==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 13-JAN-11 3QBR . COMPND 2 MOLECULE: SJCHGC06286 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM; . AUTHOR E.F.LEE,O.B.CLARKE,W.D.FAIRLIE,P.M.COLMAN,M.EVANGELISTA,Z.FE . 371 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 77.1 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 . 0 0.0 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 . 0 0.0 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 . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 2 3 1 0 0 0 0 0 0 1 4 0 1 3 2 1 0 1 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A D > 0 0 120 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 131.4 36.3 19.2 51.0 2 7 A F H > + 0 0 15 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.909 360.0 51.9 -71.4 -44.1 39.3 17.4 49.5 3 8 A R H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.841 114.3 45.1 -59.5 -32.8 42.1 19.0 51.5 4 9 A L H > S+ 0 0 40 -3,-0.2 4,-2.1 2,-0.2 34,-0.4 0.878 112.8 49.9 -81.1 -40.6 40.3 18.0 54.7 5 10 A Q H X S+ 0 0 14 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.959 112.0 48.0 -55.5 -51.8 39.4 14.6 53.5 6 11 A T H X S+ 0 0 2 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.890 109.0 54.1 -66.7 -37.0 43.1 13.9 52.5 7 12 A S H X S+ 0 0 20 -4,-1.6 4,-2.0 -5,-0.3 3,-0.3 0.950 106.3 51.8 -54.0 -51.3 44.3 15.2 55.8 8 13 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.832 106.5 55.1 -58.8 -34.1 42.1 12.8 57.7 9 14 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.894 105.4 52.0 -67.9 -39.0 43.4 9.9 55.7 10 15 A C H X S+ 0 0 1 -4,-1.7 4,-2.9 -3,-0.3 5,-0.2 0.960 110.6 47.4 -61.5 -54.3 47.0 10.7 56.6 11 16 A H H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.961 116.2 43.4 -47.5 -59.0 46.2 10.7 60.3 12 17 A S H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.931 113.5 51.3 -55.8 -49.8 44.3 7.4 60.2 13 18 A F H X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.926 111.9 46.7 -58.7 -46.2 46.9 5.8 58.0 14 19 A L H >< S+ 0 0 6 -4,-2.9 3,-0.8 -5,-0.2 4,-0.4 0.889 111.6 51.5 -60.1 -39.2 49.7 6.8 60.3 15 20 A L H 3< S+ 0 0 51 -4,-2.7 3,-0.3 -5,-0.2 -1,-0.2 0.821 112.5 47.1 -68.1 -25.5 47.7 5.6 63.4 16 21 A A H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.440 112.8 46.6 -96.3 1.9 47.1 2.2 61.7 17 22 A S S << S+ 0 0 19 -3,-0.8 2,-0.2 -4,-0.5 -1,-0.2 0.252 91.7 91.4-127.8 12.8 50.6 1.6 60.6 18 23 A A S S- 0 0 19 -4,-0.4 97,-0.0 -3,-0.3 -4,-0.0 -0.675 76.2-105.1-105.0 159.9 52.8 2.4 63.7 19 24 A N > - 0 0 81 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.215 46.2 -88.4 -71.1 175.8 53.9 0.2 66.5 20 25 A K H > S+ 0 0 188 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.923 126.3 45.5 -49.4 -56.4 52.4 0.3 69.9 21 26 A Q H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 118.2 41.8 -58.0 -47.2 54.7 3.0 71.3 22 27 A D H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.846 109.5 58.7 -72.1 -34.6 54.4 5.2 68.2 23 28 A T H X S+ 0 0 31 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.951 110.9 42.7 -57.1 -49.5 50.7 4.6 67.9 24 29 A D H X S+ 0 0 105 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.904 114.0 49.7 -62.4 -47.2 50.2 6.0 71.4 25 30 A Y H X S+ 0 0 69 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.950 117.1 42.1 -59.9 -44.1 52.6 8.9 71.0 26 31 A L H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.872 110.9 55.3 -70.4 -36.1 50.9 9.9 67.7 27 32 A T H X S+ 0 0 39 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.915 