==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLUTATHIONE TRANSFERASE 07-JUN-93 2GST . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR X.JI,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 67.5 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 . 18 4.1 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 . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 40.8 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 2 0 0 2 0 2 1 4 1 0 0 0 2 0 0 0 0 0 0 1 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 . 0 0 2 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 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 0 103 0, 0.0 64,-0.3 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0-176.2 -3.8 24.7 37.4 2 2 A M E -a 27 0A 14 24,-2.7 26,-2.8 62,-0.1 2,-0.5 -0.538 360.0-138.5 -79.6 153.4 -1.4 22.9 35.1 3 3 A I E -aB 28 63A 39 60,-2.6 60,-2.6 24,-0.2 2,-0.5 -0.986 14.7-167.8-118.1 124.2 2.0 22.3 36.6 4 4 A L E -aB 29 62A 0 24,-2.4 26,-2.9 -2,-0.5 2,-0.5 -0.922 7.6-166.5-108.8 128.7 5.3 22.7 34.7 5 5 A G E +aB 30 61A 0 56,-2.4 56,-1.4 -2,-0.5 2,-0.3 -0.935 26.0 124.2-110.5 134.1 8.5 21.3 36.2 6 6 A Y E -a 31 0A 21 24,-2.2 26,-2.2 -2,-0.5 5,-0.0 -0.955 60.3 -68.2-168.0 172.1 12.0 22.1 35.1 7 7 A W E -a 32 0A 38 -2,-0.3 2,-1.3 24,-0.3 26,-0.2 -0.125 54.4-102.2 -61.1 158.4 15.4 23.3 36.3 8 8 A N S S+ 0 0 68 24,-2.4 2,-0.3 23,-0.2 -1,-0.1 -0.181 97.5 80.9 -84.6 46.7 15.6 27.0 37.3 9 9 A V S S- 0 0 14 -2,-1.3 198,-0.2 1,-0.1 4,-0.1 -0.886 90.9-109.4-139.6 174.2 17.3 27.9 34.0 10 10 A R >> + 0 0 0 196,-2.7 3,-1.7 -2,-0.3 4,-0.6 0.951 64.3 143.3 -78.7 -43.1 16.1 28.6 30.5 11 11 A G T 34 S- 0 0 11 196,-2.2 3,-0.2 1,-0.3 -1,-0.1 -0.250 83.0 -36.2 50.5-128.2 17.6 25.3 29.1 12 12 A L T 34 S+ 0 0 43 1,-0.1 -1,-0.3 -3,-0.1 4,-0.2 0.159 126.2 84.4-110.3 18.2 15.2 23.8 26.5 13 13 A T T X> + 0 0 0 -3,-1.7 4,-2.1 1,-0.2 3,-1.0 0.593 54.5 96.1 -95.0 -11.7 12.1 25.0 28.3 14 14 A H H 3X S+ 0 0 0 -4,-0.6 4,-2.8 1,-0.3 5,-0.2 0.867 82.9 54.5 -44.3 -52.3 11.8 28.6 27.0 15 15 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.856 108.2 49.7 -57.0 -33.9 9.3 27.6 24.3 16 16 A I H <> S+ 0 0 0 -3,-1.0 4,-2.9 -4,-0.2 -2,-0.2 0.890 111.2 47.1 -71.4 -46.9 7.0 25.9 26.8 17 17 A R H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.940 114.6 48.7 -56.6 -45.2 7.0 28.9 29.1 18 18 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.910 112.1 48.2 -59.6 -48.2 6.4 31.2 26.2 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.887 108.7 53.1 -64.9 -40.6 3.5 29.0 24.8 20 20 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 -1,-0.2 0.874 113.9 44.0 -57.2 -42.7 1.9 28.8 28.2 21 21 A E H ><5S+ 0 0 25 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.911 111.1 51.7 -71.0 -40.5 1.9 32.6 28.4 22 22 A Y H 3<5S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 111.6 49.2 -66.2 -31.7 0.7 33.2 24.9 23 23 A T T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.329 107.1-124.0 -83.4 -4.3 -2.2 30.9 25.4 24 24 A D T < 5 + 0 0 113 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.858 48.7 174.8 54.0 39.1 -3.3 32.5 28.7 25 25 A S < - 0 0 21 -5,-2.2 2,-0.8 -6,-0.2 -1,-0.2 -0.514 36.3-123.0 -73.5 144.9 -3.0 29.0 30.3 26 26 A S + 0 0 92 -2,-0.1 -24,-2.7 2,-0.0 2,-0.3 -0.901 55.2 149.6 -87.4 109.3 -3.5 28.7 34.1 27 27 A Y E -a 2 0A 37 -2,-0.8 2,-0.4 -26,-0.3 -24,-0.2 -0.980 38.0-155.7-146.4 156.2 -0.2 27.2 35.2 28 28 A E E -a 3 0A 102 -26,-2.8 -24,-2.4 -2,-0.3 2,-0.4 -0.968 20.8-140.3-124.1 146.5 2.2 27.0 38.1 29 29 A E E -a 4 0A 46 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.870 8.5-155.9-109.4 154.5 5.9 26.2 37.8 30 30 A K E -a 5 0A 78 -26,-2.9 -24,-2.2 -2,-0.4 2,-0.7 -0.989 17.3-165.1-120.7 104.0 8.2 24.1 39.9 31 31 A R E -a 6 0A 76 -2,-0.6 -24,-0.3 -26,-0.2 -23,-0.2 -0.885 8.5-150.3 -97.3 107.1 11.7 25.3 39.2 32 32 A Y E -a 7 0A 0 -26,-2.2 -24,-2.4 -2,-0.7 2,-0.4 -0.322 7.2-139.5 -79.5 135.0 14.3 22.8 40.5 33 33 A A - 0 0 41 -26,-0.2 2,-0.4 -2,-0.1 11,-0.4 -0.821 6.7-154.0 -99.6 144.5 17.7 24.1 41.7 34 34 A M - 0 0 20 -2,-0.4 8,-0.2 9,-0.1 7,-0.1 -0.930 21.9-125.8-110.3 136.7 20.9 22.3 41.0 35 35 A G - 0 0 23 6,-2.1 175,-0.2 -2,-0.4 2,-0.1 -0.141 31.0 -95.9 -74.1 175.8 23.8 22.9 43.4 36 36 A D >> - 0 0 103 1,-0.2 4,-1.9 4,-0.1 3,-0.6 -0.352 58.5 -29.7 -89.0 177.5 27.3 24.1 42.3 37 37 A A T 34 S+ 0 0 58 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 -0.181 105.7 27.5 -63.2 157.8 30.5 22.3 41.6 38 38 A P T 34 S+ 0 0 119 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.998 132.9 22.6 -92.4 -8.1 32.0 19.9 42.2 39 39 A D T <4 S- 0 0 117 -3,-0.6 -2,-0.2 2,-0.0 3,-0.2 0.664 77.0-154.2 -89.1 -25.4 29.0 17.6 43.1 40 40 A Y < - 0 0 61 -4,-1.9 -3,-0.1 1,-0.2 -4,-0.1 0.914 22.4-140.9 50.4 62.5 26.3 19.5 41.3 41 41 A D - 0 0 75 -5,-0.5 -6,-2.1 1,-0.1 3,-0.2 -0.211 28.2-179.9 -61.1 129.7 23.6 18.2 43.6 42 42 A R >> + 0 0 104 -8,-0.2 4,-2.6 -3,-0.2 3,-1.4 0.178 40.7 121.9-114.0 11.6 20.3 17.2 41.9 43 43 A S H 3> + 0 0 44 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.780 61.9 65.3 -46.4 -36.4 18.4 16.1 45.0 44 44 A Q H 34 S+ 0 0 83 -11,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.849 117.4 29.8 -57.3 -38.5 15.4 18.5 44.8 45 45 A W H X> S+ 0 0 7 -3,-1.4 3,-1.9 -12,-0.3 4,-1.1 0.907 118.2 55.0 -83.3 -46.3 14.4 16.7 41.6 46 46 A L H 3< S+ 0 0 78 -4,-2.6 4,-0.4 1,-0.3 3,-0.2 0.782 98.2 65.1 -60.1 -31.6 15.8 13.3 42.4 47 47 A N T 3< S+ 0 0 123 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 0.713 119.8 22.0 -61.1 -23.3 13.7 13.2 45.6 48 48 A E T X4 S+ 0 0 44 -3,-1.9 3,-1.6 -5,-0.2 4,-0.2 0.484 87.8 106.7-124.3 1.0 10.6 13.2 43.5 49 49 A K G >< S+ 0 0 50 -4,-1.1 3,-0.5 1,-0.3 5,-0.3 0.820 93.8 35.4 -50.8 -41.1 11.5 11.9 40.1 50 50 A F G 3 S+ 0 0 147 -4,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.352 109.0 67.8-101.2 13.6 9.8 8.6 40.7 51 51 A K G < S+ 0 0 168 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.208 80.0 74.1-109.0 0.9 6.9 10.0 42.8 52 52 A L S < S- 0 0 40 -3,-0.5 -1,-0.1 -4,-0.2 -2,-0.1 0.340 99.7-115.9 -99.8 2.1 5.0 12.0 40.1 53 53 A G + 0 0 57 1,-0.2 2,-0.2 -3,-0.2 15,-0.1 0.622 58.6 159.1 73.6 16.2 3.4 9.1 38.2 54 54 A L - 0 0 17 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.475 41.6-142.9 -72.8 141.7 5.3 10.0 35.0 55 55 A D S S+ 0 0 74 1,-0.3 -1,-0.1 13,-0.3 303,-0.1 0.894 99.0 15.3 -66.9 -45.2 5.6 7.2 32.5 56 56 A F S S- 0 0 3 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.846 96.2-137.2-129.4 82.2 9.2 8.2 31.5 