==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-05 2AAW . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR N.HILLER,K.FRITZ-WOLF,M.DEPONTE,W.WENDE,H.ZIMMERMANN, . 416 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 2 1 0 1 2 6 0 2 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 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 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 M 0 0 258 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.4 -26.8 72.3 58.2 2 2 A G - 0 0 57 63,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.230 360.0 -61.1-129.9-141.1 -23.7 70.8 56.5 3 3 A D - 0 0 110 -2,-0.1 2,-0.1 62,-0.0 0, 0.0 -0.951 46.3-107.3-122.8 140.3 -21.3 71.6 53.7 4 4 A N - 0 0 141 -2,-0.4 61,-2.8 60,-0.1 2,-0.5 -0.359 31.9-144.6 -62.9 137.8 -21.9 72.0 50.0 5 5 A I E +A 64 0A 22 59,-0.2 26,-2.9 24,-0.2 2,-0.4 -0.928 20.7 176.8-110.8 123.5 -20.6 69.1 47.9 6 6 A V E -Ab 63 31A 18 57,-2.8 57,-3.4 -2,-0.5 2,-0.5 -0.991 13.7-159.8-129.5 128.6 -19.1 69.8 44.5 7 7 A L E -Ab 62 32A 0 24,-2.5 26,-1.5 -2,-0.4 2,-0.5 -0.929 10.9-160.1-107.3 123.8 -17.6 67.2 42.1 8 8 A Y E +Ab 61 33A 25 53,-2.7 53,-1.3 -2,-0.5 2,-0.3 -0.898 31.7 118.5-108.3 132.1 -15.3 68.5 39.4 9 9 A Y E - b 0 34A 15 24,-1.1 26,-2.7 -2,-0.5 2,-0.1 -0.945 60.4 -73.9-168.4 179.9 -14.4 66.5 36.3 10 10 A F E - b 0 35A 57 -2,-0.3 2,-2.4 24,-0.2 26,-0.1 -0.366 62.3 -84.4 -83.0 169.5 -14.7 66.6 32.5 11 11 A D S S+ 0 0 51 24,-1.1 2,-0.3 23,-0.1 -1,-0.1 -0.488 100.5 82.4 -76.5 75.5 -17.9 65.9 30.7 12 12 A A S S- 0 0 2 -2,-2.4 194,-0.1 1,-0.2 4,-0.1 -0.968 81.3-117.4-164.9 169.9 -17.5 62.2 30.8 13 13 A R S >> S+ 0 0 13 193,-1.3 3,-2.0 -2,-0.3 4,-1.3 0.956 71.7 116.2 -81.1 -62.1 -18.0 59.2 33.0 14 14 A G T 34 S- 0 0 19 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.083 90.0 -10.4 35.7-125.8 -14.4 58.1 33.3 15 15 A K T 34 S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.376 134.9 56.1 -85.8 4.3 -12.9 58.2 36.8 16 16 A A T <> S+ 0 0 0 -3,-2.0 4,-2.1 2,-0.1 -1,-0.2 0.538 82.2 84.1-110.6 -11.6 -15.8 60.1 38.4 17 17 A E H X S+ 0 0 1 -4,-1.3 4,-3.0 -3,-0.5 5,-0.2 0.912 86.6 53.7 -60.9 -46.3 -18.6 57.8 37.5 18 18 A L H > S+ 0 0 15 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.907 110.4 49.3 -56.3 -40.3 -18.2 55.4 40.5 19 19 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 111.0 48.7 -64.3 -44.0 -18.3 58.5 42.8 20 20 A R H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.887 110.0 52.9 -62.3 -38.2 -21.5 59.7 41.1 21 21 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.871 108.3 50.3 -64.5 -37.1 -22.9 56.2 41.4 22 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.894 111.2 48.1 -68.4 -40.6 -22.2 56.3 45.1 23 23 A F H X>S+ 0 0 1 -4,-2.2 5,-2.3 2,-0.2 4,-1.3 0.901 113.4 48.2 -66.4 -39.7 -23.9 59.6 45.5 24 24 A A H ><5S+ 0 0 19 -4,-2.5 3,-0.7 2,-0.2 -2,-0.2 0.970 112.1 48.4 -63.9 -52.5 -26.9 58.4 43.6 25 25 A Y H 3<5S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 115.8 44.1 -55.3 -39.6 -27.1 55.2 45.6 26 26 A L H 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.670 107.3-126.4 -80.6 -17.6 -26.9 