111.7 43.7 -65.7 -40.3 47.4 9.3 69.0 28 33 A D H X S+ 0 0 90 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.898 109.9 55.7 -71.8 -39.6 47.9 11.7 71.9 29 34 A L H X S+ 0 0 22 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.918 110.2 46.5 -56.8 -45.0 49.7 14.3 69.7 30 35 A L H X>S+ 0 0 20 -4,-2.4 4,-0.9 2,-0.2 5,-0.6 0.925 110.7 52.4 -64.1 -44.1 46.7 14.4 67.5 31 36 A D H ><5S+ 0 0 107 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.932 115.9 40.1 -53.8 -51.3 44.3 14.6 70.4 32 37 A N H 3<5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.759 103.6 68.4 -69.7 -27.4 46.2 17.6 71.9 33 38 A T H 3<5S- 0 0 40 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.740 89.0-156.5 -65.4 -21.4 46.6 19.1 68.4 34 39 A N T <<5 + 0 0 148 -4,-0.9 2,-0.3 -3,-0.8 -3,-0.1 0.901 32.0 155.6 42.9 60.0 42.9 19.6 68.5 35 40 A I < - 0 0 70 -5,-0.6 -1,-0.2 1,-0.1 2,-0.1 -0.733 43.8 -89.2-115.9 166.0 42.4 19.7 64.7 36 41 A D + 0 0 117 -2,-0.3 2,-0.3 154,-0.0 -1,-0.1 -0.378 37.5 179.2 -79.1 143.2 39.5 19.0 62.4 37 42 A L - 0 0 35 154,-0.2 154,-0.3 -2,-0.1 2,-0.2 -0.995 6.9-166.6-140.2 135.2 38.6 15.7 60.9 38 43 A T - 0 0 19 -34,-0.4 2,-0.5 -2,-0.3 154,-0.2 -0.398 36.5 -93.2 -98.8-170.4 35.7 14.6 58.7 39 44 A a - 0 0 20 -2,-0.2 186,-0.1 154,-0.1 152,-0.1 -0.935 36.2-142.6-106.6 127.7 34.5 11.2 57.8 40 45 A V > - 0 0 14 -2,-0.5 3,-1.9 -35,-0.1 2,-0.3 -0.774 20.5-116.7 -93.1 130.9 36.1 9.7 54.7 41 46 A P T 3 S+ 0 0 7 0, 0.0 5,-0.1 0, 0.0 183,-0.1 -0.527 101.0 2.1 -69.5 126.9 33.8 7.6 52.4 42 47 A N T >> S+ 0 0 59 -2,-0.3 4,-2.5 3,-0.1 3,-0.6 0.561 88.6 154.9 73.4 7.8 35.1 4.1 52.3 43 48 A G H <> + 0 0 18 -3,-1.9 4,-2.3 1,-0.3 5,-0.2 0.775 67.2 48.3 -33.9 -47.3 37.8 5.2 54.7 44 49 A Q H 3> S+ 0 0 160 -4,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.943 112.0 47.8 -69.1 -47.3 38.4 1.8 56.1 45 50 A E H <> S+ 0 0 100 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.901 113.0 50.3 -54.0 -42.6 38.6 0.1 52.7 46 51 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.895 110.4 48.1 -66.0 -42.7 41.0 2.9 51.6 47 52 A I H X S+ 0 0 17 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.887 110.4 52.5 -66.7 -42.3 43.3 2.5 54.7 48 53 A H H X S+ 0 0 102 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.942 109.7 48.7 -55.6 -50.3 43.4 -1.3 54.2 49 54 A S H X S+ 0 0 8 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.928 110.4 51.8 -54.2 -47.6 44.5 -0.9 50.6 50 55 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.831 107.4 51.9 -63.3 -33.2 47.1 1.6 51.7 51 56 A L H X S+ 0 0 61 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.934 112.7 45.4 -69.1 -45.0 48.5 -0.8 54.3 52 57 A Q H X S+ 0 0 91 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.960 118.9 42.2 -58.7 -47.3 48.8 -3.6 51.7 53 58 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.3 -2,-0.2 0.781 113.1 49.5 -75.7 -34.3 50.3 -1.2 49.1 54 59 A V H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.745 109.1 57.3 -72.8 -24.0 52.7 0.6 51.5 55 60 A G H X S+ 0 0 34 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.3 0.942 104.9 48.8 -66.8 -47.3 53.6 -2.9 52.5 56 61 A D H X S+ 0 0 19 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.932 114.1 48.4 -53.3 -47.4 54.5 -3.6 48.9 57 62 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.906 111.0 47.5 -62.5 -46.0 56.6 -0.4 49.0 58 63 A N H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.963 107.5 55.0 -64.1 -51.5 58.4 -1.1 52.2 59 64 A Q H < S+ 0 0 88 