==== 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 TRANSFERASE 17-MAR-06 2GE3 . COMPND 2 MOLECULE: PROBABLE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR C.CHANG,X.XU,J.GU,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST . 655 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 8 1.2 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 . 30 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 0 0 0 1 3 0 3 4 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 4 0 4 10 2 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 0 0 0 0 0 0 0 0 0 0 2 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 6 A D 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.2 39.7 28.1 -5.6 2 7 A T - 0 0 121 1,-0.1 2,-0.5 58,-0.0 59,-0.4 -0.128 360.0-164.5 -65.4 128.9 39.0 31.9 -5.9 3 8 A V - 0 0 16 57,-0.1 2,-0.4 58,-0.1 57,-0.2 -0.938 10.2-163.5 -99.4 132.7 37.8 34.2 -3.2 4 9 A T E -A 59 0A 62 55,-2.1 55,-3.5 -2,-0.5 2,-0.5 -0.966 6.4-152.4-115.5 138.3 36.5 37.6 -4.2 5 10 A I E +A 58 0A 12 -2,-0.4 53,-0.2 53,-0.2 62,-0.0 -0.918 28.6 153.5-106.1 129.8 36.1 40.6 -1.9 6 11 A K E -A 57 0A 50 51,-1.9 51,-2.9 -2,-0.5 3,-0.1 -0.974 50.3 -81.2-150.1 159.9 33.4 43.1 -2.8 7 12 A P E -A 56 0A 73 0, 0.0 49,-0.2 0, 0.0 2,-0.2 -0.275 60.9 -99.2 -57.9 145.4 31.1 45.7 -1.1 8 13 A I - 0 0 10 47,-2.5 2,-0.3 37,-0.0 47,-0.1 -0.517 41.8-164.3 -70.5 142.1 28.1 44.0 0.4 9 14 A R > - 0 0 120 -2,-0.2 3,-2.0 -3,-0.1 4,-0.4 -0.857 36.6 -98.3-120.1 163.0 24.8 44.1 -1.7 10 15 A A G > S+ 0 0 54 -2,-0.3 3,-1.0 1,-0.3 4,-0.3 0.777 120.3 60.5 -44.0 -39.8 21.1 43.4 -0.7 11 16 A E G 3 S+ 0 0 120 1,-0.2 4,-0.4 2,-0.1 3,-0.4 0.767 96.0 61.5 -64.7 -26.5 21.4 39.9 -2.2 12 17 A H G <> S+ 0 0 15 -3,-2.0 4,-3.0 1,-0.2 5,-0.3 0.623 76.4 96.4 -74.7 -14.8 24.2 38.9 0.3 13 18 A V H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.4 -1,-0.2 0.838 85.8 40.9 -49.1 -52.4 22.0 39.4 3.4 14 19 A E H > S+ 0 0 67 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.926 117.9 45.8 -62.0 -54.0 20.9 35.8 3.9 15 20 A S H > S+ 0 0 14 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.898 114.5 51.4 -50.5 -45.2 24.4 34.2 3.1 16 21 A F H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.891 106.1 53.2 -59.6 -41.1 25.9 36.9 5.4 17 22 A H H X S+ 0 0 34 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.871 108.9 49.5 -68.4 -38.6 23.5 36.1 8.3 18 23 A R H X S+ 0 0 142 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.846 111.7 48.8 -61.1 -42.2 24.5 32.4 8.0 19 24 A A H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.927 