data_1mdi_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 1mdi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.237 0.541 . . . . 2.8700000000000001 109.556 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.6 t -100.89 158.48 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.434 -0.791 . . . . 1.1000000000000001 109.239 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -150.1 126.69 10.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.162 -0.961 . . . . 2.1400000000000001 109.076 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -90.4 132.83 35.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.337 -0.852 . . . . 0.80000000000000004 109.828 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.2 106.26 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.27 -1.011 . . . . 1.0900000000000001 108.27 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -98.74 -8.83 25.41 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 2.0499999999999998 109.668 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.0 p -153.68 150.82 28.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.95999999999999996 109.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 13.9 tttm -51.67 -24.34 5.52 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.49 -0.756 . . . . 2.2599999999999998 109.51 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -62.5 -48.77 78.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 1.1299999999999999 109.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.6 -21.18 62.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.89 . . . . 1.04 109.439 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.35 -68.44 0.3 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.073 -1.017 . . . . 0.38 109.553 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.62 -45.58 73.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.482 -0.762 . . . . 2.4100000000000001 109.82 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.44 -35.83 72.72 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.06 -1.025 . . . . 1.96 109.595 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.0 95.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.079 . . . . 1.04 108.943 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -43.18 91.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.395 -0.816 . . . . 1.0700000000000001 109.501 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.58 -39.93 94.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.783 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.67 58.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 1.0900000000000001 110.085 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -14.83 63.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 1.04 109.327 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.53 -110.29 3.0 Favored Glycine 0 N--CA 1.493 2.433 0 N-CA-C 110.235 -1.146 . . . . 0.31 110.235 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -135.51 -1.07 2.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -1.049 . . . . 2.1800000000000002 109.117 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 109' ' ' HOH . 40.1 mttt -69.78 166.59 18.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.971 -1.081 . . . . 1.77 109.623 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.632 ' H ' ' H2 ' ' A' ' 111' ' ' HOH . 0.4 OUTLIER -62.15 162.77 9.04 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.276 -1.009 . . . . 1.05 108.276 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' H ' ' CD2' ' A' ' 22' ' ' LEU . 11.3 t -144.89 103.69 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.018 -1.051 . . . . 1.04 109.365 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.96 130.55 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.629 -0.878 . . . . 1.04 108.629 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -107.48 142.44 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.615 -0.678 . . . . 1.04 109.558 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.79 100.29 8.56 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.863 -0.791 . . . . 1.0900000000000001 108.863 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -83.15 79.26 9.43 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.625 -1.25 . . . . 0.17999999999999999 107.625 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 m -113.06 151.55 30.59 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.29 0.567 . . . . 0.92000000000000004 109.662 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.75 130.99 43.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 1.05 109.246 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -67.9 -24.99 65.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 1.0600000000000001 110.872 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.616 ' CZ3' ' CE2' ' B' ' 3' ' ' PHE . 57.7 p-90 -89.48 -16.69 30.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.952 -1.093 . . . . 0.34999999999999998 110.885 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.6 126.42 39.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.05 -1.031 . . . . 0.23999999999999999 109.675 -179.01 -155.558 177.609 112.943 104.282 2.023 103.756 163.414 -39.906 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -65.45 -57.66 10.97 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.703 -0.623 . . . . 0.20999999999999999 112.111 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 24.2 Cg_exo -45.89 -38.48 18.24 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.638 1.559 . . . . 0.20000000000000001 111.913 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.38 -57.91 3.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.636 -1.29 . . . . 1.0600000000000001 108.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -59.53 -16.88 27.76 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 2.2599999999999998 109.977 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' GLY . 6.7 tpt -60.8 -28.31 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.308 -0.87 . . . . 2.1099999999999999 110.189 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mt -92.0 17.31 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.929 -1.107 . . . . 1.1699999999999999 111.041 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.81 -31.36 1.5 Allowed Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 120.016 -1.678 . . . . 1.8999999999999999 112.525 179.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 4.8 Cg_exo -66.83 2.66 1.92 Allowed 'Trans proline' 0 C--O 1.214 -0.685 0 CA-C-N 119.649 0.91 . . . . 0.25 110.006 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' ' 39' ' ' LYS . 41.2 m-85 -118.48 -76.17 0.58 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.816 -0.809 . . . . 0.33000000000000002 108.816 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -42.18 -56.87 2.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.19 110.356 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.81 -28.25 67.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 0.39000000000000001 109.988 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 46' ' ' SER . 45.4 t -66.31 -41.65 89.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 1.8100000000000001 109.833 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -50.39 -16.73 0.37 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.066 -1.021 . . . . 1.0600000000000001 109.381 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 44' ' ' SER . 21.7 m -55.94 -34.38 65.