0.0 109.686 -176.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -59.32 -41.64 89.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.055 1.742 . . . . 0.0 112.438 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -75.27 -85.61 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.614 1.166 . . . . 0.0 112.523 164.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.32 88.15 7.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.46 -1.4 . . . . 0.0 112.281 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -65.59 -18.83 65.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.11 -2.244 . . . . 0.0 115.688 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.44 1.01 27.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.014 1.326 . . . . 0.0 112.759 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 t -81.61 -23.54 36.98 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.837 -1.789 . . . . 0.0 112.065 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.26 1.613 0 C-N-CA 124.724 1.21 . . . . 0.0 111.082 -164.117 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.49 -1.359 0 CA-C-O 121.232 0.539 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 p -69.0 168.41 13.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.52 -1.363 . . . . 0.0 109.778 157.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -73.2 99.05 2.75 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.102 -1.624 . . . . 0.0 110.849 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.94 -23.84 44.37 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.731 1.212 . . . . 0.0 111.241 -167.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.82 -39.65 43.04 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.932 -1.105 . . . . 0.0 111.241 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -72.55 -62.47 1.43 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.799 -1.188 . . . . 0.0 113.082 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -97.01 89.81 4.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.95 1.7 . . . . 0.0 111.418 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -72.56 -25.95 61.55 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.444 -2.035 . . . . 0.0 116.269 -173.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.5 11.06 11.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.176 -1.577 . . . . 0.0 112.353 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 t -87.02 -24.53 24.62 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.158 -1.589 . . . . 0.0 113.1 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.261 1.705 0 O-C-N 120.409 -1.432 . . . . 0.0 110.73 -151.275 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -86.81 169.73 12.32 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.906 1.682 . . . . 0.0 113.935 -173.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -60.96 100.49 0.11 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.421 2.688 . . . . 0.0 113.031 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 -28.71 44.09 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.387 1.075 . . . . 0.0 111.471 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.46 -33.39 75.82 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.997 1.319 . . . . 0.0 113.007 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -84.5 -78.76 0.23 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.418 -1.426 . . . . 0.0 111.92 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.73 103.8 7.88 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.653 1.581 . . . . 0.0 113.235 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -79.9 -11.26 59.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.44 5.24 51.28 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.624 -1.298 . . . . 0.0 111.858 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -92.32 -26.33 18.15 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -161.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--O 1.259 1.593 0 O-C-N 119.391 -2.068 . . . . 0.0 110.582 -167.409 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 p -69.06 167.65 15.54 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -74.29 104.26 5.0 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.851 1.66 . . . . 0.0 112.283 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.13 -26.06 27.1 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.945 -1.097 . . . . 0.0 110.42 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.72 -46.64 86.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.097 1.359 . . . . 0.0 111.736 170.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -79.71 -77.71 0.18 Allowed 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 122.64 1.209 . . . . 0.0 112.301 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.7 85.55 5.7 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.017 1.327 . . . . 0.0 111.181 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -67.84 -16.46 64.11 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.4 -4.91 58.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.338 -1.476 . . . . 0.0 113.267 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -77.39 -20.94 53.95 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.869 -1.144 . . . . 0.0 113.74 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.26 1.643 0 O-C-N 120.943 -1.098 . . . . 0.0 113.07 -146.197 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.49 -1.341 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.55 160.41 20.48 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.524 -1.36 . . . . 0.0 111.245 170.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -62.97 107.47 1.01 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.767 1.627 . . . . 0.0 114.388 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -16.73 24.65 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.328 -0.858 . . . . 0.0 112.829 -171.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.14 -34.49 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.093 -1.629 . . . . 0.0 110.332 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -78.87 -85.05 0.08 Allowed 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.562 1.172 . . . . 0.0 111.551 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.95 81.58 5.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.036 1.334 . . . . 0.0 111.961 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -62.74 -22.62 66.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.933 -1.729 . . . . 0.0 114.794 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.7 4.84 14.98 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.412 1.085 . . . . 0.0 113.384 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 t -97.2 -1.79 44.22 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.585 -1.947 . . . . 0.0 112.929 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 119.068 -2.27 . . . . 0.0 111.766 177.592 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.491 -1.323 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.23 168.24 19.85 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.262 -1.524 . . . . 0.0 111.61 175.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -70.89 92.76 0.93 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.907 1.683 . . . . 0.0 112.932 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.69 -18.77 58.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.082 0.953 . . . . 0.0 111.765 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -43.52 94.63 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.177 -0.952 . . . . 0.0 112.951 164.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -80.85 -77.3 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.142 -1.599 . . . . 0.0 112.757 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -82.53 100.74 10.28 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.436 -1.415 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -71.1 -13.0 61.81 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -167.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.54 -6.26 59.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.35 -1.469 . . . . 0.0 112.484 170.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.01 40.19 1.15 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.361 -1.462 . . . . 0.0 112.062 -169.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.259 1.6 0 O-C-N 119.908 -1.745 . . . . 0.0 108.122 173.356 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.49 -1.343 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p -61.79 155.3 23.38 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.071 -1.018 . . . . 0.0 112.272 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -62.82 101.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.004 2.122 . . . . 0.0 112.092 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 -26.93 22.51 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 121.552 0.692 . . . . 0.0 111.409 -168.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.7 -37.12 85.23 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.85 -1.156 . . . . 0.0 110.388 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -81.5 -77.46 0.21 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.371 1.468 . . . . 0.0 110.111 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -77.75 86.66 4.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.378 1.471 . . . . 0.0 113.505 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.94 -21.22 64.21 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -173.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.8 1.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.144 -1.597 . . . . 0.0 112.912 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -90.14 -11.06 42.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.002 -1.686 . . . . 0.0 114.198 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.26 1.619 0 O-C-N 119.739 -1.851 . . . . 0.0 111.198 179.521 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.46 172.15 14.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.69 -1.256 . . . . 0.0 110.798 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.2 111.39 17.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.51 -1.369 . . . . 0.0 113.178 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -81.14 -20.21 41.83 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.105 0.962 . . . . 0.0 112.945 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -72.97 -38.18 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.546 -1.347 . . . . 0.0 111.295 173.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -75.51 -77.35 0.13 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.009 -1.057 . . . . 0.0 111.339 172.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -93.73 94.02 8.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 123.0 1.381 . . . . 0.0 112.01 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -73.95 -8.96 58.