data_2ifi_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 2ifi _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 114.697 0.639 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.3 m -102.3 131.48 48.86 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.328 5.0 p -144.28 -129.69 0.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 123.683 0.793 . . . . 0.0 112.819 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -73.07 122.58 22.03 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.86 -38.15 72.31 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 119.671 3.212 . . . . 0.0 119.671 -166.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.16 -18.7 64.68 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 118.491 2.775 . . . . 0.0 118.491 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -129.91 -63.93 0.89 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 120.32 1.418 . . . . 0.0 112.633 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -69.02 158.81 34.04 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.21 156.12 31.73 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -97.35 -29.57 13.44 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 160.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -79.05 122.73 26.57 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.375 1.443 . . . . 0.0 112.471 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.561 1.398 0 CA-C-O 123.163 1.458 . . . . 0.0 111.136 -178.162 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 114.728 0.651 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.9 m -87.47 72.54 9.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.923 1.344 . . . . 0.0 114.09 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.338 5.9 p -77.28 -104.67 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -86.55 104.79 16.33 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 120.703 1.592 . . . . 0.0 114.023 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -37.74 -54.2 1.23 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -173.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.42 -12.89 24.31 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -133.94 -58.71 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 119.491 1.041 . . . . 0.0 111.202 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.24 161.43 27.22 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 164.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 168.09 11.51 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -125.84 -17.99 5.25 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -108.86 113.47 26.43 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.352 1.887 . . . . 0.0 110.569 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 122.821 1.296 . . . . 0.0 111.111 176.259 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 113.891 0.316 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.54 79.3 9.45 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.628 1.204 . . . . 0.0 113.973 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.317 7.8 p -88.95 -115.34 0.06 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.02 96.75 2.2 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -35.79 -48.78 0.57 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 120.499 3.518 . . . . 0.0 120.499 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.92 -21.84 65.1 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -121.7 -58.39 1.75 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.615 1.098 . . . . 0.0 112.332 173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.87 160.57 31.93 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 172.25 8.16 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -170.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -129.51 -9.64 4.59 Favored 'General case' 0 CA--C 1.582 2.183 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -106.04 67.72 0.75 Allowed 'General case' 0 CA--C 1.577 2.01 0 CA-C-N 120.573 1.533 . . . . 0.0 113.623 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 123.421 1.581 . . . . 0.0 112.857 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.8 124.19 36.62 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 121.304 0.573 . . . . 0.0 112.196 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.301 4.2 p -146.19 -109.86 0.09 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.454 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -74.38 90.11 2.14 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-N 120.646 1.566 . . . . 0.0 114.998 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -26.2 -51.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 121.778 3.992 . . . . 0.0 121.778 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.61 60.2 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 118.564 2.802 . . . . 0.0 118.564 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -125.35 -46.6 1.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.396 1.079 . . . . 0.0 113.906 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.1 t -83.26 160.06 21.82 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 122.384 1.088 . . . . 0.0 112.919 163.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 171.17 7.19 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -128.01 -24.79 3.13 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -89.99 90.26 8.07 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 120.525 1.511 . . . . 0.0 112.028 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m . . . . . 0 CA--C 1.563 1.443 0 CA-C-O 123.098 1.428 . . . . 0.0 109.481 168.342 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 113.844 0.298 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.7 m -84.29 127.91 34.26 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.299 7.0 p -154.05 -119.17 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 123.818 0.847 . . . . 0.0 111.582 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.1 p -70.5 109.94 5.1 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 120.737 1.608 . . . . 0.0 114.799 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.29 -34.49 66.53 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 119.609 3.189 . . . . 0.0 119.609 -162.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.4 63.07 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -126.2 -54.45 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -70.08 157.98 36.55 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 167.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.18 162.01 25.8 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.423 2.008 . . . . 0.0 116.423 -170.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -118.29 -21.59 8.06 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 158.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -87.75 97.45 10.91 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.313 1.415 . . . . 0.0 112.777 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 123.313 1.53 . . . . 0.0 110.288 177.482 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 90.1 m -80.97 115.46 20.46 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.327 5.2 p -139.32 -127.35 0.12 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.411 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.4 111.16 8.26 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 121.366 1.894 . . . . 0.0 115.003 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -42.5 -41.43 2.96 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.67 68.62 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -126.69 -48.11 1.53 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -75.18 165.72 24.76 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 122.388 1.089 . . . . 0.0 113.725 165.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 155.23 35.95 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -103.29 -26.08 13.08 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 158.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -84.96 103.37 13.94 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-N 119.764 1.165 . . . . 0.0 113.102 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.567 1.629 0 CA-C-O 123.248 1.499 . . . . 0.0 109.987 167.412 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 114.65 0.62 . . . . 0.0 114.65 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.9 61.31 2.52 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.278 20.1 p -80.88 -46.67 14.89 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -166.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 8' ' ' CYS . 86.0 p -133.7 177.18 7.91 Favored 'General case' 0 CA--C 1.573 1.849 0 O-C-N 121.243 -0.911 . . . . 0.0 111.947 158.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.04 -66.45 0.89 Allowed 'General case' 0 CA--C 1.568 1.661 0 O-C-N 119.89 -1.756 . . . . 0.0 115.61 -162.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.82 71.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -96.33 -41.76 8.48 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 4' ' ' SER . 42.9 t -73.18 -81.1 0.06 Allowed 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 120.058 1.299 . . . . 0.0 113.628 -175.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.28 160.6 1.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 120.378 1.444 . . . . 0.0 112.069 164.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 p90 -106.34 -29.6 9.66 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 157.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -83.97 119.79 25.33 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.962 1.71 . . . . 0.0 113.269 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 124.324 2.011 . . . . 0.0 113.166 173.16 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.035 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.9 m -95.51 65.38 2.69 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.311 24.4 p -80.68 -78.05 0.18 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.6 p -85.92 169.65 13.08 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.939 1.245 . . . . 0.0 113.651 158.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.46 -75.66 0.24 Allowed 'General case' 0 CA--C 1.571 1.778 0 O-C-N 120.146 -1.596 . . . . 0.0 114.532 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.74 87.84 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -169.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -99.09 -48.28 4.92 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.5 t -67.55 -80.19 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.595 1.543 . . . . 0.0 113.221 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.88 159.62 1.4 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 120.413 1.461 . . . . 0.0 112.185 159.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -103.36 -36.92 7.85 Favored 'General case' 0 CA--C 1.576 1.976 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 153.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.28 115.56 19.0 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.85 1.659 . . . . 0.0 112.924 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 122.75 1.262 . . . . 0.0 110.526 173.19 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.28 72.0 6.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -171.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.371 30.5 p -83.88 -96.69 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.635 -1.291 . . . . 0.0 111.775 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -73.1 176.2 6.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 121.245 1.838 . . . . 0.0 114.321 162.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.9 -77.06 0.36 Allowed 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.942 -1.724 . . . . 0.0 113.967 -171.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.62 84.38 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 -172.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -95.29 -42.31 8.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -76.37 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.213 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.87 154.04 9.03 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 121.209 1.822 . . . . 0.0 113.577 164.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -102.18 -41.66 6.32 Favored 'General case' 0 CA--C 1.577 1.997 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -79.97 124.75 28.97 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 121.011 1.732 . . . . 0.0 112.147 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 m . . . . . 0 CA--C 1.565 1.554 0 CA-C-O 123.133 1.445 . . . . 0.0 110.227 164.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.061 0 N-CA-C 115.233 0.853 . . . . 0.0 115.233 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -84.52 97.12 9.38 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.358 21.8 p -109.26 -83.77 0.55 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.093 173.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -72.7 178.51 4.11 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 121.86 2.118 . . . . 0.0 114.056 151.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.9 -74.33 0.55 Allowed 'General case' 0 CA--C 1.568 1.671 0 O-C-N 119.981 -1.699 . . . . 0.0 112.137 -172.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.15 85.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mmt-85 -91.68 2.85 56.2 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.01 -84.07 0.47 Allowed 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 119.916 1.234 . . . . 0.0 109.324 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.35 152.9 15.03 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 122.895 1.331 . . . . 0.0 112.734 163.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -98.08 -39.7 8.78 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 165.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -82.74 104.2 12.8 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-N 120.165 1.348 . . . . 0.0 112.905 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 123.021 1.391 . . . . 0.0 111.451 170.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.1 m -86.22 86.65 7.35 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.365 24.7 p -95.91 -92.5 0.21 Allowed 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.922 171.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 p -71.14 178.53 3.23 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 121.139 1.79 . . . . 0.0 114.75 158.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -96.3 -66.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.411 -1.431 . . . . 0.0 112.295 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -52.15 59.68 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -101.22 21.58 13.77 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 t -136.58 -96.43 0.22 Allowed 'General case' 0 CA--C 1.562 1.423 0 O-C-N 120.746 -1.221 . . . . 0.0 108.252 169.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.58 156.22 27.63 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 121.339 1.881 . . . . 0.0 113.925 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -104.45 -38.71 6.7 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -82.77 104.94 13.39 Favored 'General case' 0 CA--C 1.569 1.691 0 CA-C-N 120.677 1.581 . . . . 0.0 112.848 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 123.046 1.403 . . . . 0.0 110.272 170.369 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.12 135.46 34.39 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.599 0.76 . . . . 0.0 112.307 172.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.334 1.8 p -142.66 -100.58 0.13 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.581 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.5 p -86.28 46.45 1.34 Allowed 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 119.125 3.009 . . . . 0.0 119.125 -168.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.304 12.5 t70 59.69 -84.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 159.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.98 -48.43 76.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 120.326 -1.484 . . . . 0.0 114.94 168.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -80.19 -59.13 2.83 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.42 89.12 2.91 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.329 1.052 . . . . 0.0 110.371 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.53 169.23 14.61 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 119.13 3.011 . . . . 0.0 119.13 -159.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -66.85 -29.36 69.26 Favored 'General case' 0 CA--C 1.574 1.896 0 N-CA-C 120.101 3.371 . . . . 0.0 120.101 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.31 109.33 14.7 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 121.156 1.798 . . . . 0.0 113.69 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 122.755 1.264 . . . . 0.0 111.289 170.115 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 114.002 0.361 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.2 m -105.68 141.15 37.62 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.776 0.83 . . . . 0.0 112.11 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.354 3.9 p -145.65 -117.09 0.08 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 113.554 -174.