57.2 48.9 27 27 A G T <<5 + 0 0 47 -4,-1.3 2,-0.4 -3,-0.7 -3,-0.2 0.839 51.7 162.4 74.0 32.3 -29.3 59.8 47.7 28 28 A I < - 0 0 29 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.724 34.8-130.9 -89.9 132.6 -26.7 62.5 48.5 29 29 A E + 0 0 167 -2,-0.4 2,-0.3 2,-0.0 -24,-0.2 -0.595 41.2 142.8 -83.9 141.8 -27.2 66.0 47.0 30 30 A Y - 0 0 55 -2,-0.3 2,-0.7 -26,-0.1 -24,-0.2 -0.967 52.5 -97.6-170.0 158.8 -24.2 67.7 45.2 31 31 A T E -b 6 0A 83 -26,-2.9 -24,-2.5 -2,-0.3 2,-1.5 -0.776 28.6-149.8 -89.8 116.5 -23.3 69.9 42.3 32 32 A D E -b 7 0A 51 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.1 -0.645 18.8-165.3 -87.5 83.0 -22.0 67.8 39.4 33 33 A K E -b 8 0A 53 -2,-1.5 -24,-1.1 -26,-1.5 2,-0.5 -0.560 5.8-171.9 -73.5 127.6 -19.6 70.3 37.8 34 34 A R E >> -b 9 0A 26 -2,-0.3 3,-1.4 -26,-0.2 4,-0.5 -0.948 20.1-132.2-129.1 115.4 -18.6 69.3 34.3 35 35 A F E 34 S+b 10 0A 5 -26,-2.7 -24,-1.1 -2,-0.5 6,-0.2 -0.360 91.9 18.1 -62.0 134.5 -15.9 71.0 32.2 36 36 A G T 34 S+ 0 0 28 -26,-0.1 -1,-0.2 5,-0.1 -26,-0.1 0.093 93.9 98.9 94.4 -24.3 -17.0 71.8 28.7 37 37 A V T <4 S+ 0 0 74 -3,-1.4 -2,-0.1 3,-0.1 3,-0.1 0.921 106.7 7.8 -63.2 -43.3 -20.8 71.5 29.2 38 38 A N S < S+ 0 0 135 -4,-0.5 -3,-0.1 3,-0.0 3,-0.0 0.844 139.6 15.4-100.0 -70.0 -21.2 75.3 29.6 39 39 A G S S- 0 0 39 1,-0.1 2,-0.7 2,-0.1 3,-0.1 0.132 108.7 -60.3 -86.0-154.0 -17.8 76.9 28.7 40 40 A D >> - 0 0 99 1,-0.1 4,-2.6 -3,-0.1 3,-0.9 -0.860 42.0-138.4 -99.6 112.3 -14.9 75.3 26.9 41 41 A A H 3> S+ 0 0 28 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.777 102.8 52.0 -33.1 -47.0 -13.6 72.3 28.9 42 42 A F H 3> S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.953 114.9 40.4 -60.7 -50.7 -10.0 73.3 28.2 43 43 A V H <> S+ 0 0 75 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.905 115.1 51.2 -65.3 -44.6 -10.5 76.8 29.4 44 44 A E H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 110.3 50.5 -59.0 -44.7 -12.6 75.8 32.4 45 45 A F H X S+ 0 0 28 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.925 110.4 49.0 -59.5 -47.2 -10.0 73.3 33.4 46 46 A K H X S+ 0 0 61 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.926 113.7 45.6 -59.8 -46.4 -7.2 75.9 33.3 47 47 A N H >X S+ 0 0 83 -4,-2.6 4,-1.9 1,-0.2 3,-0.7 0.876 108.3 59.7 -64.0 -37.6 -9.2 78.4 35.3 48 48 A F H 3X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 3,-0.2 0.932 101.9 50.7 -56.3 -50.7 -10.1 75.6 37.7 49 49 A K H 3< S+ 0 0 61 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.694 111.6 49.0 -63.7 -19.3 -6.5 74.8 38.6 50 50 A K H << S+ 0 0 183 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.785 115.1 44.2 -87.6 -31.6 -5.9 78.5 39.3 51 51 A E H < S+ 0 0 134 -4,-1.9 2,-0.4 -3,-0.2 -2,-0.2 0.826 115.3 48.2 -81.2 -35.3 -9.0 78.8 41.5 52 52 A K S < S- 0 0 39 -4,-2.9 2,-1.3 -5,-0.2 -1,-0.1 -0.910 77.5-131.8-114.1 136.2 -8.5 75.6 43.5 53 53 A D - 0 0 92 -2,-0.4 -3,-0.1 -3,-0.0 -4,-0.1 -0.677 35.4-176.8 -84.0 94.1 -5.3 74.4 45.2 54 54 A T - 0 0 11 -2,-1.3 5,-0.1 -5,-0.3 7,-0.0 -0.740 28.5-136.4 -95.8 143.0 -5.1 70.8 43.9 55 55 A P S S+ 0 0 16 0, 0.0 290,-0.1 0, 0.0 -1,-0.1 0.834 