==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-12 4HZ4 . COMPND 2 MOLECULE: GLUTATHIONE-S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOBACILLUS PLEUROPNEUMONIAE; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.9 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 42.8 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 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 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 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 3 A M 0 0 148 0, 0.0 58,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -37.6 15.4 10.4 47.6 2 4 A I E -A 58 0A 3 23,-0.3 25,-3.0 56,-0.2 2,-0.4 -0.919 360.0-180.0-110.5 131.2 14.3 13.2 45.3 3 5 A T E -Ab 57 27A 18 54,-2.3 54,-3.2 -2,-0.5 2,-0.5 -0.995 9.9-159.8-126.9 130.5 11.0 15.0 45.6 4 6 A L E -Ab 56 28A 0 23,-2.8 25,-2.8 -2,-0.4 2,-0.7 -0.949 7.7-152.2-109.3 125.1 9.9 17.9 43.2 5 7 A H E -Ab 55 29A 0 50,-3.2 50,-1.6 -2,-0.5 2,-0.5 -0.882 26.3-166.4 -94.8 115.8 7.2 20.3 44.3 6 8 A Y E - b 0 30A 0 23,-3.2 25,-2.9 -2,-0.7 2,-0.5 -0.887 16.9-155.5-118.3 124.0 5.7 21.4 41.0 7 9 A L E - b 0 31A 0 -2,-0.5 5,-0.4 23,-0.2 3,-0.4 -0.865 28.7-117.6 -96.5 130.6 3.4 24.3 40.2 8 10 A K S S+ 0 0 78 23,-2.5 3,-0.1 -2,-0.5 195,-0.1 -0.269 94.9 18.6 -61.0 152.2 1.3 24.0 37.1 9 11 A Q S S+ 0 0 28 193,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.925 110.2 99.9 53.8 53.8 1.9 26.6 34.4 10 12 A S S > S- 0 0 0 -3,-0.4 3,-1.6 203,-0.0 4,-0.3 -0.880 93.2 -77.8-153.0-178.3 5.3 27.6 35.7 11 13 A C T 3 S+ 0 0 17 -2,-0.3 4,-0.4 1,-0.3 3,-0.2 0.436 108.5 84.5 -70.5 2.9 9.0 27.4 35.6 12 14 A S T >> S+ 0 0 0 -5,-0.4 4,-1.4 1,-0.2 3,-0.9 0.780 74.9 71.2 -71.0 -27.9 8.7 24.0 37.3 13 15 A H H <> S+ 0 0 1 -3,-1.6 4,-2.4 1,-0.3 3,-0.2 0.886 89.6 56.5 -62.9 -40.7 8.1 22.3 34.0 14 16 A R H 3> S+ 0 0 28 -4,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.770 103.3 57.3 -62.0 -25.7 11.7 22.6 32.7 15 17 A I H <> S+ 0 0 0 -3,-0.9 4,-2.9 -4,-0.4 -1,-0.2 0.893 106.2 47.7 -72.8 -39.3 12.8 20.8 35.8 16 18 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.919 109.3 54.8 -64.7 -41.8 10.6 17.8 35.0 17 19 A W H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.958 111.7 44.2 -53.5 -49.8 12.0 17.9 31.4 18 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 111.0 52.8 -62.5 -46.4 15.6 17.7 32.9 19 21 A L H X>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 4,-0.5 0.917 112.9 45.2 -54.9 -44.1 14.7 15.0 35.4 20 22 A E H ><5S+ 0 0 32 -4,-2.7 3,-0.8 2,-0.2 -2,-0.2 0.899 110.7 53.3 -66.4 -39.6 13.2 12.9 32.5 21 23 A A H 3<5S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.868 110.8 47.6 -62.9 -34.7 16.3 13.7 30.3 22 24 A L H 3<5S- 0 0 29 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.560 109.3-127.4 -81.4 -12.3 18.6 12.4 33.1 23 25 A G T <<5 + 0 0 60 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.1 0.769 50.8 163.9 71.5 27.2 16.4 9.3 33.6 24 26 A L < - 0 0 34 -5,-2.0 2,-0.4 1,-0.0 -1,-0.2 -0.461 39.4-128.9 -83.6 147.9 16.0 9.9 37.3 25 27 A D + 0 0 148 -2,-0.1 2,-0.3 2,-0.0 -23,-0.3 -0.793 44.5 152.1 -85.7 136.2 13.5 8.4 39.7 26 28 A Y - 0 0 38 -2,-0.4 2,-0.4 -25,-0.1 -23,-0.2 -0.988 46.4-110.3-161.9 156.9 11.7 11.0 41.8 27 29 A E E -b 3 0A 103 -25,-3.0 -23,-2.8 -2,-0.3 2,-0.5 -0.805 31.9-153.5 -91.4 135.7 8.5 11.8 43.6 28 30 A L E -b 4 0A 43 -2,-0.4 2,-0.6 -25,-0.2 -23,-0.2 -0.948 10.5-171.7-117.2 119.7 6.4 14.4 41.9 29 31 A K E -b 5 0A 79 -25,-2.8 -23,-3.2 -2,-0.5 2,-0.4 -0.955 13.8-156.8-111.5 120.1 4.0 16.6 43.9 30 32 A I E -b 6 0A 69 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.831 9.5-172.6-106.9 131.6 1.7 18.7 41.7 31 33 A Y E -b 7 0A 31 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.3 -0.945 17.1-134.7-121.5 141.9 0.0 21.9 42.8 32 34 A D - 0 0 95 -2,-0.4 2,-0.1 -25,-0.2 3,-0.1 -0.700 27.7-111.7 -90.1 145.6 -2.6 24.1 41.0 33 35 A R - 0 0 37 -2,-0.3 7,-0.2 7,-0.1 6,-0.2 -0.455 40.5-100.2 -67.0 148.0 -2.2 27.9 40.9 34 36 A L > - 0 0 84 5,-3.1 4,-1.7 -2,-0.1 -1,-0.1 -0.401 46.7 -96.3 -68.9 147.2 -4.9 29.8 42.9 35 37 A E T 4 S+ 0 0 183 1,-0.2 2,-2.4 2,-0.2 4,-0.2 -0.279 95.5 1.1 -68.5 151.2 -7.7 31.2 40.8 36 38 A G T 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.1 175,-0.1 -0.405 133.9 47.1 77.4 -65.3 -7.7 34.8 39.6 37 39 A T T 4 S- 0 0 61 -2,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.789 92.5-139.7 -78.9 -29.8 -4.3 35.8 41.1 38 40 A G < + 0 0 2 -4,-1.7 -3,-0.1 1,-0.2 -2,-0.1 0.509 46.9 157.3 78.8 6.4 -2.4 32.7 39.9 39 41 A F - 0 0 88 -4,-0.2 -5,-3.1 -6,-0.2 -1,-0.2 -0.186 51.1 -97.3 -68.7 153.6 -0.6 32.6 43.2 40 42 A A - 0 0 2 175,-2.4 -7,-0.1 -7,-0.2 -1,-0.1 -0.465 47.2-111.3 -62.3 141.2 1.1 29.4 44.7 41 43 A P >> - 0 0 12 0, 0.0 4,-2.3 0, 0.0 3,-1.2 -0.351 27.1-106.2 -74.0 158.5 -1.3 27.8 47.2 42 44 A E H 3> S+ 0 0 156 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.805 117.4 61.2 -59.4 -32.2 -0.4 27.8 50.9 43 45 A E H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.827 110.7 40.2 -64.5 -32.0 0.6 24.1 50.8 44 46 A L H X4 S+ 0 0 0 -3,-1.2 3,-2.2 2,-0.2 4,-0.3 0.877 110.3 57.7 -81.4 -40.0 3.3 24.8 48.3 45 47 A K H >< S+ 0 0 73 -4,-2.3 3,-1.2 1,-0.3 6,-0.4 0.844 97.8 64.1 -59.9 -30.1 4.4 28.0 49.9 46 48 A A T 3< S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.595 86.5 73.9 -67.2 -11.0 5.0 26.0 53.1 47 49 A Q T < S+ 0 0 60 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.649 106.4 15.9 -81.5 -14.3 7.8 24.0 51.3 48 50 A H S X S- 0 0 41 -3,-1.2 3,-1.6 -4,-0.3 -1,-0.2 -0.988 75.4-112.9-160.4 145.8 10.4 26.8 51.3 49 51 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.726 116.7 52.3 -58.0 -24.3 11.1 30.2 52.9 50 52 A L T 3 S- 0 0 105 2,-0.1 3,-0.1 -3,-0.0 -4,-0.1 0.622 100.8-137.2 -88.0 -14.2 10.6 32.1 49.7 51 53 A G < + 0 0 7 -3,-1.6 2,-0.3 -6,-0.4 -11,-0.2 0.691 59.8 118.7 72.0 20.8 7.2 30.4 49.0 52 54 A K - 0 0 118 -7,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.829 55.4 -88.8-120.7 157.1 7.8 29.7 45.3 53 55 A A S S+ 0 0 6 -2,-0.3 -42,-0.2 -3,-0.1 13,-0.1 -0.775 86.1 57.6-102.5 155.6 8.0 26.7 43.1 54 56 A P + 0 0 3 0, 0.0 11,-0.5 0, 0.0 2,-0.4 0.468 61.4 172.2 -80.2 155.7 9.9 24.7 42.0 55 57 A V E -AC 5 64A 0 -50,-1.6 -50,-3.2 9,-0.2 2,-0.5 -0.998 12.3-163.1-126.7 128.5 11.2 23.2 45.2 56 58 A L E -AC 4 63A 1 7,-2.8 7,-3.1 -2,-0.4 2,-0.5 -0.947 3.5-161.8-113.1 123.7 13.5 20.2 45.1 57 59 A Q E +AC 3 62A 61 -54,-3.2 -54,-2.3 -2,-0.5 2,-0.4 -0.883 13.4 173.2 -98.3 134.2 14.2 18.0 48.1 58 60 A D E > -AC 2 61A 7 3,-2.4 3,-2.2 -2,-0.5 2,-0.2 -0.884 64.9 -52.7-140.5 104.9 17.2 15.8 47.8 59 61 A G T 3 S- 0 0 49 -58,-1.9 -56,-0.1 -2,-0.4 -1,-0.1 -0.481 123.8 -18.8 61.2-126.4 18.1 14.0 50.9 60 62 A D T 3 S+ 0 0 180 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.475 