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.90000000000000002 109.951 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.08 -18.08 21.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.167 -0.958 . . . . 2.02 110.458 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -90.82 -22.0 21.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.866 -1.146 . . . . 2.3900000000000001 109.339 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -132.48 67.97 1.51 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.475 -0.766 . . . . 0.88 109.258 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.9 p -66.96 -3.82 8.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.858 . . . . 0.93999999999999995 109.011 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -94.94 -1.95 51.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.434 -0.791 . . . . 1.97 109.74 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -117.57 151.2 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.538 -0.726 . . . . 1.05 109.339 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mm -100.4 129.54 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.462 -0.774 . . . . 1.02 109.241 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -115.1 131.04 57.06 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 109.018 -0.734 . . . . 0.23000000000000001 109.018 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.87 173.04 6.57 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.335 -0.853 . . . . 1.03 109.011 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -143.98 144.71 31.8 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.867 -1.161 . . . . 1.1599999999999999 107.867 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -141.93 138.99 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.127 -0.983 . . . . 1.0800000000000001 110.589 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' CG ' ' H1 ' ' A' ' 108' ' ' HOH . 8.6 t70 -97.95 100.47 11.81 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.792 -1.188 . . . . 1.1200000000000001 107.792 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.437 ' CG1' ' HH ' ' B' ' 5' ' ' TYR . 17.2 m -57.42 -12.84 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.301 -0.874 . . . . 1.0600000000000001 111.345 -178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.02 -41.86 6.3 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.924 -1.11 . . . . 1.21 111.167 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.42 -11.12 35.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 1.1499999999999999 109.605 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.13 47.43 2.26 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.704 -0.85 . . . . 1.05 108.704 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' O ' ' OG ' ' A' ' 67' ' ' SER . 1.9 mt-30 -56.06 -15.01 3.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.992 -1.067 . . . . 2.4900000000000002 109.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 2.1 p-10 -69.04 -38.44 79.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.987 -1.071 . . . . 1.1100000000000001 108.979 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -75.96 -47.3 32.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.176 -1.046 . . . . 1.0600000000000001 108.176 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.8 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.476 -0.765 . . . . 1.05 109.118 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 63' ' ' GLN . 24.4 m -63.11 -50.29 71.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.263 -0.898 . . . . 0.56999999999999995 109.331 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.37 -35.98 82.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.282 -0.886 . . . . 2.3799999999999999 109.72 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.62 -3.19 59.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.133 -0.979 . . . . 1.0600000000000001 108.942 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 45.5 54.57 7.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.35 -0.844 . . . . 1.8700000000000001 110.192 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.09 138.13 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 108.445 -0.946 . . . . 1.0600000000000001 108.445 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -134.57 5.05 3.41 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.281 -0.887 . . . . 2.7000000000000002 110.055 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 76' ' ' THR . . . -152.72 121.07 6.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.183 -0.948 . . . . 1.04 108.498 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 34.2 p -106.57 150.6 39.78 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.176 -0.952 . . . . 1.04 108.558 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -79.53 142.85 66.73 Favored 'Cis proline' 0 N--CA 1.484 0.951 0 N-CA-C 109.928 -0.835 . . . . 0.20999999999999999 109.928 -1.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 2.9 m -113.66 114.7 26.78 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 108.198 -1.038 . . . . 1.04 108.198 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -89.41 118.66 29.23 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.16 109.289 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -115.03 136.36 53.21 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.915 -1.142 . . . . 2.0099999999999998 107.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' A' ' 79' ' ' PHE . 19.1 m-85 -110.99 124.77 52.81 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.491 -0.756 . . . . 0.16 109.798 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -123.24 157.63 32.69 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.957 -0.757 . . . . 0.38 108.957 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -153.93 124.19 6.96 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.943 -1.502 . . . . 2.0699999999999998 106.943 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 54.88 31.99 16.89 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.184 -0.947 . . . . 2.23 110.088 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.1 4.55 90.49 Favored Glycine 0 N--CA 1.495 2.577 0 C-N-CA 120.018 -1.087 . . . . 0.22 111.106 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -115.02 148.56 38.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.109 -1.23 . . . . 3.2200000000000002 110.657 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -85.51 145.32 27.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.497 -0.752 . . . . 2.1099999999999999 110.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.49 -23.41 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.381 -0.824 . . . . 1.0800000000000001 110.292 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.98 175.37 45.32 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 119.461 -1.352 . . . . 0.26000000000000001 110.294 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -174.74 152.58 1.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.273 -1.133 . . . . 1.9399999999999999 110.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.5 p90 -169.24 132.64 1.31 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.773 -0.771 . . . . 0.14000000000000001 110.35 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.2 p -104.12 -168.12 1.45 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.391 -0.818 . . . . 0.80000000000000004 108.898 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.6 130.51 3.63 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.261 -1.535 . . . . 