100.4 12.5 -64.1 -35.9 -2.3 68.4 45.1 56 56 A F S S- 0 0 3 2,-0.2 3,-0.1 286,-0.0 285,-0.1 0.285 98.5-114.1-128.0 9.8 -1.5 66.9 41.7 57 57 A E S S+ 0 0 88 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.851 79.6 115.4 58.7 36.5 -3.3 69.2 39.2 58 58 A Q - 0 0 72 2,-0.1 -1,-0.2 -9,-0.0 -2,-0.2 -0.901 54.9-104.0-131.1 161.0 -5.7 66.4 38.2 59 59 A V S S+ 0 0 20 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.861 77.5 77.5-123.5 162.3 -9.4 65.7 38.4 60 60 A P + 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.408 61.1 172.4 -60.5 158.7 -11.7 64.3 39.8 61 61 A I E -AC 8 70A 0 -53,-1.3 -53,-2.7 -2,-0.2 2,-0.5 -0.984 19.5-153.8-142.4 127.7 -11.7 66.6 42.8 62 62 A L E -AC 7 69A 0 7,-2.9 7,-2.8 -2,-0.4 2,-0.6 -0.933 8.5-159.7-108.2 127.6 -14.4 66.4 45.4 63 63 A Q E +AC 6 68A 32 -57,-3.4 -57,-2.8 -2,-0.5 2,-0.6 -0.936 11.6 179.5-111.9 121.7 -15.1 69.5 47.3 64 64 A I E > -AC 5 67A 14 3,-1.9 3,-2.0 -2,-0.6 2,-0.4 -0.935 67.5 -56.9-120.0 103.9 -16.8 69.3 50.6 65 65 A G T 3 S- 0 0 22 -61,-2.8 -59,-0.1 -2,-0.6 -62,-0.0 -0.482 123.8 -18.2 62.3-118.7 -17.2 72.7 52.2 66 66 A D T 3 S+ 0 0 159 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.712 114.4 107.8 -90.4 -22.7 -13.7 74.0 52.3 67 67 A L E < -C 64 0A 49 -3,-2.0 -3,-1.9 1,-0.1 2,-0.6 -0.315 54.2-156.6 -62.4 133.2 -12.1 70.5 51.9 68 68 A I E -C 63 0A 35 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.958 11.6-169.8-112.2 117.1 -10.4 69.6 48.6 69 69 A L E -C 62 0A 0 -7,-2.8 -7,-2.9 -2,-0.6 2,-0.2 -0.942 5.1-176.4-113.8 128.2 -10.2 65.9 48.0 70 70 A A E +C 61 0A 5 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.734 44.1 54.8-118.7 166.5 -8.2 64.4 45.1 71 71 A Q >> - 0 0 20 -11,-0.7 4,-2.3 -2,-0.2 3,-0.9 0.916 67.8-129.5 73.5 99.0 -7.5 60.9 43.7 72 72 A S H 3> S+ 0 0 18 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.752 104.3 50.1 -45.2 -39.2 -10.7 59.0 42.7 73 73 A Q H 3> S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.868 110.8 48.0 -73.5 -37.0 -9.9 55.8 44.5 74 74 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.890 112.6 51.1 -68.7 -37.6 -9.0 57.5 47.8 75 75 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.950 109.1 49.9 -63.0 -50.1 -12.3 59.5 47.5 76 76 A V H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.895 113.4 46.3 -56.4 -42.7 -14.3 56.3 46.9 77 77 A R H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.877 112.7 49.8 -69.5 -36.5 -12.8 54.7 50.0 78 78 A Y H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 3,-0.2 0.947 112.9 45.7 -66.4 -47.6 -13.3 57.8 52.1 79 79 A L H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.880 110.0 55.4 -62.5 -38.4 -17.0 58.2 51.1 80 80 A S H <>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.3 6,-0.5 0.831 110.9 43.9 -66.7 -32.6 -17.5 54.4 51.6 81 81 A K H ><5S+ 0 0 39 -4,-1.5 3,-1.2 -3,-0.2 -2,-0.2 0.921 114.2 49.2 -75.4 -45.2 -16.3 54.6 55.2 82 82 A K H 3<5S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.757 120.7 37.0 -64.8 -25.5 -18.2 57.8 56.0 83 83 A Y T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.144 109.0-118.8-115.8 18.7 -21.4 56.3 54.6 