==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/SUBSTRATE 21-OCT-98 2FHE . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FASCIOLA HEPATICA; . AUTHOR G.POLEKHINA,J.ROSSJOHN,S.C.FEIL,M.W.PARKER . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.6 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 . 4 0.9 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 1 0 3 0 2 0 4 0 0 0 0 2 0 0 0 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 0 4 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 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 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 1 A P 0 0 99 0, 0.0 26,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.6 39.8 4.9 14.1 2 2 A A E -a 27 0A 8 24,-1.4 26,-3.5 57,-0.1 2,-0.5 -0.389 360.0-128.5 -73.1 151.9 37.0 6.2 16.3 3 3 A K E -aB 28 58A 69 55,-3.4 55,-2.4 24,-0.2 2,-0.4 -0.896 21.1-165.1-105.6 131.3 34.7 3.8 17.9 4 4 A L E -aB 29 57A 0 24,-3.1 26,-4.7 -2,-0.5 2,-0.5 -0.950 2.2-161.1-116.1 135.6 31.0 4.3 17.5 5 5 A G E +aB 30 56A 0 51,-2.3 51,-1.3 -2,-0.4 2,-0.3 -0.965 28.9 121.1-122.6 131.9 28.4 2.5 19.6 6 6 A Y E -a 31 0A 17 24,-1.7 26,-2.3 -2,-0.5 -2,-0.0 -0.972 58.7 -77.4-172.7 166.3 24.7 2.1 18.9 7 7 A W E -a 32 0A 58 -2,-0.3 2,-2.1 24,-0.2 26,-0.2 -0.268 54.6 -99.6 -68.3 160.2 21.9 -0.4 18.3 8 8 A K S S+ 0 0 93 24,-2.1 2,-0.3 23,-0.1 -1,-0.1 -0.338 94.3 92.8 -81.1 58.5 21.8 -2.2 15.0 9 9 A I S S- 0 0 4 -2,-2.1 193,-0.2 1,-0.2 4,-0.1 -0.828 81.4-118.3-137.2 174.6 19.1 0.2 13.7 10 10 A R S >> S+ 0 0 3 191,-2.3 4,-1.8 -2,-0.3 3,-1.0 0.955 71.9 116.0 -79.5 -63.7 19.0 3.4 11.8 11 11 A G T 34 S- 0 0 6 191,-2.5 3,-0.3 190,-0.2 192,-0.1 0.090 91.7 -15.8 35.6-128.7 17.4 5.6 14.4 12 12 A L T 34 S+ 0 0 90 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.667 133.1 59.8 -79.4 -18.6 19.7 8.4 15.7 13 13 A Q T X> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.2 3,-0.9 0.714 79.3 84.1 -85.5 -21.5 23.0 7.1 14.4 14 14 A Q H 3X S+ 0 0 1 -4,-1.8 4,-2.4 -3,-0.3 5,-0.2 0.886 88.8 51.3 -51.4 -48.6 22.2 7.0 10.6 15 15 A P H 3> S+ 0 0 17 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.841 110.2 51.7 -60.1 -29.7 23.1 10.7 9.9 16 16 A V H <> S+ 0 0 2 -3,-0.9 4,-2.5 -4,-0.3 -2,-0.2 0.904 109.0 48.8 -72.1 -42.3 26.4 10.2 11.7 17 17 A R H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.931 111.7 50.1 -61.6 -45.9 27.3 7.1 9.6 18 18 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.902 112.0 47.4 -59.2 -44.9 26.4 8.9 6.4 19 19 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.901 109.9 52.1 -64.9 -42.6 28.6 11.9 7.4 20 20 A L H <>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 4,-0.3 0.898 111.4 48.0 -60.8 -40.2 31.5 9.8 8.4 21 21 A E H <5S+ 0 0 30 -4,-2.2 3,-0.4 3,-0.2 -1,-0.2 0.812 108.3 56.2 -70.3 -31.1 31.3 8.0 5.0 22 22 A Y H <5S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.924 113.8 35.8 -69.3 -45.5 31.1 11.4 3.2 23 23 A L T <5S- 0 0 35 -4,-2.1 -1,-0.2 164,-0.0 -2,-0.2 0.333 111.4-115.4 -92.2 9.5 34.3 12.9 4.5 24 24 A G T 5 + 0 0 60 -3,-0.4 2,-0.4 -4,-0.3 -3,-0.2 0.836 51.4 167.5 65.1 37.1 36.2 9.6 4.6 25 25 A E < - 0 0 57 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.672 34.6-127.3 -84.2 134.1 36.7 9.3 8.3 26 26 A K + 0 0 161 -2,-0.4 -24,-1.4 2,-0.0 2,-0.3 -0.701 42.0 161.9 -82.8 129.0 37.9 5.9 9.4 27 27 A Y E -a 2 0A 37 -2,-0.4 2,-0.5 -26,-0.3 -24,-0.2 -0.985 35.5-138.2-149.1 158.6 35.7 4.4 12.2 28 28 A E E -a 3 0A 108 -26,-3.5 -24,-3.1 -2,-0.3 2,-0.6 -0.973 21.0-145.1-118.7 125.6 34.8 1.2 14.0 29 29 A E E -a 4 0A 36 -2,-0.5 2,-1.1 -26,-0.2 -24,-0.2 -0.814 2.8-156.4 -97.0 123.2 31.2 0.5 14.8 30 30 A Q E -a 5 0A 73 -26,-4.7 -24,-1.7 -2,-0.6 2,-0.3 -0.832 24.3-158.3 -97.1 97.2 30.4 -1.4 18.0 31 31 A I E -a 6 0A 51 -2,-1.1 2,-0.6 -26,-0.2 -24,-0.2 -0.632 10.2-154.4 -83.4 131.5 27.0 -2.7 17.1 32 32 A Y E -a 7 0A 5 -26,-2.3 -24,-2.1 -2,-0.3 5,-0.0 -0.928 17.9-144.7-108.0 117.1 24.5 -3.8 19.7 33 33 A E > - 0 0 86 -2,-0.6 3,-2.2 -26,-0.2 4,-0.1 -0.147 33.5 -88.5 -74.0 172.2 22.0 -6.4 18.5 34 34 A R T 3 S+ 0 0 112 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.771 128.6 40.7 -51.9 -31.9 18.4 -6.8 19.4 35 35 A D T 3 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.065 88.6 93.0-108.1 24.7 19.2 -9.0 22.4 36 36 A D <> + 0 0 27 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.250 47.4 110.3-100.2 12.2 22.3 -7.1 23.6 37 37 A G H > S+ 0 0 20 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.923 81.3 45.6 -49.9 -53.4 20.4 -4.9 26.1 38 38 A E H > S+ 0 0 168 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.925 109.0 57.3 -55.9 -47.9 22.0 -6.6 29.1 39 39 A K H > S+ 0 0 109 -4,-0.2 4,-1.0 1,-0.2 3,-0.3 0.915 113.3 39.9 -49.9 -46.9 25.3 -6.4 27.4 40 40 A W H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.923 112.6 52.7 -71.4 -46.3 24.9 -2.6 27.2 41 41 A F H < S+ 0 0 127 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.640 108.7 52.8 -67.9 -11.3 23.4 -2.0 30.6 42 42 A S H < S+ 0 0 80 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.772 119.4 31.1 -93.0 -28.7 26.2 -3.9 32.3 43 43 A K H >X S+ 0 0 53 -4,-1.0 3,-3.4 -3,-0.5 4,-0.8 0.520 90.4 101.8-103.3 -9.9 29.1 -2.0 30.7 44 44 A K T 3< S+ 0 0 42 -4,-1.9 3,-0.4 1,-0.3 5,-0.3 0.831 91.2 36.8 -42.3 -44.7 27.1 1.3 30.5 45 45 A F T 34 S+ 0 0 114 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.167 110.3 64.1 -99.3 20.4 28.9 2.7 33.5 46 46 A E T <4 S+ 0 0 151 -3,-3.4 -2,-0.2 1,-0.1 -1,-0.2 0.426 79.4 79.6-117.9 -4.2 32.3 1.0 32.8 47 47 A L S < S- 0 0 42 -4,-0.8 -2,-0.1 -3,-0.4 -3,-0.1 0.498 100.5-115.6 -84.3 -5.5 33.2 2.8 29.6 48 48 A G + 0 0 54 1,-0.3 2,-0.4 -4,-0.1 -3,-0.1 0.718 60.9 154.0 78.3 20.2 34.4 6.1 31.2 49 49 A L - 0 0 16 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.683 43.2-143.4 -84.8 134.3 31.6 8.1 29.6 50 50 A D S S+ 0 0 68 -2,-0.4 -1,-0.1 1,-0.3 302,-0.1 0.875 98.6 17.1 -63.6 -40.6 30.7 11.3 31.5 51 51 A L S S- 0 0 3 2,-0.1 -1,-0.3 301,-0.1 15,-0.0 -0.710 95.0-140.4-135.9 80.8 27.0 11.0 30.7 52 52 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 13,-0.1 -0.043 43.2 122.5 -45.4 133.3 26.5 7.3 29.5 53 53 A N - 0 0 59 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.972 54.6 -65.3-177.4 173.5 24.1 6.7 26.6 54 54 A L S S+ 0 0 17 -2,-0.3 13,-0.2 11,-0.1 -48,-0.1 -0.993 105.3 41.8-122.8 130.8 23.7 5.3 23.1 55 55 A P S S+ 0 0 2 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.520 