data_1sh1_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 1sh1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.93 121.91 24.11 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 113.996 -1.457 . . . . 0.0 113.063 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t -116.96 146.22 43.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 112.753 -2.021 . . . . 0.0 111.148 -178.723 -178.395 172.73 89.283 101.917 2.045 104.338 -155.475 -60.749 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -87.05 140.27 29.72 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.047 -1.888 . . . . 0.0 110.379 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.76 129.12 47.87 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.144 -69.107 -109.341 94.47 101.434 2.045 104.681 -132.031 -115.683 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.36 -48.49 19.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 112.733 -2.031 . . . . 0.0 109.02 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -81.96 72.12 9.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 123.25 1.5 . . . . 0.0 108.569 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -77.91 73.04 4.47 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 112.765 -2.016 . . . . 0.0 110.667 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.77 157.67 20.92 Favored Glycine 0 N--CA 1.47 0.96 0 CA-C-N 112.152 -2.295 . . . . 0.0 113.77 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -58.17 -12.96 14.28 Favored 'Trans proline' 0 C--N 1.326 -0.616 0 C-N-CA 123.981 3.121 . . . . 0.0 117.306 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -88.75 50.51 1.98 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.11 89.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.861 0.838 . . . . 0.0 109.484 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -72.32 -32.59 66.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 111.877 -2.42 . . . . 0.0 112.942 173.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 p -125.3 -83.13 0.64 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.777 -1.101 . . . . 0.0 113.787 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.35 -171.0 0.25 Allowed Pre-proline 0 N--CA 1.471 0.584 0 C-N-CA 128.019 2.528 . . . . 0.0 109.068 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -54.74 -30.25 66.04 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 121.893 1.729 . . . . 0.0 114.328 160.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -73.18 87.51 1.44 Allowed 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 122.134 0.969 . . . . 0.0 111.658 168.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 ' CG2' HH21 ' A' ' 45' ' ' ARG . 21.1 p -127.05 -39.78 1.91 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 111.248 -2.706 . . . . 0.0 114.843 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.02 152.83 51.9 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 123.968 0.793 . . . . 0.0 112.116 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -114.63 140.8 48.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.72 1.248 . . . . 0.0 108.28 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.23 103.59 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 112.571 -2.104 . . . . 0.0 108.889 173.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.56 135.38 43.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.742 1.617 . . . . 0.0 109.938 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.74 129.86 34.84 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.108 -1.405 . . . . 0.0 113.529 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.18 -79.39 0.29 Allowed Glycine 0 CA--C 1.532 1.097 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.863 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 t -122.05 -167.62 1.58 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 112.035 -2.082 . . . . 0.0 110.565 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -115.49 154.32 29.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.047 1.739 . . . . 0.0 112.211 -178.649 -65.115 -140.742 92.024 101.301 2.039 105.746 132.311 -92.64 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -95.43 166.74 11.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.308 -173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 120.2 7.86 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.666 1.186 . . . . 0.0 111.266 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.24 5.45 85.43 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-N 114.573 -1.194 . . . . 0.0 114.942 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -112.44 103.37 11.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.878 1.323 . . . . 0.0 110.049 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -99.97 145.03 28.33 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.996 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -59.28 116.94 4.24 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.99 -52.89 4.21 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 111.855 -2.429 . . . . 0.0 111.11 176.331 -115.683 -132.031 94.47 104.681 2.045 101.434 -109.341 -69.107 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -132.33 98.29 4.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 167.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 p -44.34 -42.98 7.19 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 112.699 -2.046 . . . . 0.0 114.711 -172.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -126.93 139.12 53.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.128 1.371 . . . . 0.0 108.938 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -121.05 -76.05 0.59 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.159 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.3 p -125.2 157.47 36.