0.17000000000000001 109.261 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.57 95.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.236 -1.155 . . . . 1.02 111.236 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -142.11 77.34 1.58 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.107 -1.071 . . . . 1.9199999999999999 108.107 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.26 75.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 1.79 110.898 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -65.98 -28.43 68.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.949 -1.094 . . . . 1.8500000000000001 109.885 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -69.94 -32.83 71.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.089 -1.007 . . . . 2.2400000000000002 109.44 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.5 mt -52.83 -35.13 56.79 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.467 -1.396 . . . . 1.1599999999999999 108.505 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.76 -55.51 12.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.848 . . . . 2.0499999999999998 109.55 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.54 86.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 1.05 110.297 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 m -67.25 -45.25 77.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.141 -0.975 . . . . 1.04 109.77 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.68 -50.43 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.977 -1.077 . . . . 1.05 108.694 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 102' ' ' ASN . 44.7 t-20 -63.51 -12.9 35.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 1.4399999999999999 109.411 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -60.93 2.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 1.9299999999999999 109.85 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.69 23.44 5.4 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.721 . . . . 1.1799999999999999 110.761 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.494 1.735 0 O-C-N 120.699 -1.251 . . . . 1.1299999999999999 109.565 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' B' ' 1' ' ' PHE . 6.7 p90 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.444 -0.576 . . . . 4.0199999999999996 109.444 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.571 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 79.6 mtt180 -143.51 70.82 1.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.088 -1.008 . . . . 2.46 110.284 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PHE . . . . . 0.616 ' CE2' ' CZ3' ' A' ' 31' ' ' TRP . 19.9 m-85 -118.95 145.7 45.57 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.16 -0.963 . . . . 0.56000000000000005 108.568 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.44 -97.77 0.22 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.319 -0.863 . . . . 2.2799999999999998 109.088 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' TYR . . . . . 0.437 ' HH ' ' CG1' ' A' ' 59' ' ' VAL . 1.8 p90 -117.31 -167.56 1.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.983 -1.073 . . . . 0.94999999999999996 110.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -73.93 148.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.895 0.855 . . . . 1.0700000000000001 112.174 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.81 94.87 6.28 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.809 -1.182 . . . . 0.26000000000000001 107.809 177.507 -39.906 163.414 112.943 103.756 2.023 104.282 177.609 -155.558 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -82.78 43.23 0.83 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.871 -1.143 . . . . 1.22 110.074 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.628 ' C ' ' H ' ' B' ' 11' ' ' SER . . . -70.24 -133.45 0.09 OUTLIER Glycine 0 N--CA 1.482 1.743 0 N-CA-C 106.401 -2.679 . . . . 0.19 106.401 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.74 23.12 0.1 Allowed 'Trans proline' 0 C--N 1.32 -0.939 0 CA-C-N 119.272 1.536 . . . . 0.27000000000000002 109.479 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.628 ' H ' ' C ' ' B' ' 9' ' ' GLY . 34.2 t -84.12 -34.65 24.06 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.391 -0.966 . . . . 1.1100000000000001 108.391 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.667 ' HD1' ' H ' ' B' ' 13' ' ' GLY . 1.4 t60 -107.04 158.26 17.18 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.659 -0.867 . . . . 2.6499999999999999 108.659 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.667 ' H ' ' HD1' ' B' ' 12' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.934 -1.481 . . . . 3.4100000000000001 109.661 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HOH . . . . . 0.405 ' H1 ' ' CG ' ' A' ' 58' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HOH . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HOH . . . . . 0.632 ' H2 ' ' H ' ' A' ' 22' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.237 0.541 . . . . 2.4500000000000002 109.556 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 3' ' ' LYS . 57.6 t -100.89 158.48 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.434 -0.791 . . . . 0.34999999999999998 109.239 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 2' ' ' VAL . 36.9 tttp -150.1 126.69 10.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.162 -0.961 . . . . 1.6000000000000001 109.076 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -90.4 132.83 35.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.337 -0.852 . . . . 0.56999999999999995 109.828 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.2 106.26 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.27 -1.011 . . . . 0.32000000000000001 108.27 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -98.74 -8.83 25.41 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 2.0499999999999998 109.668 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.0 p -153.68 150.82 28.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.34000000000000002 109.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 13.9 tttm -51.67 -24.34 5.52 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.49 -0.756 . . . . 1.71 109.51 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -62.5 -48.77 78.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.41999999999999998 109.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.6 -21.18 62.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.89 . . . . 0.20999999999999999 109.439 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.35 -68.44 0.3 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.073 -1.017 . . . . 0.33000000000000002 109.553 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -54.62 -45.58 73.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.482 -0.762 . . . . 2.0800000000000001 109.82 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.44 -35.83 72.72 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.06 -1.025 . . . . 1.96 109.595 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.0 95.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.079 . . . . 0.13 108.943 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -43.18 91.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.395 -0.816 . . . . 0.20000000000000001 109.501 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.58 -39.93 94.