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.937 -1.727 . . . . 0.0 115.658 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.95 2.26 56.14 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.755 -1.84 . . . . 0.0 112.085 173.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -90.14 -10.99 42.53 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.369 -1.457 . . . . 0.0 112.393 -168.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 120.289 -1.507 . . . . 0.0 114.528 -148.862 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.49 -1.346 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 167.86 21.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.688 0.795 . . . . 0.0 109.253 165.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -75.17 126.4 30.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.122 -1.611 . . . . 0.0 112.425 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -77.19 -22.07 52.96 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.511 1.124 . . . . 0.0 112.882 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.27 -37.47 80.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.736 -1.228 . . . . 0.0 112.851 166.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -83.13 -89.35 0.09 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 124.135 0.974 . . . . 0.0 111.593 169.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -83.93 102.62 12.55 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.268 1.427 . . . . 0.0 111.704 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -66.1 -12.03 52.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -78.94 -12.67 60.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 125.038 1.335 . . . . 0.0 111.588 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.35 21.94 8.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.26 1.623 0 O-C-N 119.491 -2.006 . . . . 0.0 112.476 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 CA--C 1.49 -1.354 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.17 177.81 7.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.653 1.181 . . . . 0.0 111.139 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -74.46 103.17 4.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.27 -1.519 . . . . 0.0 113.508 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.04 -21.1 24.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.457 -1.402 . . . . 0.0 110.62 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -57.19 -39.95 76.4 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.531 1.132 . . . . 0.0 111.693 167.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -75.41 -99.09 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 112.908 166.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -82.24 120.32 25.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.396 -1.44 . . . . 0.0 110.143 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -68.41 -17.41 64.21 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.029 2.132 . . . . 0.0 116.563 -165.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.38 -16.31 54.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.839 -1.163 . . . . 0.0 112.263 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.36 42.82 1.12 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.403 -1.436 . . . . 0.0 111.61 -167.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.886 1.675 . . . . 0.0 110.645 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.49 -1.363 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -70.86 156.03 40.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.1 -1.0 . . . . 0.0 110.919 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.1 106.67 2.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.656 -1.277 . . . . 0.0 113.348 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.16 -18.98 32.5 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.281 1.032 . . . . 0.0 112.636 -171.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.11 -39.19 86.65 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.257 -1.527 . . . . 0.0 111.692 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.6 -69.08 0.73 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.246 1.419 . . . . 0.0 111.576 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -79.05 86.32 4.9 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.037 1.335 . . . . 0.0 109.968 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -66.15 -25.5 66.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.798 1.639 . . . . 0.0 114.736 -166.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.8 -5.19 57.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.806 -1.184 . . . . 0.0 113.327 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.81 23.56 5.39 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.266 -1.521 . . . . 0.0 113.248 -163.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 118.72 -2.488 . . . . 0.0 107.448 170.416 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 155.26 39.48 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.143 0.977 . . . . 0.0 110.847 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -67.08 133.89 50.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -70.96 -21.45 62.33 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.38 -36.2 60.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.326 -1.484 . . . . 0.0 110.052 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -77.87 -88.49 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.049 -1.657 . . . . 0.0 115.014 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -96.94 103.25 15.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.71 -1.244 . . . . 0.0 111.413 -160.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -168.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.11 -12.15 60.06 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.775 -1.203 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.15 -6.45 59.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.962 -1.086 . . . . 0.0 113.72 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.259 1.605 0 CA-C-N 120.466 1.484 . . . . 0.0 112.782 -168.055 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 CA--C 1.49 -1.345 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.85 -174.76 1.54 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 110.776 164.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -74.72 91.63 2.4 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.367 -2.083 . . . . 0.0 113.632 -175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 -27.48 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 123.425 0.69 . . . . 0.0 112.496 -175.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -60.94 -35.77 77.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.426 -1.422 . . . . 0.0 112.823 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -83.89 -84.02 0.14 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.884 -1.135 . . . . 0.0 111.928 173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.8 94.44 8.71 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 122.488 1.137 . . . . 0.0 110.782 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -71.87 -14.17 61.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.927 -1.733 . . . . 0.0 115.246 -171.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.07 -4.96 59.35 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.006 -1.684 . . . . 0.0 112.041 173.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.6 t -77.43 -22.13 51.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.963 -1.711 . . . . 0.0 113.63 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.484 -1.385 . . . . 0.0 113.841 -148.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 CA--C 1.491 -1.305 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.03 178.91 7.66 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.94 1.296 . . . . 0.0 112.137 -172.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -72.66 97.84 2.25 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.385 -1.447 . . . . 0.0 113.73 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.39 -18.66 33.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.608 -1.308 . . . . 0.0 111.477 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.95 -47.94 79.48 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.028 1.331 . . . . 0.0 111.916 164.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -82.59 -82.35 0.14 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.016 -1.052 . . . . 0.0 112.076 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -75.26 99.23 3.99 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.466 -1.397 . . . . 0.0 111.918 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -68.5 -13.27 62.2 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -166.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.44 -6.31 57.73 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.548 1.539 . . . . 0.0 112.606 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.51 37.28 1.5 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.215 1.406 . . . . 0.0 113.377 -169.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.258 1.547 0 O-C-N 119.345 -2.097 . . . . 0.0 110.088 174.674 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 CA--C 1.49 -1.365 0 CA-C-O 121.182 0.515 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.75 165.21 17.79 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.122 -1.611 . . . . 0.0 110.868 166.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -67.3 87.67 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.592 1.157 . . . . 0.0 112.767 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 t -86.99 -20.69 26.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.1 1.36 . . . . 0.0 110.506 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -61.91 -37.75 85.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.475 -0.765 . . . . 0.0 111.778 167.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -83.24 -83.77 0.14 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.734 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -77.19 85.42 3.65 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.244 1.497 . . . . 0.0 112.646 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -70.11 -16.75 63.16 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.22 -1.91 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.688 -1.258 . . . . 0.0 111.969 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.65 -10.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.033 1.333 . . . . 0.0 114.361 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.26 1.655 0 O-C-N 119.58 -1.95 . . . . 0.0 111.128 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 CA--C 1.49 -1.336 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.33 160.86 2.82 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.633 1.973 . . . . 0.0 113.76 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -69.88 104.52 2.