114.3 45.8 -59.8 -47.9 28.3 33.3 8.1 20 25 A L H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.895 114.1 48.5 -67.3 -40.0 27.7 35.6 11.1 21 26 A D H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.928 111.1 49.8 -68.3 -43.9 25.6 32.9 12.8 22 27 A A H < S+ 0 0 40 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.940 116.1 41.4 -57.5 -52.7 28.2 30.1 12.2 23 28 A V H >< S+ 0 0 4 -4,-2.4 3,-0.8 1,-0.2 5,-0.5 0.884 114.8 50.6 -66.2 -38.8 31.1 32.2 13.6 24 29 A S H >< S+ 0 0 1 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.2 0.915 104.3 59.8 -64.7 -40.2 29.1 33.6 16.6 25 30 A R T 3< S+ 0 0 159 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.548 87.2 72.2 -71.9 -8.8 27.9 30.1 17.6 26 31 A E T < S- 0 0 59 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.692 91.7-151.4 -71.5 -23.2 31.5 29.0 18.1 27 32 A R < + 0 0 109 -3,-2.3 -2,-0.1 -4,-0.3 -3,-0.1 0.734 67.1 91.0 57.0 31.8 31.3 31.2 21.2 28 33 A K S S+ 0 0 118 -5,-0.5 -1,-0.1 -4,-0.1 -4,-0.1 0.662 89.3 22.8-121.5 -24.3 35.1 32.0 21.2 29 34 A Y S S+ 0 0 50 -6,-0.4 93,-0.3 3,-0.1 2,-0.1 0.816 101.6 66.5-115.8 -44.4 35.8 35.1 19.2 30 35 A L - 0 0 25 -7,-0.4 91,-0.0 2,-0.2 57,-0.0 -0.451 69.7-127.9 -88.3 162.7 32.8 37.4 18.8 31 36 A S S S+ 0 0 39 -2,-0.1 210,-0.7 2,-0.0 2,-0.4 0.525 95.2 64.7 -86.6 -8.9 30.9 39.5 21.3 32 37 A F S S- 0 0 46 208,-0.1 -2,-0.2 209,-0.1 -5,-0.2 -0.901 70.2-153.5-108.6 148.4 27.5 38.1 20.3 33 38 A L S S+ 0 0 36 -2,-0.4 2,-0.3 1,-0.2 -6,-0.1 0.490 80.6 18.8 -99.5 -2.3 26.9 34.4 20.9 34 39 A E S S- 0 0 133 -10,-0.1 -1,-0.2 -9,-0.1 -13,-0.1 -0.976 91.0 -94.5-161.6 149.6 24.4 34.1 18.1 35 40 A A - 0 0 7 -2,-0.3 3,-0.1 -18,-0.1 -2,-0.1 -0.304 45.0-104.2 -67.6 155.0 23.5 36.2 15.0 36 41 A P - 0 0 51 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.370 58.8 -72.9 -66.0 157.6 20.7 38.8 15.3 37 42 A P >> - 0 0 97 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.223 49.9-108.2 -55.5 149.8 17.4 37.6 13.6 38 43 A L H 3> S+ 0 0 39 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.836 118.8 48.1 -45.1 -45.1 17.5 37.7 9.8 39 44 A E H 3> S+ 0 0 124 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.806 109.7 53.8 -76.9 -24.3 15.3 40.7 9.4 40 45 A A H <> S+ 0 0 46 -3,-1.0 4,-1.7 2,-0.2 -1,-0.3 0.876 110.3 47.5 -65.8 -41.8 17.3 42.6 12.0 41 46 A V H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.939 109.8 52.9 -68.5 -41.5 20.4 41.8 10.0 42 47 A R H X S+ 0 0 63 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.869 107.7 50.9 -57.1 -44.1 18.7 42.9 6.7 