84 84 A N T < 5S+ 0 0 137 -3,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.821 76.9 120.8 48.3 45.5 -20.9 52.7 55.8 85 85 A I < + 0 0 9 -5,-2.4 70,-2.1 -6,-0.1 71,-0.3 -0.159 52.8 98.6-121.7 34.4 -20.9 50.9 52.4 86 86 A C S S- 0 0 22 -6,-0.5 2,-0.1 68,-0.2 7,-0.1 -0.615 96.3 -71.8-109.7 171.4 -17.5 49.5 53.1 87 87 A G - 0 0 5 -2,-0.2 6,-0.2 1,-0.2 -1,-0.1 -0.503 45.4-146.9 -63.4 136.7 -16.7 46.1 54.4 88 88 A E S S+ 0 0 159 -2,-0.1 -1,-0.2 4,-0.1 2,-0.1 0.940 78.7 54.4 -74.8 -47.1 -17.8 46.2 58.0 89 89 A S S > S- 0 0 56 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.414 95.0-112.3 -80.8 163.4 -15.3 43.8 59.5 90 90 A E H > S+ 0 0 118 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.926 119.0 45.9 -61.0 -44.4 -11.5 44.5 59.0 91 91 A L H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 111.3 51.2 -66.9 -41.8 -11.2 41.4 56.8 92 92 A N H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 107.0 53.7 -64.7 -36.0 -14.4 42.2 54.8 93 93 A E H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.878 107.1 53.7 -65.2 -34.3 -13.1 45.7 54.1 94 94 A F H X S+ 0 0 4 -4,-1.5 4,-3.3 2,-0.2 -2,-0.2 0.930 107.6 49.1 -64.1 -44.5 -10.0 44.1 52.8 95 95 A Y H X S+ 0 0 72 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.892 111.2 49.2 -61.7 -39.9 -12.0 41.9 50.4 96 96 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.893 114.3 46.8 -64.9 -40.0 -14.0 44.9 49.1 97 97 A D H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.948 110.9 50.5 -66.0 -51.3 -10.7 46.7 48.6 98 98 A M H X S+ 0 0 9 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.886 111.5 48.6 -55.5 -42.4 -9.0 43.8 46.9 99 99 A I H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.888 109.3 53.5 -67.4 -37.6 -11.9 43.4 44.5 100 100 A F H X S+ 0 0 4 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.893 109.2 46.8 -65.7 -38.9 -11.8 47.1 43.7 101 101 A C H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.828 108.8 56.3 -73.2 -26.3 -8.2 47.1 42.8 102 102 A G H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.3 5,-0.2 0.905 104.9 52.5 -66.6 -40.1 -8.9 44.0 40.7 103 103 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.888 106.6 53.4 -61.5 -39.6 -11.5 46.1 38.9 104 104 A Q H X S+ 0 0 41 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.902 103.7 56.6 -62.9 -41.1 -8.8 48.8 38.3 105 105 A D H X S+ 0 0 46 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.941 116.4 34.1 -55.9 -50.5 -6.4 46.2 36.7 106 106 A I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.779 115.3 56.5 -78.9 -25.9 -8.9 45.2 34.1 107 107 A H H X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.896 103.0 57.1 -70.7 -37.3 -10.5 48.6 33.7 108 108 A Y H X S+ 0 0 102 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.886 106.8 48.8 -56.6 -42.6 -7.0 49.9 32.9 109 109 A K H X S+ 0 0 64 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.819 108.2 53.0 -69.8 -32.0 -6.8 47.4 30.0 110 110 A F H >X S+ 0 0 0 -4,-1.5 4,-3.6 1,-0.2 3,-0.8 0.919 105.6 55.4 -68.8 -41.0 -10.2 48.5 28.7 111 111 A N H 3X>S+ 0 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