118.4 101.6 -89.9 -1.6 18.3 16.6 53.6 61 63 A L E < -C 58 0A 65 -3,-2.2 -3,-2.4 2,-0.0 2,-0.5 -0.629 51.3-167.3 -86.4 137.3 18.7 19.4 51.1 62 64 A V E -C 57 0A 62 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.929 17.6-176.9-124.3 105.3 15.7 21.7 50.2 63 65 A L E +C 56 0A 36 -7,-3.1 -7,-2.8 -2,-0.5 2,-0.3 -0.764 13.1 179.5-104.1 147.7 16.5 23.7 47.0 64 66 A A E +C 55 0A 14 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.750 43.2 76.0-125.2-179.1 14.6 26.4 45.2 65 67 A E > - 0 0 126 -11,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.771 69.3-122.8 80.8 114.7 15.6 28.4 42.0 66 68 A G H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 111.2 47.6 -49.5 -50.5 15.5 26.8 38.6 67 69 A N H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 112.7 49.6 -63.7 -37.2 19.1 27.5 37.8 68 70 A A H > S+ 0 0 42 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 112.2 47.1 -65.7 -45.4 20.2 26.1 41.2 69 71 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.923 112.2 51.0 -63.9 -42.8 18.2 23.0 40.8 70 72 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.956 113.5 43.8 -56.8 -50.1 19.5 22.5 37.2 71 73 A Q H X S+ 0 0 83 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.873 113.7 51.4 -68.7 -35.5 23.1 22.9 38.3 72 74 A H H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.947 111.2 47.4 -61.0 -51.6 22.6 20.7 41.4 73 75 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.5 0.900 114.7 45.9 -60.3 -42.7 21.0 17.9 39.3 74 76 A L H X S+ 0 0 5 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.894 111.4 53.2 -66.6 -39.3 23.8 18.0 36.7 75 77 A D H < S+ 0 0 136 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.924 122.5 26.9 -62.8 -44.2 26.5 18.1 39.4 76 78 A R H < S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.827 134.1 25.7 -88.0 -33.7 25.2 15.0 41.1 77 79 A Y H < S+ 0 0 55 -4,-2.6 2,-0.8 -5,-0.3 3,-0.2 0.506 99.6 75.7-117.9 -8.5 23.5 13.0 38.4 78 80 A D >< + 0 0 5 -4,-1.4 3,-1.8 -5,-0.5 -1,-0.2 -0.507 50.9 155.7-102.2 63.4 24.9 13.9 35.0 79 81 A T T 3 S+ 0 0 116 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.755 71.6 54.0 -63.6 -24.5 28.1 11.9 35.6 80 82 A E T 3 S- 0 0 148 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.539 106.7-128.8 -81.2 -7.4 28.6 11.5 31.8 81 83 A N < + 0 0 88 -3,-1.8 3,-0.5 -7,-0.2 -2,-0.1 0.903 53.2 155.1 53.3 43.5 28.4 15.2 31.4 82 84 A R S S+ 0 0 134 1,-0.2 71,-0.1 -8,-0.1 -1,-0.1 0.808 75.2 35.6 -60.1 -31.2 25.8 14.8 28.7 83 85 A F S S+ 0 0 5 -5,-0.1 72,-2.4 71,-0.1 73,-0.3 0.256 107.5 68.1-118.9 13.0 24.4 18.3 29.5 84 86 A T S S- 0 0 14 -3,-0.5 3,-0.1 70,-0.2 8,-0.1 -0.998 76.8-125.1-129.3 135.5 27.5 20.3 30.4 85 87 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.240 46.1 -76.9 -66.0 164.8 30.3 21.3 28.0 86 88 A A - 0 0 70 1,-0.1 6,-0.5 2,-0.1 3,-0.5 -0.381 60.0-103.9 -57.0 139.3 33.9 20.5 28.7 87 89 A H S S+ 0 0 111 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.203 98.3 28.9 -66.0 158.7 35.4 22.9 31.3 88 90 A K S S+ 0 0 202 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.853 96.5 113.3 58.3 40.1 37.8 25.7 30.4 89 91 A T S > S- 0 0 53 -3,-0.5 4,-2.2 1,-0.1 -1,-0.2 -0.923 81.4-114.2-130.4 160.6 36.3 26.2 27.0 90 92 A D H > S+ 0 0 135 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.869 118.4 59.0 -60.1 -35.2 34.3 29.0 25.4 91 93 A A