77.5 174.1 -79.8 166.9 25.1 6.3 20.8 56 56 A Y E -BC 5 65A 3 -51,-1.3 -51,-2.3 9,-0.2 2,-0.4 -0.944 17.6-152.3-133.7 155.7 28.6 7.0 22.1 57 57 A Y E +BC 4 64A 3 7,-2.7 7,-3.0 -2,-0.3 2,-0.4 -0.999 14.2 178.8-132.3 131.5 31.8 8.1 20.3 58 58 A I E +BC 3 63A 31 -55,-2.4 -55,-3.4 -2,-0.4 2,-0.3 -0.986 13.7 141.0-138.9 126.4 35.3 7.3 21.4 59 59 A D - 0 0 28 3,-2.4 -57,-0.1 -2,-0.4 -2,-0.0 -0.843 66.7 -77.2-145.5-177.8 38.7 8.2 19.9 60 60 A D S S+ 0 0 158 -2,-0.3 3,-0.1 1,-0.2 -58,-0.0 0.653 129.3 32.6 -62.1 -14.6 42.1 9.3 21.2 61 61 A K S S+ 0 0 137 1,-0.2 2,-0.3 242,-0.0 -1,-0.2 0.699 119.4 35.2-112.9 -26.7 40.9 12.8 21.8 62 62 A C - 0 0 14 2,-0.0 -3,-2.4 244,-0.0 2,-0.4 -0.967 41.1-168.7-140.8 151.1 37.3 12.6 22.8 63 63 A K E +C 58 0A 94 -2,-0.3 2,-0.3 -5,-0.2 -13,-0.2 -0.975 35.1 166.5-131.9 111.9 34.6 10.5 24.6 64 64 A L E -C 57 0A 2 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.3 -0.907 25.1-172.1-133.0 160.0 31.1 11.7 23.8 65 65 A T E +C 56 0A 1 -2,-0.3 -9,-0.2 -9,-0.2 248,-0.1 -0.845 50.5 77.5-136.2 169.6 27.4 10.8 24.0 66 66 A Q S > S- 0 0 22 -11,-0.8 4,-2.5 -2,-0.3 3,-0.4 0.703 71.2-123.4 88.5 109.9 24.4 12.6 22.5 67 67 A S H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.844 110.5 48.3 -49.7 -41.1 23.8 12.0 18.8 68 68 A L H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 110.1 50.7 -72.3 -35.0 23.8 15.7 17.9 69 69 A A H > S+ 0 0 0 -3,-0.4 4,-1.4 240,-0.2 -2,-0.2 0.904 113.0 47.8 -66.8 -39.9 27.1 16.4 19.9 70 70 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 3,-0.3 0.940 112.3 47.7 -65.9 -47.1 28.7 13.5 18.0 71 71 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 112.8 49.6 -58.9 -45.4 27.5 14.6 14.6 72 72 A R H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.732 104.0 59.3 -67.9 -25.8 28.7 18.2 15.3 73 73 A Y H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.2 0.959 110.1 41.4 -67.2 -51.0 32.1 17.1 16.4 74 74 A I H X S+ 0 0 0 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.899 117.9 48.2 -62.4 -40.7 32.8 15.4 13.1 75 75 A A H <>S+ 0 0 0 -4,-2.1 5,-2.9 -5,-0.2 6,-0.4 0.883 110.7 51.2 -66.6 -40.8 31.2 18.4 11.3 76 76 A D H ><5S+ 0 0 19 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.951 106.9 53.1 -61.6 -50.0 33.3 20.8 13.4 77 77 A K H 3<5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.748 112.6 47.1 -59.0 -21.6 36.5 19.0 12.6 78 78 A H T 3<5S- 0 0 73 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.149 118.6-107.9-108.3 20.1 35.6 19.3 8.9 79 79 A G T < 5S+ 0 0 67 -3,-2.2 -3,-0.2 1,-0.1 3,-0.2 0.710 83.1 120.0 65.2 27.5 34.6 23.0 8.9 80 80 A M < + 0 0 25 -5,-2.9 -4,-0.2 1,-0.1 -5,-0.1 0.402 49.9 81.9-102.0 3.3 30.8 22.6 8.6 81 81 A I S S- 0 0 7 -6,-0.4 10,-0.2 1,-0.2 11,-0.2 0.745 100.7 -92.6 -82.1 -23.8 29.7 24.3 11.8 82 82 A G - 0 0 12 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.179 15.9-126.4 119.9 144.7 29.8 28.0 10.7 83 83 A T S S+ 0 0 116 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.650 88.5 40.5 -98.8 -19.2 32.4 30.8 10.9 84 84 A T S > S- 0 0 62 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.780 85.9-110.0-123.4 170.4 30.4 33.5 12.6 85 85 A S H > S+ 0 0 28 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.884 