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.985 1.314 . . . . 0.0 109.173 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . 0.321 9.2 pt -7.01 -75.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 119.002 2.964 . . . . 0.0 119.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 pp -115.74 37.59 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.77 133.43 19.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.416 1.486 . . . . 0.0 113.068 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -121.99 156.23 33.9 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.858 -1.974 . . . . 0.0 111.412 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.2 m -100.2 116.16 31.56 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.938 1.351 . . . . 0.0 112.092 179.588 -60.749 -155.475 89.283 104.338 2.045 101.917 172.73 -178.395 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 m -122.83 141.25 52.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 111.98 -2.373 . . . . 0.0 114.033 177.257 -92.64 132.311 92.024 105.746 2.039 101.301 -140.742 -65.115 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.403 HH21 ' CG2' ' A' ' 18' ' ' THR . 2.4 ttm-85 -106.94 118.76 37.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 110.304 -3.135 . . . . 0.0 109.665 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -74.22 96.77 2.83 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 112.954 -1.93 . . . . 0.0 108.002 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 135.6 53.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 112.962 -1.926 . . . . 0.0 109.611 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.254 1.307 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.48 172.685 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.93 121.91 24.11 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 113.996 -1.457 . . . . 0.0 113.063 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t -116.96 146.22 43.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 112.753 -2.021 . . . . 0.0 111.148 -178.723 -178.395 172.73 89.283 101.917 2.045 104.338 -155.475 -60.749 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -87.05 140.27 29.72 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.047 -1.888 . . . . 0.0 110.379 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.76 129.12 47.87 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.144 -69.107 -109.341 94.47 101.434 2.045 104.681 -132.031 -115.683 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.36 -48.49 19.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 112.733 -2.031 . . . . 0.0 109.02 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 7.6 m-20 -81.96 72.12 9.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 123.25 1.5 . . . . 0.0 108.569 174.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -77.91 73.04 4.47 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 112.765 -2.016 . . . . 0.0 110.667 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.77 157.67 20.92 Favored Glycine 0 N--CA 1.47 0.96 0 CA-C-N 112.152 -2.295 . . . . 0.0 113.77 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -58.17 -12.96 14.28 Favored 'Trans proline' 0 C--N 1.326 -0.616 0 C-N-CA 123.981 3.121 . . . . 0.0 117.306 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -88.75 50.51 1.98 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.11 89.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.861 0.838 . . . . 0.0 109.484 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -72.32 -32.59 66.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 111.877 -2.42 . . . . 0.0 112.942 173.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 p -125.3 -83.13 0.64 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.777 -1.101 . . . . 0.0 113.787 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 18' ' ' THR . . . -150.35 -171.0 0.25 Allowed Pre-proline 0 N--CA 1.471 0.584 0 C-N-CA 128.019 2.528 . . . . 0.0 109.068 -173.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -54.74 -30.25 66.04 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 121.893 1.729 . . . . 0.0 114.328 160.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -73.18 87.51 1.44 Allowed 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 122.134 0.969 . . . . 0.0 111.658 168.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' ALA . 21.1 p -127.05 -39.78 1.91 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 111.248 -2.706 . . . . 0.0 114.843 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.02 152.83 51.9 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 123.968 0.793 . . . . 0.0 112.116 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -114.63 140.8 48.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.72 1.248 . . . . 0.0 108.28 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.23 103.59 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 112.571 -2.104 . . . . 0.0 108.889 173.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.56 135.38 43.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.742 1.617 . . . . 0.0 109.938 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.74 129.86 34.84 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.108 -1.405 . . . . 0.0 113.529 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.18 -79.39 0.29 Allowed Glycine 0 CA--C 1.532 1.097 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.863 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 t -122.05 -167.62 1.58 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 112.035 -2.082 . . . . 0.0 110.565 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -115.49 154.32 29.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.047 1.739 . . . . 