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.304 -0.873 . . . . 1.1399999999999999 109.783 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.67 58.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.28999999999999998 110.085 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -14.83 63.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.23999999999999999 109.327 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.53 -110.29 3.0 Favored Glycine 0 N--CA 1.493 2.433 0 N-CA-C 110.235 -1.146 . . . . 0.31 110.235 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -135.51 -1.07 2.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -1.049 . . . . 2.1800000000000002 109.117 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 109' ' ' HOH . 40.1 mttt -69.78 166.59 18.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.971 -1.081 . . . . 1.26 109.623 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -62.15 162.77 9.04 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.276 -1.009 . . . . 0.17000000000000001 108.276 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' H ' HD23 ' A' ' 22' ' ' LEU . 11.3 t -144.89 103.69 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.018 -1.051 . . . . 0.11 109.365 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.96 130.55 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.629 -0.878 . . . . 0.13 108.629 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -107.48 142.44 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.615 -0.678 . . . . 0.13 109.558 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.79 100.29 8.56 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.863 -0.791 . . . . 1.0900000000000001 108.863 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CE1' ' NE2' ' A' ' 78' ' ' GLN . 44.7 m-85 -83.15 79.26 9.43 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.625 -1.25 . . . . 0.16 107.625 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 m -113.06 151.55 30.59 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.29 0.567 . . . . 0.63 109.662 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.75 130.99 43.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.20999999999999999 109.246 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -67.9 -24.99 65.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.29999999999999999 110.872 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.616 ' CZ3' ' CE2' ' B' ' 3' ' ' PHE . 57.7 p-90 -89.48 -16.69 30.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.952 -1.093 . . . . 0.29999999999999999 110.885 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.6 126.42 39.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.05 -1.031 . . . . 0.23999999999999999 109.675 -179.01 -155.558 177.609 112.943 104.282 2.023 103.756 163.414 -39.906 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -65.45 -57.66 10.97 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.703 -0.623 . . . . 0.17999999999999999 112.111 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 24.2 Cg_exo -45.89 -38.48 18.24 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.638 1.559 . . . . 0.17000000000000001 111.913 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.38 -57.91 3.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.636 -1.29 . . . . 0.22 108.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -59.53 -16.88 27.76 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 1.78 109.977 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' GLY . 6.7 tpt -60.8 -28.31 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.308 -0.87 . . . . 1.6499999999999999 110.189 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mt -92.0 17.31 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.929 -1.107 . . . . 0.40000000000000002 111.041 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.81 -31.36 1.5 Allowed Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 120.016 -1.678 . . . . 1.1599999999999999 112.525 179.726 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 4.8 Cg_exo -66.83 2.66 1.92 Allowed 'Trans proline' 0 C--O 1.214 -0.685 0 CA-C-N 119.649 0.91 . . . . 0.25 110.006 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' LYS . 41.2 m-85 -118.48 -76.17 0.58 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.816 -0.809 . . . . 0.28999999999999998 108.816 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -42.18 -56.87 2.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.16 110.356 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.81 -28.25 67.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 0.39000000000000001 109.988 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 46' ' ' SER . 45.4 t -66.31 -41.65 89.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 1.3200000000000001 109.833 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -50.39 -16.73 0.37 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.066 -1.021 . . . . 0.20999999999999999 109.381 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 44' ' ' SER . 21.7 m -55.94 -34.38 65.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.25 109.951 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.08 -18.08 21.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.167 -0.958 . . . . 2.02 110.458 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -90.82 -22.0 21.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.866 -1.146 . . . . 1.8799999999999999 109.339 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -132.48 67.97 1.51 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.475 -0.766 . . . . 0.28999999999999998 109.258 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.9 p -66.96 -3.82 8.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.858 . . . . 0.28000000000000003 109.011 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -94.94 -1.95 51.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.434 -0.791 . . . . 1.1499999999999999 109.74 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -117.57 151.2 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.538 -0.726 . . . . 0.20000000000000001 109.339 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mm -100.4 129.54 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.462 -0.774 . . . . 0.16 109.241 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' HD12 ' A' ' 55' ' ' LEU . 75.5 m-85 -115.1 131.04 57.06 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 109.018 -0.734 . . . . 0.19 109.018 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 54' ' ' PHE . 7.0 mp -112.87 173.04 6.57 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.335 -0.853 . . . . 0.14000000000000001 109.011 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -143.98 144.71 31.8 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.867 -1.161 . . . . 1.1599999999999999 107.867 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -141.93 138.99 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.127 -0.983 . . . . 0.26000000000000001 110.589 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.95 100.47 11.81 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.792 -1.188 . . . . 1.1200000000000001 107.792 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 m -57.42 -12.84 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.301 -0.874 . . . . 0.26000000000000001 111.345 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.02 -41.86 6.3 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.924 -1.11 . . . . 1.21 111.167 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.42 -11.12 35.