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.1 p -76.84 77.13 3.44 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.325 66.2 t0 20.93 -83.35 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 121.206 3.78 . . . . 0.0 121.206 165.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.94 61.32 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 119.532 3.16 . . . . 0.0 119.532 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -111.35 -63.39 1.41 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.117 0.967 . . . . 0.0 111.257 167.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -92.48 102.53 14.99 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.654 1.182 . . . . 0.0 111.69 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.09 153.64 43.4 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -163.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -71.77 -37.79 70.44 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -166.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -78.82 116.19 18.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.747 2.067 . . . . 0.0 112.3 -176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 123.376 1.56 . . . . 0.0 110.238 166.004 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 113.748 0.259 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.26 98.98 6.72 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 123.583 0.753 . . . . 0.0 111.507 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.306 4.2 p -148.11 -97.81 0.08 Allowed 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -165.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -80.06 73.72 6.85 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.307 20.8 t0 7.11 -81.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 121.768 3.988 . . . . 0.0 121.768 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 2.31 3.39 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 119.315 3.08 . . . . 0.0 119.315 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -119.72 -74.76 0.6 Allowed 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 125.155 1.382 . . . . 0.0 108.886 167.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.22 111.71 23.31 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.498 1.119 . . . . 0.0 110.892 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.59 -131.55 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -144.31 -35.98 0.34 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 119.709 -1.869 . . . . 0.0 115.707 -157.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -81.31 98.15 8.01 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 120.956 1.707 . . . . 0.0 112.809 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 108.938 168.455 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.975 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.6 m -120.33 90.08 3.26 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.894 0.854 . . . . 0.0 110.787 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.33 1.7 p -143.9 -122.3 0.09 Allowed 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.39 -170.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -74.03 92.52 2.15 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 121.118 1.781 . . . . 0.0 114.714 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -29.14 -56.09 0.14 Allowed 'General case' 0 N--CA 1.5 2.059 1 N-CA-C 122.961 4.43 . . . . 0.0 122.961 -160.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.76 90.92 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -80.05 -47.26 15.16 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -118.15 138.2 52.45 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.328 1.451 . . . . 0.0 111.707 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -151.74 0.03 OUTLIER 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -167.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -156.51 28.2 0.34 Allowed 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 117.349 2.351 . . . . 0.0 117.349 -163.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -140.06 94.31 2.74 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 119.615 -1.928 . . . . 0.0 110.403 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.591 1.186 . . . . 0.0 111.393 -176.069 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 114.697 0.639 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.3 m -102.3 131.48 48.86 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.328 5.0 p -144.28 -129.69 0.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 123.683 0.793 . . . . 0.0 112.819 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -73.07 122.58 22.03 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.86 -38.15 72.31 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 119.671 3.212 . . . . 0.0 119.671 -166.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.16 -18.7 64.68 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 118.491 2.775 . . . . 0.0 118.491 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -129.91 -63.93 0.89 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 120.32 1.418 . . . . 0.0 112.633 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -69.02 158.81 34.04 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.21 156.12 31.73 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -97.35 -29.57 13.44 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 160.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -79.05 122.73 26.57 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.375 1.443 . . . . 0.0 112.471 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -141.27 135.39 30.58 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 123.163 1.458 . . . . 0.0 111.136 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.957 0 O-C-N 117.287 -3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 114.728 0.651 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.9 m -87.47 72.54 9.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.923 1.344 . . . . 0.0 114.09 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.338 5.9 p -77.28 -104.67 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -86.55 104.79 16.33 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 120.703 1.592 . . . . 0.0 114.023 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -37.74 -54.2 1.23 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -173.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.42 -12.89 24.31 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -133.94 -58.71 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 119.491 1.041 . . . . 0.0 111.202 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.24 161.43 27.22 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 164.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 168.09 11.51 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -125.84 -17.99 5.25 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -108.86 113.47 26.43 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.352 1.887 . . . . 0.0 110.569 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.19 110.4 16.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.821 1.296 . . . . 0.0 111.111 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.908 0 O-C-N 117.699 -3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 113.891 0.316 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.54 79.3 9.45 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.628 1.204 . . . . 0.0 113.973 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.317 7.8 p -88.95 -115.34 0.06 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.02 96.75 2.2 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -35.79 -48.78 0.57 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 120.499 3.518 . . . . 0.0 120.499 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.92 -21.84 65.1 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -121.7 -58.39 1.75 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.615 1.098 . . . . 0.0 112.332 173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.87 160.57 31.93 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 172.25 8.16 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -170.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -129.51 -9.64 4.59 Favored 'General case' 0 CA--C 1.582 2.183 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -106.04 67.72 0.75 Allowed 'General case' 0 CA--C 1.577 2.01 0 CA-C-N 120.573 1.533 . . . . 0.0 113.623 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -100.41 98.2 8.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 123.421 1.581 . . . . 0.0 112.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.072 0 O-C-N 117.16 -3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.8 124.19 36.62 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 121.304 0.573 . . . . 0.0 112.196 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.301 4.2 p -146.19 -109.86 0.09 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.454 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -74.38 90.11 2.14 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-N 120.646 1.566 . . . . 0.0 114.998 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -26.2 -51.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 121.778 3.992 . . . . 0.0 121.778 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.61 60.2 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 118.564 2.802 . . . . 0.0 118.564 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -125.35 -46.6 1.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.396 1.079 . . . . 0.0 113.906 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.1 t -83.26 160.06 21.82 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 122.384 1.088 . . . . 0.0 112.919 163.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 171.17 7.19 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -128.01 -24.79 3.13 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -89.99 90.26 8.07 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 120.525 1.511 . . . . 0.0 112.028 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -118.29 104.84 11.15 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 123.098 1.428 . . . . 0.0 109.481 168.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 117.525 -3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 113.844 0.298 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.7 m -84.29 127.91 34.26 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.299 7.0 p -154.05 -119.17 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 123.818 0.847 . . . . 0.0 111.582 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.1 p -70.5 109.94 5.1 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 120.737 1.608 . . . . 0.0 114.799 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.29 -34.49 66.53 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 119.609 3.189 . . . . 0.0 119.609 -162.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.4 63.07 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -126.2 -54.45 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -70.08 157.98 36.55 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 167.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.18 162.01 25.8 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.423 2.008 . . . . 0.0 116.423 -170.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -118.29 -21.59 8.06 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 158.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -87.75 97.45 10.91 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.313 1.415 . . . . 0.0 112.777 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -129.76 93.98 3.64 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 123.313 1.53 . . . . 0.0 110.288 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.954 0 O-C-N 116.877 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 90.1 m -80.97 115.46 20.46 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.327 5.2 p -139.32 -127.35 0.12 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.411 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.4 111.16 8.26 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 121.366 1.894 . . . . 0.0 115.003 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -42.5 -41.43 2.96 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.67 68.62 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -126.69 -48.11 1.53 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -75.18 165.72 24.76 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 122.388 1.089 . . . . 0.0 113.725 165.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 155.23 35.95 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -103.29 -26.08 13.08 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 158.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -84.96 103.37 13.94 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-N 119.764 1.165 . . . . 0.0 113.102 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m -130.36 135.96 48.6 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 123.248 1.499 . . . . 0.0 109.987 167.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 116.367 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 114.65 0.62 . . . . 0.0 114.65 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.9 61.31 2.52 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.278 20.1 p -80.88 -46.67 14.89 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -166.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' HB3' ' A' ' 8' ' ' CYS . 86.0 p -133.7 177.18 7.91 Favored 'General case' 0 CA--C 1.573 1.849 0 O-C-N 121.243 -0.911 . . . . 0.0 111.947 158.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.04 -66.45 0.89 Allowed 'General case' 0 CA--C 1.568 1.661 0 O-C-N 119.89 -1.756 . . . . 0.0 115.61 -162.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.82 71.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -96.33 -41.76 8.48 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' HB3' ' H ' ' A' ' 4' ' ' SER . 42.9 t -73.18 -81.1 0.06 Allowed 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 120.058 1.299 . . . . 0.0 113.628 -175.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.28 160.6 1.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 120.378 1.444 . . . . 0.0 112.069 164.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 p90 -106.34 -29.6 9.66 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 157.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -83.97 119.79 25.33 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.962 1.71 . . . . 0.0 113.269 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m -135.14 163.24 30.38 Favored 'General case' 0 CA--C 1.568 1.669 0 CA-C-O 124.324 2.011 . . . . 0.0 113.166 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 116.835 -3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.035 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.9 m -95.51 65.38 2.69 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.311 24.4 p -80.68 -78.05 0.18 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.6 p -85.92 169.65 13.08 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.939 1.245 . . . . 0.0 113.651 158.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.46 -75.66 0.24 Allowed 'General case' 0 CA--C 1.571 1.778 0 O-C-N 120.146 -1.596 . . . . 0.0 114.532 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.74 87.84 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -169.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -99.09 -48.28 4.92 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.5 t -67.55 -80.19 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.595 1.543 . . . . 0.0 113.221 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.88 159.62 1.4 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 120.413 1.461 . . . . 0.0 112.185 159.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -103.36 -36.92 7.85 Favored 'General case' 0 CA--C 1.576 1.976 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 153.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.28 115.56 19.0 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.85 1.659 . . . . 0.0 112.924 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.4 m -141.69 107.99 5.26 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.75 1.262 . . . . 0.0 110.526 173.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 O-C-N 116.828 -3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.28 72.0 6.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -171.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.371 30.5 p -83.88 -96.69 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.635 -1.291 . . . . 0.0 111.775 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -73.1 176.2 6.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 121.245 1.838 . . . . 0.0 114.321 162.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.9 -77.06 0.36 Allowed 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.942 -1.724 . . . . 0.0 113.967 -171.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.62 84.38 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 -172.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -95.29 -42.31 8.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -76.37 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.213 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.87 154.04 9.03 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 121.209 1.822 . . . . 0.0 113.577 164.