0.0 112.211 -178.649 -65.115 -140.742 92.024 101.301 2.039 105.746 132.311 -92.64 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -95.43 166.74 11.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.308 -173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 120.2 7.86 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.666 1.186 . . . . 0.0 111.266 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.24 5.45 85.43 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-N 114.573 -1.194 . . . . 0.0 114.942 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 65.1 m95 -112.44 103.37 11.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.878 1.323 . . . . 0.0 110.049 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -99.97 145.03 28.33 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.996 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -59.28 116.94 4.24 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -93.99 -52.89 4.21 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 111.855 -2.429 . . . . 0.0 111.11 176.331 -115.683 -132.031 94.47 104.681 2.045 101.434 -109.341 -69.107 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -132.33 98.29 4.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 167.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 p -44.34 -42.98 7.19 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 112.699 -2.046 . . . . 0.0 114.711 -172.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -126.93 139.12 53.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.128 1.371 . . . . 0.0 108.938 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -121.05 -76.05 0.59 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.159 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.3 p -125.2 157.47 36.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.985 1.314 . . . . 0.0 109.173 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 40' ' ' ILE 0.321 9.2 pt -7.01 -75.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 119.002 2.964 . . . . 0.0 119.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 39' ' ' ILE . 2.4 pp -115.74 37.59 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.77 133.43 19.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.416 1.486 . . . . 0.0 113.068 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -121.99 156.23 33.9 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.858 -1.974 . . . . 0.0 111.412 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 78.2 m -100.2 116.16 31.56 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.938 1.351 . . . . 0.0 112.092 179.588 -60.749 -155.475 89.283 104.338 2.045 101.917 172.73 -178.395 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 1.4 m -122.83 141.25 52.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 111.98 -2.373 . . . . 0.0 114.033 177.257 -92.64 132.311 92.024 105.746 2.039 101.301 -140.742 -65.115 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.465 HH21 ' HB ' ' A' ' 18' ' ' THR . 2.4 ttm-85 -106.94 118.76 37.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 110.304 -3.135 . . . . 0.0 109.665 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -74.22 96.77 2.83 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 112.954 -1.93 . . . . 0.0 108.002 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 135.6 53.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 112.962 -1.926 . . . . 0.0 109.611 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.254 1.307 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.48 172.685 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.63 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.93 121.91 24.11 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 113.996 -1.457 . . . . 0.0 113.063 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t -116.96 146.22 43.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 112.753 -2.021 . . . . 0.0 111.148 -178.723 -178.395 172.73 89.283 101.917 2.045 104.338 -155.475 -60.749 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -87.05 140.27 29.72 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 113.047 -1.888 . . . . 0.0 110.379 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.9 m -101.76 129.12 47.87 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.144 -69.107 -109.341 94.47 101.434 2.045 104.681 -132.031 -115.683 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.36 -48.49 19.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 112.733 -2.031 . . . . 0.0 109.02 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.483 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 7.6 m-20 -81.96 72.12 9.0 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 123.25 1.5 . . . . 0.0 108.569 174.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -77.91 73.04 4.47 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 112.765 -2.016 . . . . 0.0 110.667 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.77 157.67 20.92 Favored Glycine 0 N--CA 1.47 0.96 0 CA-C-N 112.152 -2.295 . . . . 0.0 113.77 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -58.17 -12.96 14.28 Favored 'Trans proline' 0 C--N 1.326 -0.616 0 C-N-CA 123.981 3.121 . . . . 0.0 117.306 -177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -88.75 50.51 1.98 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.882 1.068 . . . . 0.0 113.882 -170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.11 89.62 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.861 0.838 . . . . 0.0 109.484 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -72.32 -32.59 66.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 111.877 -2.42 . . . . 0.0 112.942 173.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 p -125.3 -83.13 0.64 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 114.777 -1.101 . . . . 