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.594 -1.316 . . . . 0.0 112.371 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.0 -20.4 30.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.257 1.423 . . . . 0.0 110.403 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.45 -44.8 89.35 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.76 -1.213 . . . . 0.0 112.484 165.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -87.59 -71.28 0.58 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.001 -1.062 . . . . 0.0 112.014 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -78.51 85.99 4.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.661 1.984 . . . . 0.0 111.217 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -70.15 -17.93 63.2 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -167.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.4 3.02 48.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.747 -1.221 . . . . 0.0 112.165 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.12 14.52 23.62 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.27 -1.519 . . . . 0.0 114.112 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.259 1.58 0 O-C-N 118.416 -2.677 . . . . 0.0 111.451 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 p -70.45 167.48 18.19 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.869 -1.144 . . . . 0.0 111.714 165.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -69.67 111.44 5.46 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.509 1.523 . . . . 0.0 112.391 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -31.3 18.94 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 124.825 1.25 . . . . 0.0 110.115 -169.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.812 1.245 . . . . 0.0 111.179 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -84.0 -75.97 0.31 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.512 1.125 . . . . 0.0 111.856 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -82.5 97.09 8.25 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.506 1.146 . . . . 0.0 110.677 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -71.45 -27.01 62.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.23 -2.5 58.67 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.337 -1.477 . . . . 0.0 114.072 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 t -71.61 -21.86 61.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.26 1.644 0 O-C-N 120.025 -1.672 . . . . 0.0 114.078 -159.827 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.49 -1.327 0 CA-C-O 120.401 0.143 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.45 166.96 19.32 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 121.097 -1.002 . . . . 0.0 113.085 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p -67.5 100.13 0.83 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.071 1.348 . . . . 0.0 114.424 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.94 -27.08 39.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 124.531 1.132 . . . . 0.0 111.055 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -65.25 -34.17 77.73 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.061 -1.025 . . . . 0.0 113.067 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -83.95 -77.63 0.25 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.828 -1.17 . . . . 0.0 110.179 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.69 93.32 8.41 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.75 -1.219 . . . . 0.0 110.738 -176.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -65.55 -11.07 40.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.954 -1.716 . . . . 0.0 115.128 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.81 -0.23 56.68 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.548 1.939 . . . . 0.0 112.035 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.57 -16.17 27.53 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.198 -1.563 . . . . 0.0 113.425 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.261 1.664 0 C-N-CA 125.01 1.324 . . . . 0.0 112.062 -153.117 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 CA--C 1.489 -1.383 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.73 171.79 14.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 122.61 1.195 . . . . 0.0 110.607 167.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -78.39 104.01 8.7 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.16 -25.15 24.22 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 124.885 1.274 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -61.47 -35.76 78.55 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.898 -1.126 . . . . 0.0 112.532 167.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -77.87 -93.91 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.005 0.922 . . . . 0.0 112.499 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -82.29 104.21 12.44 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.396 -1.44 . . . . 0.0 112.618 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -64.32 -16.28 61.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -14.49 60.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.683 1.193 . . . . 0.0 112.078 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -94.03 27.54 2.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.381 -1.449 . . . . 0.0 113.775 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.259 1.602 0 O-C-N 119.383 -2.073 . . . . 0.0 107.829 171.929 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 CA--C 1.49 -1.334 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -77.81 178.4 7.42 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.04 -1.038 . . . . 0.0 111.22 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -70.57 92.06 0.82 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.347 1.459 . . . . 0.0 112.996 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.6 t -82.3 -21.78 35.96 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.663 -1.273 . . . . 0.0 111.321 -171.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.54 -51.68 68.85 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.616 -1.303 . . . . 0.0 111.347 165.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -81.55 -73.19 0.39 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.35 1.06 . . . . 0.0 113.581 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.09 94.1 9.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.8 1.762 . . . . 0.0 110.994 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -72.16 -22.64 61.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.796 1.638 . . . . 0.0 114.951 -168.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.85 1.95 44.7 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.93 -1.732 . . . . 0.0 113.471 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.94 -12.61 52.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.596 -1.94 . . . . 0.0 113.491 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.259 1.597 0 C-N-CA 125.953 1.701 . . . . 0.0 111.914 -161.023 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.43 -1.452 0 CA-C-O 122.087 0.946 . . . . 0.0 111.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -71.78 102.74 2.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.203 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 -29.78 22.54 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.692 -1.255 . . . . 0.0 109.686 -176.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -59.32 -41.64 89.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.055 1.742 . . . . 0.0 112.438 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -75.27 -85.61 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.614 1.166 . . . . 0.0 112.523 164.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.32 88.15 7.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.46 -1.4 . . . . 0.0 112.281 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -65.59 -18.83 65.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.11 -2.244 . . . . 0.0 115.688 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.44 1.01 27.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.014 1.326 . . . . 0.0 112.759 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 t -81.61 -23.54 36.98 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.837 -1.789 . . . . 0.0 112.065 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.26 1.613 0 C-N-CA 124.724 1.21 . . . . 0.0 111.082 -164.117 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.43 -1.441 0 CA-C-O 121.506 0.67 . . . . 0.0 109.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -73.2 99.05 2.75 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.102 -1.624 . . . . 0.0 110.849 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.94 -23.84 44.37 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.731 1.212 . . . . 0.0 111.241 -167.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.82 -39.65 43.04 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.932 -1.105 . . . . 0.0 111.241 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -72.55 -62.47 1.43 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.799 -1.188 . . . . 0.0 113.082 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -97.01 89.81 4.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.95 1.7 . . . . 0.0 111.418 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -72.56 -25.95 61.55 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.444 -2.035 . . . . 0.0 116.269 -173.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.5 11.06 11.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.176 -1.577 . . . . 0.0 112.353 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 t -87.02 -24.53 24.62 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.158 -1.589 . . . . 0.0 113.1 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.261 1.705 0 O-C-N 120.409 -1.432 . . . . 0.0 110.73 -151.275 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.429 -1.481 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -60.96 100.49 0.11 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.421 2.688 . . . . 0.0 113.031 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 -28.71 44.09 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.387 1.075 . . . . 0.0 111.471 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.46 -33.39 75.82 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.997 1.319 . . . . 0.0 113.007 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -84.5 -78.76 0.23 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.418 -1.426 . . . . 0.0 111.92 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.73 103.8 7.88 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.653 1.581 . . . . 0.0 113.235 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -79.9 -11.26 59.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.44 5.24 51.28 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.624 -1.298 . . . . 