==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUN-13 4L5O . COMPND 2 MOLECULE: PUTATIVE GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLONORCHIS SINENSIS; . AUTHOR Y.J.CHUNG,Y.H.HAN . 651 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 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 . 3 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 . 20 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 4 2 0 4 4 1 0 0 0 3 0 0 0 0 0 0 3 0 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 3 3 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 3 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 0 223 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.7 -7.5 22.0 20.7 2 2 A A - 0 0 22 1,-0.1 59,-0.1 58,-0.1 26,-0.1 -0.537 360.0 -89.2 -99.0 152.2 -11.0 20.5 19.8 3 3 A P - 0 0 21 0, 0.0 26,-2.6 0, 0.0 2,-0.4 -0.157 41.2-133.3 -59.5 151.8 -13.4 21.2 17.0 4 4 A V E -aB 29 59A 18 55,-2.8 55,-2.2 24,-0.2 2,-0.6 -0.898 13.6-163.7-112.8 136.2 -16.0 23.9 17.4 5 5 A L E -aB 30 58A 0 24,-2.6 26,-1.9 -2,-0.4 2,-0.5 -0.974 14.8-163.5-113.0 115.2 -19.7 23.8 16.7 6 6 A G E +aB 31 57A 0 51,-2.0 51,-1.6 -2,-0.6 2,-0.3 -0.876 26.9 132.5-101.8 129.6 -21.2 27.3 16.6 7 7 A Y E -a 32 0A 19 24,-1.6 26,-1.3 -2,-0.5 -2,-0.0 -0.979 58.9 -77.2-159.4 163.1 -24.9 27.8 16.8 8 8 A W E -a 33 0A 63 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.326 57.5-100.3 -52.9 152.4 -27.6 29.7 18.5 9 9 A K S S+ 0 0 114 24,-2.4 2,-0.3 23,-0.0 26,-0.1 -0.470 94.1 92.6 -82.1 66.5 -28.3 28.5 22.0 10 10 A I S S- 0 0 6 -2,-2.4 4,-0.2 1,-0.3 193,-0.2 -0.936 81.2-115.6-149.6 166.4 -31.3 26.6 20.8 11 11 A R S >> S+ 0 0 13 191,-2.5 3,-1.4 -2,-0.3 4,-1.0 0.937 74.7 106.7 -68.3 -88.6 -32.2 23.1 19.6 12 12 A G G >4 S- 0 0 8 191,-2.0 3,-0.5 1,-0.2 192,-0.1 -0.053 94.0 -9.8 57.5-141.8 -33.3 23.8 16.1 13 13 A L G 34 S+ 0 0 93 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.686 134.1 53.2 -69.4 -19.5 -31.0 22.8 13.2 14 14 A A G X> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.2 3,-0.6 0.713 81.9 84.5 -93.2 -19.1 -28.0 21.9 15.5 15 15 A Q H S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.870 109.2 53.0 -65.2 -29.6 -29.1 16.3 15.7 17 17 A I H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.908 110.3 45.9 -67.4 -40.5 -25.5 17.3 15.3 18 18 A R H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.947 111.9 51.4 -66.3 -47.4 -24.9 17.5 19.0 19 19 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.923 111.3 47.9 -56.5 -41.7 -26.7 14.2 19.5 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.936 111.9 49.1 -64.4 -43.9 -24.5 12.5 16.9 21 21 A L H X>S+ 0 0 3 -4,-2.4 5,-1.6 1,-0.2 4,-1.6 0.921 114.2 46.1 -59.8 -44.3 -21.3 13.9 18.4 22 22 A E H <5S+ 0 0 23 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.898 112.5 50.1 -68.1 -43.0 -22.3 12.8 21.8 23 23 A Y H <5S+ 0 0 55 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.927 116.0 40.5 -65.5 -45.1 -23.4 9.3 20.6 24 24 A V H <5S- 0 0 14 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.673 109.3-128.2 -75.6 -17.7 -20.1 8.7 18.7 25 25 A G T <5 + 0 0 5 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.701 48.9 158.1 85.8 