data_1be1_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 1be1 _Structure_validation_residue.Date_analyzed 2016-10-06 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 . . . . . . . . . . . . . 53.6 tpp . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -95.75 63.34 2.39 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.565 -2.562 . . . . 0.0 104.356 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -79.04 147.51 32.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.486 -2.143 . . . . 0.0 107.239 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.16 49.89 2.04 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 110.914 -2.857 . . . . 0.0 108.934 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.6 p -144.91 95.07 2.63 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 HG12 ' CE1' ' A' ' 32' ' ' PHE . 2.4 pp -114.09 128.65 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 CA-C-N 110.5 -3.045 . . . . 0.0 103.712 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.29 129.54 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.818 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -124.75 145.14 49.87 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.208 1.568 . . . . 0.0 106.897 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.21 15.63 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 112.429 -2.169 . . . . 0.0 110.821 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.286 2.8 t 48.34 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 111.41 -2.395 . . . . 0.0 113.012 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.14 -119.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.52 -157.72 18.16 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-O 124.116 1.954 . . . . 0.0 114.546 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -70.34 103.94 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 108.37 -3.915 . . . . 0.0 106.842 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -161.29 -42.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 110.463 -3.062 . . . . 0.0 105.141 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t 86.32 102.05 0.04 OUTLIER 'General case' 0 C--N 1.356 0.87 0 N-CA-C 104.216 -2.513 . . . . 0.0 104.216 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -96.2 53.46 1.35 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.071 -2.331 . . . . 0.0 106.838 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.77 54.35 2.31 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.82 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -77.89 -29.83 16.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.058 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.75 43.72 8.88 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 112.46 -2.155 . . . . 0.0 111.468 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -124.33 -67.89 0.89 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.37 -132.47 0.03 OUTLIER 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -115.17 -17.76 7.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.28 53.88 0.03 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 125.866 1.667 . . . . 0.0 108.016 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.33 78.77 3.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -171.26 46.17 0.02 OUTLIER 'General case' 0 C--N 1.35 0.609 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 m -164.88 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.503 -1.68 . . . . 0.0 106.499 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -68.2 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -74.22 -56.77 4.51 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.31 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.354 0.763 0 O-C-N 126.163 2.165 . . . . 0.0 109.889 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.38 18.87 19.4 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.17 38.57 96.74 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 124.287 0.992 . . . . 0.0 111.876 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' CE1' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.63 -175.53 3.01 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.9 114.36 9.91 Favored 'General case' 0 C--N 1.364 1.223 0 CA-C-N 114.583 -1.189 . . . . 0.0 108.363 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.23 115.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.026 -2.352 . . . . 0.0 106.948 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.2 t -138.71 154.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 O-C-N 124.727 1.267 . . . . 0.0 107.643 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -108.44 135.99 48.8 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 103.918 -2.623 . . . . 0.0 103.918 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 tp -89.86 -42.78 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.53 178.79 15.49 Favored Glycine 0 C--N 1.356 1.69 0 O-C-N 124.834 1.334 . . . . 0.0 110.847 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.62 178.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 112.733 -1.734 . . . . 0.0 110.054 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 42' ' ' SER . 16.9 tp 71.28 -104.18 0.04 OUTLIER 'General case' 0 C--N 1.353 0.732 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t 161.57 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.692 1.245 . . . . 0.0 108.382 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.409 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 13.8 p -30.42 92.27 0.01 OUTLIER 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.595 3.158 . . . . 0.0 108.991 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.55 -33.48 71.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 110.73 -2.941 . . . . 0.0 110.75 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.66 -46.37 75.93 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.313 1.008 . . . . 0.0 110.247 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -78.66 -21.57 48.1 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -90.11 6.32 42.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.958 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -88.26 -31.33 5.64 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 N-CA-C 103.158 -2.904 . . . . 0.0 103.158 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -74.71 -28.99 61.03 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 113.334 -1.757 . . . . 0.0 106.57 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.84 -2.11 58.32 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.12 -13.51 38.35 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.54 -34.11 17.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.71 -71.41 0.18 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 113.19 -1.823 . . . . 0.0 107.763 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.46 -67.87 0.72 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 122.358 1.075 . . . . 0.0 109.153 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 tttt 80.59 48.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 101.122 -3.658 . . . . 