0.0 111.858 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -92.32 -26.33 18.15 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -161.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--O 1.259 1.593 0 O-C-N 119.391 -2.068 . . . . 0.0 110.582 -167.409 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.429 -1.502 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -74.29 104.26 5.0 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.851 1.66 . . . . 0.0 112.283 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.13 -26.06 27.1 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.945 -1.097 . . . . 0.0 110.42 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.72 -46.64 86.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.097 1.359 . . . . 0.0 111.736 170.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -79.71 -77.71 0.18 Allowed 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 122.64 1.209 . . . . 0.0 112.301 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.7 85.55 5.7 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.017 1.327 . . . . 0.0 111.181 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -67.84 -16.46 64.11 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.4 -4.91 58.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.338 -1.476 . . . . 0.0 113.267 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -77.39 -20.94 53.95 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.869 -1.144 . . . . 0.0 113.74 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.26 1.643 0 O-C-N 120.943 -1.098 . . . . 0.0 113.07 -146.197 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.431 -1.413 0 CA-C-O 120.843 0.354 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -62.97 107.47 1.01 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.767 1.627 . . . . 0.0 114.388 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -16.73 24.65 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.328 -0.858 . . . . 0.0 112.829 -171.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.14 -34.49 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.093 -1.629 . . . . 0.0 110.332 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -78.87 -85.05 0.08 Allowed 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.562 1.172 . . . . 0.0 111.551 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.95 81.58 5.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.036 1.334 . . . . 0.0 111.961 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -62.74 -22.62 66.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.933 -1.729 . . . . 0.0 114.794 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.7 4.84 14.98 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.412 1.085 . . . . 0.0 113.384 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 t -97.2 -1.79 44.22 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.585 -1.947 . . . . 0.0 112.929 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 119.068 -2.27 . . . . 0.0 111.766 177.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.43 -1.444 0 CA-C-O 122.012 0.91 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -70.89 92.76 0.93 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.907 1.683 . . . . 0.0 112.932 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.69 -18.77 58.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.082 0.953 . . . . 0.0 111.765 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -43.52 94.63 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.177 -0.952 . . . . 0.0 112.951 164.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -80.85 -77.3 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.142 -1.599 . . . . 0.0 112.757 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -82.53 100.74 10.28 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.436 -1.415 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -71.1 -13.0 61.81 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -167.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.54 -6.26 59.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.35 -1.469 . . . . 0.0 112.484 170.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.01 40.19 1.15 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.361 -1.462 . . . . 0.0 112.062 -169.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.259 1.6 0 O-C-N 119.908 -1.745 . . . . 0.0 108.122 173.356 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.43 -1.468 0 CA-C-O 121.783 0.801 . . . . 0.0 112.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -62.82 101.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.004 2.122 . . . . 0.0 112.092 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 -26.93 22.51 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 121.552 0.692 . . . . 0.0 111.409 -168.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.7 -37.12 85.23 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.85 -1.156 . . . . 0.0 110.388 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -81.5 -77.46 0.21 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.371 1.468 . . . . 0.0 110.111 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.75 86.66 4.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.378 1.471 . . . . 0.0 113.505 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.94 -21.22 64.21 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.8 1.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.144 -1.597 . . . . 0.0 112.912 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -90.14 -11.06 42.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.002 -1.686 . . . . 0.0 114.198 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.26 1.619 0 O-C-N 119.739 -1.851 . . . . 0.0 111.198 179.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.43 -1.461 0 CA-C-O 121.715 0.769 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.2 111.39 17.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.51 -1.369 . . . . 0.0 113.178 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -81.14 -20.21 41.83 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.105 0.962 . . . . 0.0 112.945 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -72.97 -38.18 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.546 -1.347 . . . . 0.0 111.295 173.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -75.51 -77.35 0.13 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.009 -1.057 . . . . 0.0 111.339 172.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -93.73 94.02 8.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 123.0 1.381 . . . . 0.0 112.01 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -73.95 -8.96 58.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.937 -1.727 . . . . 0.0 115.658 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.95 2.26 56.14 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.755 -1.84 . . . . 0.0 112.085 173.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -90.14 -10.99 42.53 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.369 -1.457 . . . . 0.0 112.393 -168.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 120.289 -1.507 . . . . 0.0 114.528 -148.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.429 -1.486 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -75.17 126.4 30.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.122 -1.611 . . . . 0.0 112.425 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -77.19 -22.07 52.96 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.511 1.124 . . . . 0.0 112.882 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.27 -37.47 80.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.736 -1.228 . . . . 0.0 112.851 166.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -83.13 -89.35 0.09 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 124.135 0.974 . . . . 0.0 111.593 169.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -83.93 102.62 12.55 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.268 1.427 . . . . 0.0 111.704 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -66.1 -12.03 52.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -78.94 -12.67 60.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 125.038 1.335 . . . . 0.0 111.588 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.35 21.94 8.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.26 1.623 0 O-C-N 119.491 -2.006 . . . . 0.0 112.476 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.429 -1.48 0 CA-C-O 121.888 0.852 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -74.46 103.17 4.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.27 -1.519 . . . . 0.0 113.508 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.04 -21.1 24.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.457 -1.402 . . . . 0.0 110.62 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -57.19 -39.95 76.4 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.531 1.132 . . . . 0.0 111.693 167.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -75.41 -99.09 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 112.908 166.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -82.24 120.32 25.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.396 -1.44 . . . . 0.0 110.143 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -68.41 -17.41 64.21 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.029 2.132 . . . . 0.0 116.563 -165.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.38 -16.31 54.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.839 -1.163 . . . . 0.0 112.263 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.36 42.82 1.12 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.403 -1.436 . . . . 0.0 111.61 -167.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.886 1.675 . . . . 0.0 110.645 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.43 -1.451 0 CA-C-O 121.433 0.635 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.1 106.67 2.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.656 -1.277 . . . . 0.0 113.348 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.16 -18.98 32.5 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.281 1.032 . . . . 0.0 112.636 -171.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.11 -39.19 86.65 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.257 -1.527 . . . . 0.0 111.692 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.6 -69.08 0.73 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.246 1.419 . . . . 0.0 111.576 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -79.05 86.32 4.9 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.037 1.335 . . . . 0.0 109.968 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -66.15 -25.5 66.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.798 1.639 . . . . 0.0 114.736 -166.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.8 -5.19 57.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.806 -1.184 . . . . 