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 1.1499999999999999 109.605 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.13 47.43 2.26 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.704 -0.85 . . . . 0.22 108.704 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' HG3' ' H ' ' A' ' 63' ' ' GLN . 1.9 mt-30 -56.06 -15.01 3.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.992 -1.067 . . . . 2.04 109.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 2.1 p-10 -69.04 -38.44 79.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.987 -1.071 . . . . 1.1100000000000001 108.979 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -75.96 -47.3 32.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.176 -1.046 . . . . 0.20000000000000001 108.176 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.8 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.476 -0.765 . . . . 0.20999999999999999 109.118 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -63.11 -50.29 71.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.263 -0.898 . . . . 0.34999999999999998 109.331 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.37 -35.98 82.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.282 -0.886 . . . . 2.3799999999999999 109.72 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.62 -3.19 59.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.133 -0.979 . . . . 0.28000000000000003 108.942 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 45.5 54.57 7.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.35 -0.844 . . . . 1.8700000000000001 110.192 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.09 138.13 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 108.445 -0.946 . . . . 0.34000000000000002 108.445 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -134.57 5.05 3.41 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.281 -0.887 . . . . 2.1600000000000001 110.055 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HB1' ' CD ' ' B' ' 8' ' ' GLU . . . -152.72 121.07 6.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.183 -0.948 . . . . 0.29999999999999999 108.498 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.544 HG23 ' CE2' ' B' ' 5' ' ' TYR . 34.2 p -106.57 150.6 39.78 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.176 -0.952 . . . . 0.32000000000000001 108.558 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -79.53 142.85 66.73 Favored 'Cis proline' 0 N--CA 1.484 0.951 0 N-CA-C 109.928 -0.835 . . . . 0.17999999999999999 109.928 -1.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 2.9 m -113.66 114.7 26.78 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 108.198 -1.038 . . . . 0.14999999999999999 108.198 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.69 ' CD1' HD21 ' A' ' 97' ' ' LEU . 81.1 m-85 -89.41 118.66 29.23 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.16 109.289 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.528 ' NE2' ' CE1' ' A' ' 27' ' ' PHE . 12.1 mt-30 -115.03 136.36 53.21 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.915 -1.142 . . . . 1.1899999999999999 107.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' A' ' 79' ' ' PHE . 19.1 m-85 -110.99 124.77 52.81 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.491 -0.756 . . . . 0.14999999999999999 109.798 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -123.24 157.63 32.69 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.957 -0.757 . . . . 0.27000000000000002 108.957 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -153.93 124.19 6.96 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.943 -1.502 . . . . 1.5 106.943 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 54.88 31.99 16.89 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.184 -0.947 . . . . 1.6899999999999999 110.088 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.1 4.55 90.49 Favored Glycine 0 N--CA 1.495 2.577 0 C-N-CA 120.018 -1.087 . . . . 0.22 111.106 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -115.02 148.56 38.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.109 -1.23 . . . . 2.4300000000000002 110.657 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -85.51 145.32 27.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.497 -0.752 . . . . 1.5700000000000001 110.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.49 -23.41 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.381 -0.824 . . . . 0.29999999999999999 110.292 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.98 175.37 45.32 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 119.461 -1.352 . . . . 0.20999999999999999 110.294 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -174.74 152.58 1.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.273 -1.133 . . . . 1.9399999999999999 110.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 5.5 p90 -169.24 132.64 1.31 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.773 -0.771 . . . . 0.12 110.35 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.2 p -104.12 -168.12 1.45 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.391 -0.818 . . . . 0.14999999999999999 108.898 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.6 130.51 3.63 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.261 -1.535 . . . . 0.16 109.261 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' HB2' ' C ' ' B' ' 9' ' ' GLY . . . -57.57 95.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.236 -1.155 . . . . 0.17999999999999999 111.236 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -142.11 77.34 1.58 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.107 -1.071 . . . . 1.1200000000000001 108.107 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.26 75.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 1.2 110.898 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -65.98 -28.43 68.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.949 -1.094 . . . . 1.8500000000000001 109.885 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -69.94 -32.83 71.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.089 -1.007 . . . . 1.6899999999999999 109.44 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD21 ' CD1' ' A' ' 77' ' ' PHE . 45.5 mt -52.83 -35.13 56.79 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.467 -1.396 . . . . 0.44 108.505 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.76 -55.51 12.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.848 . . . . 2.0499999999999998 109.55 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.54 86.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 0.17000000000000001 110.297 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 m -67.25 -45.25 77.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.141 -0.975 . . . . 0.17000000000000001 109.77 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.68 -50.43 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.977 -1.077 . . . . 0.17000000000000001 108.694 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 102' ' ' ASN . 44.7 t-20 -63.51 -12.9 35.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.89000000000000001 109.411 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -60.93 2.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 1.9299999999999999 109.85 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.69 23.44 5.4 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.721 . . . . 0.5 110.761 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.494 1.735 0 O-C-N 120.699 -1.251 . . . . 