==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-NOV-99 1QOY . COMPND 2 MOLECULE: HEMOLYSIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.J.WALLACE,T.J.STILLMAN,A.ATKINS,S.J.JAMIESON,P.A.BULLOUGH, . 303 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 87.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -4 A G > 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 174.5 38.8 -7.6 124.1 2 -3 A I H > + 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 360.0 52.1 -62.1 -42.5 40.5 -4.3 124.6 3 -2 A L H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 109.2 50.3 -63.7 -42.6 42.7 -4.6 121.5 4 -1 A D H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 108.8 51.2 -62.8 -42.9 39.7 -5.3 119.3 5 0 A S H X S+ 0 0 59 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.926 111.4 47.9 -61.6 -46.8 37.8 -2.3 120.7 6 1 A M H X S+ 0 0 108 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.928 111.1 51.3 -60.3 -44.3 40.7 -0.0 119.9 7 2 A A H X S+ 0 0 57 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.908 108.6 51.3 -59.2 -43.4 41.1 -1.5 116.4 8 3 A E H X S+ 0 0 126 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.915 109.7 49.2 -62.4 -42.3 37.4 -0.9 115.7 9 4 A I H X S+ 0 0 119 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.892 112.2 48.2 -64.1 -40.8 37.6 2.8 116.7 10 5 A V H X S+ 0 0 71 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.949 111.7 50.5 -64.6 -45.5 40.7 3.3 114.6 11 6 A A H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.934 110.6 47.9 -59.7 -45.3 39.0 1.6 111.6 12 7 A D H X S+ 0 0 92 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.820 110.4 53.5 -63.9 -31.1 35.9 3.8 112.0 13 8 A K H X S+ 0 0 101 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.938 108.2 49.3 -68.1 -47.1 38.1 6.9 112.2 14 9 A T H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.948 110.5 50.5 -56.4 -47.3 39.9 5.9 108.9 15 10 A V H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.950 111.5 49.1 -58.5 -44.5 36.5 5.4 107.2 16 11 A E H X S+ 0 0 118 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.900 112.7 46.5 -60.8 -43.7 35.4 8.8 108.4 17 12 A V H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.945 115.0 45.3 -66.1 -50.3 38.6 10.6 107.2 18 13 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.940 113.0 49.4 -58.9 -49.3 38.6 8.9 103.8 19 14 A K H X S+ 0 0 66 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.929 113.3 48.6 -59.8 -39.5 34.8 9.6 103.3 20 15 A N H X S+ 0 0 76 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.906 108.4 54.3 -66.6 -41.5 35.5 13.2 104.3 21 16 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.957 114.2 40.1 -55.2 -54.0 38.5 13.4 101.9 22 17 A I H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.899 115.5 49.1 -62.9 -47.3 36.4 12.3 98.9 23 18 A E H X S+ 0 0 89 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.833 110.4 52.6 -64.9 -30.9 33.3 14.2 99.7 24 19 A T H X S+ 0 0 15 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.936 112.5 43.8 -71.1 -43.8 35.3 17.4 100.3 25 20 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.934 115.1 49.0 -63.4 -47.3 37.0 17.1 96.8 26 21 A D H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.884 