0.0 113.327 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.81 23.56 5.39 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.266 -1.521 . . . . 0.0 113.248 -163.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 118.72 -2.488 . . . . 0.0 107.448 170.416 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.494 0 CA-C-O 120.744 0.307 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -67.08 133.89 50.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -70.96 -21.45 62.33 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.38 -36.2 60.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.326 -1.484 . . . . 0.0 110.052 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -77.87 -88.49 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.049 -1.657 . . . . 0.0 115.014 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -96.94 103.25 15.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.71 -1.244 . . . . 0.0 111.413 -160.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -168.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.11 -12.15 60.06 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.775 -1.203 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.15 -6.45 59.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.962 -1.086 . . . . 0.0 113.72 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.259 1.605 0 CA-C-N 120.466 1.484 . . . . 0.0 112.782 -168.055 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.43 -1.461 0 CA-C-O 121.263 0.554 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -74.72 91.63 2.4 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.367 -2.083 . . . . 0.0 113.632 -175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 -27.48 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 123.425 0.69 . . . . 0.0 112.496 -175.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -60.94 -35.77 77.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.426 -1.422 . . . . 0.0 112.823 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -83.89 -84.02 0.14 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.884 -1.135 . . . . 0.0 111.928 173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.8 94.44 8.71 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 122.488 1.137 . . . . 0.0 110.782 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -71.87 -14.17 61.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.927 -1.733 . . . . 0.0 115.246 -171.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.07 -4.96 59.35 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.006 -1.684 . . . . 0.0 112.041 173.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.6 t -77.43 -22.13 51.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.963 -1.711 . . . . 0.0 113.63 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.484 -1.385 . . . . 0.0 113.841 -148.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.431 -1.415 0 CA-C-O 122.037 0.922 . . . . 0.0 112.137 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -72.66 97.84 2.25 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.385 -1.447 . . . . 0.0 113.73 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.39 -18.66 33.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.608 -1.308 . . . . 0.0 111.477 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.95 -47.94 79.48 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.028 1.331 . . . . 0.0 111.916 164.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -82.59 -82.35 0.14 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.016 -1.052 . . . . 0.0 112.076 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -75.26 99.23 3.99 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.466 -1.397 . . . . 0.0 111.918 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -68.5 -13.27 62.2 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -166.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.44 -6.31 57.73 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.548 1.539 . . . . 0.0 112.606 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.51 37.28 1.5 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.215 1.406 . . . . 0.0 113.377 -169.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.258 1.547 0 O-C-N 119.345 -2.097 . . . . 0.0 110.088 174.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.43 -1.429 0 N-CA-C 110.868 -0.049 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -67.3 87.67 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.592 1.157 . . . . 0.0 112.767 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 t -86.99 -20.69 26.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.1 1.36 . . . . 0.0 110.506 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -61.91 -37.75 85.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.475 -0.765 . . . . 0.0 111.778 167.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -83.24 -83.77 0.14 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.734 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -77.19 85.42 3.65 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.244 1.497 . . . . 0.0 112.646 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -70.11 -16.75 63.16 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.22 -1.91 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.688 -1.258 . . . . 0.0 111.969 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.65 -10.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.033 1.333 . . . . 0.0 114.361 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.26 1.655 0 O-C-N 119.58 -1.95 . . . . 0.0 111.128 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -69.88 104.52 2.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.594 -1.316 . . . . 0.0 112.371 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.0 -20.4 30.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.257 1.423 . . . . 0.0 110.403 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.45 -44.8 89.35 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.76 -1.213 . . . . 0.0 112.484 165.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -87.59 -71.28 0.58 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.001 -1.062 . . . . 0.0 112.014 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -78.51 85.99 4.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.661 1.984 . . . . 0.0 111.217 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -70.15 -17.93 63.2 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -167.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.4 3.02 48.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.747 -1.221 . . . . 0.0 112.165 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.12 14.52 23.62 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.27 -1.519 . . . . 0.0 114.112 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.259 1.58 0 O-C-N 118.416 -2.677 . . . . 0.0 111.451 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.43 -1.429 0 CA-C-O 122.269 1.033 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -69.67 111.44 5.46 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.509 1.523 . . . . 0.0 112.391 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -31.3 18.94 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 124.825 1.25 . . . . 0.0 110.115 -169.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.812 1.245 . . . . 0.0 111.179 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -84.0 -75.97 0.31 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.512 1.125 . . . . 0.0 111.856 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -82.5 97.09 8.25 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.506 1.146 . . . . 0.0 110.677 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -71.45 -27.01 62.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.23 -2.5 58.67 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.337 -1.477 . . . . 0.0 114.072 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 t -71.61 -21.86 61.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.26 1.644 0 O-C-N 120.025 -1.672 . . . . 0.0 114.078 -159.827 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.429 -1.506 0 CA-C-O 122.092 0.948 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p -67.5 100.13 0.83 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.071 1.348 . . . . 0.0 114.424 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.94 -27.08 39.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 124.531 1.132 . . . . 0.0 111.055 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -65.25 -34.17 77.73 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.061 -1.025 . . . . 0.0 113.067 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -83.95 -77.63 0.25 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.828 -1.17 . . . . 0.0 110.179 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.69 93.32 8.41 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.75 -1.219 . . . . 0.0 110.738 -176.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -65.55 -11.07 40.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.954 -1.716 . . . . 0.0 115.128 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.81 -0.23 56.68 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.548 1.939 . . . . 0.0 112.035 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.57 -16.17 27.53 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.198 -1.563 . . . . 0.0 113.425 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.261 1.664 0 C-N-CA 125.01 1.324 . . . . 0.0 112.062 -153.117 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.431 -1.4 0 CA-C-O 122.61 1.195 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -78.39 104.01 8.7 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.16 -25.15 24.22 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 124.885 1.274 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -61.47 -35.76 78.55 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.898 -1.126 . . . . 0.0 112.532 167.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -77.87 -93.91 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.005 0.922 . . . . 0.0 112.499 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -82.29 104.21 12.44 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.396 -1.44 . . . . 0.0 112.618 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -64.32 -16.28 61.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -14.49 60.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.683 1.193 . . . . 0.0 112.078 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -94.03 27.54 2.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.381 -1.449 . . . . 0.0 113.775 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.259 1.602 0 O-C-N 119.383 -2.073 . . . . 0.0 107.829 171.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 121.175 0.512 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -70.57 92.06 0.82 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.347 1.459 . . . . 0.0 112.996 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.6 t -82.3 -21.78 35.96 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.663 -1.273 . . . . 