==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUL-04 1U3I . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 28 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR J.CHOMILIER,M.-C.VANEY,G.LABESSE,F.TROTTEIN,A.CAPRON,J.-P.MO . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 0 0 1 1 2 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 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 E 0 0 177 0, 0.0 2,-0.6 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 141.6 1.4 65.1 16.6 2 5 A H E -A 56 0A 101 54,-3.2 54,-2.8 55,-0.1 2,-0.5 -0.980 360.0-158.3 -96.7 123.0 4.8 66.3 17.4 3 6 A I E -A 55 0A 10 -2,-0.6 26,-3.2 24,-0.4 2,-0.5 -0.901 13.0-173.2-109.8 126.2 6.1 63.7 19.9 4 7 A K E -Ab 54 29A 46 50,-2.4 50,-2.6 -2,-0.5 2,-0.6 -0.978 8.8-158.4-119.9 121.8 8.9 64.5 22.4 5 8 A V E -Ab 53 30A 0 24,-3.0 26,-3.0 -2,-0.5 2,-0.6 -0.895 12.1-161.7-100.4 122.5 10.3 61.7 24.5 6 9 A I E +Ab 52 31A 10 46,-2.9 46,-1.7 -2,-0.6 2,-0.3 -0.921 29.5 126.2-114.3 120.5 12.0 63.2 27.6 7 10 A Y E - b 0 32A 19 24,-2.3 26,-2.8 -2,-0.6 2,-0.1 -0.911 58.9 -78.6-153.5 177.7 14.4 61.0 29.5 8 11 A F E - b 0 33A 30 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.248 65.1 -82.5 -72.5 175.4 17.9 60.9 30.9 9 12 A D S S+ 0 0 78 24,-0.8 2,-0.3 23,-0.1 199,-0.2 -0.525 102.3 76.7 -85.7 76.0 20.8 60.1 28.5 10 13 A G S S- 0 0 0 -2,-2.2 4,-0.1 1,-0.2 195,-0.0 -0.968 84.7-111.3-165.9 172.8 20.3 56.4 28.7 11 14 A R S >> S+ 0 0 15 -2,-0.3 3,-1.2 3,-0.1 4,-1.2 0.974 72.4 120.7 -77.1 -67.1 18.2 53.6 27.5 12 15 A G G >4 S- 0 0 14 196,-3.0 3,-0.6 1,-0.3 4,-0.3 0.011 89.7 -18.4 47.1-136.6 16.6 52.8 30.9 13 16 A R G 34 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.587 134.1 62.0 -80.5 -14.1 12.8 53.0 31.1 14 17 A A G X> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 3,-0.7 0.666 80.9 82.4 -82.1 -19.0 12.5 55.2 27.9 15 18 A E H S+ 0 0 11 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.3 0.860 110.7 46.9 -60.1 -35.3 10.6 50.6 25.2 17 20 A I H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.3 5,-0.2 0.941 112.7 48.0 -73.3 -48.1 9.0 53.9 24.1 18 21 A R H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.940 113.5 47.4 -56.8 -48.5 11.7 54.8 21.6 19 22 A M H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.863 109.4 53.6 -64.7 -35.1 11.8 51.3 20.1 20 23 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.949 111.5 44.8 -63.9 -48.4 8.0 51.2 19.8 21 24 A L H X>S+ 0 0 3 -4,-2.4 5,-2.7 2,-0.2 4,-0.9 0.940 114.8 49.5 -59.9 -46.3 8.0 54.5 17.9 22 25 A V H ><5S+ 0 0 21 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.942 112.1 46.8 -57.3 -49.8 10.9 53.4 15.7 23 26 A A H 3<5S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.871 113.9 48.7 -62.6 -36.3 9.3 50.0 14.9 24 27 A A H 3<5S- 0 0 24 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.571 114.5-118.7 -80.5 -10.9 6.0 51.7 14.1 25 28 A G T <<5 + 0 0 44 -4,-0.9 2,-0.5 -3,-0.9 -3,-0.2 0.838 60.9 149.9 76.5 35.2 7.8 54.3 11.9 26 29 A V < - 0 0 35 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.882 43.2-131.2-104.5 123.7 6.7 57.3 