1.1100000000000001 109.565 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' B' ' 1' ' ' PHE . 6.7 p90 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.444 -0.576 . . . . 3.4399999999999999 109.444 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.571 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 79.6 mtt180 -143.51 70.82 1.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.088 -1.008 . . . . 1.8 110.284 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PHE . . . . . 0.616 ' CE2' ' CZ3' ' A' ' 31' ' ' TRP . 19.9 m-85 -118.95 145.7 45.57 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.16 -0.963 . . . . 0.47999999999999998 108.568 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -136.44 -97.77 0.22 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.319 -0.863 . . . . 1.6699999999999999 109.088 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' TYR . . . . . 0.544 ' CE2' HG23 ' A' ' 74' ' ' THR . 1.8 p90 -117.31 -167.56 1.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.983 -1.073 . . . . 0.33000000000000002 110.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -73.93 148.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.895 0.855 . . . . 0.27000000000000002 112.174 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.81 94.87 6.28 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.809 -1.182 . . . . 0.20000000000000001 107.809 177.507 -39.906 163.414 112.943 103.756 2.023 104.282 177.609 -155.558 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.534 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 3.1 pt-20 -82.78 43.23 0.83 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.871 -1.143 . . . . 1.22 110.074 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.611 ' C ' ' H ' ' B' ' 11' ' ' SER . . . -70.24 -133.45 0.09 OUTLIER Glycine 0 N--CA 1.482 1.743 0 N-CA-C 106.401 -2.679 . . . . 0.16 106.401 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.74 23.12 0.1 Allowed 'Trans proline' 0 C--N 1.32 -0.939 0 CA-C-N 119.272 1.536 . . . . 0.25 109.479 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.611 ' H ' ' C ' ' B' ' 9' ' ' GLY . 34.2 t -84.12 -34.65 24.06 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.391 -0.966 . . . . 0.55000000000000004 108.391 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' B' ' 13' ' ' GLY . 1.4 t60 -107.04 158.26 17.18 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.659 -0.867 . . . . 1.8700000000000001 108.659 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' B' ' 12' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.934 -1.481 . . . . 3.4100000000000001 109.661 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HOH . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.237 0.541 . . . . 2.45 109.556 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 3' ' ' LYS . 57.6 t -100.89 158.48 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.434 -0.791 . . . . 0.35 109.239 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 2' ' ' VAL . 36.9 tttp -150.1 126.69 10.91 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.162 -0.961 . . . . 1.6 109.076 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -90.4 132.83 35.39 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.337 -0.852 . . . . 0.57 109.828 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.3 mm -106.2 106.26 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 N-CA-C 108.27 -1.011 . . . . 0.32 108.27 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -98.74 -8.83 25.41 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.106 -0.996 . . . . 2.05 109.668 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.0 p -153.68 150.82 28.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.178 -0.951 . . . . 0.34 109.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' N ' ' OD2' ' A' ' 64' ' ' ASP . 13.9 tttm -51.67 -24.34 5.52 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.49 -0.756 . . . . 1.71 109.51 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -62.5 -48.77 78.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.049 -1.032 . . . . 0.42 109.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.6 -21.18 62.69 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.277 -0.89 . . . . 0.21 109.439 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -60.35 -68.44 0.3 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.073 -1.017 . . . . 0.33 109.553 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -54.62 -45.58 73.74 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.482 -0.762 . . . . 2.08 109.82 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.44 -35.83 72.72 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.06 -1.025 . . . . 1.96 109.595 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.55 -45.0 95.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.973 -1.079 . . . . 0.13 108.943 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.43 -43.18 91.31 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.395 -0.816 . . . . 0.2 109.501 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -64.58 -39.93 94.62 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.304 -0.873 . . . . 1.14 109.783 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.71 -14.67 58.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.177 -0.952 . . . . 0.29 110.085 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.28 -14.83 63.27 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.038 -1.039 . . . . 0.24 109.327 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.53 -110.29 3.0 Favored Glycine 0 N--CA 1.493 2.433 0 N-CA-C 110.235 -1.146 . . . . 0.31 110.235 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -135.51 -1.07 2.58 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -1.049 . . . . 2.18 109.117 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 109' ' ' HOH . 40.1 mttt -69.78 166.59 18.99 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.971 -1.081 . . . . 1.26 109.623 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -62.15 162.77 9.04 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.276 -1.009 . . . . 0.17 108.276 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' H ' HD23 ' A' ' 22' ' ' LEU . 11.3 t -144.89 103.69 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.018 -1.051 . . . . 0.11 109.365 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 t -101.96 130.55 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.629 -0.878 . . . . 0.13 108.629 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 t -107.48 142.44 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.615 -0.678 . . . . 0.13 109.558 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -112.79 100.29 8.56 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.863 -0.791 . . . . 1.09 108.863 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -83.15 79.26 9.43 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.625 -1.25 . . . . 0.16 107.625 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.7 m -113.06 151.55 30.59 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.29 0.567 . . . . 0.63 109.662 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.75 130.99 43.9 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.33 -0.856 . . . . 0.21 109.246 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.8 t -67.9 -24.99 65.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.379 -0.826 . . . . 0.3 110.872 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.616 ' CZ3' ' CE2' ' B' ' 3' ' ' PHE . 