107.8 55.9 -60.5 -35.7 33.6 16.2 95.2 27 22 A G H X S+ 0 0 30 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.905 107.4 48.3 -66.1 -38.2 32.1 19.2 96.9 28 23 A A H >< S+ 0 0 0 -4,-1.7 3,-1.1 2,-0.2 4,-0.5 0.934 110.0 51.9 -69.9 -42.6 34.7 21.6 95.4 29 24 A L H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 3,-2.0 0.900 102.0 60.9 -60.6 -38.4 34.1 20.0 91.9 30 25 A D H 3X>S+ 0 0 28 -4,-2.2 4,-2.7 1,-0.3 5,-2.0 0.743 89.8 68.5 -61.8 -22.9 30.4 20.6 92.3 31 26 A L H <<>S+ 0 0 23 -3,-1.1 5,-2.5 -4,-0.7 -1,-0.3 0.754 114.8 30.4 -66.2 -20.9 31.0 24.4 92.6 32 27 A Y H <4>S+ 0 0 0 -3,-2.0 5,-2.6 -4,-0.5 -2,-0.2 0.840 124.8 44.7 -95.4 -55.8 32.0 24.0 88.9 33 28 A N H <5S+ 0 0 1 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.2 0.812 133.2 13.3 -60.9 -39.7 29.7 21.1 87.8 34 29 A K T X5S+ 0 0 121 -4,-2.7 4,-1.0 -5,-0.2 5,-0.4 0.832 131.9 36.7-103.9 -53.9 26.5 22.4 89.5 35 30 A Y H >XS+ 0 0 50 -5,-2.0 4,-2.9 3,-0.2 5,-0.6 1.000 124.8 29.6 -67.8 -71.1 26.9 26.0 90.6 36 31 A L H >> + 0 0 57 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.445 39.3 165.1 -83.5 69.9 23.5 31.4 81.8 42 37 A W H 3> S+ 0 0 15 -2,-1.8 4,-2.5 1,-0.2 5,-0.1 0.868 75.2 54.5 -51.7 -40.5 26.6 31.0 79.7 43 38 A Q H 3> S+ 0 0 134 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.863 105.3 53.3 -65.6 -33.0 24.6 30.2 76.6 44 39 A T H <> S+ 0 0 62 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.919 109.6 49.0 -65.8 -41.7 22.5 33.4 77.0 45 40 A F H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.902 110.6 51.3 -64.3 -42.5 25.8 35.3 77.1 46 41 A D H X S+ 0 0 56 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.948 110.9 46.1 -60.9 -47.2 27.0 33.5 74.0 47 42 A E H X S+ 0 0 98 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.871 113.3 51.8 -62.5 -35.6 23.8 34.3 72.0 48 43 A T H >X S+ 0 0 16 -4,-2.0 4,-1.2 2,-0.2 3,-1.2 0.955 108.0 50.2 -64.0 -49.8 24.1 37.9 73.2 49 44 A I H >< S+ 0 0 16 -4,-2.9 3,-0.6 1,-0.3 4,-0.3 0.928 108.2 53.9 -57.0 -45.7 27.7 38.3 72.1 50 45 A K H 3< S+ 0 0 149 -4,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.720 113.8 42.4 -62.5 -23.2 26.7 36.9 68.6 51 46 A E H X< S+ 0 0 62 -3,-1.2 3,-2.2 -4,-0.8 -1,-0.2 0.499 81.6 94.8-105.8 -5.4 24.0 39.5 68.2 52 47 A L T << S+ 0 0 6 -4,-1.2 -1,-0.1 -3,-0.6 -2,-0.1 0.682 82.0 59.7 -60.0 -20.2 25.6 42.7 69.5 53 48 A S T > S+ 0 0 68 -4,-0.3 3,-2.0 -3,-0.2 -1,-0.3 0.570 76.2 119.4 -84.0 -6.6 26.7 43.7 65.9 54 49 A R T < S- 0 0 142 -3,-2.2 -3,-0.0 1,-0.3 -4,-0.0 -0.303 91.0 -1.5 -60.2 134.5 23.0 43.7 64.7 55 50 A F T >> S+ 0 0 78 1,-0.1 3,-2.2 2,-0.1 4,-0.7 0.730 87.4 150.3 56.7 24.0 22.0 47.3 63.5 56 51 A K G X4 + 0 0 119 -3,-2.0 3,-1.0 1,-0.3 -2,-0.1 0.861 65.2 57.2 -51.9 -42.8 25.6 48.4 64.4 57 52 A Q G 34 S+ 0 0 197 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.594 99.3 61.8 -65.6 -15.9 25.6 51.1 61.6 58 53 A E G <4 S+ 0 0 51 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.722 83.4 92.0 -88.0 -19.8 22.4 52.7 63.1 59 54 A Y S << S- 0 0 26 -3,-1.0 101,-0.0 -4,-0.7 -4,-0.0 -0.348 89.2 -98.3 -70.0 158.6 23.8 53.7 66.4 60 55 A S > - 0 0 21 1,-0.1 4,-2.5 99,-0.0 5,-0.2 -0.234 42.9-105.5 -61.9 161.4 25.4 57.1 67.0 61 56 A Q