H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 105.9 47.2 -60.5 -42.1 31.3 26.5 25.2 92 94 A Y H > S+ 0 0 52 -6,-0.5 4,-2.2 2,-0.2 5,-0.2 0.946 112.6 48.7 -65.3 -44.3 31.5 26.0 29.0 93 95 A S H X S+ 0 0 66 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.903 112.3 48.7 -62.5 -40.4 31.6 29.8 29.6 94 96 A N H X S+ 0 0 74 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.842 106.1 59.0 -67.8 -32.0 28.7 30.3 27.2 95 97 A Y H X S+ 0 0 5 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.965 109.8 40.7 -59.9 -51.2 26.8 27.6 29.0 96 98 A V H X S+ 0 0 51 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.856 113.3 58.1 -69.7 -29.0 26.9 29.4 32.3 97 99 A Y H X S+ 0 0 93 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.949 106.2 46.0 -59.1 -51.9 26.2 32.7 30.4 98 100 A W H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.838 108.1 57.3 -68.2 -28.9 22.9 31.4 28.9 99 101 A L H X S+ 0 0 4 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.956 110.7 44.2 -56.6 -49.3 21.9 30.1 32.4 100 102 A A H X S+ 0 0 55 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.909 111.4 53.2 -64.0 -41.7 22.4 33.7 33.6 101 103 A I H X S+ 0 0 16 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.904 101.9 59.9 -60.1 -40.8 20.6 35.1 30.6 102 104 A S H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.902 108.2 44.0 -54.5 -43.1 17.6 32.9 31.3 103 105 A A H X S+ 0 0 55 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.908 113.5 50.3 -71.0 -40.8 17.1 34.4 34.7 104 106 A S H X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.845 108.0 54.6 -63.7 -36.5 17.6 38.0 33.4 105 107 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.905 106.2 50.1 -66.5 -41.4 15.1 37.4 30.6 106 108 A F H X S+ 0 0 57 -4,-1.6 4,-2.7 -5,-0.2 -2,-0.2 0.944 110.5 50.3 -61.7 -45.6 12.4 36.3 33.1 107 109 A S H X S+ 0 0 68 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.924 110.6 50.0 -56.3 -45.8 13.1 39.4 35.1 108 110 A A H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.918 109.4 51.1 -59.6 -43.9 12.8 41.5 31.9 109 111 A N H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.977 114.2 45.3 -53.5 -58.1 9.4 39.8 31.0 110 112 A L H X S+ 0 0 45 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.899 112.5 49.7 -50.2 -51.8 8.1 40.5 34.5 111 113 A L H X S+ 0 0 84 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.848 109.7 47.5 -66.5 -39.3 9.3 44.2 34.6 112 114 A A H X S+ 0 0 10 -4,-2.1 4,-1.8 15,-0.3 -1,-0.2 0.911 111.8 52.6 -69.7 -40.5 7.9 45.4 31.3 113 115 A L H X S+ 0 0 13 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.894 111.9 44.8 -55.6 -48.5 4.6 43.7 32.1 114 116 A V H X S+ 0 0 59 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.871 109.8 55.2 -68.2 -39.3 4.4 45.5 35.5 115 117 A S H <>S+ 0 0 6 -4,-2.1 5,-0.7 -5,-0.2 6,-0.2 0.843 111.4 45.7 -64.1 -33.8 5.5 48.8 34.0 116 118 A K H <5S+ 0 0 67 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.960 110.7 52.2 -70.4 -54.5 2.6 48.5 31.5 117 119 A K H <5S+ 0 0 121 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.946 116.5 39.1 -44.6 -67.8 -0.0 47.5 34.2 118 120 A G T <5S- 0 0 38 -4,-2.2 2,-0.6 -5,-0.1 0, 0.0 -0.177 108.8 -99.8 -67.0 178.2 0.7 50.4 36.4 119 121 A D T 5 + 0 0 160 1,-0.1 -3,-0.1 4,-0.0 -2,-0.1 -0.927 56.4 149.7-114.1 118.0 1.4 53.6 34.5 120 122 A L > < - 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