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -102.18 -41.66 6.32 Favored 'General case' 0 CA--C 1.577 1.997 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -79.97 124.75 28.97 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 121.011 1.732 . . . . 0.0 112.147 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 m -134.91 128.02 31.77 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 123.133 1.445 . . . . 0.0 110.227 164.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.822 0 O-C-N 116.817 -3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.061 0 N-CA-C 115.233 0.853 . . . . 0.0 115.233 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -84.52 97.12 9.38 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.358 21.8 p -109.26 -83.77 0.55 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.093 173.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -72.7 178.51 4.11 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 121.86 2.118 . . . . 0.0 114.056 151.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.9 -74.33 0.55 Allowed 'General case' 0 CA--C 1.568 1.671 0 O-C-N 119.981 -1.699 . . . . 0.0 112.137 -172.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.15 85.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mmt-85 -91.68 2.85 56.2 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.01 -84.07 0.47 Allowed 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 119.916 1.234 . . . . 0.0 109.324 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.35 152.9 15.03 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 122.895 1.331 . . . . 0.0 112.734 163.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -98.08 -39.7 8.78 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 165.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -82.74 104.2 12.8 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-N 120.165 1.348 . . . . 0.0 112.905 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -142.64 139.52 31.27 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 123.021 1.391 . . . . 0.0 111.451 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 117.079 -3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.1 m -86.22 86.65 7.35 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.365 24.7 p -95.91 -92.5 0.21 Allowed 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.922 171.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 p -71.14 178.53 3.23 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 121.139 1.79 . . . . 0.0 114.75 158.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -96.3 -66.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.411 -1.431 . . . . 0.0 112.295 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -52.15 59.68 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -101.22 21.58 13.77 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 t -136.58 -96.43 0.22 Allowed 'General case' 0 CA--C 1.562 1.423 0 O-C-N 120.746 -1.221 . . . . 0.0 108.252 169.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.58 156.22 27.63 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 121.339 1.881 . . . . 0.0 113.925 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -104.45 -38.71 6.7 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -82.77 104.94 13.39 Favored 'General case' 0 CA--C 1.569 1.691 0 CA-C-N 120.677 1.581 . . . . 0.0 112.848 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -140.52 110.82 6.66 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 123.046 1.403 . . . . 0.0 110.272 170.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 O-C-N 117.324 -3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.12 135.46 34.39 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.599 0.76 . . . . 0.0 112.307 172.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.334 1.8 p -142.66 -100.58 0.13 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.581 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.5 p -86.28 46.45 1.34 Allowed 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 119.125 3.009 . . . . 0.0 119.125 -168.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.304 12.5 t70 59.69 -84.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 159.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.98 -48.43 76.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 120.326 -1.484 . . . . 0.0 114.94 168.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -80.19 -59.13 2.83 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.42 89.12 2.91 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.329 1.052 . . . . 0.0 110.371 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.53 169.23 14.61 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 119.13 3.011 . . . . 0.0 119.13 -159.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -66.85 -29.36 69.26 Favored 'General case' 0 CA--C 1.574 1.896 0 N-CA-C 120.101 3.371 . . . . 0.0 120.101 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.31 109.33 14.7 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 121.156 1.798 . . . . 0.0 113.69 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -127.08 94.36 4.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.755 1.264 . . . . 0.0 111.289 170.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 O-C-N 117.575 -3.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 114.002 0.361 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.2 m -105.68 141.15 37.62 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.776 0.83 . . . . 0.0 112.11 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.354 3.9 p -145.65 -117.09 0.08 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 113.554 -174.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.1 p -76.84 77.13 3.44 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.325 66.2 t0 20.93 -83.35 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 121.206 3.78 . . . . 0.0 121.206 165.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.94 61.32 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 119.532 3.16 . . . . 0.0 119.532 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -111.35 -63.39 1.41 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.117 0.967 . . . . 0.0 111.257 167.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -92.48 102.53 14.99 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.654 1.182 . . . . 0.0 111.69 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.09 153.64 43.4 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -163.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -71.77 -37.79 70.44 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -166.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -78.82 116.19 18.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.747 2.067 . . . . 0.0 112.3 -176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 m -121.64 84.18 2.21 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 123.376 1.56 . . . . 0.0 110.238 166.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 118.014 -2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 113.748 0.259 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.26 98.98 6.72 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 123.583 0.753 . . . . 0.0 111.507 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.306 4.2 p -148.11 -97.81 0.08 Allowed 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -165.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -80.06 73.72 6.85 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.307 20.8 t0 7.11 -81.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 121.768 3.988 . . . . 0.0 121.768 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 2.31 3.39 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 119.315 3.08 . . . . 0.0 119.315 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -119.72 -74.76 0.6 Allowed 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 125.155 1.382 . . . . 0.0 108.886 167.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.22 111.71 23.31 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.498 1.119 . . . . 0.0 110.892 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.59 -131.55 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -144.31 -35.98 0.34 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 119.709 -1.869 . . . . 0.0 115.707 -157.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -81.31 98.15 8.01 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 120.956 1.707 . . . . 0.0 112.809 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -126.18 112.92 16.34 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 108.938 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.856 0 O-C-N 117.639 -3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.975 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.6 m -120.33 90.08 3.26 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.894 0.854 . . . . 0.0 110.787 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.33 1.7 p -143.9 -122.3 0.09 Allowed 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.39 -170.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -74.03 92.52 2.15 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 121.118 1.781 . . . . 0.0 114.714 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -29.14 -56.09 0.14 Allowed 'General case' 0 N--CA 1.5 2.059 1 N-CA-C 122.961 4.43 . . . . 0.0 122.961 -160.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.76 90.92 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -80.05 -47.26 15.16 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -118.15 138.2 52.45 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.328 1.451 . . . . 0.0 111.707 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -151.74 0.03 OUTLIER 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -167.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -156.51 28.2 0.34 Allowed 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 117.349 2.351 . . . . 0.0 117.349 -163.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -140.06 94.31 2.74 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 119.615 -1.928 . . . . 0.0 110.403 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.6 m -126.89 108.8 11.32 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.591 1.186 . . . . 0.0 111.393 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 O-C-N 117.506 -3.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 114.697 0.639 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.3 m -102.3 131.48 48.86 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.328 5.0 p -144.28 -129.69 0.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 123.683 0.793 . . . . 0.0 112.819 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -73.07 122.58 22.03 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.86 -38.15 72.31 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 119.671 3.212 . . . . 0.0 119.671 -166.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.16 -18.7 64.68 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 118.491 2.775 . . . . 0.0 118.491 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -129.91 -63.93 0.89 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 120.32 1.418 . . . . 0.0 112.633 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -69.02 158.81 34.04 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.21 156.12 31.73 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -97.35 -29.57 13.44 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 160.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -79.05 122.73 26.57 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.375 1.443 . . . . 0.0 112.471 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.561 1.398 0 CA-C-O 123.163 1.458 . . . . 0.0 111.136 -178.162 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 114.728 0.651 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.9 m -87.47 72.54 9.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.923 1.344 . . . . 0.0 114.09 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.338 5.9 p -77.28 -104.67 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -86.55 104.79 16.33 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 120.703 1.592 . . . . 0.0 114.023 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -37.74 -54.2 1.23 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -173.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.42 -12.89 24.31 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -133.94 -58.71 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 119.491 1.041 . . . . 0.0 111.202 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.24 161.43 27.22 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 164.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 168.09 11.51 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -125.84 -17.99 5.25 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -108.86 113.47 26.43 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.352 1.887 . . . . 0.0 110.569 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 122.821 1.296 . . . . 0.0 111.111 176.259 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 113.891 0.316 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.54 79.3 9.45 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.628 1.204 . . . . 0.0 113.973 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.317 7.8 p -88.95 -115.34 0.06 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.02 96.75 2.2 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -35.79 -48.78 0.57 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 120.499 3.518 . . . . 0.0 120.499 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.92 -21.84 65.1 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -121.7 -58.39 1.75 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.615 1.098 . . . . 0.0 112.332 173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.87 160.57 31.93 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 172.25 8.16 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -170.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -129.51 -9.64 4.59 Favored 'General case' 0 CA--C 1.582 2.183 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -106.04 67.72 0.75 Allowed 'General case' 0 CA--C 1.577 2.01 0 CA-C-N 120.573 1.533 . . . . 0.0 113.623 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 123.421 1.581 . . . . 0.0 112.857 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.8 124.19 36.62 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 121.304 0.573 . . . . 0.0 112.196 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.301 4.2 p -146.19 -109.86 0.09 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.454 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -74.38 90.11 2.14 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-N 120.646 1.566 . . . . 0.0 114.998 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -26.2 -51.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 121.778 3.992 . . . . 0.0 121.778 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.61 60.2 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 118.564 2.802 . . . . 0.0 118.564 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -125.35 -46.6 1.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.396 1.079 . . . . 0.0 113.906 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.1 t -83.26 160.06 21.82 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 122.384 1.088 . . . . 0.0 112.919 163.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 171.17 7.19 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -128.01 -24.79 3.13 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -89.99 90.26 8.07 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 120.525 1.511 . . . . 0.0 112.028 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m . . . . . 0 CA--C 1.563 1.443 0 CA-C-O 123.098 1.428 . . . . 0.0 109.481 168.342 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 113.844 0.298 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.7 m -84.29 127.91 34.26 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.299 7.0 p -154.05 -119.17 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 123.818 0.847 . . . . 0.0 111.582 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.1 p -70.5 109.94 5.1 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 120.737 1.608 . . . . 0.0 114.799 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.29 -34.49 66.53 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 119.609 3.189 . . . . 0.0 119.609 -162.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.4 63.07 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -126.2 -54.45 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -70.08 157.98 36.55 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 167.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.18 162.01 25.8 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.423 2.008 . . . . 0.0 116.423 -170.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -118.29 -21.59 8.06 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 158.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -87.75 97.45 10.91 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.313 1.415 . . . . 0.0 112.777 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 123.313 1.53 . . . . 0.0 110.288 177.482 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 90.1 m -80.97 115.46 20.46 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.327 5.2 p -139.32 -127.35 0.12 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.411 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.4 111.16 8.26 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 121.366 1.894 . . . . 