13.9 27 30 A D + 0 0 153 -2,-0.5 -24,-0.4 -5,-0.0 2,-0.3 -0.473 35.2 166.9 -72.1 143.1 9.0 60.3 14.0 28 31 A Y - 0 0 52 -2,-0.1 2,-0.5 -26,-0.1 -24,-0.2 -0.977 37.9-113.4-150.9 160.3 9.8 61.7 17.5 29 32 A E E -b 4 0A 73 -26,-3.2 -24,-3.0 -2,-0.3 2,-0.9 -0.883 25.7-147.1 -97.3 129.0 12.1 64.1 19.2 30 33 A D E -b 5 0A 53 -2,-0.5 2,-0.7 -26,-0.2 -24,-0.2 -0.843 16.0-169.8-102.7 101.2 14.5 62.4 21.6 31 34 A E E -b 6 0A 68 -26,-3.0 -24,-2.3 -2,-0.9 2,-0.5 -0.843 1.5-169.1 -98.0 116.8 15.1 64.8 24.4 32 35 A R E -b 7 0A 58 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.918 5.7-155.1-115.3 124.0 17.9 63.7 26.7 33 36 A I E -b 8 0A 11 -26,-2.8 -24,-0.8 -2,-0.5 2,-0.1 -0.808 14.2-130.2-100.9 131.5 18.5 65.5 30.0 34 37 A S >> - 0 0 33 -2,-0.4 4,-1.2 -26,-0.2 3,-0.6 -0.443 20.5-122.0 -72.0 150.8 21.9 65.5 31.8 35 38 A F T 34 S+ 0 0 118 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.865 113.5 59.2 -60.3 -34.7 21.9 64.6 35.4 36 39 A Q T 34 S+ 0 0 144 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.833 110.6 42.0 -63.4 -30.4 23.5 68.0 36.2 37 40 A D T X> S+ 0 0 76 -3,-0.6 4,-1.3 1,-0.1 3,-0.9 0.650 92.0 87.4 -89.8 -20.0 20.5 69.7 34.7 38 41 A W H 3X S+ 0 0 38 -4,-1.2 4,-3.5 -3,-0.3 3,-0.5 0.857 81.0 55.6 -55.1 -47.1 17.7 67.5 36.1 39 42 A P H 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.838 111.5 48.6 -59.3 -29.6 17.2 69.3 39.5 40 43 A K H <4 S+ 0 0 162 -3,-0.9 -2,-0.2 -4,-0.2 4,-0.1 0.820 118.6 37.7 -73.4 -33.6 16.5 72.4 37.4 41 44 A I H >< S+ 0 0 50 -4,-1.3 3,-2.5 -3,-0.5 4,-0.5 0.764 94.4 83.5 -91.2 -30.5 14.1 70.7 35.0 42 45 A K G >< S+ 0 0 91 -4,-3.5 3,-1.4 1,-0.3 6,-0.2 0.831 85.2 58.7 -45.5 -45.1 12.3 68.4 37.5 43 46 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.736 104.2 53.9 -56.1 -22.2 9.8 71.2 38.6 44 47 A T G < S+ 0 0 92 -3,-2.5 -2,-0.2 -4,-0.1 -3,-0.1 0.475 89.3 84.7 -95.2 -6.8 8.6 71.5 35.0 45 48 A I S X S- 0 0 10 -3,-1.4 3,-2.2 -4,-0.5 2,-0.1 -0.887 88.0-114.9-100.0 125.5 7.7 67.9 34.3 46 49 A P T 3 S+ 0 0 51 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.370 105.5 11.2 -55.7 123.3 4.2 66.8 35.5 47 50 A G T 3 S- 0 0 70 1,-0.2 3,-0.1 -4,-0.1 -5,-0.0 0.207 107.1-111.7 88.2 -18.5 4.8 64.3 38.3 48 51 A G S < S+ 0 0 10 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.2 0.669 83.4 99.7 69.1 19.1 8.5 65.1 38.4 49 52 A R - 0 0 164 -3,-0.5 -1,-0.2 2,-0.1 18,-0.1 -0.946 64.7 -89.0-136.5 157.1 9.8 61.8 37.1 50 53 A L S S+ 0 0 24 -2,-0.3 -43,-0.1 -3,-0.1 2,-0.1 -0.846 85.5 51.7-118.6 154.7 11.0 60.5 33.7 51 54 A P + 0 0 8 0, 0.0 16,-0.7 0, 0.0 2,-0.3 0.442 65.3 161.4 -78.6 157.9 10.2 59.3 31.2 52 55 A A E -AC 6 66A 0 -46,-1.7 -46,-2.9 14,-0.2 2,-0.5 -0.974 26.5-146.9-135.3 150.7 7.5 61.7 30.1 53 56 A V E -AC 5 65A 0 12,-2.6 12,-2.6 -2,-0.3 2,-0.6 -0.984 6.6-157.9-123.7 124.2 6.2 62.2 26.6 54 57 A K E -AC 4 64A 68 -50,-2.6 -50,-2.4 -2,-0.5 2,-0.5 -0.929 9.5-165.4-105.7 122.3 5.0 65.6 25.5 55 58 A V E -AC 3 63A 11 8,-3.4 8,-2.7 -2,-0.6 2,-0.5 -0.939 3.6-170.6-116.4 124.5 2.6 65.5 22.6 56 59 A T E +AC 2 62A 34 -54,-2.8 -54,-3.2 -2,-0.5 6,-0.2 -0.969 8.8 172.7-117.1 123.1 