0.0 101.122 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.28 136.0 57.91 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 109.705 -3.407 . . . . 0.0 109.902 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 -33.31 15.75 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 108.863 -3.79 . . . . 0.0 104.86 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.447 ' HG ' ' SG ' ' A' ' 59' ' ' CYS . 35.4 tp -112.09 95.5 5.5 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.5 mt -99.41 108.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.447 ' SG ' ' HG ' ' A' ' 57' ' ' LEU . 68.9 m -120.89 140.55 51.65 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.453 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.38 124.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 111.025 -2.807 . . . . 0.0 104.436 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.11 68.74 1.47 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 t -107.24 118.86 37.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.471 -3.513 . . . . 0.0 104.173 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -89.86 64.97 6.57 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 113.276 -1.784 . . . . 0.0 108.234 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 t80 70.66 8.45 6.58 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.232 -1.803 . . . . 0.0 109.974 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.16 -13.87 80.91 Favored Glycine 0 CA--C 1.549 2.203 0 C-N-CA 118.522 -1.799 . . . . 0.0 109.59 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.65 -42.01 71.39 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.29 47.8 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.809 -2.45 . . . . 0.0 107.9 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.1 -8.58 57.73 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.376 -0.912 . . . . 0.0 108.659 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.05 -54.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.81 -11.76 59.91 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.11 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.85 -38.17 64.56 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -88.89 8.69 27.99 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 113.102 -1.863 . . . . 0.0 108.992 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.76 -38.13 7.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.9 mt -81.02 -18.28 47.33 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.11 -1.545 . . . . 0.0 107.314 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -72.52 -28.52 62.91 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.56 -15.31 40.3 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.41 1.069 . . . . 0.0 109.605 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -81.85 -22.64 36.87 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 86' ' ' ILE . 8.8 t -90.36 -44.38 9.7 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.162 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.51 3.77 12.74 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 109.224 -3.626 . . . . 0.0 108.154 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -77.3 -56.02 4.91 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 70.8 -3.41 1.98 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.157 -3.201 . . . . 0.0 109.691 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -44.73 6.7 Favored Glycine 0 C--N 1.352 1.43 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.47 139.64 42.92 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 102.887 -3.005 . . . . 0.0 102.887 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -168.78 1.02 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.25 46.9 1.78 Allowed Glycine 0 C--N 1.344 0.975 0 N-CA-C 107.577 -2.209 . . . . 0.0 107.577 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 HG22 ' SG ' ' A' ' 78' ' ' CYS . 36.2 mm -70.75 -25.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 110.638 -2.781 . . . . 0.0 107.221 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -109.9 122.36 47.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.222 -1.808 . . . . 0.0 106.854 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.74 165.4 15.87 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 111.043 -2.799 . . . . 0.0 103.776 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.416 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -140.25 111.7 7.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 102.2 -3.259 . . . . 0.0 102.2 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.7 t -89.78 88.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 CA-C-N 112.765 -2.016 . . . . 0.0 110.728 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' A' ' 117' ' ' TYR . . . -73.16 138.26 25.13 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.487 -2.597 . . . . 0.0 109.901 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.79 -76.63 2.21 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 111.998 -2.101 . . . . 0.0 108.365 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.46 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.353 0.75 0 CA-C-N 111.636 -2.282 . . . . 0.0 105.495 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.7 mm -109.74 -123.07 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -135.68 -148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.551 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.27 107.0 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.837 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.46 115.59 0.33 Allowed Glycine 0 C--N 1.35 1.309 0 CA-C-N 112.75 -2.023 . . . . 0.0 109.142 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -132.19 -58.23 0.95 Allowed 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -80.75 106.73 12.99 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 70.25 64.6 0.21 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.218 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.8 177.45 2.94 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.687 -2.052 . . . . 0.0 106.11 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -67.11 167.52 19.84 Favored 'Trans proline' 0 C--N 1.369 1.633 0 CA-C-O 125.225 2.094 . . . . 0.0 112.58 -176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.22 -8.16 54.62 Favored 'General case' 0 C--N 1.349 0.585 1 CA-C-N 107.974 -4.193 . . . . 0.0 108.318 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' CG1' ' H ' ' A' ' 105' ' ' GLU . 7.2 p -54.07 -76.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.102 0 O-C-N 124.597 1.186 . . . . 0.0 108.716 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' H ' ' CG1' ' A' ' 104' ' ' VAL 0.26 19.8 mt-10 -90.73 20.8 4.44 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.741 1.276 . . . . 0.0 108.965 179.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -70.55 -39.94 73.69 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.14 -30.94 17.31 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.969 -2.378 . . . . 