0.0 115.003 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -42.5 -41.43 2.96 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.67 68.62 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -126.69 -48.11 1.53 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -75.18 165.72 24.76 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 122.388 1.089 . . . . 0.0 113.725 165.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 155.23 35.95 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -103.29 -26.08 13.08 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 158.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -84.96 103.37 13.94 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-N 119.764 1.165 . . . . 0.0 113.102 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.567 1.629 0 CA-C-O 123.248 1.499 . . . . 0.0 109.987 167.412 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 114.65 0.62 . . . . 0.0 114.65 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.9 61.31 2.52 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.278 20.1 p -80.88 -46.67 14.89 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -166.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 8' ' ' CYS . 86.0 p -133.7 177.18 7.91 Favored 'General case' 0 CA--C 1.573 1.849 0 O-C-N 121.243 -0.911 . . . . 0.0 111.947 158.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.04 -66.45 0.89 Allowed 'General case' 0 CA--C 1.568 1.661 0 O-C-N 119.89 -1.756 . . . . 0.0 115.61 -162.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.82 71.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -96.33 -41.76 8.48 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' ' H ' ' A' ' 4' ' ' SER . 42.9 t -73.18 -81.1 0.06 Allowed 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 120.058 1.299 . . . . 0.0 113.628 -175.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.28 160.6 1.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 120.378 1.444 . . . . 0.0 112.069 164.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 p90 -106.34 -29.6 9.66 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 157.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -83.97 119.79 25.33 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.962 1.71 . . . . 0.0 113.269 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 124.324 2.011 . . . . 0.0 113.166 173.16 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.035 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.9 m -95.51 65.38 2.69 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.311 24.4 p -80.68 -78.05 0.18 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.6 p -85.92 169.65 13.08 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.939 1.245 . . . . 0.0 113.651 158.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.46 -75.66 0.24 Allowed 'General case' 0 CA--C 1.571 1.778 0 O-C-N 120.146 -1.596 . . . . 0.0 114.532 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.74 87.84 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -169.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -99.09 -48.28 4.92 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.5 t -67.55 -80.19 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.595 1.543 . . . . 0.0 113.221 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.88 159.62 1.4 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 120.413 1.461 . . . . 0.0 112.185 159.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -103.36 -36.92 7.85 Favored 'General case' 0 CA--C 1.576 1.976 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 153.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.28 115.56 19.0 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.85 1.659 . . . . 0.0 112.924 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 122.75 1.262 . . . . 0.0 110.526 173.19 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.28 72.0 6.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -171.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.371 30.5 p -83.88 -96.69 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.635 -1.291 . . . . 0.0 111.775 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -73.1 176.2 6.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 121.245 1.838 . . . . 0.0 114.321 162.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.9 -77.06 0.36 Allowed 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.942 -1.724 . . . . 0.0 113.967 -171.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.62 84.38 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 -172.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -95.29 -42.31 8.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -76.37 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.213 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.87 154.04 9.03 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 121.209 1.822 . . . . 0.0 113.577 164.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -102.18 -41.66 6.32 Favored 'General case' 0 CA--C 1.577 1.997 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -79.97 124.75 28.97 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 121.011 1.732 . . . . 0.0 112.147 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 m . . . . . 0 CA--C 1.565 1.554 0 CA-C-O 123.133 1.445 . . . . 0.0 110.227 164.731 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.061 0 N-CA-C 115.233 0.853 . . . . 0.0 115.233 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -84.52 97.12 9.38 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.358 21.8 p -109.26 -83.77 0.55 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.093 173.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -72.7 178.51 4.11 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 121.86 2.118 . . . . 0.0 114.056 151.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.9 -74.33 0.55 Allowed 'General case' 0 CA--C 1.568 1.671 0 O-C-N 119.981 -1.699 . . . . 0.0 112.137 -172.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.15 85.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mmt-85 -91.68 2.85 56.2 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.01 -84.07 0.47 Allowed 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 119.916 1.234 . . . . 0.0 109.324 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.35 152.9 15.03 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 122.895 1.331 . . . . 0.0 112.734 163.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -98.08 -39.7 8.78 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 165.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -82.74 104.2 12.8 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-N 120.165 1.348 . . . . 0.0 112.905 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 123.021 1.391 . . . . 0.0 111.451 170.802 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.1 m -86.22 86.65 7.35 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.365 24.7 p -95.91 -92.5 0.21 Allowed 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.922 171.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 p -71.14 178.53 3.23 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 121.139 1.79 . . . . 0.0 114.75 158.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -96.3 -66.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.411 -1.431 . . . . 0.0 112.295 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -52.15 59.68 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -101.22 21.58 13.77 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 t -136.58 -96.43 0.22 Allowed 'General case' 0 CA--C 1.562 1.423 0 O-C-N 120.746 -1.221 . . . . 0.0 108.252 169.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.58 156.22 27.63 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 121.339 1.881 . . . . 0.0 113.925 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -104.45 -38.71 6.7 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -82.77 104.94 13.39 Favored 'General case' 0 CA--C 1.569 1.691 0 CA-C-N 120.677 1.581 . . . . 0.0 112.848 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 123.046 1.403 . . . . 0.0 110.272 170.369 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.12 135.46 34.39 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.599 0.76 . . . . 0.0 112.307 172.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.334 1.8 p -142.66 -100.58 0.13 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.581 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.5 p -86.28 46.45 1.34 Allowed 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 119.125 3.009 . . . . 0.0 119.125 -168.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.304 12.5 t70 59.69 -84.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 159.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.98 -48.43 76.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 120.326 -1.484 . . . . 0.0 114.94 168.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -80.19 -59.13 2.83 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.42 89.12 2.91 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.329 1.052 . . . . 0.0 110.371 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.53 169.23 14.61 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 119.13 3.011 . . . . 0.0 119.13 -159.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -66.85 -29.36 69.26 Favored 'General case' 0 CA--C 1.574 1.896 0 N-CA-C 120.101 3.371 . . . . 0.0 120.101 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.31 109.33 14.7 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 121.156 1.798 . . . . 0.0 113.69 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 122.755 1.264 . . . . 0.0 111.289 170.115 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 114.002 0.361 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.2 m -105.68 141.15 37.62 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.776 0.83 . . . . 0.0 112.11 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.354 3.9 p -145.65 -117.09 0.08 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 113.554 -174.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.1 p -76.84 77.13 3.44 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.325 66.2 t0 20.93 -83.35 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 121.206 3.78 . . . . 0.0 121.206 165.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.94 61.32 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 119.532 3.16 . . . . 0.0 119.532 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -111.35 -63.39 1.41 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.117 0.967 . . . . 0.0 111.257 167.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -92.48 102.53 14.99 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.654 1.182 . . . . 0.0 111.69 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.09 153.64 43.4 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -163.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -71.77 -37.79 70.44 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -166.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -78.82 116.19 18.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.747 2.067 . . . . 0.0 112.3 -176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 123.376 1.56 . . . . 0.0 110.238 166.004 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 113.748 0.259 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.26 98.98 6.72 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 123.583 0.753 . . . . 0.0 111.507 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.306 4.2 p -148.11 -97.81 0.08 Allowed 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -165.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -80.06 73.72 6.85 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.307 20.8 t0 7.11 -81.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 121.768 3.988 . . . . 0.0 121.768 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 2.31 3.39 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 119.315 3.08 . . . . 0.0 119.315 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -119.72 -74.76 0.6 Allowed 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 125.155 1.382 . . . . 0.0 108.886 167.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.22 111.71 23.31 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.498 1.119 . . . . 0.0 110.892 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.59 -131.55 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -144.31 -35.98 0.34 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 119.709 -1.869 . . . . 0.0 115.707 -157.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -81.31 98.15 8.01 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 120.956 1.707 . . . . 0.0 112.809 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 108.938 168.455 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.975 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.6 m -120.33 90.08 3.26 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.894 0.854 . . . . 0.0 110.787 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.33 1.7 p -143.9 -122.3 0.09 Allowed 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.39 -170.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -74.03 92.52 2.15 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 121.118 1.781 . . . . 0.0 114.714 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -29.14 -56.09 0.14 Allowed 'General case' 0 N--CA 1.5 2.059 1 N-CA-C 122.961 4.43 . . . . 0.0 122.961 -160.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.76 90.92 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -80.05 -47.26 15.16 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -118.15 138.2 52.45 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.328 1.451 . . . . 0.0 111.707 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -151.74 0.03 OUTLIER 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -167.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -156.51 28.2 0.34 Allowed 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 117.349 2.351 . . . . 0.0 117.349 -163.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -140.06 94.31 2.74 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 119.615 -1.928 . . . . 0.0 110.403 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.591 1.186 . . . . 0.0 111.393 -176.069 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 114.697 0.639 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.3 m -102.3 131.48 48.86 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.328 5.0 p -144.28 -129.69 0.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 123.683 0.793 . . . . 0.0 112.819 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -73.07 122.58 22.03 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.86 -38.15 72.31 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 119.671 3.212 . . . . 0.0 119.671 -166.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.16 -18.7 64.68 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 118.491 2.775 . . . . 0.0 118.491 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -129.91 -63.93 0.89 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 120.32 1.418 . . . . 0.0 112.633 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -69.02 158.81 34.04 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.21 156.12 31.73 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -97.35 -29.57 13.44 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 160.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -79.05 122.73 26.57 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.375 1.443 . . . . 0.0 112.471 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -141.27 135.39 30.58 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 123.163 1.458 . . . . 0.0 111.136 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.957 0 O-C-N 117.287 -3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 114.728 0.651 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.9 m -87.47 72.54 9.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.923 1.344 . . . . 0.0 114.09 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.338 5.9 p -77.28 -104.67 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -86.55 104.79 16.33 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 120.703 1.592 . . . . 0.0 114.023 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -37.74 -54.2 1.23 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -173.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.42 -12.89 24.31 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -133.94 -58.71 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 119.491 1.041 . . . . 0.0 111.202 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.24 161.43 27.22 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 164.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 168.09 11.51 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -125.84 -17.99 5.25 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -108.86 113.47 26.43 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.352 1.887 . . . . 0.0 110.569 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.19 110.4 16.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.821 1.296 . . . . 