20.4 -18.2 10.3 21.6 26 26 A H < - 0 0 33 -5,-1.6 -1,-0.3 -6,-0.2 2,-0.1 -0.596 44.5-114.2 -80.7 138.5 -16.1 12.8 19.5 27 27 A S + 0 0 69 487,-0.3 2,-0.3 -2,-0.3 -1,-0.1 -0.445 45.9 161.1 -70.3 137.8 -14.8 15.7 21.5 28 28 A Y - 0 0 33 -2,-0.1 2,-0.4 -26,-0.1 -24,-0.2 -0.993 31.7-139.7-151.4 162.3 -16.2 19.2 20.7 29 29 A E E -a 4 0A 89 -26,-2.6 -24,-2.6 -2,-0.3 2,-0.5 -0.885 20.2-141.3-112.8 139.0 -16.6 22.7 22.0 30 30 A E E -a 5 0A 46 -2,-0.4 2,-0.8 -26,-0.2 -24,-0.2 -0.943 5.4-159.3-100.0 134.9 -19.8 24.7 21.5 31 31 A H E -a 6 0A 80 -26,-1.9 -24,-1.6 -2,-0.5 2,-0.3 -0.921 25.3-161.9-101.9 100.4 -19.6 28.4 20.8 32 32 A S E -a 7 0A 53 -2,-0.8 2,-0.5 -26,-0.2 -24,-0.2 -0.629 16.9-157.8 -87.8 147.0 -23.1 29.5 21.8 33 33 A Y E -a 8 0A 6 -26,-1.3 -24,-2.4 -2,-0.3 5,-0.0 -0.994 21.4-151.4-121.8 111.3 -24.8 32.6 20.8 34 34 A G > - 0 0 13 -2,-0.5 3,-2.1 -26,-0.2 4,-0.1 -0.118 36.2 -82.4 -77.9-179.9 -27.6 33.4 23.2 35 35 A R T 3 S+ 0 0 127 1,-0.3 3,-0.2 -26,-0.1 -1,-0.1 0.689 131.0 42.0 -57.0 -28.1 -30.8 35.3 22.6 36 36 A C T 3 S+ 0 0 123 1,-0.1 3,-0.3 2,-0.1 -1,-0.3 0.211 92.2 88.5-103.4 12.5 -29.0 38.7 23.0 37 37 A D X> + 0 0 50 -3,-2.1 4,-2.1 1,-0.2 3,-0.8 0.225 43.5 119.9-100.4 18.0 -25.9 37.8 21.1 38 38 A G H 3> S+ 0 0 26 1,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.829 79.9 46.1 -42.5 -42.0 -27.1 38.8 17.6 39 39 A E H 3> S+ 0 0 140 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.793 104.6 59.3 -81.3 -28.2 -24.2 41.3 17.3 40 40 A K H <> S+ 0 0 121 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.941 109.2 45.9 -63.4 -44.6 -21.6 39.0 18.5 41 41 A W H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.937 108.5 55.7 -62.4 -48.1 -22.5 36.7 15.6 42 42 A Q H X S+ 0 0 107 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.886 109.6 47.8 -50.6 -39.0 -22.5 39.6 13.2 43 43 A N H < S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 117.4 40.5 -72.5 -33.3 -18.9 40.3 14.3 44 44 A D H >< S+ 0 0 51 -4,-1.5 3,-2.1 -3,-0.4 4,-0.2 0.733 95.6 85.1 -83.9 -25.3 -17.8 36.8 14.0 45 45 A K H >< S+ 0 0 51 -4,-2.7 3,-0.6 1,-0.3 5,-0.3 0.847 99.2 29.5 -51.3 -52.3 -19.6 36.0 10.8 46 46 A H T 3< S+ 0 0 128 -4,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.294 118.5 64.9 -94.0 19.4 -17.2 37.3 8.2 47 47 A N T < S+ 0 0 127 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.191 74.9 77.2-130.8 12.0 -14.3 36.5 10.5 48 48 A L S < S- 0 0 34 -3,-0.6 -1,-0.1 -4,-0.2 -2,-0.1 0.330 102.3-105.1-112.7 5.5 -14.0 32.8 11.1 49 49 A G + 0 0 64 1,-0.3 2,-0.2 -3,-0.1 15,-0.1 0.533 67.5 155.9 81.6 7.2 -12.4 31.7 7.9 50 50 A L - 0 0 19 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.445 38.8-154.0 -74.0 137.8 -15.8 30.3 6.7 51 51 A E S S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 303,-0.1 0.795 95.7 23.8 -82.2 -29.4 -16.3 29.9 2.9 52 52 A L S S- 0 0 3 2,-0.1 -1,-0.3 302,-0.0 15,-0.1 -0.679 95.2-140.8-135.9 79.0 -20.1 30.1 3.1 53 53 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.062 45.9 115.4 -50.3 123.6 -20.8 32.0 6.4 54 54 A N - 0 0 62 -9,-0.1 -2,-0.1 13,-0.0 -4,-0.0 -0.983 56.6 -61.1-170.8 174.4 -23.7 30.7 8.3 55 55 A L S S+ 0 0 16 -2,-0.3 13,-0.1 1,-0.1 2,-0.1 -0.988 105.5 38.7-120.1 130.2 -25.0 29.1 11.4 56 56 A P S S+ 0 0 2 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.437 79.8 172.3 -77.4 157.2 -24.3 26.4 12.3 57 57 A Y E -BC 6 66A 2 -51,-1.6 -51,-2.0 9,-0.2 2,-0.3 -0.816 17.8-155.1-119.7 172.1 -20.7 26.3 11.5 58 58 A Y E -BC 5 65A 13 7,-2.1 7,-2.0 -2,-0.3 2,-0.4 -0.983 9.3-174.4-150.1 123.2 -18.0 23.8 12.4 59 59 A K E +BC 4 64A 52 -55,-2.2 -55,-2.8 -2,-0.3 2,-0.3 -0.987 12.7 169.9-130.5 129.3 -14.3 24.4 12.6 60 60 A D E > - C 0 63A 66 3,-3.3 3,-1.7 -2,-0.4 2,-0.5 -0.734 67.7 -68.4-137.2 84.0 -11.5 21.9 13.2 61 61 A G T 3 S- 0 0 67 1,-0.3 -1,-0.0 -2,-0.3 -59,-0.0 -0.622 120.1 -5.8 76.8-123.7 -8.2 23.6 12.7 62 62 A N T 3 S+ 0 0 179 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.574 122.8 84.9 -66.1 -29.0 -7.8 24.5 9.0 63 63 A F E < +C 60 0A 25 -3,-1.7 -3,-3.3 2,-0.0 2,-0.3 -0.720 53.8 166.0 -90.9 133.4 -11.0 22.7 8.1 64 64 A S E -C 59 0A 7 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.973 8.9-177.2-143.1 155.5 -14.4 24.5 8.4 65 65 A L E -C 58 0A 1 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.3 -0.978 9.6-165.7-146.2 152.1 -18.0 23.8 7.2 66 66 A T E +C 57 0A 0 -2,-0.3 -9,-0.2 -9,-0.2 249,-0.1 -0.772 52.3 77.4-124.7 179.6 -21.4 25.4 7.2 67 67 A Q S > S- 0 0 26 -11,-0.7 4,-2.1 -2,-0.3 3,-0.5 0.799 70.7-125.6 76.8 113.8 -24.8 23.8 6.4 68 68 A S H > S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.794 108.6 49.8 -56.4 -36.1 -26.2 21.6 9.1 69 69 A L H > S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.876 109.7 51.7 -76.2 -32.7 -26.6 18.5 6.9 70 70 A A H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.892 111.5 47.2 -67.2 -40.1 -23.0 18.8 5.6 71 71 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.921 114.6 46.2 -64.4 -47.2 -21.7 18.9 9.2 72 72 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.932 113.9 48.3 -63.0 -44.7 -23.8 16.1 10.2 73 73 A R H X S+ 0 0 7 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.841 107.5 57.7 -70.0 -28.3 -22.8 14.1 7.0 74 74 A Y H X S+ 0 0 18 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.956 111.7 39.1 -63.3 -45.5 -19.2 14.9 7.7 75 75 A I H X S+ 0 0 7 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.897 117.1 51.8 -70.2 -38.5 -19.3 13.3 11.1 76 76 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.4 0.934 105.2 54.9 -61.9 -48.7 -21.4 10.5 9.8 77 77 A D H ><5S+ 0 0 19 -4,-2.8 3,-2.5 1,-0.3 -1,-0.2 0.901 100.7 59.8 -53.1 -45.8 -19.0 9.8 7.0 78 78 A K H 3<5S+ 0 0 72 -4,-1.7 385,-0.3 1,-0.3 -1,-0.3 0.779 110.4 42.6 -55.0 -31.0 -16.2 9.4 9.5 79 79 A H T <<5S- 0 0 15 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.158 119.5-111.4-102.3 20.8 -18.3 6.5 11.1 80 80 A N T < 5S+ 0 0 85 -3,-2.5 3,-0.3 1,-0.1 -3,-0.2 0.857 75.6 134.8 54.7 42.5 -19.2 5.1 7.6 81 81 A M < + 0 0 21 -5,-2.0 -4,-0.2 -8,-0.2 70,-0.2 0.234 51.1 72.1-101.8 8.2 -22.9 6.1 8.1 82 82 A I S S- 0 0 5 1,-0.3 11,-0.2 -6,-0.2 -1,-0.2 0.347 102.8 -97.2-110.9 11.3 -23.5 7.6 4.5 83 83 A G - 0 0 6 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.052 14.3-127.9 95.5 158.9 -23.5 4.5 2.3 84 84 A N S S+ 0 0 99 -3,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.361 83.9 