57.7 p-90 -89.48 -16.69 30.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.952 -1.093 . . . . 0.3 110.885 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.6 126.42 39.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.05 -1.031 . . . . 0.24 109.675 -179.01 -155.558 177.609 112.943 104.282 2.023 103.756 163.414 -39.906 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -65.45 -57.66 10.97 Favored Glycine 0 N--CA 1.49 2.281 0 O-C-N 121.703 -0.623 . . . . 0.18 112.111 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 24.2 Cg_exo -45.89 -38.48 18.24 Favored 'Trans proline' 0 C--N 1.318 -1.061 0 C-N-CA 121.638 1.559 . . . . 0.17 111.913 -177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.38 -57.91 3.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.636 -1.29 . . . . 0.22 108.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -59.53 -16.88 27.76 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.562 -0.711 . . . . 1.78 109.977 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' GLY . 6.7 tpt -60.8 -28.31 68.68 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.308 -0.87 . . . . 1.65 110.189 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.5 mt -92.0 17.31 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.929 -1.107 . . . . 0.4 111.041 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -72.81 -31.36 1.5 Allowed Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 120.016 -1.678 . . . . 1.16 112.525 179.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 4.8 Cg_exo -66.83 2.66 1.92 Allowed 'Trans proline' 0 C--O 1.214 -0.685 0 CA-C-N 119.649 0.91 . . . . 0.25 110.006 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' LYS . 41.2 m-85 -118.48 -76.17 0.58 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 108.816 -0.809 . . . . 0.29 108.816 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -42.18 -56.87 2.72 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.628 -0.67 . . . . 0.16 110.356 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.81 -28.25 67.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.265 -0.897 . . . . 0.39 109.988 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 46' ' ' SER . 45.4 t -66.31 -41.65 89.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.902 -1.124 . . . . 1.32 109.833 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.0 mt -50.39 -16.73 0.37 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.066 -1.021 . . . . 0.21 109.381 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 44' ' ' SER . 21.7 m -55.94 -34.38 65.59 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.289 -0.882 . . . . 0.25 109.951 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.08 -18.08 21.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.167 -0.958 . . . . 2.02 110.458 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -90.82 -22.0 21.21 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.866 -1.146 . . . . 1.88 109.339 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -132.48 67.97 1.51 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.475 -0.766 . . . . 0.29 109.258 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 84.9 p -66.96 -3.82 8.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.858 . . . . 0.28 109.011 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -94.94 -1.95 51.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.434 -0.791 . . . . 1.15 109.74 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.5 t -117.57 151.2 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 O-C-N 121.538 -0.726 . . . . 0.2 109.339 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mm -100.4 129.54 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.462 -0.774 . . . . 0.16 109.241 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' C ' HD12 ' A' ' 55' ' ' LEU . 75.5 m-85 -115.1 131.04 57.06 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 109.018 -0.734 . . . . 0.19 109.018 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 54' ' ' PHE . 7.0 mp -112.87 173.04 6.57 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.335 -0.853 . . . . 0.14 109.011 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -143.98 144.71 31.8 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 107.867 -1.161 . . . . 1.16 107.867 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.5 t -141.93 138.99 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.127 -0.983 . . . . 0.26 110.589 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -97.95 100.47 11.81 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.792 -1.188 . . . . 1.12 107.792 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 m -57.42 -12.84 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.301 -0.874 . . . . 0.26 111.345 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -102.02 -41.86 6.3 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 120.924 -1.11 . . . . 1.21 111.167 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -92.42 -11.12 35.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.955 -1.091 . . . . 1.15 109.605 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -126.13 47.43 2.26 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 108.704 -0.85 . . . . 0.22 108.704 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.4 ' HG3' ' H ' ' A' ' 63' ' ' GLN . 1.9 mt-30 -56.06 -15.01 3.0 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.992 -1.067 . . . . 2.04 109.448 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.446 ' OD2' ' N ' ' A' ' 8' ' ' LYS . 2.1 p-10 -69.04 -38.44 79.15 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 120.987 -1.071 . . . . 1.11 108.979 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.6 t -75.96 -47.3 32.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.176 -1.046 . . . . 0.2 108.176 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.14 -33.88 76.8 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.476 -0.765 . . . . 0.21 109.118 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -63.11 -50.29 71.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.263 -0.898 . . . . 0.35 109.331 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.37 -35.98 82.62 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.282 -0.886 . . . . 2.38 109.72 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.661 ' HB1' HE22 ' A' ' 78' ' ' GLN . . . -86.62 -3.19 59.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.133 -0.979 . . . . 0.28 108.942 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 45.5 54.57 7.38 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.35 -0.844 . . . . 1.87 110.192 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.09 138.13 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 108.445 -0.946 . . . . 0.34 108.445 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -134.57 5.05 3.41 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.281 -0.887 . . . . 2.16 110.055 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HB1' ' CD ' ' B' ' 8' ' ' GLU . . . -152.72 121.07 6.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.183 -0.948 . . . . 0.3 108.498 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.544 HG23 ' CE2' ' B' ' 5' ' ' TYR . 34.2 p -106.57 150.6 39.78 Favored Pre-proline 0 N--CA 1.502 2.137 0 O-C-N 121.176 -0.952 . . . . 0.32 108.558 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -79.53 142.85 66.73 Favored 'Cis proline' 0 N--CA 1.484 0.951 0 N-CA-C 109.928 -0.835 . . . . 0.18 109.928 -1.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 73' ' ' ALA . 