H > S+ 0 0 172 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.894 120.3 49.3 -58.1 -40.8 29.2 56.9 66.8 62 57 A A H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.857 111.2 47.0 -70.9 -36.2 29.6 57.2 70.6 63 58 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.917 110.0 56.2 -71.1 -39.6 27.0 54.5 71.4 64 59 A S H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.878 103.6 52.1 -58.0 -39.3 28.6 52.2 68.8 65 60 A V H X S+ 0 0 83 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.921 111.9 46.3 -64.4 -44.2 32.0 52.5 70.5 66 61 A L H X S+ 0 0 23 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.878 109.8 54.1 -66.8 -39.6 30.5 51.4 73.8 67 62 A V H X S+ 0 0 9 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.949 110.4 47.0 -58.6 -45.7 28.6 48.6 72.2 68 63 A G H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.895 112.4 49.1 -61.2 -42.2 31.9 47.3 70.7 69 64 A D H X S+ 0 0 57 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.903 110.4 51.4 -64.8 -41.4 33.7 47.6 74.1 70 65 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.926 109.8 49.5 -62.3 -46.5 30.9 45.7 75.8 71 66 A K H X S+ 0 0 62 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.954 111.5 48.9 -57.1 -48.6 31.0 42.9 73.3 72 67 A T H X S+ 0 0 94 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.945 112.4 48.1 -60.2 -46.5 34.8 42.6 73.7 73 68 A L H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.884 111.9 48.0 -64.8 -39.2 34.5 42.5 77.5 74 69 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.872 108.8 55.4 -68.4 -33.8 31.7 39.9 77.5 75 70 A M H X S+ 0 0 96 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.945 108.9 48.2 -61.2 -41.0 33.8 37.8 75.1 76 71 A D H X S+ 0 0 42 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.906 108.6 52.5 -66.5 -42.5 36.6 38.0 77.7 77 72 A S H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.921 113.8 44.2 -58.1 -43.1 34.4 37.0 80.6 78 73 A Q H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.943 112.7 52.5 -64.2 -47.9 33.2 33.9 78.6 79 74 A D H X S+ 0 0 86 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.936 110.6 46.1 -53.1 -50.4 36.8 33.2 77.5 80 75 A K H X S+ 0 0 40 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.826 109.7 54.5 -68.3 -30.6 38.2 33.2 81.1 81 76 A Y H X S+ 0 0 6 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.920 110.5 47.0 -66.0 -40.7 35.3 31.0 82.3 82 77 A F H X S+ 0 0 82 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.844 108.8 55.0 -72.7 -27.7 36.2 28.5 79.6 83 78 A E H X S+ 0 0 83 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.902 109.4 46.5 -69.8 -40.2 39.9 28.7 80.6 84 79 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.934 110.8 55.0 -62.4 -45.9 38.9 27.9 84.3 85 80 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.878 104.8 51.6 -57.4 -41.3 36.8 25.0 82.9 86 81 A Q H X S+ 0 0 89 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.896 108.7 50.8 -65.9 -40.0 39.7 23.4 81.0 87 82 A T H X S+ 0 0 18 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.895 113.0 45.6 -62.5 -42.8 41.9 23.4 84.1 88 83 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.2 0.915 108.4 57.5 -65.4 -40.7 39.2 21.7 86.1 89 