0.0 108.944 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -83.02 -26.45 31.2 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 118.219 -1.392 . . . . 0.0 109.371 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -90.27 -4.88 56.89 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.64 79.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -49.03 7.6 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 103.039 -2.949 . . . . 0.0 103.039 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 36.23 60.05 0.93 Allowed Glycine 0 C--N 1.37 2.454 0 O-C-N 124.716 1.26 . . . . 0.0 114.392 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.47 64.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 111.801 -2.199 . . . . 0.0 108.062 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -105.8 169.37 8.52 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 127.266 2.226 . . . . 0.0 107.156 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.59 -169.99 1.56 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 102.492 -3.151 . . . . 0.0 102.492 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.1 151.09 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.409 ' CD1' ' HA2' ' A' ' 91' ' ' GLY . 2.4 m-85 -99.1 152.2 37.69 Favored Pre-proline 0 C--N 1.357 0.9 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -72.66 168.53 24.23 Favored 'Trans proline' 0 C--N 1.369 1.622 0 N-CA-C 105.551 -2.519 . . . . 0.0 105.551 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.41 -7.47 21.04 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.272 1.982 . . . . 0.0 109.683 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.57 84.15 0.21 Allowed Glycine 0 C--N 1.352 1.462 0 N-CA-C 105.729 -2.949 . . . . 0.0 105.729 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 t -69.67 157.08 37.94 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 124.067 1.889 . . . . 0.0 109.019 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.99 176.77 2.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 108.652 -3.885 . . . . 0.0 101.007 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.52 4.5 6.32 Favored 'Trans proline' 0 C--N 1.366 1.451 0 N-CA-C 108.009 -1.573 . . . . 0.0 108.009 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.62 -24.79 60.08 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.19 -43.36 34.02 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 112.76 -2.018 . . . . 0.0 106.887 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . 0.299 0.1 OUTLIER -86.31 -0.82 56.71 Favored 'General case' 0 C--N 1.363 1.195 0 O-C-N 124.595 1.184 . . . . 0.0 110.925 -178.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.49 -31.3 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.79 -13.12 43.11 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.833 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -63.31 1.1 Allowed 'General case' 0 C--N 1.362 1.118 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.412 ' SD ' ' N ' ' A' ' 130' ' ' MET . 1.2 mpp? -66.68 -14.93 63.1 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.475 -3.057 . . . . 0.0 110.568 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -82.07 -71.77 0.47 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 117.108 -1.837 . . . . 0.0 109.859 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -25.96 67.68 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.26 -1.791 . . . . 0.0 111.157 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . 0.363 36.8 t -86.32 -12.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.29 -37.19 84.85 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 103.773 -2.676 . . . . 0.0 103.773 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 179.92 -48.22 0.08 OUTLIER Glycine 0 C--N 1.355 1.609 0 CA-C-N 113.264 -1.789 . . . . 0.0 111.58 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.5 t -160.2 166.75 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 112.724 -1.738 . . . . 0.0 106.921 -177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.321 178.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 tpp . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -95.75 63.34 2.39 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.565 -2.562 . . . . 0.0 104.356 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -79.04 147.51 32.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.486 -2.143 . . . . 0.0 107.239 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.16 49.89 2.04 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 110.914 -2.857 . . . . 0.0 108.934 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.6 p -144.91 95.07 2.63 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.459 HG12 ' CE1' ' A' ' 32' ' ' PHE . 2.4 pp -114.09 128.65 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 CA-C-N 110.5 -3.045 . . . . 0.0 103.712 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 37' ' ' ILE . 3.5 p -130.29 129.54 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.818 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -124.75 145.14 49.87 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.208 1.568 . . . . 0.0 106.897 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.21 15.63 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 112.429 -2.169 . . . . 0.0 110.821 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.286 2.8 t 48.34 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 111.41 -2.395 . . . . 0.0 113.012 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.14 -119.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.52 -157.72 18.16 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-O 124.116 1.954 . . . . 0.0 114.546 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -70.34 103.94 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 108.37 -3.915 . . . . 0.0 106.842 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -161.29 -42.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 110.463 -3.062 . . . . 0.0 105.141 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t 86.32 102.05 0.04 OUTLIER 'General case' 0 C--N 1.356 0.87 0 N-CA-C 104.216 -2.513 . . . . 0.0 104.216 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -96.2 53.46 1.35 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.071 -2.331 . . . . 0.0 106.838 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.77 54.35 2.31 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.82 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -77.89 -29.83 16.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.058 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.75 43.72 8.88 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 112.46 -2.155 . . . . 0.0 111.468 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -124.33 -67.89 0.89 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.37 -132.47 0.03 OUTLIER 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -115.17 -17.76 7.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.28 53.88 0.03 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 125.866 1.667 . . . . 0.0 108.016 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.33 78.77 3.