0.0 111.321 -171.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.54 -51.68 68.85 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.616 -1.303 . . . . 0.0 111.347 165.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -81.55 -73.19 0.39 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.35 1.06 . . . . 0.0 113.581 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.09 94.1 9.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.8 1.762 . . . . 0.0 110.994 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -72.16 -22.64 61.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.796 1.638 . . . . 0.0 114.951 -168.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.85 1.95 44.7 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.93 -1.732 . . . . 0.0 113.471 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.94 -12.61 52.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.596 -1.94 . . . . 0.0 113.491 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.259 1.597 0 C-N-CA 125.953 1.701 . . . . 0.0 111.914 -161.023 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 CA--C 1.49 -1.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -77.66 177.84 7.78 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.921 -1.112 . . . . 0.0 111.408 170.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -71.78 102.74 2.91 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.203 -176.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 -29.78 22.54 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 120.692 -1.255 . . . . 0.0 109.686 -176.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -59.32 -41.64 89.57 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.055 1.742 . . . . 0.0 112.438 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -75.27 -85.61 0.04 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.614 1.166 . . . . 0.0 112.523 164.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -90.32 88.15 7.09 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.46 -1.4 . . . . 0.0 112.281 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -65.59 -18.83 65.61 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.11 -2.244 . . . . 0.0 115.688 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.44 1.01 27.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.014 1.326 . . . . 0.0 112.759 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.7 t -81.61 -23.54 36.98 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 119.837 -1.789 . . . . 0.0 112.065 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 C--O 1.26 1.613 0 C-N-CA 124.724 1.21 . . . . 0.0 111.082 -164.117 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 m . . . . . 0 CA--C 1.49 -1.359 0 CA-C-O 121.232 0.539 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 p -69.0 168.41 13.84 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.52 -1.363 . . . . 0.0 109.778 157.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -73.2 99.05 2.75 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.102 -1.624 . . . . 0.0 110.849 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.5 t -78.94 -23.84 44.37 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 124.731 1.212 . . . . 0.0 111.241 -167.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.82 -39.65 43.04 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 120.932 -1.105 . . . . 0.0 111.241 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 mtt85 -72.55 -62.47 1.43 Allowed 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.799 -1.188 . . . . 0.0 113.082 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -97.01 89.81 4.95 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 125.95 1.7 . . . . 0.0 111.418 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -72.56 -25.95 61.55 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 119.444 -2.035 . . . . 0.0 116.269 -173.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -85.5 11.06 11.3 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.176 -1.577 . . . . 0.0 112.353 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.2 t -87.02 -24.53 24.62 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.158 -1.589 . . . . 0.0 113.1 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.261 1.705 0 O-C-N 120.409 -1.432 . . . . 0.0 110.73 -151.275 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.489 -1.373 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -86.81 169.73 12.32 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.906 1.682 . . . . 0.0 113.935 -173.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 p -60.96 100.49 0.11 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 128.421 2.688 . . . . 0.0 113.031 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.89 -28.71 44.09 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.387 1.075 . . . . 0.0 111.471 -175.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.46 -33.39 75.82 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 124.997 1.319 . . . . 0.0 113.007 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.8 mtt85 -84.5 -78.76 0.23 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.418 -1.426 . . . . 0.0 111.92 170.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -77.73 103.8 7.88 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 125.653 1.581 . . . . 0.0 113.235 -171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -79.9 -11.26 59.82 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 -173.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.44 5.24 51.28 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 120.624 -1.298 . . . . 0.0 111.858 172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 t -92.32 -26.33 18.15 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -161.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 83.0 m . . . . . 0 C--O 1.259 1.593 0 O-C-N 119.391 -2.068 . . . . 0.0 110.582 -167.409 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.1 m . . . . . 0 CA--C 1.49 -1.361 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.0 p -69.06 167.65 15.54 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 p -74.29 104.26 5.0 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.851 1.66 . . . . 0.0 112.283 -172.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 t -85.13 -26.06 27.1 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.945 -1.097 . . . . 0.0 110.42 -177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.72 -46.64 86.91 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.097 1.359 . . . . 0.0 111.736 170.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.2 mtt-85 -79.71 -77.71 0.18 Allowed 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 122.64 1.209 . . . . 0.0 112.301 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -91.7 85.55 5.7 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.017 1.327 . . . . 0.0 111.181 -173.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -67.84 -16.46 64.11 Favored 'General case' 0 N--CA 1.429 -1.519 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -170.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -82.4 -4.91 58.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.338 -1.476 . . . . 0.0 113.267 173.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.9 t -77.39 -20.94 53.95 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.869 -1.144 . . . . 0.0 113.74 -172.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.26 1.643 0 O-C-N 120.943 -1.098 . . . . 0.0 113.07 -146.197 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 CA--C 1.49 -1.341 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -84.55 160.41 20.48 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 120.524 -1.36 . . . . 0.0 111.245 170.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -62.97 107.47 1.01 Allowed 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 125.767 1.627 . . . . 0.0 114.388 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.07 -16.73 24.65 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.328 -0.858 . . . . 0.0 112.829 -171.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.14 -34.49 66.12 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 120.093 -1.629 . . . . 0.0 110.332 172.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -78.87 -85.05 0.08 Allowed 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.562 1.172 . . . . 0.0 111.551 167.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -78.95 81.58 5.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.036 1.334 . . . . 0.0 111.961 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -62.74 -22.62 66.69 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.933 -1.729 . . . . 0.0 114.794 -177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.7 4.84 14.98 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 124.412 1.085 . . . . 0.0 113.384 174.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 t -97.2 -1.79 44.22 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.585 -1.947 . . . . 0.0 112.929 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.26 1.637 0 O-C-N 119.068 -2.27 . . . . 0.0 111.766 177.592 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 CA--C 1.491 -1.323 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.23 168.24 19.85 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.262 -1.524 . . . . 0.0 111.61 175.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 p -70.89 92.76 0.93 Allowed 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 125.907 1.683 . . . . 0.0 112.932 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -76.69 -18.77 58.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.082 0.953 . . . . 0.0 111.765 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.86 -43.52 94.63 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 121.177 -0.952 . . . . 0.0 112.951 164.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -80.85 -77.3 0.21 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.142 -1.599 . . . . 0.0 112.757 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -82.53 100.74 10.28 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.436 -1.415 . . . . 0.0 111.199 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -71.1 -13.0 61.81 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -167.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 mt -85.54 -6.26 59.2 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.35 -1.469 . . . . 0.0 112.484 170.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.01 40.19 1.15 Allowed 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.361 -1.462 . . . . 0.0 112.062 -169.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.259 1.6 0 O-C-N 119.908 -1.745 . . . . 0.0 108.122 173.356 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 CA--C 1.49 -1.343 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p -61.79 155.3 23.38 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.071 -1.018 . . . . 