43 48 A A H X S+ 0 0 63 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.930 112.5 46.6 -56.3 -48.2 17.7 46.3 8.3 44 49 A F H X S+ 0 0 60 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.913 114.6 46.2 -66.8 -42.5 21.3 46.8 9.4 45 50 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.919 112.0 50.4 -67.9 -41.7 22.7 45.8 6.0 46 51 A L H X S+ 0 0 63 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.928 112.4 49.0 -56.3 -46.2 20.2 48.0 4.0 47 52 A D H X S+ 0 0 88 -4,-2.4 4,-2.6 2,-0.2 6,-0.2 0.870 109.2 50.9 -61.1 -46.3 21.1 51.0 6.3 48 53 A X H <>S+ 0 0 4 -4,-2.1 5,-1.9 2,-0.2 -1,-0.2 0.937 112.7 45.8 -57.6 -49.8 24.9 50.5 5.9 49 54 A I H ><5S+ 0 0 54 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.927 114.2 49.1 -57.6 -44.4 24.6 50.4 2.1 50 55 A E H 3<5S+ 0 0 137 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.905 115.6 41.9 -69.7 -40.5 22.3 53.5 2.1 51 56 A N T 3<5S- 0 0 77 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.154 112.2-118.8 -93.0 13.1 24.5 55.6 4.3 52 57 A D T < 5 + 0 0 118 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.602 52.6 163.5 65.2 21.9 27.6 54.4 2.5 53 58 A H < - 0 0 37 -5,-1.9 -1,-0.2 -6,-0.2 18,-0.1 -0.564 48.4 -98.4 -79.0 130.5 29.4 52.7 5.6 54 59 A P + 0 0 10 0, 0.0 16,-2.8 0, 0.0 2,-0.3 -0.235 56.4 156.1 -61.4 123.3 32.3 50.3 4.6 55 60 A Q E - B 0 69A 6 14,-0.2 -47,-2.5 -47,-0.1 2,-0.3 -0.850 14.3-178.0-153.1 115.0 31.1 46.7 4.6 56 61 A F E -AB 7 68A 14 12,-2.9 12,-2.0 -2,-0.3 2,-0.3 -0.886 9.4-158.0-122.7 147.5 32.8 44.0 2.6 57 62 A V E -AB 6 67A 0 -51,-2.9 -51,-1.9 -2,-0.3 2,-0.6 -0.906 14.3-137.6-120.9 145.9 32.1 40.3 2.0 58 63 A A E -AB 5 66A 0 8,-3.0 7,-3.3 -2,-0.3 8,-1.0 -0.956 25.9-158.9-101.4 129.6 34.4 37.5 0.9 59 64 A I E +AB 4 64A 20 -55,-3.5 -55,-2.1 -2,-0.6 2,-0.4 -0.877 17.2 174.0-114.7 124.4 32.6 35.3 -1.6 60 65 A A E > S- B 0 63A 3 3,-2.7 3,-2.0 -2,-0.5 -57,-0.1 -0.978 76.6 -16.0-133.2 122.4 33.5 31.7 -2.5 61 66 A D T 3 S- 0 0 142 -59,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.942 128.0 -54.5 50.4 52.8 31.3 29.7 -4.9 62 67 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.203 117.0 111.5 70.9 -18.5 28.5 32.2 -4.4 63 68 A D E < S-B 60 0A 86 -3,-2.0 -3,-2.7 -48,-0.0 2,-0.6 -0.623 73.3-118.3 -88.3 149.7 28.5 31.9 -0.6 64 69 A V E +B 59 0A 5 -5,-0.2 -5,-0.2 -2,-0.2 3,-0.1 -0.772 37.8 169.4 -75.3 115.3 29.6 34.6 1.9 65 70 A I E + 0 0 5 -7,-3.3 24,-2.6 -2,-0.6 2,-0.3 0.411 62.9 4.7-109.8 3.0 32.6 33.0 3.7 66 71 A G E -BC 58 88A 0 -8,-1.0 -8,-3.0 22,-0.2 -1,-0.3 -0.968 59.1-168.1-177.7 