50.0-127.1 -1.0 -21.0 2.6 0.1 85 85 A T S > S- 0 0 66 1,-0.1 4,-3.0 0, 0.0 5,-0.3 -0.922 86.6-110.0-133.4 159.2 -22.7 2.2 -3.3 86 86 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.894 120.0 49.9 -58.5 -33.4 -24.5 4.8 -5.4 87 87 A V H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.954 113.9 42.5 -69.1 -50.4 -27.7 3.2 -4.7 88 88 A E H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 113.1 52.8 -65.1 -42.8 -27.3 3.1 -0.9 89 89 A R H X S+ 0 0 45 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.884 111.5 47.5 -59.5 -39.5 -25.8 6.6 -0.8 90 90 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.919 107.5 54.0 -66.3 -45.6 -28.8 7.9 -2.7 91 91 A K H X S+ 0 0 61 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 110.2 48.7 -55.2 -45.9 -31.2 6.1 -0.4 92 92 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.917 109.5 51.3 -59.7 -47.6 -29.6 7.8 2.6 93 93 A S H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.822 109.6 51.8 -60.5 -32.5 -29.7 11.2 1.0 94 94 A M H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 109.1 49.5 -69.1 -46.0 -33.5 10.6 0.3 95 95 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.933 111.4 48.8 -56.0 -48.8 -34.0 9.7 3.9 96 96 A E H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.884 109.8 52.3 -55.9 -45.5 -32.2 12.9 5.0 97 97 A G H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.914 110.4 47.2 -60.5 -44.1 -34.2 15.0 2.7 98 98 A G H X S+ 0 0 6 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.905 112.6 50.1 -66.8 -40.8 -37.5 13.6 4.0 99 99 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.886 107.1 54.5 -64.1 -37.3 -36.2 14.1 7.6 100 100 A V H X S+ 0 0 62 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.958 111.6 45.3 -60.1 -47.3 -35.3 17.7 6.7 101 101 A D H X S+ 0 0 68 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.900 107.9 57.3 -58.1 -44.0 -38.9 18.2 5.5 102 102 A L H X S+ 0 0 9 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.952 114.8 37.8 -56.6 -50.1 -40.3 16.5 8.6 103 103 A R H >X S+ 0 0 29 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.891 112.8 56.1 -62.1 -46.9 -38.6 19.0 10.8 104 104 A A H 3X S+ 0 0 30 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.689 92.9 71.4 -66.6 -18.5 -39.1 22.0 8.6 105 105 A G H 3X S+ 0 0 14 -4,-1.5 4,-0.9 -3,-0.4 -1,-0.2 0.946 102.2 43.4 -61.2 -49.6 -42.9 21.4 8.6 106 106 A V H XX S+ 0 0 0 -4,-0.7 4,-1.2 -3,-0.6 3,-0.9 0.945 113.2 52.3 -55.6 -51.2 -43.0 22.5 12.2 107 107 A S H 3X S+ 0 0 37 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.781 99.6 64.2 -59.3 -29.0 -40.7 25.4 11.4 108 108 A R H 3< S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.1 28.0 -69.4 -33.4 -42.8 26.6 8.5 109 109 A I H X< S+ 0 0 21 -4,-0.9 3,-0.5 -3,-0.9 -1,-0.2 0.501 103.2 80.3-101.2 -5.1 -45.8 27.5 10.8 110 110 A A H 3< S+ 0 0 0 -4,-1.2 99,-1.9 1,-0.2 100,-1.3 0.685 85.5 56.6 -82.2 -16.7 -44.0 28.3 14.1 111 111 A Y T 3< S+ 0 0 96 -4,-0.5 2,-0.3 97,-0.2 -1,-0.2 0.562 92.1 78.1 -97.3 -7.5 -42.9 31.9 13.4 112 112 A Q S X S- 0 0 86 -3,-0.5 3,-1.5 1,-0.1 97,-0.1 -0.757 79.8-121.3-106.7 156.4 -46.2 33.5 12.6 113 113 A E 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