57 57 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.333 45.9 126.6 -50.9 134.6 10.3 10.5 34.3 58 58 A N - 0 0 54 -9,-0.1 -2,-0.1 2,-0.0 -4,-0.0 -0.956 51.3 -68.4-172.4 169.3 12.1 13.6 33.0 59 59 A L S S+ 0 0 17 -2,-0.3 2,-0.2 1,-0.1 -53,-0.1 -0.998 103.6 41.6-117.7 135.1 12.4 17.4 33.0 60 60 A P S S+ 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.424 77.5 169.3 -74.9 163.7 10.5 19.2 31.8 61 61 A Y E -BC 5 70A 4 -56,-1.4 -56,-2.4 -2,-0.2 2,-0.4 -0.913 19.8-154.4-133.6 151.2 7.2 17.6 32.7 62 62 A L E -BC 4 69A 0 7,-2.3 7,-3.3 -2,-0.3 2,-0.5 -0.993 3.4-165.0-127.2 128.9 3.7 18.9 32.4 63 63 A I E +BC 3 68A 24 -60,-2.6 -60,-2.6 -2,-0.4 2,-0.5 -0.978 11.1 173.5-113.4 121.1 0.8 17.8 34.6 64 64 A D E > - C 0 67A 39 3,-3.4 3,-2.0 -2,-0.5 2,-0.4 -0.854 63.2 -71.6-130.6 85.1 -2.6 18.7 33.3 65 65 A G T 3 S- 0 0 57 -2,-0.5 -1,-0.1 -64,-0.3 -62,-0.0 -0.417 119.5 -6.3 65.7-121.9 -5.1 17.1 35.6 66 66 A S T 3 S+ 0 0 110 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.826 119.4 93.2 -76.2 -25.3 -5.0 13.4 34.9 67 67 A R E < -C 64 0A 95 -3,-2.0 -3,-3.4 -4,-0.0 2,-0.5 -0.528 53.5-175.0 -77.9 126.0 -2.6 13.9 31.9 68 68 A K E -C 63 0A 74 -2,-0.3 2,-0.4 -5,-0.2 -13,-0.3 -0.996 7.7-175.2-124.4 121.6 1.1 13.7 32.7 69 69 A I E +C 62 0A 2 -7,-3.3 -7,-2.3 -2,-0.5 2,-0.3 -0.972 12.8 176.2-120.4 141.6 3.6 14.5 29.9 70 70 A T E +C 61 0A 4 -2,-0.4 -9,-0.2 -9,-0.2 250,-0.1 -0.774 48.4 70.9-126.5 169.9 7.4 14.4 29.4 71 71 A Q S >> S- 0 0 15 -11,-0.7 4,-2.0 -2,-0.3 3,-0.5 0.720 75.1-121.9 84.9 112.6 9.6 15.1 26.4 72 72 A S H 3> S+ 0 0 11 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.869 111.2 51.2 -51.5 -43.3 9.7 18.9 25.5 73 73 A N H 3> S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.902 108.2 52.4 -67.7 -32.9 8.3 18.4 22.0 74 74 A A H <> S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.869 110.0 48.1 -64.4 -43.8 5.4 16.3 23.3 75 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.947 111.1 51.1 -58.0 -48.6 4.5 19.0 25.7 76 76 A M H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.936 113.2 45.8 -55.5 -45.5 4.8 21.6 22.9 77 77 A R H X S+ 0 0 22 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.827 109.1 54.3 -70.9 -34.9 2.4 19.4 20.7 78 78 A Y H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.932 113.6 41.8 -60.8 -48.3 -0.1 18.8 23.5 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.895 112.6 55.2 -70.5 -32.3 -0.5 22.5 24.2 80 80 A A H <>S+ 0 0 0 -4,-2.5 5,-3.4 1,-0.2 6,-0.4 0.814 109.9 45.7 -63.4 -48.7 -0.5 23.3 20.4 81 81 A R H ><5S+ 0 0 45 -4,-2.0 3,-0.9 3,-0.2 -1,-0.2 0.904 110.1 54.5 -62.6 -43.6 -3.4 20.8 19.8 82 82 A K H 3<5S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 120.2 32.0 -59.2 -29.5 -5.3 22.2 22.8 83 83 A H T 3<5S- 0 0 69 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.229 111.3-111.0-116.2 12.9 -5.1 25.8 21.3 84 84 A H T < 5S+ 0 0 156 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.919 72.4 136.2 54.9 52.1 -5.1 25.1 17.6 85 85 A L < + 0 0 16 -5,-3.4 69,-2.7 -8,-0.1 70,-0.3 -0.096 38.1 104.6-112.9 27.5 -1.5 26.1 17.0 86 86 A C S S- 0 0 42 -6,-0.4 7,-0.1 67,-0.2 2,-0.1 -0.626 87.6 -81.0 -95.8 167.6 -0.7 23.1 14.8 87 87 A G - 0 0 13 -2,-0.2 -1,-0.1 5,-0.2 -2,-0.1 -0.413 34.9-155.1 -64.3 149.5 -0.3 23.4 11.0 88 88 A E S S+ 0 0 129 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.585 73.1 42.3-101.9 -16.5 -3.8 23.3 9.3 89 89 A T S > S- 0 0 66 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.847 90.3-105.9-122.4 167.0 -2.6 21.9 5.9 90 90 A E H > S+ 0 0 35 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.914 120.2 51.8 -59.9 -45.3 -0.2 19.3 4.8 91 91 A E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 111.7 46.8 -59.2 -44.9 2.4 21.9 3.7 92 92 A E H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.876 112.3 50.9 -66.1 -36.3 2.2 23.7 7.1 93 93 A R H X S+ 0 0 89 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.863 110.3 48.4 -66.1 -46.1 2.5 20.3 8.9 94 94 A I H X S+ 0 0 17 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.916 112.1 48.5 -61.3 -46.1 5.6 19.3 6.9 95 95 A R H X S+ 0 0 30 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.928 114.1 47.5 -61.9 -44.8 7.3 22.6 7.5 96 96 A A H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.910 110.7 51.1 -60.7 -48.4 6.4 22.4 11.3 97 97 A D H X S+ 0 0 5 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.902 113.5 44.9 -57.8 -49.5 7.7 18.8 11.5 98 98 A I H X S+ 0 0 5 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.965 114.2 47.7 -62.7 -47.0 11.0 19.7 9.9 99 99 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.878 107.7 56.1 -63.9 -44.4 11.6 22.9 11.9 100 100 A E H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.919 115.9 37.8 -47.5 -49.3 10.8 21.1 15.2 101 101 A N H X S+ 0 0 11 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.848 114.1 53.4 -70.3 -42.2 13.5 18.5 14.5 102 102 A Q H X S+ 0 0 15 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.874 106.7 54.4 -60.6 -42.9 16.0 21.0 12.9 103 103 A V H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.922 106.6 50.8 -57.7 -49.1 15.7 23.2 16.1 104 104 A M H X S+ 0 0 44 -4,-1.6 4,-3.1 1,-0.2 -1,-0.2 0.877 109.4 51.2 -58.8 -38.3 16.6 20.2 18.3 105 105 A D H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.945 112.2 44.7 -62.2 -45.2 19.7 19.4 16.2 106 106 A N H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.838 113.9 51.7 -71.3 -22.6 21.0 23.0 16.3 107 107 A R H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 3,-0.4 0.963 108.8 50.4 -76.5 -47.2 20.2 22.9 20.1 108 108 A M H X S+ 0 0 68 -4,-3.1 4,-2.8 1,-0.3 -2,-0.2 0.837 107.9 53.8 -56.3 -41.9 22.2 19.7 20.4 109 109 A Q H X S+ 0 0 73 -4,-2.2 4,-1.5 2,-0.2 -1,-0.3 0.919 109.8 46.7 -64.6 -37.9 25.2 21.2 18.6 110 110 A L H X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.4 -2,-0.2 0.887 112.4 50.1 -68.7 -45.9 25.2 24.2 21.0 111 111 A I H X S+ 0 0 44 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.922 107.2 55.2 -54.5 -52.1 25.0 21.9 24.0 112 112 A M H < S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.7 40.8 -51.2 -43.3 27.9 19.7 22.7 113 113 A L H >< S+ 0 0 8 -4,-1.5 3,-1.1 1,-0.2 -1,-0.2 0.892 114.2 51.2 -73.1 -44.4 30.1 22.8 22.5 114 114 A C H 3< S+ 0 0 0 -4,-2.8 99,-3.9 1,-0.3 100,-0.4 0.673 112.1 46.0 -75.9 -16.6 29.0 24.4 25.8 115 115 A Y T 3< S+ 0 0 90 -4,-2.5 -1,-0.3 97,-0.2 -2,-0.2 0.389 88.5 108.6 -94.4 -6.2 29.5 21.2 27.9 116 116 A N X - 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