0.0 111.111 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.908 0 O-C-N 117.699 -3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 113.891 0.316 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.54 79.3 9.45 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.628 1.204 . . . . 0.0 113.973 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.317 7.8 p -88.95 -115.34 0.06 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.02 96.75 2.2 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -35.79 -48.78 0.57 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 120.499 3.518 . . . . 0.0 120.499 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.92 -21.84 65.1 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -121.7 -58.39 1.75 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.615 1.098 . . . . 0.0 112.332 173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.87 160.57 31.93 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 172.25 8.16 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -170.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -129.51 -9.64 4.59 Favored 'General case' 0 CA--C 1.582 2.183 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -106.04 67.72 0.75 Allowed 'General case' 0 CA--C 1.577 2.01 0 CA-C-N 120.573 1.533 . . . . 0.0 113.623 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -100.41 98.2 8.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 123.421 1.581 . . . . 0.0 112.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.072 0 O-C-N 117.16 -3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.8 124.19 36.62 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 121.304 0.573 . . . . 0.0 112.196 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.301 4.2 p -146.19 -109.86 0.09 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.454 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -74.38 90.11 2.14 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-N 120.646 1.566 . . . . 0.0 114.998 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -26.2 -51.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 121.778 3.992 . . . . 0.0 121.778 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.61 60.2 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 118.564 2.802 . . . . 0.0 118.564 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -125.35 -46.6 1.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.396 1.079 . . . . 0.0 113.906 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.1 t -83.26 160.06 21.82 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 122.384 1.088 . . . . 0.0 112.919 163.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 171.17 7.19 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -128.01 -24.79 3.13 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -89.99 90.26 8.07 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 120.525 1.511 . . . . 0.0 112.028 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -118.29 104.84 11.15 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 123.098 1.428 . . . . 0.0 109.481 168.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 117.525 -3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 113.844 0.298 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.7 m -84.29 127.91 34.26 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.299 7.0 p -154.05 -119.17 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 123.818 0.847 . . . . 0.0 111.582 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.1 p -70.5 109.94 5.1 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 120.737 1.608 . . . . 0.0 114.799 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.29 -34.49 66.53 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 119.609 3.189 . . . . 0.0 119.609 -162.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.4 63.07 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -126.2 -54.45 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -70.08 157.98 36.55 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 167.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.18 162.01 25.8 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.423 2.008 . . . . 0.0 116.423 -170.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -118.29 -21.59 8.06 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 158.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -87.75 97.45 10.91 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.313 1.415 . . . . 0.0 112.777 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -129.76 93.98 3.64 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 123.313 1.53 . . . . 0.0 110.288 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.954 0 O-C-N 116.877 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 90.1 m -80.97 115.46 20.46 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.327 5.2 p -139.32 -127.35 0.12 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.411 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.4 111.16 8.26 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 121.366 1.894 . . . . 0.0 115.003 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -42.5 -41.43 2.96 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.67 68.62 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -126.69 -48.11 1.53 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -75.18 165.72 24.76 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 122.388 1.089 . . . . 0.0 113.725 165.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 155.23 35.95 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -103.29 -26.08 13.08 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 158.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -84.96 103.37 13.94 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-N 119.764 1.165 . . . . 0.0 113.102 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m -130.36 135.96 48.6 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 123.248 1.499 . . . . 0.0 109.987 167.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 116.367 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 114.65 0.62 . . . . 0.0 114.65 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.9 61.31 2.52 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.278 20.1 p -80.88 -46.67 14.89 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -166.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 8' ' ' CYS . 86.0 p -133.7 177.18 7.91 Favored 'General case' 0 CA--C 1.573 1.849 0 O-C-N 121.243 -0.911 . . . . 0.0 111.947 158.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.04 -66.45 0.89 Allowed 'General case' 0 CA--C 1.568 1.661 0 O-C-N 119.89 -1.756 . . . . 0.0 115.61 -162.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.82 71.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -96.33 -41.76 8.48 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' ' H ' ' A' ' 4' ' ' SER . 42.9 t -73.18 -81.1 0.06 Allowed 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 120.058 1.299 . . . . 0.0 113.628 -175.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.28 160.6 1.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 120.378 1.444 . . . . 0.0 112.069 164.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 p90 -106.34 -29.6 9.66 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 157.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -83.97 119.79 25.33 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.962 1.71 . . . . 0.0 113.269 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m -135.14 163.24 30.38 Favored 'General case' 0 CA--C 1.568 1.669 0 CA-C-O 124.324 2.011 . . . . 0.0 113.166 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 116.835 -3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.035 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.9 m -95.51 65.38 2.69 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.311 24.4 p -80.68 -78.05 0.18 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.6 p -85.92 169.65 13.08 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.939 1.245 . . . . 0.0 113.651 158.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.46 -75.66 0.24 Allowed 'General case' 0 CA--C 1.571 1.778 0 O-C-N 120.146 -1.596 . . . . 0.0 114.532 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.74 87.84 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -169.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -99.09 -48.28 4.92 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.5 t -67.55 -80.19 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.595 1.543 . . . . 0.0 113.221 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.88 159.62 1.4 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 120.413 1.461 . . . . 0.0 112.185 159.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -103.36 -36.92 7.85 Favored 'General case' 0 CA--C 1.576 1.976 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 153.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.28 115.56 19.0 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.85 1.659 . . . . 0.0 112.924 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.4 m -141.69 107.99 5.26 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.75 1.262 . . . . 0.0 110.526 173.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 O-C-N 116.828 -3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.28 72.0 6.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -171.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.371 30.5 p -83.88 -96.69 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.635 -1.291 . . . . 0.0 111.775 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -73.1 176.2 6.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 121.245 1.838 . . . . 0.0 114.321 162.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.9 -77.06 0.36 Allowed 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.942 -1.724 . . . . 0.0 113.967 -171.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.62 84.38 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 -172.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -95.29 -42.31 8.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -76.37 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.213 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.87 154.04 9.03 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 121.209 1.822 . . . . 0.0 113.577 164.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -102.18 -41.66 6.32 Favored 'General case' 0 CA--C 1.577 1.997 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -79.97 124.75 28.97 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 121.011 1.732 . . . . 0.0 112.147 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 m -134.91 128.02 31.77 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 123.133 1.445 . . . . 0.0 110.227 164.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.822 0 O-C-N 116.817 -3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.061 0 N-CA-C 115.233 0.853 . . . . 0.0 115.233 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -84.52 97.12 9.38 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.358 21.8 p -109.26 -83.77 0.55 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.093 173.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -72.7 178.51 4.11 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 121.86 2.118 . . . . 0.0 114.056 151.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.9 -74.33 0.55 Allowed 'General case' 0 CA--C 1.568 1.671 0 O-C-N 119.981 -1.699 . . . . 0.0 112.137 -172.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.15 85.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mmt-85 -91.68 2.85 56.2 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.01 -84.07 0.47 Allowed 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 119.916 1.234 . . . . 0.0 109.324 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.35 152.9 15.03 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 122.895 1.331 . . . . 0.0 112.734 163.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -98.08 -39.7 8.78 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 165.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -82.74 104.2 12.8 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-N 120.165 1.348 . . . . 0.0 112.905 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -142.64 139.52 31.27 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 123.021 1.391 . . . . 0.0 111.451 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 117.079 -3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.1 m -86.22 86.65 7.35 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.365 24.7 p -95.91 -92.5 0.21 Allowed 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.922 171.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 p -71.14 178.53 3.23 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 121.139 1.79 . . . . 0.0 114.75 158.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -96.3 -66.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.411 -1.431 . . . . 0.0 112.295 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -52.15 59.68 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -101.22 21.58 13.77 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 t -136.58 -96.43 0.22 Allowed 'General case' 0 CA--C 1.562 1.423 0 O-C-N 120.746 -1.221 . . . . 0.0 108.252 169.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.58 156.22 27.63 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 121.339 1.881 . . . . 0.0 113.925 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -104.45 -38.71 6.7 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -82.77 104.94 13.39 Favored 'General case' 0 CA--C 1.569 1.691 0 CA-C-N 120.677 1.581 . . . . 0.0 112.848 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -140.52 110.82 6.66 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 123.046 1.403 . . . . 0.0 110.272 170.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 O-C-N 117.324 -3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.12 135.46 34.39 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.599 0.76 . . . . 0.0 112.307 172.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.334 1.8 p -142.66 -100.58 0.13 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.581 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.5 p -86.28 46.45 1.34 Allowed 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 119.125 3.009 . . . . 0.0 119.125 -168.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.304 12.5 t70 59.69 -84.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 159.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.98 -48.43 76.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 120.326 -1.484 . . . . 0.0 114.94 168.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -80.19 -59.13 2.83 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.42 89.12 2.91 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.329 1.052 . . . . 0.0 110.371 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.53 169.23 14.61 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 119.13 3.011 . . . . 0.0 119.13 -159.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -66.85 -29.36 69.26 Favored 'General case' 0 CA--C 1.574 1.896 0 N-CA-C 120.101 3.371 . . . . 0.0 120.101 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.31 109.33 14.7 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 121.156 1.798 . . . . 0.0 113.69 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -127.08 94.36 4.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.755 1.264 . . . . 0.0 111.289 170.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 O-C-N 117.575 -3.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 114.002 0.361 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.2 m -105.68 141.15 37.62 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.776 0.83 . . . . 0.0 112.11 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.354 3.9 p -145.65 -117.09 0.08 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 113.554 -174.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.1 p -76.84 77.13 3.44 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.325 66.2 t0 20.93 -83.35 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 121.206 3.78 . . . . 0.0 121.206 165.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.94 61.32 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 119.532 3.16 . . . . 0.0 119.532 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -111.35 -63.39 1.41 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.117 0.967 . . . . 0.0 111.257 167.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -92.48 102.53 14.99 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.654 1.182 . . . . 0.0 111.69 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.09 153.64 43.4 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -163.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -71.77 -37.79 70.44 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -166.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -78.82 116.19 18.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.747 2.067 . . . . 0.0 112.3 -176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 m -121.64 84.18 2.21 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 123.376 1.56 . . . . 0.0 110.238 166.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 118.014 -2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 113.748 0.259 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.26 98.98 6.72 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 123.583 0.753 . . . . 