84 A Y H X S+ 0 0 57 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.887 103.4 54.1 -55.8 -42.6 38.6 19.3 83.2 90 85 A E H X S+ 0 0 92 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.884 107.7 49.4 -60.0 -39.9 42.3 18.3 83.4 91 86 A W H X S+ 0 0 0 -4,-1.4 4,-3.1 -3,-0.2 -2,-0.2 0.941 110.7 51.0 -64.9 -46.5 41.8 17.5 87.2 92 87 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.848 104.0 56.8 -56.4 -43.6 38.7 15.4 86.4 93 88 A G H X S+ 0 0 16 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.906 116.5 36.9 -59.2 -40.4 40.5 13.3 83.7 94 89 A V H X S+ 0 0 52 -4,-1.5 4,-2.1 -3,-0.2 3,-0.3 0.931 113.4 55.3 -76.6 -47.1 43.0 12.3 86.3 95 90 A A H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.850 103.7 56.3 -54.8 -41.9 40.7 12.0 89.3 96 91 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.900 109.6 43.1 -60.7 -46.9 38.4 9.5 87.5 97 92 A Q H X S+ 0 0 118 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.2 0.876 117.1 47.1 -67.9 -38.2 41.2 7.0 86.7 98 93 A L H X S+ 0 0 40 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.885 111.9 49.5 -71.1 -39.5 42.7 7.3 90.2 99 94 A L H X S+ 0 0 3 -4,-3.3 4,-2.3 -5,-0.2 -1,-0.2 0.905 111.4 50.6 -65.4 -35.3 39.3 7.0 92.0 100 95 A A H X S+ 0 0 17 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.910 110.3 48.9 -67.6 -38.7 38.6 3.9 89.8 101 96 A A H X S+ 0 0 35 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.929 109.1 54.8 -62.8 -42.0 42.0 2.4 90.8 102 97 A Y H < S+ 0 0 3 -4,-2.7 4,-0.5 2,-0.2 3,-0.3 0.949 108.5 46.8 -55.0 -50.4 41.2 3.2 94.4 103 98 A I H >< S+ 0 0 39 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.961 113.1 49.9 -58.0 -46.4 37.9 1.2 94.3 104 99 A L H >< S+ 0 0 111 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.779 95.8 70.0 -66.0 -26.3 39.6 -1.7 92.5 105 100 A L T 3< S+ 0 0 36 -4,-2.1 5,-0.3 1,-0.3 -1,-0.3 0.643 83.0 73.4 -69.5 -11.9 42.4 -1.9 95.1 106 101 A F T X S+ 0 0 14 -3,-1.3 3,-0.9 -4,-0.5 -1,-0.3 0.799 74.8 100.2 -71.3 -23.9 39.9 -3.2 97.7 107 102 A D T < S- 0 0 84 -3,-1.5 3,-0.1 1,-0.3 6,-0.0 -0.439 101.9 -4.9 -65.3 128.6 39.8 -6.6 95.9 108 103 A E T 3 S- 0 0 174 -2,-0.2 -1,-0.3 1,-0.1 5,-0.1 0.950 100.6-150.2 49.2 53.1 42.0 -9.3 97.6 109 104 A Y < + 0 0 56 -3,-0.9 2,-0.3 4,-0.1 -1,-0.1 -0.166 29.8 157.8 -58.7 148.4 43.2 -6.5 99.9 110 105 A N > - 0 0 62 -5,-0.3 4,-1.6 -3,-0.1 3,-0.2 -0.910 56.0 -85.9-158.6 175.9 46.6 -6.5 101.5 111 106 A E H > S+ 0 0 122 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.866 123.1 54.6 -63.3 -36.4 49.0 -3.9 103.1 112 107 A K H > S+ 0 0 173 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 109.1 48.5 -62.6 -38.6 50.6 -2.9 99.7 113 108 A K H > S+ 0 0 52 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.832 110.2 51.4 -71.1 -33.6 47.1 -2.1 98.2 114 109 A A H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.896 110.4 48.4 -70.1 -40.9 46.2 -0.1 101.3 115 110 A S H X S+ 0 0 68 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.869 111.9 50.6 -66.2 -36.0 49.4 1.9 100.9 116 111 A A H X S+ 0 0 36 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.954 109.6 50.3 -65.1 -48.0 48.6 2.4 97.2 117 112 A Q H X S+ 0 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