0.0 112.272 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 p -62.82 101.28 0.25 Allowed 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.004 2.122 . . . . 0.0 112.092 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -87.87 -26.93 22.51 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 121.552 0.692 . . . . 0.0 111.409 -168.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -62.7 -37.12 85.23 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.85 -1.156 . . . . 0.0 110.388 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -81.5 -77.46 0.21 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.371 1.468 . . . . 0.0 110.111 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -77.75 86.66 4.02 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.378 1.471 . . . . 0.0 113.505 175.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -68.94 -21.22 64.21 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 116.442 2.016 . . . . 0.0 116.442 -173.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.8 1.77 41.36 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 120.144 -1.597 . . . . 0.0 112.912 173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -90.14 -11.06 42.31 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.002 -1.686 . . . . 0.0 114.198 -172.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.5 m . . . . . 0 C--O 1.26 1.619 0 O-C-N 119.739 -1.851 . . . . 0.0 111.198 179.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.1 p -78.46 172.15 14.07 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.69 -1.256 . . . . 0.0 110.798 162.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.2 111.39 17.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.51 -1.369 . . . . 0.0 113.178 -175.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -81.14 -20.21 41.83 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.105 0.962 . . . . 0.0 112.945 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -72.97 -38.18 66.8 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.546 -1.347 . . . . 0.0 111.295 173.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtt180 -75.51 -77.35 0.13 Allowed 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 121.009 -1.057 . . . . 0.0 111.339 172.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -93.73 94.02 8.33 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 123.0 1.381 . . . . 0.0 112.01 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -73.95 -8.96 58.04 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.937 -1.727 . . . . 0.0 115.658 -174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.6 mt -93.95 2.26 56.14 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.755 -1.84 . . . . 0.0 112.085 173.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 t -90.14 -10.99 42.53 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.369 -1.457 . . . . 0.0 112.393 -168.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.26 1.636 0 O-C-N 120.289 -1.507 . . . . 0.0 114.528 -148.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.49 -1.346 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.14 167.86 21.1 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 123.688 0.795 . . . . 0.0 109.253 165.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -75.17 126.4 30.95 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.122 -1.611 . . . . 0.0 112.425 -176.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 t -77.19 -22.07 52.96 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.511 1.124 . . . . 0.0 112.882 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.27 -37.47 80.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.736 -1.228 . . . . 0.0 112.851 166.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -83.13 -89.35 0.09 Allowed 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 124.135 0.974 . . . . 0.0 111.593 169.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -83.93 102.62 12.55 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.268 1.427 . . . . 0.0 111.704 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -66.1 -12.03 52.85 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -171.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -78.94 -12.67 60.04 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 125.038 1.335 . . . . 0.0 111.588 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.5 m -96.35 21.94 8.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.26 1.623 0 O-C-N 119.491 -2.006 . . . . 0.0 112.476 -179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.2 m . . . . . 0 CA--C 1.49 -1.354 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.9 p -86.17 177.81 7.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 124.653 1.181 . . . . 0.0 111.139 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 p -74.46 103.17 4.71 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 120.27 -1.519 . . . . 0.0 113.508 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.04 -21.1 24.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.457 -1.402 . . . . 0.0 110.62 178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -57.19 -39.95 76.4 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.531 1.132 . . . . 0.0 111.693 167.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -75.41 -99.09 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.817 -1.177 . . . . 0.0 112.908 166.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -82.24 120.32 25.21 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.396 -1.44 . . . . 0.0 110.143 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -68.41 -17.41 64.21 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 127.029 2.132 . . . . 0.0 116.563 -165.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -80.38 -16.31 54.8 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.839 -1.163 . . . . 0.0 112.263 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -91.36 42.82 1.12 Allowed 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.403 -1.436 . . . . 0.0 111.61 -167.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.886 1.675 . . . . 0.0 110.645 -178.818 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.49 -1.363 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -70.86 156.03 40.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 121.1 -1.0 . . . . 0.0 110.919 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.1 106.67 2.89 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.656 -1.277 . . . . 0.0 113.348 -171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -85.16 -18.98 32.5 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.281 1.032 . . . . 0.0 112.636 -171.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -67.11 -39.19 86.65 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.257 -1.527 . . . . 0.0 111.692 170.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -88.6 -69.08 0.73 Allowed 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.246 1.419 . . . . 0.0 111.576 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -79.05 86.32 4.9 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.037 1.335 . . . . 0.0 109.968 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -66.15 -25.5 66.99 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 125.798 1.639 . . . . 0.0 114.736 -166.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.8 -5.19 57.97 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.806 -1.184 . . . . 0.0 113.327 175.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -94.81 23.56 5.39 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.266 -1.521 . . . . 0.0 113.248 -163.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.26 1.624 0 O-C-N 118.72 -2.488 . . . . 0.0 107.448 170.416 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 CA--C 1.489 -1.369 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 155.26 39.48 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.143 0.977 . . . . 0.0 110.847 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -67.08 133.89 50.77 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.443 1.645 . . . . 0.0 115.443 -169.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.5 m -70.96 -21.45 62.33 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -75.38 -36.2 60.96 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.326 -1.484 . . . . 0.0 110.052 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -77.87 -88.49 0.05 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.049 -1.657 . . . . 0.0 115.014 163.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -96.94 103.25 15.16 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.71 -1.244 . . . . 0.0 111.413 -160.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 115.924 1.824 . . . . 0.0 115.924 -168.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.5 mt -76.11 -12.15 60.06 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.775 -1.203 . . . . 0.0 111.165 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.15 -6.45 59.4 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.962 -1.086 . . . . 0.0 113.72 177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.259 1.605 0 CA-C-N 120.466 1.484 . . . . 0.0 112.782 -168.055 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 CA--C 1.49 -1.345 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -72.85 -174.76 1.54 Allowed 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 110.776 164.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -74.72 91.63 2.4 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 119.367 -2.083 . . . . 0.0 113.632 -175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 t -78.91 -27.48 43.83 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 123.425 0.69 . . . . 0.0 112.496 -175.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -60.94 -35.77 77.59 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.426 -1.422 . . . . 0.0 112.823 171.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -83.89 -84.02 0.14 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.884 -1.135 . . . . 0.0 111.928 173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.8 94.44 8.71 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 122.488 1.137 . . . . 0.0 110.782 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -71.87 -14.17 61.87 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.927 -1.733 . . . . 0.0 115.246 -171.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -85.07 -4.96 59.35 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.006 -1.684 . . . . 0.0 112.041 173.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.6 t -77.43 -22.13 51.97 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.963 -1.711 . . . . 0.0 113.63 -172.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.261 1.675 0 O-C-N 120.484 -1.385 . . . . 0.0 113.841 -148.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 CA--C 1.491 -1.305 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.03 178.91 7.66 Favored 'General case' 0 N--CA 1.431 -1.415 0 C-N-CA 124.94 1.296 . . . . 