0.0 111.507 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.306 4.2 p -148.11 -97.81 0.08 Allowed 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -165.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -80.06 73.72 6.85 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.307 20.8 t0 7.11 -81.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 121.768 3.988 . . . . 0.0 121.768 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 2.31 3.39 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 119.315 3.08 . . . . 0.0 119.315 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -119.72 -74.76 0.6 Allowed 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 125.155 1.382 . . . . 0.0 108.886 167.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.22 111.71 23.31 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.498 1.119 . . . . 0.0 110.892 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.59 -131.55 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -144.31 -35.98 0.34 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 119.709 -1.869 . . . . 0.0 115.707 -157.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -81.31 98.15 8.01 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 120.956 1.707 . . . . 0.0 112.809 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -126.18 112.92 16.34 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 108.938 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.856 0 O-C-N 117.639 -3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.975 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.6 m -120.33 90.08 3.26 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.894 0.854 . . . . 0.0 110.787 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.33 1.7 p -143.9 -122.3 0.09 Allowed 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.39 -170.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -74.03 92.52 2.15 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 121.118 1.781 . . . . 0.0 114.714 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -29.14 -56.09 0.14 Allowed 'General case' 0 N--CA 1.5 2.059 1 N-CA-C 122.961 4.43 . . . . 0.0 122.961 -160.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.76 90.92 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -80.05 -47.26 15.16 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -118.15 138.2 52.45 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.328 1.451 . . . . 0.0 111.707 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -151.74 0.03 OUTLIER 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -167.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -156.51 28.2 0.34 Allowed 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 117.349 2.351 . . . . 0.0 117.349 -163.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -140.06 94.31 2.74 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 119.615 -1.928 . . . . 0.0 110.403 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.6 m -126.89 108.8 11.32 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.591 1.186 . . . . 0.0 111.393 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 O-C-N 117.506 -3.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 114.697 0.639 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.3 m -102.3 131.48 48.86 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.328 5.0 p -144.28 -129.69 0.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 123.683 0.793 . . . . 0.0 112.819 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -73.07 122.58 22.03 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.86 -38.15 72.31 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 119.671 3.212 . . . . 0.0 119.671 -166.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.16 -18.7 64.68 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 118.491 2.775 . . . . 0.0 118.491 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -129.91 -63.93 0.89 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 120.32 1.418 . . . . 0.0 112.633 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -69.02 158.81 34.04 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.21 156.12 31.73 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -97.35 -29.57 13.44 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 160.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -79.05 122.73 26.57 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.375 1.443 . . . . 0.0 112.471 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m . . . . . 0 CA--C 1.561 1.398 0 CA-C-O 123.163 1.458 . . . . 0.0 111.136 -178.162 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 114.728 0.651 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.9 m -87.47 72.54 9.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.923 1.344 . . . . 0.0 114.09 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.338 5.9 p -77.28 -104.67 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -86.55 104.79 16.33 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 120.703 1.592 . . . . 0.0 114.023 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -37.74 -54.2 1.23 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -173.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.42 -12.89 24.31 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -133.94 -58.71 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 119.491 1.041 . . . . 0.0 111.202 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.24 161.43 27.22 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 164.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 168.09 11.51 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -125.84 -17.99 5.25 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -108.86 113.47 26.43 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.352 1.887 . . . . 0.0 110.569 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.2 m . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 122.821 1.296 . . . . 0.0 111.111 176.259 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 113.891 0.316 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.54 79.3 9.45 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.628 1.204 . . . . 0.0 113.973 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.317 7.8 p -88.95 -115.34 0.06 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.02 96.75 2.2 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -35.79 -48.78 0.57 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 120.499 3.518 . . . . 0.0 120.499 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.92 -21.84 65.1 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -121.7 -58.39 1.75 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.615 1.098 . . . . 0.0 112.332 173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.87 160.57 31.93 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 172.25 8.16 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -170.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -129.51 -9.64 4.59 Favored 'General case' 0 CA--C 1.582 2.183 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -106.04 67.72 0.75 Allowed 'General case' 0 CA--C 1.577 2.01 0 CA-C-N 120.573 1.533 . . . . 0.0 113.623 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 123.421 1.581 . . . . 0.0 112.857 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.8 124.19 36.62 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 121.304 0.573 . . . . 0.0 112.196 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.301 4.2 p -146.19 -109.86 0.09 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.454 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -74.38 90.11 2.14 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-N 120.646 1.566 . . . . 0.0 114.998 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -26.2 -51.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 121.778 3.992 . . . . 0.0 121.778 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.61 60.2 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 118.564 2.802 . . . . 0.0 118.564 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -125.35 -46.6 1.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.396 1.079 . . . . 0.0 113.906 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.1 t -83.26 160.06 21.82 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 122.384 1.088 . . . . 0.0 112.919 163.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 171.17 7.19 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -128.01 -24.79 3.13 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -89.99 90.26 8.07 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 120.525 1.511 . . . . 0.0 112.028 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m . . . . . 0 CA--C 1.563 1.443 0 CA-C-O 123.098 1.428 . . . . 0.0 109.481 168.342 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 113.844 0.298 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.7 m -84.29 127.91 34.26 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.299 7.0 p -154.05 -119.17 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 123.818 0.847 . . . . 0.0 111.582 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.1 p -70.5 109.94 5.1 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 120.737 1.608 . . . . 0.0 114.799 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.29 -34.49 66.53 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 119.609 3.189 . . . . 0.0 119.609 -162.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.4 63.07 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -126.2 -54.45 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -70.08 157.98 36.55 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 167.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.18 162.01 25.8 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.423 2.008 . . . . 0.0 116.423 -170.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -118.29 -21.59 8.06 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 158.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -87.75 97.45 10.91 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.313 1.415 . . . . 0.0 112.777 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 123.313 1.53 . . . . 0.0 110.288 177.482 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 90.1 m -80.97 115.46 20.46 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.327 5.2 p -139.32 -127.35 0.12 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.411 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.4 111.16 8.26 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 121.366 1.894 . . . . 0.0 115.003 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -42.5 -41.43 2.96 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.67 68.62 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -126.69 -48.11 1.53 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -75.18 165.72 24.76 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 122.388 1.089 . . . . 0.0 113.725 165.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 155.23 35.95 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -103.29 -26.08 13.08 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 158.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -84.96 103.37 13.94 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-N 119.764 1.165 . . . . 0.0 113.102 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.567 1.629 0 CA-C-O 123.248 1.499 . . . . 0.0 109.987 167.412 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 114.65 0.62 . . . . 0.0 114.65 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.9 61.31 2.52 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.278 20.1 p -80.88 -46.67 14.89 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -166.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 8' ' ' CYS . 86.0 p -133.7 177.18 7.91 Favored 'General case' 0 CA--C 1.573 1.849 0 O-C-N 121.243 -0.911 . . . . 0.0 111.947 158.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.04 -66.45 0.89 Allowed 'General case' 0 CA--C 1.568 1.661 0 O-C-N 119.89 -1.756 . . . . 0.0 115.61 -162.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.82 71.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -96.33 -41.76 8.48 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' ' H ' ' A' ' 4' ' ' SER . 42.9 t -73.18 -81.1 0.06 Allowed 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 120.058 1.299 . . . . 0.0 113.628 -175.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.28 160.6 1.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 120.378 1.444 . . . . 0.0 112.069 164.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 p90 -106.34 -29.6 9.66 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 157.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -83.97 119.79 25.33 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.962 1.71 . . . . 0.0 113.269 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m . . . . . 0 CA--C 1.568 1.669 0 CA-C-O 124.324 2.011 . . . . 0.0 113.166 173.16 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.035 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.9 m -95.51 65.38 2.69 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.311 24.4 p -80.68 -78.05 0.18 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.6 p -85.92 169.65 13.08 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.939 1.245 . . . . 0.0 113.651 158.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.46 -75.66 0.24 Allowed 'General case' 0 CA--C 1.571 1.778 0 O-C-N 120.146 -1.596 . . . . 0.0 114.532 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.74 87.84 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -169.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -99.09 -48.28 4.92 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.5 t -67.55 -80.19 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.595 1.543 . . . . 0.0 113.221 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.88 159.62 1.4 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 120.413 1.461 . . . . 0.0 112.185 159.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -103.36 -36.92 7.85 Favored 'General case' 0 CA--C 1.576 1.976 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 153.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.28 115.56 19.0 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.85 1.659 . . . . 0.0 112.924 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 122.75 1.262 . . . . 0.0 110.526 173.19 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.28 72.0 6.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -171.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.371 30.5 p -83.88 -96.69 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.635 -1.291 . . . . 0.0 111.775 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -73.1 176.2 6.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 121.245 1.838 . . . . 0.0 114.321 162.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.9 -77.06 0.36 Allowed 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.942 -1.724 . . . . 0.0 113.967 -171.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.62 84.38 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 -172.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -95.29 -42.31 8.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -76.37 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.213 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.87 154.04 9.03 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 121.209 1.822 . . . . 0.0 113.577 164.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -102.18 -41.66 6.32 Favored 'General case' 0 CA--C 1.577 1.997 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -79.97 124.75 28.97 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 121.011 1.732 . . . . 0.0 112.147 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 m . . . . . 0 CA--C 1.565 1.554 0 CA-C-O 123.133 1.445 . . . . 0.0 110.227 164.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.061 0 N-CA-C 115.233 0.853 . . . . 0.0 115.233 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -84.52 97.12 9.38 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.358 21.8 p -109.26 -83.77 0.55 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.093 173.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -72.7 178.51 4.11 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 121.86 2.118 . . . . 0.0 114.056 151.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.9 -74.33 0.55 Allowed 'General case' 0 CA--C 1.568 1.671 0 O-C-N 119.981 -1.699 . . . . 0.0 112.137 -172.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.15 85.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mmt-85 -91.68 2.85 56.2 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.01 -84.07 0.47 Allowed 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 119.916 1.234 . . . . 0.0 109.324 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.35 152.9 15.03 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 122.895 1.331 . . . . 0.0 112.734 163.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -98.08 -39.7 8.78 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 165.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -82.74 104.2 12.8 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-N 120.165 1.348 . . . . 0.0 112.905 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 123.021 1.391 . . . . 0.0 111.451 170.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.1 m -86.22 86.65 7.35 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.365 24.7 p -95.91 -92.5 0.21 Allowed 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.922 171.