160.0 33.8 36.1 5.5 67 72 A W E -BC 57 87A 8 20,-1.9 20,-1.6 -2,-0.3 2,-0.3 -0.970 6.6-166.7-155.7 158.7 33.0 39.8 6.1 68 73 A C E +BC 56 86A 0 -12,-2.0 -12,-2.9 -2,-0.3 2,-0.3 -0.940 19.3 175.8-148.5 135.2 34.6 42.9 7.5 69 74 A D E -BC 55 85A 4 16,-2.8 16,-1.9 -2,-0.3 2,-0.5 -0.965 23.9-148.1-146.7 155.4 32.7 46.0 8.4 70 75 A I E - C 0 84A 0 -16,-2.8 2,-0.7 -2,-0.3 14,-0.2 -0.976 12.7-157.8-124.3 114.5 33.0 49.5 9.9 71 76 A R E - C 0 83A 97 12,-2.6 12,-2.4 -2,-0.5 2,-0.2 -0.880 19.1-131.4 -92.0 115.9 30.2 51.1 11.9 72 77 A R E - C 0 82A 103 -2,-0.7 10,-0.2 10,-0.3 7,-0.1 -0.448 25.9-112.5 -56.1 127.5 30.3 54.9 12.1 73 78 A Q - 0 0 56 8,-2.8 -1,-0.1 5,-0.5 8,-0.1 -0.343 23.0-142.6 -60.7 145.2 29.8 56.3 15.7 74 79 A D + 0 0 157 -2,-0.0 5,-0.1 3,-0.0 -1,-0.1 0.941 68.7 88.0 -83.6 -49.1 26.5 58.2 16.0 75 80 A R S >> S- 0 0 103 1,-0.1 3,-1.9 3,-0.1 4,-1.0 -0.142 80.3-123.4 -61.9 147.5 27.2 61.1 18.3 76 81 A A T 34 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.826 110.4 53.0 -59.9 -36.0 28.5 64.3 16.6 77 82 A T T 34 S+ 0 0 2 118,-0.6 235,-2.3 1,-0.2 -1,-0.3 0.550 118.1 36.5 -73.6 -7.7 31.7 64.4 18.8 78 83 A R T X4 S+ 0 0 35 -3,-1.9 3,-2.2 233,-0.2 -5,-0.5 0.306 82.8 107.5-126.3 -1.4 32.6 60.8 17.8 79 84 A A T 3< S+ 0 0 17 -4,-1.0 -2,-0.1 -3,-0.4 -3,-0.1 0.593 70.0 65.6 -61.5 -15.6 31.4 60.7 14.2 80 85 A H T 3 S+ 0 0 23 -4,-0.2 35,-2.6 230,-0.1 36,-2.1 0.404 96.0 84.3 -77.9 2.4 35.0 60.8 12.8 81 86 A C E < - d 0 116A 0 -3,-2.2 -8,-2.8 34,-0.2 2,-0.3 -0.811 56.9-172.7-111.7 139.7 35.3 57.2 14.4 82 87 A G E -Cd 72 117A 0 34,-2.5 36,-2.6 -2,-0.3 2,-0.5 -0.956 18.2-135.9-126.8 149.9 34.2 53.8 13.2 83 88 A T E -Cd 71 118A 35 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.3 -0.933 21.9-144.0-104.8 125.4 34.1 50.4 15.0 84 89 A L E +C 70 0A 11 34,-2.5 36,-0.3 -2,-0.5 2,-0.3 -0.690 22.1 170.8 -89.0 134.9 35.5 47.4 13.1 85 90 A G E +C 69 0A 23 -16,-1.9 -16,-2.8 -2,-0.3 2,-0.3 -0.977 7.5 162.1-133.2 156.0 34.1 43.7 13.2 86 91 A X E +C 68 0A 21 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.977 11.0 179.3-165.9 160.3 35.0 40.8 11.0 87 92 A G E -C 67 0A 9 -20,-1.6 -20,-1.9 -2,-0.3 2,-0.4 -0.978 9.1-158.8-165.2 153.4 34.8 37.0 10.8 88 93 A I E -C 66 0A 19 -2,-0.3 -22,-0.2 -22,-0.2 5,-0.1 -0.997 33.3-103.5-143.3 138.9 35.8 34.2 8.5 89 94 A L > - 0 0 41 -24,-2.6 3,-2.1 -2,-0.4 4,-0.4 -0.279 41.5-110.3 -57.3 141.6 34.5 30.6 8.2 90 95 A P G > S+ 0 0 73 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.823 114.6 57.6 -49.9 -42.6 37.0 28.1 9.8 91 96 A A G 3 S+ 0 0 73 1,-0.2 -2,-0.1 3,-0.0 -26,-0.0 0.679 108.2 48.6 -62.5 -18.4 38.0 26.5 6.5 92 97 A Y G X S+ 0 0 71 -3,-2.1 3,-0.5 -27,-0.2 5,-0.4 0.429 88.1 110.1-107.4 3.8 39.1 29.9 5.1 93 98 A R T < + 0 0 29 -3,-1.3 -4,-0.0 -4,-0.4 0, 0.0 -0.320 68.2 26.2 -73.7 164.1 41.2 31.2 8.0 94 99 A N T 3 S+ 0 0 147 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.707 90.9 102.5 61.5 28.0 45.0 31.7 8.2 95 100 A K S < S- 0 0 143 -3,-0.5 -1,-0.1 0, 0.0 -2,-0.1 0.167 101.2 -93.9-126.4 17.4 45.3 32.1 4.5 96 101 A G S > S+ 0 0 37 3,-0.0 4,-1.8 1,-0.0 5,-0.1 0.453 93.8 116.4 91.0 -2.5 45.7 35.9 4.2 97 102 A L H > S+ 0 0 6 -5,-0.4 4,-2.9 2,-0.2 5,-0.2 0.875 72.0 52.0 -70.4 -37.4 42.1 36.5 3.5 98 103 A G H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 108.1 53.7 -63.0 -41.4 41.5 38.6 6.7 99 104 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.935 111.3 45.8 -59.3 -41.5 44.4 40.8 5.7 100 105 A R H X S+ 0 0 117 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.898 112.9 47.8 -69.4 -46.9 42.8 41.4 2.3 101 106 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.914 113.1 50.2 -57.7 -44.6 39.3 42.1 3.6 102 107 A X H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.929 108.4 51.9 -59.7 -49.6 40.8 44.5 6.2 103 108 A R H X S+ 0 0 139 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.849 113.3 43.8 -52.3 -45.7 42.8 46.4 3.6 104 109 A R H X S+ 0 0 113 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.865 115.3 48.8 -65.2 -42.0 39.8 46.9 1.4 105 110 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.903 113.5 45.9 -71.3 -41.5 37.6 47.9 4.3 106 111 A L H X S+ 0 0 13 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.835 110.5 53.5 -66.0 -40.5 40.1 50.4 5.8 107 112 A D H X S+ 0 0 110 -4,-1.6 4,-2.6 -5,-0.3 5,-0.2 0.956 109.2 47.6 -62.2 -45.0 40.8 51.9 2.5 108 113 A A H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.871 111.2 53.4 -61.9 -34.8 37.0 52.5 1.9 109 114 A A H X>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 4,-0.7 0.889 109.6 47.0 -64.4 -40.3 36.8 54.0 5.5 110 115 A H H ><5S+ 0 0 85 -4,-2.3 3,-1.4 2,-0.2 -2,-0.2 0.954 111.4 50.8 -66.0 -49.4 39.6 56.4 4.8 111 116 A E H 3<5S+ 0 0 171 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.870 106.2 57.1 -52.8 -42.8 37.9 57.4 1.4 112 117 A F H 3<5S- 0 0 57 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.740 123.3-105.6 -63.1 -25.9 34.7 58.0 3.3 113 118 A G T <<5 + 0 0 59 -3,-1.4 -3,-0.2 -4,-0.7 -2,-0.1 0.567 65.5 148.7 114.2 5.2 36.4 60.5 5.6 114 119 A L < - 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