0.0 112.137 -172.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 p -72.66 97.84 2.25 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.385 -1.447 . . . . 0.0 113.73 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.39 -18.66 33.05 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.608 -1.308 . . . . 0.0 111.477 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -56.95 -47.94 79.48 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.028 1.331 . . . . 0.0 111.916 164.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 32.9 mtt85 -82.59 -82.35 0.14 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 121.016 -1.052 . . . . 0.0 112.076 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -75.26 99.23 3.99 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.466 -1.397 . . . . 0.0 111.918 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -68.5 -13.27 62.2 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -166.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -88.44 -6.31 57.73 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.548 1.539 . . . . 0.0 112.606 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.51 37.28 1.5 Allowed 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.215 1.406 . . . . 0.0 113.377 -169.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.258 1.547 0 O-C-N 119.345 -2.097 . . . . 0.0 110.088 174.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 CA--C 1.49 -1.365 0 CA-C-O 121.182 0.515 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -67.75 165.21 17.79 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.122 -1.611 . . . . 0.0 110.868 166.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 p -67.3 87.67 0.18 Allowed 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 124.592 1.157 . . . . 0.0 112.767 -178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 t -86.99 -20.69 26.87 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.1 1.36 . . . . 0.0 110.506 -172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -61.91 -37.75 85.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.475 -0.765 . . . . 0.0 111.778 167.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 37.4 mtt-85 -83.24 -83.77 0.14 Allowed 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.734 168.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -77.19 85.42 3.65 Favored 'General case' 0 N--CA 1.431 -1.418 0 CA-C-O 123.244 1.497 . . . . 0.0 112.646 178.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -70.11 -16.75 63.16 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 116.212 1.93 . . . . 0.0 116.212 -169.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 mt -80.22 -1.91 42.61 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.688 -1.258 . . . . 0.0 111.969 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.8 t -85.65 -10.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.033 1.333 . . . . 0.0 114.361 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.26 1.655 0 O-C-N 119.58 -1.95 . . . . 0.0 111.128 -178.207 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 CA--C 1.49 -1.336 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -56.33 160.86 2.82 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.633 1.973 . . . . 0.0 113.76 173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -69.88 104.52 2.52 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.594 -1.316 . . . . 0.0 112.371 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.3 t -85.0 -20.4 30.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.257 1.423 . . . . 0.0 110.403 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -58.45 -44.8 89.35 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.76 -1.213 . . . . 0.0 112.484 165.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -87.59 -71.28 0.58 Allowed 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 121.001 -1.062 . . . . 0.0 112.014 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -78.51 85.99 4.56 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 126.661 1.984 . . . . 0.0 111.217 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -70.15 -17.93 63.2 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 116.266 1.951 . . . . 0.0 116.266 -167.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.4 3.02 48.72 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.747 -1.221 . . . . 0.0 112.165 175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.2 t -96.12 14.52 23.62 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.27 -1.519 . . . . 0.0 114.112 -170.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.259 1.58 0 O-C-N 118.416 -2.677 . . . . 0.0 111.451 178.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 p -70.45 167.48 18.19 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 120.869 -1.144 . . . . 0.0 111.714 165.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 p -69.67 111.44 5.46 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.509 1.523 . . . . 0.0 112.391 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.38 -31.3 18.94 Favored 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 124.825 1.25 . . . . 0.0 110.115 -169.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -65.82 -36.47 83.58 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.812 1.245 . . . . 0.0 111.179 175.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -84.0 -75.97 0.31 Allowed 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.512 1.125 . . . . 0.0 111.856 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -82.5 97.09 8.25 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 122.506 1.146 . . . . 0.0 110.677 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -71.45 -27.01 62.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.1 mt -87.23 -2.5 58.67 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.337 -1.477 . . . . 0.0 114.072 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.8 t -71.61 -21.86 61.79 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -164.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 C--O 1.26 1.644 0 O-C-N 120.025 -1.672 . . . . 0.0 114.078 -159.827 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 CA--C 1.49 -1.327 0 CA-C-O 120.401 0.143 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 p -70.45 166.96 19.32 Favored 'General case' 0 N--CA 1.429 -1.506 0 O-C-N 121.097 -1.002 . . . . 0.0 113.085 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 p -67.5 100.13 0.83 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 125.071 1.348 . . . . 0.0 114.424 -174.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.6 t -79.94 -27.08 39.85 Favored 'General case' 0 N--CA 1.429 -1.504 0 C-N-CA 124.531 1.132 . . . . 0.0 111.055 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -65.25 -34.17 77.73 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 121.061 -1.025 . . . . 0.0 113.067 174.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -83.95 -77.63 0.25 Allowed 'General case' 0 N--CA 1.431 -1.417 0 O-C-N 120.828 -1.17 . . . . 0.0 110.179 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.69 93.32 8.41 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.75 -1.219 . . . . 0.0 110.738 -176.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -65.55 -11.07 40.54 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.954 -1.716 . . . . 0.0 115.128 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.81 -0.23 56.68 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.548 1.939 . . . . 0.0 112.035 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.57 -16.17 27.53 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.198 -1.563 . . . . 0.0 113.425 -174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.261 1.664 0 C-N-CA 125.01 1.324 . . . . 0.0 112.062 -153.117 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.7 m . . . . . 0 CA--C 1.489 -1.383 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.73 171.79 14.15 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-O 122.61 1.195 . . . . 0.0 110.607 167.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 p -78.39 104.01 8.7 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -170.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.9 t -87.16 -25.15 24.22 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 124.885 1.274 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -61.47 -35.76 78.55 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.898 -1.126 . . . . 0.0 112.532 167.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -77.87 -93.91 0.03 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.005 0.922 . . . . 0.0 112.499 165.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -82.29 104.21 12.44 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.396 -1.44 . . . . 0.0 112.618 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -64.32 -16.28 61.89 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.05 -14.49 60.2 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 124.683 1.193 . . . . 0.0 112.078 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -94.03 27.54 2.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 120.381 -1.449 . . . . 0.0 113.775 -171.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.259 1.602 0 O-C-N 119.383 -2.073 . . . . 0.0 107.829 171.929 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 CA--C 1.49 -1.334 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -77.81 178.4 7.42 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.04 -1.038 . . . . 0.0 111.22 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 p -70.57 92.06 0.82 Allowed 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 125.347 1.459 . . . . 0.0 112.996 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.6 t -82.3 -21.78 35.96 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.663 -1.273 . . . . 0.0 111.321 -171.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -58.54 -51.68 68.85 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.616 -1.303 . . . . 0.0 111.347 165.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -81.55 -73.19 0.39 Allowed 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 124.35 1.06 . . . . 0.0 113.581 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -86.09 94.1 9.17 Favored 'General case' 0 N--CA 1.43 -1.451 0 CA-C-O 123.8 1.762 . . . . 0.0 110.994 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -72.16 -22.64 61.27 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.796 1.638 . . . . 0.0 114.951 -168.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -84.85 1.95 44.7 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.93 -1.732 . . . . 0.0 113.471 172.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.5 t -84.94 -12.61 52.97 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 119.596 -1.94 . . . . 0.0 113.491 -172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.259 1.597 0 C-N-CA 125.953 1.701 . . . . 0.0 111.914 -161.023 . . . . . . . . 0 0 . 1 stop_ save_