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -171.26 46.17 0.02 OUTLIER 'General case' 0 C--N 1.35 0.609 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' H ' ' H ' ' A' ' 27' ' ' PHE . 1.4 m -164.88 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.503 -1.68 . . . . 0.0 106.499 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' H ' ' H ' ' A' ' 26' ' ' SER . 58.2 t80 -68.2 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -74.22 -56.77 4.51 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.31 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.354 0.763 0 O-C-N 126.163 2.165 . . . . 0.0 109.889 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.38 18.87 19.4 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.17 38.57 96.74 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 124.287 0.992 . . . . 0.0 111.876 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' CE1' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.63 -175.53 3.01 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.9 114.36 9.91 Favored 'General case' 0 C--N 1.364 1.223 0 CA-C-N 114.583 -1.189 . . . . 0.0 108.363 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.23 115.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.026 -2.352 . . . . 0.0 106.948 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.2 t -138.71 154.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 O-C-N 124.727 1.267 . . . . 0.0 107.643 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -108.44 135.99 48.8 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 103.918 -2.623 . . . . 0.0 103.918 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 ' HB ' HG22 ' A' ' 7' ' ' VAL . 4.3 tp -89.86 -42.78 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.53 178.79 15.49 Favored Glycine 0 C--N 1.356 1.69 0 O-C-N 124.834 1.334 . . . . 0.0 110.847 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.62 178.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 112.733 -1.734 . . . . 0.0 110.054 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 42' ' ' SER . 16.9 tp 71.28 -104.18 0.04 OUTLIER 'General case' 0 C--N 1.353 0.732 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t 161.57 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.692 1.245 . . . . 0.0 108.382 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.427 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 13.8 p -30.42 92.27 0.01 OUTLIER 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.595 3.158 . . . . 0.0 108.991 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.55 -33.48 71.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 110.73 -2.941 . . . . 0.0 110.75 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.66 -46.37 75.93 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.313 1.008 . . . . 0.0 110.247 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -78.66 -21.57 48.1 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -90.11 6.32 42.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.958 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -88.26 -31.33 5.64 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 N-CA-C 103.158 -2.904 . . . . 0.0 103.158 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -74.71 -28.99 61.03 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 113.334 -1.757 . . . . 0.0 106.57 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.84 -2.11 58.32 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.12 -13.51 38.35 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.54 -34.11 17.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.71 -71.41 0.18 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 113.19 -1.823 . . . . 0.0 107.763 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.46 -67.87 0.72 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 122.358 1.075 . . . . 0.0 109.153 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 tttt 80.59 48.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 101.122 -3.658 . . . . 0.0 101.122 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.28 136.0 57.91 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 109.705 -3.407 . . . . 0.0 109.902 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 -33.31 15.75 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 108.863 -3.79 . . . . 0.0 104.86 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HG ' ' SG ' ' A' ' 59' ' ' CYS . 35.4 tp -112.09 95.5 5.5 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.5 mt -99.41 108.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' SG ' ' HG ' ' A' ' 57' ' ' LEU . 68.9 m -120.89 140.55 51.65 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.453 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.38 124.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 111.025 -2.807 . . . . 0.0 104.436 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.11 68.74 1.47 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 t -107.24 118.86 37.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.471 -3.513 . . . . 0.0 104.173 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -89.86 64.97 6.57 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 113.276 -1.784 . . . . 0.0 108.234 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 t80 70.66 8.45 6.58 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.232 -1.803 . . . . 0.0 109.974 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.16 -13.87 80.91 Favored Glycine 0 CA--C 1.549 2.203 0 C-N-CA 118.522 -1.799 . . . . 0.0 109.59 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.65 -42.01 71.39 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.29 47.8 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.809 -2.45 . . . . 0.0 107.9 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.1 -8.58 57.73 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.376 -0.912 . . . . 0.0 108.659 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.05 -54.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.81 -11.76 59.91 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.11 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.85 -38.17 64.56 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -88.89 8.69 27.99 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 113.102 -1.863 . . . . 0.0 108.992 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.76 -38.13 7.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.9 mt -81.02 -18.28 47.33 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.11 -1.545 . . . . 0.0 107.314 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -72.52 -28.52 62.91 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.56 -15.31 40.3 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.41 1.069 . . . . 0.0 109.605 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -81.85 -22.64 36.87 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 86' ' ' ILE . 8.8 t -90.36 -44.38 9.7 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.162 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.51 3.77 12.74 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 109.224 -3.626 . . . . 