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.849 114.6 41.7 -50.6 -37.9 59.4 -4.6 51.3 60 65 A R H X S+ 0 0 37 -4,-1.5 4,-1.2 -5,-0.2 3,-0.3 0.823 110.8 55.1 -76.3 -33.5 61.0 -3.3 48.0 61 66 A F H X S+ 0 0 25 -4,-1.9 4,-1.0 -3,-0.3 -2,-0.2 0.759 101.7 55.7 -81.4 -25.2 62.7 -0.2 49.6 62 67 A S H < S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.702 107.6 55.0 -73.4 -19.5 64.6 -2.1 52.2 63 68 A Q H 4 S+ 0 0 131 -4,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.882 123.0 19.3 -73.2 -40.7 66.0 -4.1 49.2 64 69 A T H < S+ 0 0 80 -4,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.186 122.0 33.6-126.5 14.6 67.3 -1.2 47.3 65 70 A H < - 0 0 49 -4,-1.0 2,-0.3 -5,-0.1 -1,-0.1 -0.983 57.4-142.0-163.3 157.8 67.7 1.8 49.6 66 71 A E - 0 0 135 -2,-0.3 4,-0.3 1,-0.1 -4,-0.0 -0.782 10.0-144.1-120.1 169.6 68.6 2.8 53.1 67 72 A I S >> S+ 0 0 52 -2,-0.3 3,-1.5 2,-0.1 4,-0.9 0.921 78.5 79.2 -95.0 -57.2 67.1 5.5 55.3 68 73 A E H 3> S+ 0 0 120 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.566 89.2 58.4 -34.1 -41.1 69.9 7.0 57.5 69 74 A P H 3> S+ 0 0 77 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.963 108.9 41.6 -52.2 -60.3 71.4 9.2 54.8 70 75 A V H <> S+ 0 0 34 -3,-1.5 4,-1.5 -4,-0.3 -2,-0.2 0.784 108.9 56.4 -68.5 -33.7 68.3 11.2 54.0 71 76 A A H X>S+ 0 0 3 -4,-0.9 4,-2.6 2,-0.2 5,-1.3 0.975 113.6 43.1 -62.1 -50.2 67.1 11.7 57.6 72 77 A Q H <5S+ 0 0 129 -4,-1.7 -2,-0.2 1,-0.3 3,-0.2 0.954 111.7 52.0 -55.7 -53.3 70.4 13.3 58.3 73 78 A S H <5S+ 0 0 67 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.759 116.2 43.5 -58.5 -22.6 70.4 15.2 55.1 74 79 A L H <5S- 0 0 17 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.3 0.726 112.9-123.6 -91.1 -27.3 67.0 16.4 56.3 75 80 A G T <5S+ 0 0 30 -4,-2.6 8,-0.3 -3,-0.2 -3,-0.2 0.943 73.0 122.8 84.2 55.8 68.1 17.0 59.8 76 81 A I < + 0 0 0 -5,-1.3 48,-0.2 6,-0.1 -4,-0.2 0.510 55.6 65.4-127.3 -17.4 65.6 14.7 61.4 77 82 A D S S+ 0 0 41 -6,-0.2 2,-0.1 -9,-0.1 -5,-0.1 0.453 83.4 106.2 -88.7 0.3 67.6 12.2 63.4 78 83 A S S S- 0 0 40 2,-0.2 46,-0.1 -7,-0.2 4,-0.1 -0.427 72.9-140.4 -78.9 149.9 68.9 14.9 65.7 79 84 A D S S+ 0 0 134 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.447 82.3 109.8 -72.5 -4.6 67.9 15.6 69.3 80 85 A K S S- 0 0 155 1,-0.1 -2,-0.2 0, 0.0 44,-0.0 -0.628 89.1-101.0 -83.3 124.4 68.2 19.0 67.8 81 86 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.138 50.1-116.6 -39.8 127.4 65.0 21.0 67.2 82 87 A V - 0 0 18 1,-0.1 2,-1.3 -4,-0.1 3,-0.1 -0.390 18.5-106.5 -81.8 150.2 64.3 20.7 63.5 83 88 A D > - 0 0 100 -8,-0.3 4,-2.3 -9,-0.2 5,-0.3 -0.629 32.8-161.2 -75.1 94.1 64.3 23.5 61.0 84 89 A K H > S+ 0 0 130 -2,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.891 84.4 33.0 -37.4 -63.2 60.5 23.8 60.3 85 90 A T H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.768 113.4 57.2 -82.8 -27.9 60.7 25.7 57.0 86 91 A A H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 108.8 50.8 -62.8 -40.4 63.9 24.2 55.6 87 92 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.828 105.4 53.9 -68.4 -34.9 62.2 20.9 56.0 88 93 A E H X S+ 0 0 58 -4,-1.3 4,-4.1 -5,-0.3 5,-0.3 0.991 108.2 52.4 -60.0 -56.3 59.1 22.0 54.1 89 94 A I H X S+ 0 0 75 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.893 113.3 41.1 -39.9 -58.5 61.4 23.1 51.3 90 95 A F H X S+ 0 0 61 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.936 115.4 51.2 -64.3 -44.2 63.1 19.8 50.9 91 96 A Y H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 111.2 49.0 -53.2 -50.7 59.9 