1.9 68.6 20.6 57 60 A D - 0 0 33 4,-2.2 -1,-0.1 -2,-0.5 -55,-0.1 0.332 37.7-121.9 -86.6-134.0 -0.9 68.9 18.0 58 61 A D S S+ 0 0 136 -57,-0.0 4,-0.1 4,-0.0 -2,-0.0 0.247 98.2 58.2-146.6 -13.1 -1.8 72.3 16.4 59 62 A H S S- 0 0 164 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.965 128.1 -0.3 -85.7 -72.9 -5.5 72.4 17.4 60 63 A G S S- 0 0 53 1,-0.2 2,-0.2 3,-0.0 -4,-0.0 0.927 98.7-148.1 -72.3 -90.5 -5.8 72.1 21.2 61 64 A H + 0 0 98 -6,-0.1 -4,-2.2 0, 0.0 2,-0.4 -0.748 47.7 38.0 172.7 -85.3 -2.1 71.9 21.9 62 65 A V E +C 56 0A 64 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.700 43.8 175.8 -96.9 133.9 -0.1 70.0 24.6 63 66 A K E -C 55 0A 139 -8,-2.7 -8,-3.4 -2,-0.4 2,-0.4 -0.993 16.5-150.7-126.2 137.7 -0.8 66.6 26.1 64 67 A W E -C 54 0A 91 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.901 8.6-166.3-108.5 139.0 1.5 65.0 28.6 65 68 A M E -C 53 0A 51 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.3 -0.984 7.9-175.9-125.4 137.1 1.9 61.2 29.0 66 69 A L E +C 52 0A 77 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.852 43.9 61.0-124.8 164.4 3.5 59.5 31.9 67 70 A E >> - 0 0 106 -16,-0.7 4,-2.7 -2,-0.3 3,-0.9 0.885 68.5-129.0 83.5 99.3 4.4 55.9 32.9 68 71 A S H 3> S+ 0 0 5 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.808 101.5 36.9 -52.0 -52.3 6.8 54.3 30.5 69 72 A L H 3> S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.702 113.8 57.2 -81.7 -17.6 5.1 51.0 29.7 70 73 A A H <> S+ 0 0 51 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.917 111.6 44.4 -67.1 -46.6 1.6 52.5 29.8 71 74 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.950 114.4 48.7 -57.4 -52.5 2.9 54.9 27.1 72 75 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.890 111.7 49.0 -56.7 -45.1 4.5 52.0 25.2 73 76 A R H X S+ 0 0 76 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.876 110.9 50.0 -64.7 -39.6 1.4 49.8 25.4 74 77 A Y H X S+ 0 0 119 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.944 114.3 43.9 -63.5 -46.8 -0.8 52.6 24.2 75 78 A M H X S+ 0 0 16 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.901 114.3 50.6 -65.6 -39.2 1.5 53.4 21.2 76 79 A A H <>S+ 0 0 0 -4,-2.7 5,-3.0 -5,-0.2 6,-0.3 0.911 108.9 51.4 -64.9 -40.7 1.8 49.7 20.5 77 80 A K H ><5S+ 0 0 155 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.923 107.5 53.1 -61.1 -44.9 -1.9 49.2 20.5 78 81 A K H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 114.7 43.1 -59.6 -29.7 -2.4 52.1 18.1 79 82 A H T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.091 116.8-108.0-109.8 24.0 0.1 50.4 15.8 80 83 A H T < 5S+ 0 0 167 -3,-1.6 3,-0.2 1,-0.1 -3,-0.2 0.851 81.3 124.5 58.3 43.1 -1.1 46.8 16.0 81 84 A M < + 0 0 11 -5,-3.0 74,-2.6 -8,-0.1 75,-0.3 0.052 50.7 77.0-119.5 23.6 1.8 45.6 18.1 82 85 A M S S- 0 0 18 1,-0.4 10,-0.2 -6,-0.3 11,-0.2 0.180 110.7 -75.4-114.3 19.4 -0.1 44.1 21.1 83 86 A G - 0 0 24 -3,-0.2 -1,-0.4 70,-0.2 -3,-0.0 -0.038 29.5-116.0 102.3 150.2 -1.3 40.9 19.4 84 87 A E S S+ 0 0 126 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.532 96.1 30.0 -97.9 -12.2 -4.0 40.1 16.8 85 88 A T S > S- 0 0 68 