0.0 108.154 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -77.3 -56.02 4.91 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 70.8 -3.41 1.98 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.157 -3.201 . . . . 0.0 109.691 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -44.73 6.7 Favored Glycine 0 C--N 1.352 1.43 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.47 139.64 42.92 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 102.887 -3.005 . . . . 0.0 102.887 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' HD2' ' H ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.28 -168.78 1.02 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 179.52 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.25 46.9 1.78 Allowed Glycine 0 C--N 1.344 0.975 0 N-CA-C 107.577 -2.209 . . . . 0.0 107.577 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.441 HG23 ' SG ' ' A' ' 78' ' ' CYS . 36.2 mm -70.75 -25.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 110.638 -2.781 . . . . 0.0 107.221 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' C ' HD22 ' A' ' 88' ' ' LEU . 67.4 mttm -109.9 122.36 47.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.222 -1.808 . . . . 0.0 106.854 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.526 ' N ' HD22 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -121.74 165.4 15.87 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 111.043 -2.799 . . . . 0.0 103.776 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -140.25 111.7 7.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 102.2 -3.259 . . . . 0.0 102.2 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.7 t -89.78 88.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 CA-C-N 112.765 -2.016 . . . . 0.0 110.728 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' HA2' ' CD1' ' A' ' 117' ' ' TYR . . . -73.16 138.26 25.13 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.487 -2.597 . . . . 0.0 109.901 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.79 -76.63 2.21 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 111.998 -2.101 . . . . 0.0 108.365 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.46 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.353 0.75 0 CA-C-N 111.636 -2.282 . . . . 0.0 105.495 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 104' ' ' VAL . 15.7 mm -109.74 -123.07 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -135.68 -148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.551 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.27 107.0 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.837 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.46 115.59 0.33 Allowed Glycine 0 C--N 1.35 1.309 0 CA-C-N 112.75 -2.023 . . . . 0.0 109.142 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -132.19 -58.23 0.95 Allowed 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -80.75 106.73 12.99 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 70.25 64.6 0.21 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.218 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.8 177.45 2.94 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.687 -2.052 . . . . 0.0 106.11 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.638 ' HB2' HG12 ' A' ' 104' ' ' VAL . 4.8 Cg_exo -67.11 167.52 19.84 Favored 'Trans proline' 0 C--N 1.369 1.633 0 CA-C-O 125.225 2.094 . . . . 0.0 112.58 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.22 -8.16 54.62 Favored 'General case' 0 C--N 1.349 0.585 1 CA-C-N 107.974 -4.193 . . . . 0.0 108.318 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.793 HG13 ' H ' ' A' ' 105' ' ' GLU . 7.2 p -54.07 -76.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.102 0 O-C-N 124.597 1.186 . . . . 0.0 108.716 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.793 ' H ' HG13 ' A' ' 104' ' ' VAL 0.26 19.8 mt-10 -90.73 20.8 4.44 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.741 1.276 . . . . 0.0 108.965 179.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -70.55 -39.94 73.69 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.14 -30.94 17.31 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.969 -2.378 . . . . 0.0 108.944 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -83.02 -26.45 31.2 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 118.219 -1.392 . . . . 0.0 109.371 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -90.27 -4.88 56.89 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.64 79.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -49.03 7.6 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 103.039 -2.949 . . . . 0.0 103.039 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 36.23 60.05 0.93 Allowed Glycine 0 C--N 1.37 2.454 0 O-C-N 124.716 1.26 . . . . 0.0 114.392 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.47 64.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 111.801 -2.199 . . . . 0.0 108.062 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 88' ' ' LEU . 3.7 p30 -105.8 169.37 8.52 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 127.266 2.226 . . . . 0.0 107.156 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.431 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -110.59 -169.99 1.56 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 102.492 -3.151 . . . . 0.0 102.492 173.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.1 151.09 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.449 ' CD1' ' HA2' ' A' ' 91' ' ' GLY . 2.4 m-85 -99.1 152.2 37.69 Favored Pre-proline 0 C--N 1.357 0.9 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -72.66 168.53 24.23 Favored 'Trans proline' 0 C--N 1.369 1.622 0 N-CA-C 105.551 -2.519 . . . . 0.0 105.551 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.41 -7.47 21.04 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.272 1.982 . . . . 0.0 109.683 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.57 84.15 0.21 Allowed Glycine 0 C--N 1.352 1.462 0 N-CA-C 105.729 -2.949 . . . . 0.0 105.729 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 t -69.67 157.08 37.94 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 124.067 1.889 . . . . 0.0 109.019 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.99 176.77 2.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 108.652 -3.885 . . . . 0.0 101.007 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.52 4.5 6.32 Favored 'Trans proline' 0 C--N 1.366 1.451 0 N-CA-C 108.009 -1.573 . . . . 0.0 108.009 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.62 -24.79 60.08 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.19 -43.36 34.02 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 112.76 -2.018 . . . . 0.0 106.887 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . 0.299 0.1 OUTLIER -86.31 -0.82 56.71 Favored 'General case' 0 C--N 1.363 1.195 0 O-C-N 124.595 1.184 . . . . 0.0 110.925 -178.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.49 -31.3 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.79 -13.12 43.11 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.833 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -63.31 1.1 Allowed 'General case' 0 C--N 1.362 1.118 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 130' ' ' MET . 