17.9 51.4 92 97 A L H X S+ 0 0 47 -4,-4.1 4,-2.6 1,-0.2 -1,-0.2 0.880 110.9 49.6 -59.0 -39.5 58.3 20.1 48.7 93 98 A E H X S+ 0 0 59 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.856 110.2 51.4 -67.0 -36.8 61.2 19.4 46.4 94 99 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.883 111.5 46.6 -68.3 -38.1 61.0 15.7 47.0 95 100 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.952 110.8 51.5 -67.9 -51.1 57.3 15.7 46.2 96 101 A N H < S+ 0 0 69 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.897 113.8 45.9 -50.5 -42.5 57.8 17.7 43.1 97 102 A G H >< S+ 0 0 4 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.920 113.4 48.7 -64.3 -45.1 60.4 15.2 42.2 98 103 A L H 3< S+ 0 0 2 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.824 113.0 49.3 -61.2 -31.8 58.2 12.2 43.1 99 104 A F T 3< + 0 0 15 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.229 60.9 119.5-107.9 16.0 55.3 13.7 41.1 100 105 A E S < S+ 0 0 127 -3,-0.9 2,-0.3 -4,-0.3 -1,-0.2 0.799 95.0 24.1 -45.9 -31.4 56.8 14.6 37.7 101 106 A K S S- 0 0 113 -3,-0.4 2,-0.5 -4,-0.2 -1,-0.0 -0.944 87.6-130.8-129.3 159.1 54.1 12.1 36.6 102 107 A L + 0 0 43 -2,-0.3 2,-0.3 4,-0.0 3,-0.1 -0.928 41.9 123.6-113.3 134.3 50.9 11.0 38.3 103 108 A N >> - 0 0 5 -2,-0.5 4,-1.2 1,-0.1 3,-0.6 -0.923 66.8 -93.7-166.8 169.3 49.6 7.5 39.0 104 109 A W H >> S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 0.900 117.8 58.7 -51.9 -49.6 48.5 5.5 42.0 105 110 A G H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.832 106.4 48.2 -53.4 -37.4 51.9 3.9 42.6 106 111 A R H <> S+ 0 0 26 -3,-0.6 4,-1.0 2,-0.2 -1,-0.3 0.791 109.3 53.0 -74.4 -29.5 53.5 7.2 43.1 107 112 A I H XX S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.7 3,-1.2 0.965 107.0 52.0 -69.4 -51.0 50.8 8.4 45.5 108 113 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.895 104.6 57.5 -41.9 -49.4 51.4 5.3 47.6 109 114 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.3 0.827 101.4 56.5 -58.6 -31.9 55.0 6.2 47.6 110 115 A M H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.7 0.809 105.6 56.9 -61.3 -31.4 60.8 12.4 63.7 122 127 A S H ><5S+ 0 0 10 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.698 82.9 79.9 -85.3 -17.7 58.9 10.8 66.6 123 128 A K T 3<5S+ 0 0 136 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.862 110.9 28.4 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54.7 17.3 57.2 134 139 A I H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.883 112.3 47.0 -61.6 -38.1 51.1 16.1 57.4 135 140 A K H X S+ 0 0 134 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.900 112.6 49.1 -70.6 -39.5 49.8 19.6 56.7 136 141 A T H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.934 107.6 53.5 -67.2 -48.3 52.1 20.1 53.7 137 142 A T H X S+ 0 0 1 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.907 110.2 51.3 -47.3 -42.1 51.2 16.7 52.3 138 143 A S H X S+ 0 0 4 -4,-1.5 4,-1.3 -5,-0.2 -2,-0.2 0.927 112.1 42.4 -65.4 -49.7 47.5 17.9 52.5 139 144 A Q H X S+ 0 0 60 -4,-2.2 4,-1.7 2,-0.2 3,-0.5 0.941 114.4 51.2 -59.6 -49.3 48.0 21.3 50.8 140 145 A Y H X S+ 0 0 16 -4,-2.7 4,-1.7 1,-0.3 5,-0.3 0.895 108.9 52.2 -58.9 -43.1 50.2 19.8 48.0 141 146 A S H X>S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.3 5,-1.3 0.850 110.3 47.5 -56.4 -38.1 47.6 17.1 47.4 142 147 A D H <5S+ 0 0 32 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.745 116.2 45.5 -80.7 -22.9 44.9 19.7 47.0 143 148 A E H <5S+ 0 0 133 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.722 