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.907 89.5-103.8-136.1 169.2 -6.1 37.9 19.1 86 89 A D H > S+ 0 0 124 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.858 122.1 53.9 -62.2 -33.7 -6.8 37.8 22.8 87 90 A E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 108.1 48.5 -70.9 -36.4 -4.5 34.8 23.2 88 91 A E H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.874 108.4 55.1 -66.4 -37.3 -1.7 36.7 21.4 89 92 A Y H X S+ 0 0 123 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.926 107.7 49.4 -61.2 -45.9 -2.3 39.7 23.8 90 93 A Y H X S+ 0 0 143 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.925 110.8 50.0 -54.9 -47.2 -1.9 37.3 26.7 91 94 A S H X S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.883 110.2 50.4 -62.5 -38.8 1.4 36.0 25.2 92 95 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.946 113.9 44.5 -60.8 -50.7 2.7 39.5 24.7 93 96 A E H X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.842 109.6 56.4 -66.0 -33.3 1.9 40.4 28.3 94 97 A K H X S+ 0 0 62 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.941 109.9 44.0 -63.3 -45.8 3.3 37.2 29.6 95 98 A L H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.889 111.3 55.2 -69.6 -36.3 6.7 37.9 28.0 96 99 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.940 108.6 48.0 -57.0 -47.0 6.6 41.5 29.1 97 100 A G H X S+ 0 0 35 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.907 113.3 47.1 -62.0 -41.1 6.1 40.3 32.7 98 101 A Q H X S+ 0 0 27 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.931 113.3 47.9 -65.3 -45.1 9.0 37.9 32.5 99 102 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.885 109.3 54.1 -62.8 -40.2 11.3 40.4 30.9 100 103 A E H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.832 102.5 57.6 -65.7 -30.7 10.3 42.9 33.6 101 104 A D H X S+ 0 0 90 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.853 106.4 48.8 -65.9 -34.2 11.3 40.4 36.3 102 105 A V H X S+ 0 0 1 -4,-1.3 4,-2.4 -3,-0.3 3,-0.3 0.918 109.8 52.2 -69.2 -44.9 14.8 40.3 34.8 103 106 A E H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.880 103.6 57.9 -55.0 -41.3 14.8 44.1 34.8 104 107 A H H X S+ 0 0 109 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.889 108.0 46.8 -56.6 -40.6 13.9 44.1 38.5 105 108 A E H >< S+ 0 0 8 -4,-1.3 3,-1.2 -3,-0.3 4,-0.4 0.949 111.1 50.7 -66.9 -48.1 17.0 42.0 39.2 106 109 A Y H >< S+ 0 0 7 -4,-2.4 3,-2.1 1,-0.2 4,-0.3 0.891 101.4 63.8 -52.3 -43.9 19.2 44.3 37.1 107 110 A H H >< S+ 0 0 118 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.750 87.9 70.4 -55.1 -28.8 17.8 47.3 39.0 108 111 A K T << S+ 0 0 75 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.727 94.5 55.9 -61.2 -23.3 19.4 46.0 42.2 109 112 A T T X S+ 0 0 6 -3,-2.1 3,-0.8 -4,-0.4 -1,-0.2 0.551 83.9 105.1 -87.5 -11.0 22.8 46.8 40.8 110 113 A L T < S+ 0 0 53 -3,-1.3 98,-0.0 -4,-0.3 -3,-0.0 -0.495 85.8 7.6 -79.3 144.0 22.2 50.5 40.2 111 114 A M T 3 S+ 0 0 189 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 0.782 95.9 132.6 59.5 33.3 23.6 53.2 42.5 112 115 A K < - 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