1.2 mpp? -66.68 -14.93 63.1 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.475 -3.057 . . . . 0.0 110.568 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -82.07 -71.77 0.47 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 117.108 -1.837 . . . . 0.0 109.859 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -25.96 67.68 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.26 -1.791 . . . . 0.0 111.157 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . 0.363 36.8 t -86.32 -12.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.29 -37.19 84.85 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 103.773 -2.676 . . . . 0.0 103.773 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 179.92 -48.22 0.08 OUTLIER Glycine 0 C--N 1.355 1.609 0 CA-C-N 113.264 -1.789 . . . . 0.0 111.58 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 137' ' ' GLU . 16.5 t -160.2 166.75 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 112.724 -1.738 . . . . 0.0 106.921 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.408 ' N ' HG12 ' A' ' 136' ' ' VAL . 14.0 pt-20 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.321 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 tpp . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -95.75 63.34 2.39 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.565 -2.562 . . . . 0.0 104.356 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -79.04 147.51 32.81 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.486 -2.143 . . . . 0.0 107.239 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.16 49.89 2.04 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-N 110.914 -2.857 . . . . 0.0 108.934 -175.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.6 p -144.91 95.07 2.63 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 105.41 -2.07 . . . . 0.0 105.41 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.459 HG12 ' CE1' ' A' ' 32' ' ' PHE . 2.4 pp -114.09 128.65 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.952 0 CA-C-N 110.5 -3.045 . . . . 0.0 103.712 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 37' ' ' ILE . 3.5 p -130.29 129.54 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.818 178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 tt -124.75 145.14 49.87 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 125.208 1.568 . . . . 0.0 106.897 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.71 -179.21 15.63 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 112.429 -2.169 . . . . 0.0 110.821 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . 0.286 2.8 t 48.34 -110.19 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 111.41 -2.395 . . . . 0.0 113.012 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.1 mm -84.14 -119.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 105.747 -1.945 . . . . 0.0 105.747 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.52 -157.72 18.16 Favored Glycine 0 C--N 1.353 1.52 0 CA-C-O 124.116 1.954 . . . . 0.0 114.546 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.6 m -70.34 103.94 2.55 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 108.37 -3.915 . . . . 0.0 106.842 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -161.29 -42.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 110.463 -3.062 . . . . 0.0 105.141 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t 86.32 102.05 0.04 OUTLIER 'General case' 0 C--N 1.356 0.87 0 N-CA-C 104.216 -2.513 . . . . 0.0 104.216 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -96.2 53.46 1.35 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.071 -2.331 . . . . 0.0 106.838 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.77 54.35 2.31 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.916 -1.947 . . . . 0.0 107.82 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.7 t -77.89 -29.83 16.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.058 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 80.75 43.72 8.88 Favored Glycine 0 C--N 1.348 1.21 0 CA-C-N 112.46 -2.155 . . . . 0.0 111.468 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -124.33 -67.89 0.89 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.544 -2.021 . . . . 0.0 105.544 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.37 -132.47 0.03 OUTLIER 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -115.17 -17.76 7.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.28 53.88 0.03 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 125.866 1.667 . . . . 0.0 108.016 178.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -95.33 78.77 3.45 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -171.26 46.17 0.02 OUTLIER 'General case' 0 C--N 1.35 0.609 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' H ' ' H ' ' A' ' 27' ' ' PHE . 1.4 m -164.88 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.503 -1.68 . . . . 0.0 106.499 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' H ' ' H ' ' A' ' 26' ' ' SER . 58.2 t80 -68.2 -89.02 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.523 -2.029 . . . . 0.0 105.523 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 p -74.22 -56.77 4.51 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 63.31 -78.08 0.03 OUTLIER 'General case' 0 C--N 1.354 0.763 0 O-C-N 126.163 2.165 . . . . 0.0 109.889 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.38 18.87 19.4 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.17 38.57 96.74 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 124.287 0.992 . . . . 0.0 111.876 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' CE1' HG12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -99.63 -175.53 3.01 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -71.9 114.36 9.91 Favored 'General case' 0 C--N 1.364 1.223 0 CA-C-N 114.583 -1.189 . . . . 0.0 108.363 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.23 115.75 42.13 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.026 -2.352 . . . . 0.0 106.948 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.2 t -138.71 154.47 26.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 O-C-N 124.727 1.267 . . . . 0.0 107.643 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -108.44 135.99 48.8 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 103.918 -2.623 . . . . 0.0 103.918 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 ' HB ' HG22 ' A' ' 7' ' ' VAL . 4.3 tp -89.86 -42.78 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 106.151 -1.796 . . . . 0.0 106.151 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.53 178.79 15.49 Favored Glycine 0 C--N 1.356 1.69 0 O-C-N 124.834 1.334 . . . . 0.0 110.847 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.62 178.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 112.733 -1.734 . . . . 0.0 110.054 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 42' ' ' SER . 16.9 tp 71.28 -104.18 0.04 OUTLIER 'General case' 0 C--N 1.353 0.732 0 N-CA-C 105.63 -1.989 . . . . 