0.0 113.787 -172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 18' ' ' THR . . . -150.35 -171.0 0.25 Allowed Pre-proline 0 N--CA 1.471 0.584 0 C-N-CA 128.019 2.528 . . . . 0.0 109.068 -173.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -54.74 -30.25 66.04 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 121.893 1.729 . . . . 0.0 114.328 160.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.2 mt -73.18 87.51 1.44 Allowed 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 122.134 0.969 . . . . 0.0 111.658 168.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 15' ' ' ALA . 21.1 p -127.05 -39.78 1.91 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 111.248 -2.706 . . . . 0.0 114.843 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.02 152.83 51.9 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 123.968 0.793 . . . . 0.0 112.116 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -114.63 140.8 48.52 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 122.72 1.248 . . . . 0.0 108.28 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.6 t -71.23 103.59 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 112.571 -2.104 . . . . 0.0 108.889 173.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.56 135.38 43.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.742 1.617 . . . . 0.0 109.938 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.74 129.86 34.84 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 114.108 -1.405 . . . . 0.0 113.529 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.18 -79.39 0.29 Allowed Glycine 0 CA--C 1.532 1.097 0 CA-C-N 112.511 -2.131 . . . . 0.0 110.863 -175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.7 t -122.05 -167.62 1.58 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 112.035 -2.082 . . . . 0.0 110.565 -175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.5 m -115.49 154.32 29.53 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 126.047 1.739 . . . . 0.0 112.211 -178.649 -65.115 -140.742 92.024 101.301 2.039 105.746 132.311 -92.64 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -95.43 166.74 11.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 113.41 -1.723 . . . . 0.0 111.308 -173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.52 120.2 7.86 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.666 1.186 . . . . 0.0 111.266 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.24 5.45 85.43 Favored Glycine 0 CA--C 1.53 1.006 0 CA-C-N 114.573 -1.194 . . . . 0.0 114.942 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 65.1 m95 -112.44 103.37 11.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.878 1.323 . . . . 0.0 110.049 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -99.97 145.03 28.33 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 113.558 -1.655 . . . . 0.0 110.996 -176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -59.28 116.94 4.24 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HA ' ' HB2' ' A' ' 7' ' ' ASP . 0.1 OUTLIER -93.99 -52.89 4.21 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 111.855 -2.429 . . . . 0.0 111.11 176.331 -115.683 -132.031 94.47 104.681 2.045 101.434 -109.341 -69.107 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . . . -132.33 98.29 4.35 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 167.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.4 p -44.34 -42.98 7.19 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 112.699 -2.046 . . . . 0.0 114.711 -172.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -126.93 139.12 53.29 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.128 1.371 . . . . 0.0 108.938 169.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -121.05 -76.05 0.59 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.159 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.3 p -125.2 157.47 36.42 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.985 1.314 . . . . 0.0 109.173 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 40' ' ' ILE 0.321 9.2 pt -7.01 -75.38 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 119.002 2.964 . . . . 0.0 119.002 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' ' 39' ' ' ILE . 2.4 pp -115.74 37.59 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 177.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.77 133.43 19.91 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.416 1.486 . . . . 0.0 113.068 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 41.1 p30 -121.99 156.23 33.9 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 112.858 -1.974 . . . . 0.0 111.412 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 34' ' ' ALA . 78.2 m -100.2 116.16 31.56 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.938 1.351 . . . . 0.0 112.092 179.588 -60.749 -155.475 89.283 104.338 2.045 101.917 172.73 -178.395 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 30' ' ' TRP . 1.4 m -122.83 141.25 52.05 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 111.98 -2.373 . . . . 0.0 114.033 177.257 -92.64 132.311 92.024 105.746 2.039 101.301 -140.742 -65.115 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.465 HH21 ' HB ' ' A' ' 18' ' ' THR . 2.4 ttm-85 -106.94 118.76 37.53 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 110.304 -3.135 . . . . 0.0 109.665 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -74.22 96.77 2.83 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 112.954 -1.93 . . . . 0.0 108.002 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 135.6 53.79 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 112.962 -1.926 . . . . 0.0 109.611 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 C--O 1.254 1.307 0 CA-C-N 113.472 -1.695 . . . . 0.0 112.48 172.685 . . . . . . . . 0 0 . 1 stop_ save_