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 p -71.14 178.53 3.23 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 121.139 1.79 . . . . 0.0 114.75 158.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -96.3 -66.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.411 -1.431 . . . . 0.0 112.295 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -52.15 59.68 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -101.22 21.58 13.77 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 t -136.58 -96.43 0.22 Allowed 'General case' 0 CA--C 1.562 1.423 0 O-C-N 120.746 -1.221 . . . . 0.0 108.252 169.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.58 156.22 27.63 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 121.339 1.881 . . . . 0.0 113.925 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -104.45 -38.71 6.7 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -82.77 104.94 13.39 Favored 'General case' 0 CA--C 1.569 1.691 0 CA-C-N 120.677 1.581 . . . . 0.0 112.848 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 123.046 1.403 . . . . 0.0 110.272 170.369 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.12 135.46 34.39 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.599 0.76 . . . . 0.0 112.307 172.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.334 1.8 p -142.66 -100.58 0.13 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.581 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.5 p -86.28 46.45 1.34 Allowed 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 119.125 3.009 . . . . 0.0 119.125 -168.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.304 12.5 t70 59.69 -84.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 159.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.98 -48.43 76.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 120.326 -1.484 . . . . 0.0 114.94 168.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -80.19 -59.13 2.83 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.42 89.12 2.91 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.329 1.052 . . . . 0.0 110.371 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.53 169.23 14.61 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 119.13 3.011 . . . . 0.0 119.13 -159.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -66.85 -29.36 69.26 Favored 'General case' 0 CA--C 1.574 1.896 0 N-CA-C 120.101 3.371 . . . . 0.0 120.101 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.31 109.33 14.7 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 121.156 1.798 . . . . 0.0 113.69 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m . . . . . 0 N--CA 1.488 1.465 0 CA-C-O 122.755 1.264 . . . . 0.0 111.289 170.115 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 114.002 0.361 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.2 m -105.68 141.15 37.62 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.776 0.83 . . . . 0.0 112.11 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.354 3.9 p -145.65 -117.09 0.08 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 113.554 -174.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.1 p -76.84 77.13 3.44 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.325 66.2 t0 20.93 -83.35 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 121.206 3.78 . . . . 0.0 121.206 165.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.94 61.32 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 119.532 3.16 . . . . 0.0 119.532 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -111.35 -63.39 1.41 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.117 0.967 . . . . 0.0 111.257 167.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -92.48 102.53 14.99 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.654 1.182 . . . . 0.0 111.69 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.09 153.64 43.4 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -163.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -71.77 -37.79 70.44 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -166.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -78.82 116.19 18.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.747 2.067 . . . . 0.0 112.3 -176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 m . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 123.376 1.56 . . . . 0.0 110.238 166.004 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 113.748 0.259 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.26 98.98 6.72 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 123.583 0.753 . . . . 0.0 111.507 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.306 4.2 p -148.11 -97.81 0.08 Allowed 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -165.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -80.06 73.72 6.85 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.307 20.8 t0 7.11 -81.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 121.768 3.988 . . . . 0.0 121.768 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 2.31 3.39 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 119.315 3.08 . . . . 0.0 119.315 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -119.72 -74.76 0.6 Allowed 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 125.155 1.382 . . . . 0.0 108.886 167.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.22 111.71 23.31 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.498 1.119 . . . . 0.0 110.892 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.59 -131.55 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -144.31 -35.98 0.34 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 119.709 -1.869 . . . . 0.0 115.707 -157.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -81.31 98.15 8.01 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 120.956 1.707 . . . . 0.0 112.809 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 108.938 168.455 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.975 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.6 m -120.33 90.08 3.26 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.894 0.854 . . . . 0.0 110.787 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.33 1.7 p -143.9 -122.3 0.09 Allowed 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.39 -170.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -74.03 92.52 2.15 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 121.118 1.781 . . . . 0.0 114.714 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -29.14 -56.09 0.14 Allowed 'General case' 0 N--CA 1.5 2.059 1 N-CA-C 122.961 4.43 . . . . 0.0 122.961 -160.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.76 90.92 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -80.05 -47.26 15.16 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -118.15 138.2 52.45 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.328 1.451 . . . . 0.0 111.707 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -151.74 0.03 OUTLIER 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -167.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -156.51 28.2 0.34 Allowed 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 117.349 2.351 . . . . 0.0 117.349 -163.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -140.06 94.31 2.74 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 119.615 -1.928 . . . . 0.0 110.403 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 122.591 1.186 . . . . 0.0 111.393 -176.069 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 114.697 0.639 . . . . 0.0 114.697 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 52.3 m -102.3 131.48 48.86 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.328 5.0 p -144.28 -129.69 0.08 Allowed 'General case' 0 CA--C 1.572 1.81 0 C-N-CA 123.683 0.793 . . . . 0.0 112.819 -173.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.2 p -73.07 122.58 22.03 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.86 -38.15 72.31 Favored 'General case' 0 CA--C 1.575 1.908 0 N-CA-C 119.671 3.212 . . . . 0.0 119.671 -166.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.16 -18.7 64.68 Favored 'General case' 0 CA--C 1.576 1.964 0 N-CA-C 118.491 2.775 . . . . 0.0 118.491 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -129.91 -63.93 0.89 Allowed 'General case' 0 N--CA 1.498 1.927 0 CA-C-N 120.32 1.418 . . . . 0.0 112.633 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 t -69.02 158.81 34.04 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.21 156.12 31.73 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.8 p90 -97.35 -29.57 13.44 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 160.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -79.05 122.73 26.57 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 120.375 1.443 . . . . 0.0 112.471 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 m -141.27 135.39 30.58 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 123.163 1.458 . . . . 0.0 111.136 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.957 0 O-C-N 117.287 -3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 114.728 0.651 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.9 m -87.47 72.54 9.68 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-O 122.923 1.344 . . . . 0.0 114.09 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.338 5.9 p -77.28 -104.67 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.6 p -86.55 104.79 16.33 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 120.703 1.592 . . . . 0.0 114.023 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -37.74 -54.2 1.23 Allowed 'General case' 0 N--CA 1.5 2.073 0 N-CA-C 119.528 3.159 . . . . 0.0 119.528 -173.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.42 -12.89 24.31 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 119.693 3.22 . . . . 0.0 119.693 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 84.5 mmt-85 -133.94 -58.71 0.85 Allowed 'General case' 0 N--CA 1.495 1.789 0 CA-C-N 119.491 1.041 . . . . 0.0 111.202 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.1 t -68.24 161.43 27.22 Favored 'General case' 0 CA--C 1.574 1.894 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 164.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.47 168.09 11.51 Favored 'General case' 0 CA--C 1.57 1.716 0 N-CA-C 116.668 2.099 . . . . 0.0 116.668 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 29.4 p90 -125.84 -17.99 5.25 Favored 'General case' 0 CA--C 1.573 1.863 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 mtt85 -108.86 113.47 26.43 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 121.352 1.887 . . . . 0.0 110.569 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.19 110.4 16.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.821 1.296 . . . . 0.0 111.111 176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.908 0 O-C-N 117.699 -3.126 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.996 0 N-CA-C 113.891 0.316 . . . . 0.0 113.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 68.2 m -85.54 79.3 9.45 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.628 1.204 . . . . 0.0 113.973 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.317 7.8 p -88.95 -115.34 0.06 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.02 96.75 2.2 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -35.79 -48.78 0.57 Allowed 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 120.499 3.518 . . . . 0.0 120.499 -172.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.92 -21.84 65.1 Favored 'General case' 0 CA--C 1.576 1.963 0 N-CA-C 119.136 3.013 . . . . 0.0 119.136 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.0 mmt-85 -121.7 -58.39 1.75 Allowed 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 119.615 1.098 . . . . 0.0 112.332 173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -72.87 160.57 31.93 Favored 'General case' 0 CA--C 1.572 1.798 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 169.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.0 172.25 8.16 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -170.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.4 p90 -129.51 -9.64 4.59 Favored 'General case' 0 CA--C 1.582 2.183 0 N-CA-C 116.764 2.135 . . . . 0.0 116.764 171.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.5 mtt85 -106.04 67.72 0.75 Allowed 'General case' 0 CA--C 1.577 2.01 0 CA-C-N 120.573 1.533 . . . . 0.0 113.623 -177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -100.41 98.2 8.86 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 123.421 1.581 . . . . 0.0 112.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.072 0 O-C-N 117.16 -3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 N-CA-C 115.275 0.87 . . . . 0.0 115.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.4 m -92.8 124.19 36.62 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 121.304 0.573 . . . . 0.0 112.196 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.301 4.2 p -146.19 -109.86 0.09 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.683 -0.675 . . . . 0.0 111.454 -174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -74.38 90.11 2.14 Favored 'General case' 0 CA--C 1.573 1.847 0 CA-C-N 120.646 1.566 . . . . 0.0 114.998 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -26.2 -51.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 121.778 3.992 . . . . 0.0 121.778 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.82 -37.61 60.2 Favored 'General case' 0 CA--C 1.571 1.762 0 N-CA-C 118.564 2.802 . . . . 0.0 118.564 173.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -125.35 -46.6 1.77 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 124.396 1.079 . . . . 0.0 113.906 -177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.1 t -83.26 160.06 21.82 Favored 'General case' 0 CA--C 1.571 1.765 0 CA-C-O 122.384 1.088 . . . . 0.0 112.919 163.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.04 171.17 7.19 Favored 'General case' 0 CA--C 1.568 1.649 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -171.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -128.01 -24.79 3.13 Favored 'General case' 0 CA--C 1.573 1.837 0 N-CA-C 116.372 1.99 . . . . 0.0 116.372 169.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -89.99 90.26 8.07 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-N 120.525 1.511 . . . . 0.0 112.028 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.4 m -118.29 104.84 11.15 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 123.098 1.428 . . . . 0.0 109.481 168.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 117.525 -3.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 113.844 0.298 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 89.7 m -84.29 127.91 34.26 Favored 'General case' 0 CA--C 1.563 1.467 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.299 7.0 p -154.05 -119.17 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 123.818 0.847 . . . . 0.0 111.582 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.1 p -70.5 109.94 5.1 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 120.737 1.608 . . . . 0.0 114.799 -175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -56.29 -34.49 66.53 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 119.609 3.189 . . . . 0.0 119.609 -162.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.0 -39.4 63.07 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 117.665 2.468 . . . . 0.0 117.665 170.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.5 mmt-85 -126.2 -54.45 1.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -70.08 157.98 36.55 Favored 'General case' 0 CA--C 1.567 1.617 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 167.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.18 162.01 25.8 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.423 2.008 . . . . 0.0 116.423 -170.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 28.3 p90 -118.29 -21.59 8.06 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 158.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 74.1 mtt85 -87.75 97.45 10.91 Favored 'General case' 0 CA--C 1.568 1.654 0 CA-C-N 120.313 1.415 . . . . 0.0 112.777 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -129.76 93.98 3.64 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 123.313 1.53 . . . . 0.0 110.288 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.954 0 O-C-N 116.877 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.04 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 90.1 m -80.97 115.46 20.46 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.327 5.2 p -139.32 -127.35 0.12 Allowed 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.411 -179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.0 p -73.4 111.16 8.26 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 121.366 1.894 . . . . 0.0 115.003 -172.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -42.5 -41.43 2.96 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 121.036 3.717 . . . . 0.0 121.036 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.64 -35.67 68.62 Favored 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 118.282 2.697 . . . . 0.0 118.282 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -126.69 -48.11 1.53 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 178.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -75.18 165.72 24.76 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 122.388 1.089 . . . . 0.0 113.725 165.