0.0 105.63 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t 161.57 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.692 1.245 . . . . 0.0 108.382 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.427 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 13.8 p -30.42 92.27 0.01 OUTLIER 'General case' 0 C--N 1.365 1.241 0 C-N-CA 129.595 3.158 . . . . 0.0 108.991 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.55 -33.48 71.45 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 110.73 -2.941 . . . . 0.0 110.75 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -66.66 -46.37 75.93 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 124.313 1.008 . . . . 0.0 110.247 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -78.66 -21.57 48.1 Favored 'General case' 0 C--N 1.347 0.497 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -90.11 6.32 42.99 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 114.293 -1.321 . . . . 0.0 107.958 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tt -88.26 -31.33 5.64 Favored 'Isoleucine or valine' 0 C--N 1.36 1.048 0 N-CA-C 103.158 -2.904 . . . . 0.0 103.158 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -74.71 -28.99 61.03 Favored 'General case' 0 C--N 1.359 1.005 0 CA-C-N 113.334 -1.757 . . . . 0.0 106.57 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.84 -2.11 58.32 Favored 'General case' 0 C--N 1.36 1.055 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.12 -13.51 38.35 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -78.54 -34.11 17.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 104.695 -2.335 . . . . 0.0 104.695 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.71 -71.41 0.18 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 113.19 -1.823 . . . . 0.0 107.763 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.46 -67.87 0.72 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 122.358 1.075 . . . . 0.0 109.153 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.5 tttt 80.59 48.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 101.122 -3.658 . . . . 0.0 101.122 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.28 136.0 57.91 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 109.705 -3.407 . . . . 0.0 109.902 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -90.8 -33.31 15.75 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 108.863 -3.79 . . . . 0.0 104.86 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HG ' ' SG ' ' A' ' 59' ' ' CYS . 35.4 tp -112.09 95.5 5.5 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 80.5 mt -99.41 108.51 22.65 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' SG ' ' HG ' ' A' ' 57' ' ' LEU . 68.9 m -120.89 140.55 51.65 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 113.512 -1.676 . . . . 0.0 107.453 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.38 124.2 17.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 111.025 -2.807 . . . . 0.0 104.436 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.11 68.74 1.47 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 103.444 -2.799 . . . . 0.0 103.444 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.6 t -107.24 118.86 37.84 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.471 -3.513 . . . . 0.0 104.173 -176.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -89.86 64.97 6.57 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 113.276 -1.784 . . . . 0.0 108.234 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 21.8 t80 70.66 8.45 6.58 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.232 -1.803 . . . . 0.0 109.974 177.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.16 -13.87 80.91 Favored Glycine 0 CA--C 1.549 2.203 0 C-N-CA 118.522 -1.799 . . . . 0.0 109.59 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -70.65 -42.01 71.39 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.24 171.29 47.8 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.809 -2.45 . . . . 0.0 107.9 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.1 -8.58 57.73 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 114.376 -0.912 . . . . 0.0 108.659 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.05 -54.49 10.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.81 -11.76 59.91 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.11 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.85 -38.17 64.56 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -88.89 8.69 27.99 Favored 'General case' 0 C--N 1.364 1.202 0 CA-C-N 113.102 -1.863 . . . . 0.0 108.992 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -87.76 -38.13 7.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 108.715 -1.754 . . . . 0.0 108.715 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.9 mt -81.02 -18.28 47.33 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.11 -1.545 . . . . 0.0 107.314 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -72.52 -28.52 62.91 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.56 -15.31 40.3 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.41 1.069 . . . . 0.0 109.605 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -81.85 -22.64 36.87 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 86' ' ' ILE . 8.8 t -90.36 -44.38 9.7 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.162 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -77.51 3.77 12.74 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 109.224 -3.626 . . . . 0.0 108.154 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -77.3 -56.02 4.91 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 70.8 -3.41 1.98 Allowed 'General case' 0 C--N 1.355 0.818 0 CA-C-N 110.157 -3.201 . . . . 0.0 109.691 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -83.69 -44.73 6.7 Favored Glycine 0 C--N 1.352 1.43 0 N-CA-C 106.981 -2.448 . . . . 0.0 106.981 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -108.47 139.64 42.92 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 102.887 -3.005 . . . . 0.0 102.887 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.477 ' H ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -76.28 -168.78 1.02 Allowed 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 179.52 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.25 46.9 1.78 Allowed Glycine 0 C--N 1.344 0.975 0 N-CA-C 107.577 -2.209 . . . . 0.0 107.577 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.441 HG23 ' SG ' ' A' ' 78' ' ' CYS . 36.2 mm -70.75 -25.35 26.15 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-N 110.638 -2.781 . . . . 0.0 107.221 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' C ' HD22 ' A' ' 88' ' ' LEU . 67.4 mttm -109.9 122.36 47.36 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 113.222 -1.808 . . . . 0.0 106.854 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -121.74 165.4 15.87 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 111.043 -2.799 . . . . 0.0 103.776 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 115' ' ' ARG . 0.1 OUTLIER -140.25 111.7 7.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 102.2 -3.259 . . . . 0.0 102.2 177.