118.8 50.9 -67.2 -37.6 27.9 33.5 15.4 86 86 A E H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 113.5 45.3 -66.4 -41.6 25.0 34.3 13.1 87 87 A E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.913 112.0 50.0 -68.9 -43.1 26.0 31.4 10.8 88 88 A R H X S+ 0 0 51 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.865 111.4 50.5 -63.3 -34.7 26.5 28.9 13.6 89 89 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.882 108.1 51.5 -70.1 -39.5 23.1 29.8 15.1 90 90 A R H X S+ 0 0 99 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.872 109.2 51.4 -64.8 -35.5 21.4 29.4 11.7 91 91 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 -10,-0.2 -2,-0.2 0.939 109.5 49.3 -66.2 -45.6 23.0 25.9 11.5 92 92 A S H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.831 107.3 55.9 -62.4 -33.8 21.8 25.0 15.0 93 93 A M H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.939 108.1 47.2 -63.6 -47.2 18.3 26.2 14.0 94 94 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.910 111.7 51.2 -61.5 -42.4 18.3 23.8 11.0 95 95 A E H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.919 109.4 50.5 -60.3 -45.9 19.5 20.9 13.2 96 96 A G H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.902 111.6 46.7 -59.6 -42.9 16.8 21.6 15.8 97 97 A A H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.855 111.9 51.6 -67.5 -35.7 14.1 21.6 13.1 98 98 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.828 108.3 51.4 -69.7 -33.3 15.6 18.4 11.7 99 99 A V H X S+ 0 0 47 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.922 109.2 51.0 -69.0 -41.8 15.5 16.8 15.1 100 100 A D H X S+ 0 0 67 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.908 108.7 52.5 -59.3 -43.5 11.8 17.8 15.4 101 101 A L H X S+ 0 0 9 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.921 116.4 37.2 -60.5 -46.7 11.1 16.2 12.0 102 102 A R H X S+ 0 0 21 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.869 116.2 52.7 -75.3 -36.9 12.7 12.9 12.9 103 103 A Q H X S+ 0 0 59 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.750 100.0 64.4 -71.0 -24.2 11.4 12.9 16.5 104 104 A G H X S+ 0 0 10 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.936 108.9 37.3 -63.9 -46.8 7.8 13.5 15.3 105 105 A I H X S+ 0 0 0 -4,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.842 115.2 56.6 -72.9 -33.7 7.6 10.2 13.6 106 106 A S H X S+ 0 0 29 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.894 103.1 55.5 -63.5 -41.9 9.6 8.5 16.3 107 107 A R H < S+ 0 0 144 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.953 112.9 37.6 -57.2 -56.9 7.1 9.7 19.0 108 108 A I H >< S+ 0 0 16 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.766 111.1 62.7 -69.4 -25.3 4.0 8.2 17.4 109 109 A S H 3< S+ 0 0 0 -4,-1.7 99,-2.7 1,-0.2 100,-1.0 0.788 106.3 42.2 -71.8 -30.3 5.9 5.0 16.3 110 110 A Y T 3< S+ 0 0 85 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.373 95.0 103.7 -95.8 2.8 6.8 3.9 19.8 111 111 A Q S X S- 0 0 36 -3,-0.5 3,-2.1 -4,-0.3 4,-0.2 -0.714 71.0-141.2 -87.8 131.1 3.4 4.8 21.1 112 112 A P T 3 S+ 0 0 99 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.844 106.9 56.2 -58.5 -30.9 1.0 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