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.67 155.23 35.95 Favored 'General case' 0 CA--C 1.564 1.491 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 -174.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -103.29 -26.08 13.08 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 115.547 1.684 . . . . 0.0 115.547 158.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -84.96 103.37 13.94 Favored 'General case' 0 CA--C 1.566 1.595 0 CA-C-N 119.764 1.165 . . . . 0.0 113.102 -174.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.7 m -130.36 135.96 48.6 Favored 'General case' 0 CA--C 1.567 1.629 0 CA-C-O 123.248 1.499 . . . . 0.0 109.987 167.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.915 0 O-C-N 116.367 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 114.65 0.62 . . . . 0.0 114.65 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 72.8 m -94.9 61.31 2.52 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.278 20.1 p -80.88 -46.67 14.89 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 117.065 2.246 . . . . 0.0 117.065 -166.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' HB3' ' A' ' 8' ' ' CYS . 86.0 p -133.7 177.18 7.91 Favored 'General case' 0 CA--C 1.573 1.849 0 O-C-N 121.243 -0.911 . . . . 0.0 111.947 158.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -81.04 -66.45 0.89 Allowed 'General case' 0 CA--C 1.568 1.661 0 O-C-N 119.89 -1.756 . . . . 0.0 115.61 -162.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.82 71.38 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 117.242 2.312 . . . . 0.0 117.242 -173.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mmt-85 -96.33 -41.76 8.48 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 115.976 1.843 . . . . 0.0 115.976 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' ' H ' ' A' ' 4' ' ' SER . 42.9 t -73.18 -81.1 0.06 Allowed 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 120.058 1.299 . . . . 0.0 113.628 -175.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.28 160.6 1.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 120.378 1.444 . . . . 0.0 112.069 164.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.4 p90 -106.34 -29.6 9.66 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 157.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -83.97 119.79 25.33 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-N 120.962 1.71 . . . . 0.0 113.269 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m -135.14 163.24 30.38 Favored 'General case' 0 CA--C 1.568 1.669 0 CA-C-O 124.324 2.011 . . . . 0.0 113.166 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 116.835 -3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.035 0 N-CA-C 115.175 0.83 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.9 m -95.51 65.38 2.69 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 173.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.311 24.4 p -80.68 -78.05 0.18 Allowed 'General case' 0 CA--C 1.564 1.508 0 N-CA-C 114.941 1.46 . . . . 0.0 114.941 -173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.6 p -85.92 169.65 13.08 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.939 1.245 . . . . 0.0 113.651 158.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.46 -75.66 0.24 Allowed 'General case' 0 CA--C 1.571 1.778 0 O-C-N 120.146 -1.596 . . . . 0.0 114.532 -173.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.74 87.84 Favored 'General case' 0 CA--C 1.565 1.54 0 N-CA-C 118.009 2.596 . . . . 0.0 118.009 -169.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -99.09 -48.28 4.92 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.5 t -67.55 -80.19 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 120.595 1.543 . . . . 0.0 113.221 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.88 159.62 1.4 Allowed 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 120.413 1.461 . . . . 0.0 112.185 159.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -103.36 -36.92 7.85 Favored 'General case' 0 CA--C 1.576 1.976 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 153.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -79.28 115.56 19.0 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 120.85 1.659 . . . . 0.0 112.924 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 67.4 m -141.69 107.99 5.26 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 122.75 1.262 . . . . 0.0 110.526 173.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 O-C-N 116.828 -3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.4 m -91.28 72.0 6.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -171.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.371 30.5 p -83.88 -96.69 0.06 Allowed 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.635 -1.291 . . . . 0.0 111.775 171.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.5 p -73.1 176.2 6.03 Favored 'General case' 0 CA--C 1.578 2.04 0 CA-C-N 121.245 1.838 . . . . 0.0 114.321 162.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -87.9 -77.06 0.36 Allowed 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.942 -1.724 . . . . 0.0 113.967 -171.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.62 84.38 Favored 'General case' 0 CA--C 1.565 1.541 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 -172.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -95.29 -42.31 8.59 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -76.37 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.571 1.762 0 CA-C-O 117.754 -1.117 . . . . 0.0 112.213 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.87 154.04 9.03 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 121.209 1.822 . . . . 0.0 113.577 164.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 23.0 p90 -102.18 -41.66 6.32 Favored 'General case' 0 CA--C 1.577 1.997 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 161.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -79.97 124.75 28.97 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 121.011 1.732 . . . . 0.0 112.147 175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.9 m -134.91 128.02 31.77 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 123.133 1.445 . . . . 0.0 110.227 164.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.822 0 O-C-N 116.817 -3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.061 0 N-CA-C 115.233 0.853 . . . . 0.0 115.233 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -84.52 97.12 9.38 Favored 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.358 21.8 p -109.26 -83.77 0.55 Allowed 'General case' 0 CA--C 1.566 1.572 0 CA-C-O 117.922 -1.037 . . . . 0.0 111.093 173.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.0 p -72.7 178.51 4.11 Favored 'General case' 0 N--CA 1.505 2.284 0 CA-C-N 121.86 2.118 . . . . 0.0 114.056 151.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -94.9 -74.33 0.55 Allowed 'General case' 0 CA--C 1.568 1.671 0 O-C-N 119.981 -1.699 . . . . 0.0 112.137 -172.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.14 -38.15 85.04 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 117.094 2.257 . . . . 0.0 117.094 175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mmt-85 -91.68 2.85 56.2 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.0 t -133.01 -84.07 0.47 Allowed 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 119.916 1.234 . . . . 0.0 109.324 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.35 152.9 15.03 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 122.895 1.331 . . . . 0.0 112.734 163.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -98.08 -39.7 8.78 Favored 'General case' 0 CA--C 1.571 1.779 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 165.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -82.74 104.2 12.8 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-N 120.165 1.348 . . . . 0.0 112.905 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -142.64 139.52 31.27 Favored 'General case' 0 N--CA 1.492 1.67 0 CA-C-O 123.021 1.391 . . . . 0.0 111.451 170.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.818 0 O-C-N 117.079 -3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 115.169 0.828 . . . . 0.0 115.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.1 m -86.22 86.65 7.35 Favored 'General case' 0 CA--C 1.562 1.414 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.365 24.7 p -95.91 -92.5 0.21 Allowed 'General case' 0 CA--C 1.562 1.43 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.922 171.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.0 p -71.14 178.53 3.23 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 121.139 1.79 . . . . 0.0 114.75 158.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -96.3 -66.51 0.9 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.411 -1.431 . . . . 0.0 112.295 -175.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -52.15 59.68 Favored 'General case' 0 CA--C 1.567 1.615 0 N-CA-C 116.042 1.867 . . . . 0.0 116.042 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -101.22 21.58 13.77 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.8 t -136.58 -96.43 0.22 Allowed 'General case' 0 CA--C 1.562 1.423 0 O-C-N 120.746 -1.221 . . . . 0.0 108.252 169.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.58 156.22 27.63 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 121.339 1.881 . . . . 0.0 113.925 167.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -104.45 -38.71 6.7 Favored 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 168.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -82.77 104.94 13.39 Favored 'General case' 0 CA--C 1.569 1.691 0 CA-C-N 120.677 1.581 . . . . 0.0 112.848 -175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -140.52 110.82 6.66 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 123.046 1.403 . . . . 0.0 110.272 170.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 O-C-N 117.324 -3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.109 0 N-CA-C 114.523 0.569 . . . . 0.0 114.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 58.6 m -84.12 135.46 34.39 Favored 'General case' 0 CA--C 1.564 1.504 0 C-N-CA 123.599 0.76 . . . . 0.0 112.307 172.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.334 1.8 p -142.66 -100.58 0.13 Allowed 'General case' 0 CA--C 1.563 1.469 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.581 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.5 p -86.28 46.45 1.34 Allowed 'General case' 0 CA--C 1.579 2.075 0 N-CA-C 119.125 3.009 . . . . 0.0 119.125 -168.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.304 12.5 t70 59.69 -84.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 118.066 2.617 . . . . 0.0 118.066 159.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.98 -48.43 76.44 Favored 'General case' 0 CA--C 1.571 1.754 0 O-C-N 120.326 -1.484 . . . . 0.0 114.94 168.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -80.19 -59.13 2.83 Favored 'General case' 0 CA--C 1.569 1.693 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 178.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -109.42 89.12 2.91 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 124.329 1.052 . . . . 0.0 110.371 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.53 169.23 14.61 Favored 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 119.13 3.011 . . . . 0.0 119.13 -159.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 24.7 p90 -66.85 -29.36 69.26 Favored 'General case' 0 CA--C 1.574 1.896 0 N-CA-C 120.101 3.371 . . . . 0.0 120.101 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -80.31 109.33 14.7 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 121.156 1.798 . . . . 0.0 113.69 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -127.08 94.36 4.0 Favored 'General case' 0 N--CA 1.488 1.465 0 CA-C-O 122.755 1.264 . . . . 0.0 111.289 170.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.688 0 O-C-N 117.575 -3.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.099 0 N-CA-C 114.002 0.361 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 65.2 m -105.68 141.15 37.62 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 123.776 0.83 . . . . 0.0 112.11 174.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.354 3.9 p -145.65 -117.09 0.08 Allowed 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.118 -0.989 . . . . 0.0 113.554 -174.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.1 p -76.84 77.13 3.44 Favored 'General case' 0 CA--C 1.575 1.939 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -174.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.325 66.2 t0 20.93 -83.35 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 N-CA-C 121.206 3.78 . . . . 0.0 121.206 165.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.35 -15.94 61.32 Favored 'General case' 0 CA--C 1.578 2.03 0 N-CA-C 119.532 3.16 . . . . 0.0 119.532 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -111.35 -63.39 1.41 Allowed 'General case' 0 CA--C 1.57 1.729 0 C-N-CA 124.117 0.967 . . . . 0.0 111.257 167.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.9 t -92.48 102.53 14.99 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 124.654 1.182 . . . . 0.0 111.69 178.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.09 153.64 43.4 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 -163.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -71.77 -37.79 70.44 Favored 'General case' 0 CA--C 1.568 1.643 0 N-CA-C 119.456 3.132 . . . . 0.0 119.456 -166.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -78.82 116.19 18.99 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 121.747 2.067 . . . . 0.0 112.3 -176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 m -121.64 84.18 2.21 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 123.376 1.56 . . . . 0.0 110.238 166.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 118.014 -2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 113.748 0.259 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 97.4 m -117.26 98.98 6.72 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 123.583 0.753 . . . . 0.0 111.507 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.306 4.2 p -148.11 -97.81 0.08 Allowed 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -165.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.8 p -80.06 73.72 6.85 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -174.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . 0.307 20.8 t0 7.11 -81.49 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 121.768 3.988 . . . . 0.0 121.768 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.68 2.31 3.39 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 119.315 3.08 . . . . 0.0 119.315 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -119.72 -74.76 0.6 Allowed 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 125.155 1.382 . . . . 0.0 108.886 167.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.22 111.71 23.31 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 124.498 1.119 . . . . 0.0 110.892 175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.59 -131.55 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.925 0 N-CA-C 116.26 1.948 . . . . 0.0 116.26 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -144.31 -35.98 0.34 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 119.709 -1.869 . . . . 0.0 115.707 -157.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -81.31 98.15 8.01 Favored 'General case' 0 N--CA 1.494 1.75 0 CA-C-N 120.956 1.707 . . . . 0.0 112.809 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -126.18 112.92 16.34 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.978 0.894 . . . . 0.0 108.938 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.856 0 O-C-N 117.639 -3.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.975 0 N-CA-C 114.123 0.409 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 83.6 m -120.33 90.08 3.26 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 121.894 0.854 . . . . 0.0 110.787 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.33 1.7 p -143.9 -122.3 0.09 Allowed 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.39 -170.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.7 p -74.03 92.52 2.15 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 121.118 1.781 . . . . 0.0 114.714 -172.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -29.14 -56.09 0.14 Allowed 'General case' 0 N--CA 1.5 2.059 1 N-CA-C 122.961 4.43 . . . . 0.0 122.961 -160.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.76 90.92 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -80.05 -47.26 15.16 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.2 t -118.15 138.2 52.45 Favored 'General case' 0 CA--C 1.565 1.55 0 C-N-CA 125.328 1.451 . . . . 0.0 111.707 -178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.96 -151.74 0.03 OUTLIER 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -167.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -156.51 28.2 0.34 Allowed 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 117.349 2.351 . . . . 0.0 117.349 -163.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 -140.06 94.31 2.74 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 119.615 -1.928 . . . . 0.0 110.403 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.6 m -126.89 108.8 11.32 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 122.591 1.186 . . . . 0.0 111.393 -176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.855 0 O-C-N 117.506 -3.246 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_