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 18.7 t -89.78 88.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 CA-C-N 112.765 -2.016 . . . . 0.0 110.728 -176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.449 ' HA2' ' CD1' ' A' ' 117' ' ' TYR . . . -73.16 138.26 25.13 Favored Glycine 0 C--N 1.346 1.104 0 CA-C-N 111.487 -2.597 . . . . 0.0 109.901 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.79 -76.63 2.21 Favored Glycine 0 C--N 1.351 1.378 0 CA-C-N 111.998 -2.101 . . . . 0.0 108.365 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.46 -84.05 0.03 OUTLIER 'General case' 0 C--N 1.353 0.75 0 CA-C-N 111.636 -2.282 . . . . 0.0 105.495 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.604 HD11 HG11 ' A' ' 104' ' ' VAL . 15.7 mm -109.74 -123.07 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -135.68 -148.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.551 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.27 107.0 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.837 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.46 115.59 0.33 Allowed Glycine 0 C--N 1.35 1.309 0 CA-C-N 112.75 -2.023 . . . . 0.0 109.142 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -132.19 -58.23 0.95 Allowed 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -80.75 106.73 12.99 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 70.25 64.6 0.21 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.563 -2.108 . . . . 0.0 106.218 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.8 177.45 2.94 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.687 -2.052 . . . . 0.0 106.11 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.638 ' HB2' HG12 ' A' ' 104' ' ' VAL . 4.8 Cg_exo -67.11 167.52 19.84 Favored 'Trans proline' 0 C--N 1.369 1.633 0 CA-C-O 125.225 2.094 . . . . 0.0 112.58 -176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -73.22 -8.16 54.62 Favored 'General case' 0 C--N 1.349 0.585 1 CA-C-N 107.974 -4.193 . . . . 0.0 108.318 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.793 HG13 ' H ' ' A' ' 105' ' ' GLU . 7.2 p -54.07 -76.7 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.102 0 O-C-N 124.597 1.186 . . . . 0.0 108.716 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.793 ' H ' HG13 ' A' ' 104' ' ' VAL 0.26 19.8 mt-10 -90.73 20.8 4.44 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 124.741 1.276 . . . . 0.0 108.965 179.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -70.55 -39.94 73.69 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 104.234 -2.506 . . . . 0.0 104.234 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.14 -30.94 17.31 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.969 -2.378 . . . . 0.0 108.944 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 -83.02 -26.45 31.2 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 118.219 -1.392 . . . . 0.0 109.371 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -90.27 -4.88 56.89 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.64 79.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -49.03 7.6 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 103.039 -2.949 . . . . 0.0 103.039 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 36.23 60.05 0.93 Allowed Glycine 0 C--N 1.37 2.454 0 O-C-N 124.716 1.26 . . . . 0.0 114.392 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -20.47 64.1 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 111.801 -2.199 . . . . 0.0 108.062 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 88' ' ' LEU . 3.7 p30 -105.8 169.37 8.52 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 127.266 2.226 . . . . 0.0 107.156 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.431 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -110.59 -169.99 1.56 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 102.492 -3.151 . . . . 0.0 102.492 173.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -140.1 151.09 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.449 ' CD1' ' HA2' ' A' ' 91' ' ' GLY . 2.4 m-85 -99.1 152.2 37.69 Favored Pre-proline 0 C--N 1.357 0.9 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -72.66 168.53 24.23 Favored 'Trans proline' 0 C--N 1.369 1.622 0 N-CA-C 105.551 -2.519 . . . . 0.0 105.551 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.41 -7.47 21.04 Favored 'Trans proline' 0 C--N 1.369 1.623 0 C-N-CA 122.272 1.982 . . . . 0.0 109.683 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -141.57 84.15 0.21 Allowed Glycine 0 C--N 1.352 1.462 0 N-CA-C 105.729 -2.949 . . . . 0.0 105.729 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 t -69.67 157.08 37.94 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 124.067 1.889 . . . . 0.0 109.019 -177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.99 176.77 2.19 Favored Pre-proline 0 CA--C 1.549 0.921 0 CA-C-N 108.652 -3.885 . . . . 0.0 101.007 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.52 4.5 6.32 Favored 'Trans proline' 0 C--N 1.366 1.451 0 N-CA-C 108.009 -1.573 . . . . 0.0 108.009 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -73.62 -24.79 60.08 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.19 -43.36 34.02 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 112.76 -2.018 . . . . 0.0 106.887 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . 0.299 0.1 OUTLIER -86.31 -0.82 56.71 Favored 'General case' 0 C--N 1.363 1.195 0 O-C-N 124.595 1.184 . . . . 0.0 110.925 -178.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.49 -31.3 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 174.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.79 -13.12 43.11 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.833 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.43 -63.31 1.1 Allowed 'General case' 0 C--N 1.362 1.118 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.412 ' N ' ' SD ' ' A' ' 130' ' ' MET . 1.2 mpp? -66.68 -14.93 63.1 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.475 -3.057 . . . . 0.0 110.568 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -82.07 -71.77 0.47 Allowed 'General case' 0 C--N 1.352 0.708 0 C-N-CA 117.108 -1.837 . . . . 0.0 109.859 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -61.6 -25.96 67.68 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 113.26 -1.791 . . . . 0.0 111.157 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . 0.363 36.8 t -86.32 -12.18 11.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.29 -37.19 84.85 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 103.773 -2.676 . . . . 0.0 103.773 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 179.92 -48.22 0.08 OUTLIER Glycine 0 C--N 1.355 1.609 0 CA-C-N 113.264 -1.789 . . . . 0.0 111.58 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 137' ' ' GLU . 16.5 t -160.2 166.75 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 112.724 -1.738 . . . . 0.0 106.921 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.408 ' N ' HG12 ' A' ' 136' ' ' VAL . 14.0 pt-20 . . . . . 0 C--N 1.353 0.739 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.321 178.981 . . . . . . . . 1 1 . 1 stop_ save_