131.0 11.5 -89.2 -24.6 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0 0 93 2,-0.2 4,-1.1 1,-0.2 3,-0.0 0.941 360.0 33.3 -60.3 -53.3 69.4 17.4 45.6 167 5 B M H > S+ 0 0 10 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.849 111.5 63.9 -75.4 -34.4 66.0 16.6 47.1 168 6 B G H > S+ 0 0 6 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.886 97.9 58.3 -49.7 -41.7 64.4 16.4 43.7 169 7 B Q H >X S+ 0 0 96 -4,-1.7 3,-1.6 1,-0.2 4,-1.6 0.959 100.7 54.6 -55.5 -56.2 66.6 13.4 43.1 170 8 B V H 3X S+ 0 0 24 -4,-1.1 4,-2.3 1,-0.3 3,-0.3 0.869 101.6 59.5 -39.0 -51.4 65.2 11.6 46.2 171 9 B G H 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.778 105.4 47.8 -54.6 -31.1 61.7 12.1 44.7 172 10 B R H < S+ 0 0 151 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.920 109.9 51.8 -58.4 -47.3 52.9 -1.6 36.8 184 22 B R H 3< S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.2 50.0 -61.7 -35.0 52.2 -4.6 38.9 185 23 B Y T 3< S+ 0 0 45 -4,-1.9 -1,-0.3 -5,-0.2 2,-0.2 0.470 79.8 117.2 -91.0 -0.3 48.7 -3.5 39.8 186 24 B D S < S- 0 0 99 -3,-1.2 -3,-0.0 -4,-0.5 -25,-0.0 -0.518 75.5-124.3 -66.1 130.2 47.6 -2.7 36.2 187 25 B S 0 0 128 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.622 360.0 360.0 -51.1 -16.4 44.7 -5.0 35.3 188 26 B E 0 0 187 -5,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.623 360.0 360.0 12.9 360.0 46.9 -6.1 32.3 189 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 190 3 X N 0 0 105 0, 0.0 2,-0.3 0, 0.0 -152,-0.1 0.000 360.0 360.0 360.0 46.0 36.2 11.2 62.2 191 4 X T - 0 0 119 -154,-0.3 2,-0.3 -152,-0.1 -154,-0.2 -0.665 360.0-127.8 -90.2 142.1 32.7 12.6 62.6 192 5 X A - 0 0 8 36,-0.6 -154,-0.1 -2,-0.3 -152,-0.0 -0.663 26.0-113.0 -88.0 145.5 31.0 14.5 59.7 193 6 X D > - 0 0 94 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.219 33.3 -98.5 -70.8 165.6 29.5 18.0 60.2 194 7 X F H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.877 120.5 50.6 -53.2 -43.8 25.8 18.7 60.1 195 8 X R H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.880 110.2 48.8 -67.5 -38.6 25.8 20.0 56.5 196 9 X L H > S+ 0 0 63 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.910 111.7 49.4 -67.5 -44.1 27.7 17.1 55.1 197 10 X Q H X S+ 0 0 34 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.955 111.7 49.0 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18.5 7.8 44.8 208 21 X A H 3< S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.705 102.2 61.2 -74.2 -17.5 16.5 5.4 47.0 209 22 X S T 3< S+ 0 0 14 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.3 0.228 77.9 119.7 -95.1 17.4 13.2 7.0 46.1 210 23 X A < 0 0 23 -3,-1.3 -3,-0.0 1,-0.1 -4,-0.0 -0.628 360.0 360.0 -86.8 140.2 13.4 6.3 42.3 211 24 X N 0 0 180 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.111 360.0 360.0 -49.3 360.0 10.8 4.1 40.6 212 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 213 28 X T > 0 0 65 0, 0.0 4,-4.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -30.9 17.3 5.9 38.8 214 29 X D H > + 0 0 132 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.962 360.0 38.6 -49.8 -61.8 19.6 5.2 35.8 215 30 X Y H 4 S+ 0 0 70 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.971 120.8 44.1 -51.0 -63.2 20.0 8.9 35.0 216 31 X L H >> S+ 0 0 3 1,-0.3 3,-2.1 2,-0.2 4,-1.7 0.882 111.3 53.7 -55.3 -45.6 20.1 10.0 38.6 217 32 X T H 3< S+ 0 0 54 -4,-4.4 -1,-0.3 1,-0.3 -2,-0.2 0.885 106.5 52.8 -55.6 -40.5 22.5 7.2 39.6 218 33 X D T 3< S+ 0 0 143 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