2.9 m -113.66 114.7 26.78 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 108.198 -1.038 . . . . 0.15 108.198 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.69 ' CD1' HD21 ' A' ' 97' ' ' LEU . 81.1 m-85 -89.41 118.66 29.23 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.16 109.289 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.661 HE22 ' HB1' ' A' ' 69' ' ' ALA . 37.4 mt-30 -115.03 136.36 53.21 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 107.915 -1.142 . . . . 1.19 107.915 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 79' ' ' PHE . 19.1 m-85 -110.99 124.77 52.81 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.491 -0.756 . . . . 0.15 109.798 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -123.24 157.63 32.69 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.957 -0.757 . . . . 0.27 108.957 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -153.93 124.19 6.96 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 106.943 -1.502 . . . . 1.5 106.943 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt 54.88 31.99 16.89 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.184 -0.947 . . . . 1.69 110.088 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.1 4.55 90.49 Favored Glycine 0 N--CA 1.495 2.577 0 C-N-CA 120.018 -1.087 . . . . 0.22 111.106 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -115.02 148.56 38.68 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.109 -1.23 . . . . 2.43 110.657 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -85.51 145.32 27.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.497 -0.752 . . . . 1.57 110.052 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 10.7 m -130.49 -23.41 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.381 -0.824 . . . . 0.3 110.292 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -171.98 175.37 45.32 Favored Glycine 0 N--CA 1.496 2.681 0 C-N-CA 119.461 -1.352 . . . . 0.21 110.294 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -174.74 152.58 1.62 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.273 -1.133 . . . . 1.94 110.277 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 5.5 p90 -169.24 132.64 1.31 Allowed 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 119.773 -0.771 . . . . 0.12 110.35 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.2 p -104.12 -168.12 1.45 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.391 -0.818 . . . . 0.15 108.898 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.6 130.51 3.63 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.261 -1.535 . . . . 0.16 109.261 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' HB2' ' C ' ' B' ' 9' ' ' GLY . . . -57.57 95.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.236 -1.155 . . . . 0.18 111.236 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -142.11 77.34 1.58 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 108.107 -1.071 . . . . 1.12 108.107 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.26 75.61 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.138 -0.976 . . . . 1.2 110.898 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -65.98 -28.43 68.88 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.949 -1.094 . . . . 1.85 109.885 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -69.94 -32.83 71.31 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.089 -1.007 . . . . 1.69 109.44 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD21 ' CD1' ' A' ' 77' ' ' PHE . 45.5 mt -52.83 -35.13 56.79 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.467 -1.396 . . . . 0.44 108.505 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -67.76 -55.51 12.81 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.848 . . . . 2.05 109.55 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.54 86.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.409 -0.807 . . . . 0.17 110.297 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.2 m -67.25 -45.25 77.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.141 -0.975 . . . . 0.17 109.77 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.2 mt -61.68 -50.43 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.977 -1.077 . . . . 0.17 108.694 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 102' ' ' ASN . 44.7 t-20 -63.51 -12.9 35.75 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.195 -0.941 . . . . 0.89 109.411 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -60.93 2.17 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.105 -0.997 . . . . 1.93 109.85 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.69 23.44 5.4 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.547 -0.721 . . . . 0.5 110.761 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.494 1.735 0 O-C-N 120.699 -1.251 . . . . 1.11 109.565 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' B' ' 1' ' ' PHE . 6.7 p90 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.444 -0.576 . . . . 3.44 109.444 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.571 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 79.6 mtt180 -143.51 70.82 1.31 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.088 -1.008 . . . . 1.8 110.284 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PHE . . . . . 0.616 ' CE2' ' CZ3' ' A' ' 31' ' ' TRP . 19.9 m-85 -118.95 145.7 45.57 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 121.16 -0.963 . . . . 0.48 108.568 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.407 ' HB3' ' CD1' ' B' ' 5' ' ' TYR . 0.0 OUTLIER -136.44 -97.77 0.22 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.319 -0.863 . . . . 1.67 109.088 -179.28 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.544 ' CE2' HG23 ' A' ' 74' ' ' THR . 1.8 p90 -117.31 -167.56 1.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.983 -1.073 . . . . 0.33 110.341 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 2.7 t -73.93 148.69 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 CA-C-O 121.895 0.855 . . . . 0.27 112.174 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -100.81 94.87 6.28 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 107.809 -1.182 . . . . 0.2 107.809 177.507 -39.906 163.414 112.943 103.756 2.023 104.282 177.609 -155.558 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.534 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 3.1 pt-20 -82.78 43.23 0.83 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.871 -1.143 . . . . 1.22 110.074 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.611 ' C ' ' H ' ' B' ' 11' ' ' SER . . . -70.24 -133.45 0.09 OUTLIER Glycine 0 N--CA 1.482 1.743 0 N-CA-C 106.401 -2.679 . . . . 0.16 106.401 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -66.74 23.12 0.1 Allowed 'Trans proline' 0 C--N 1.32 -0.939 0 CA-C-N 119.272 1.536 . . . . 0.25 109.479 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.611 ' H ' ' C ' ' B' ' 9' ' ' GLY . 34.2 t -84.12 -34.65 24.06 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.391 -0.966 . . . . 0.55 108.391 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' B' ' 13' ' ' GLY . 1.4 t60 -107.04 158.26 17.18 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.659 -0.867 . . . . 1.87 108.659 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.485 ' N ' ' ND1' ' B' ' 12' ' ' HIS . . . . . . . . 0 N--CA 1.492 2.369 0 CA-C-O 117.934 -1.481 . . . . 3.41 109.661 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HOH . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_