==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-OCT-09 3A8T . COMPND 2 MOLECULE: ADENYLATE ISOPENTENYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMULUS LUPULUS; . AUTHOR H.-M.CHU,T.-P.KO,A.H.-J.WANG . 289 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 1 2 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 A R 0 0 294 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.6 50.7 10.7 7.4 2 29 A K - 0 0 117 122,-0.1 122,-0.1 1,-0.0 121,-0.0 -0.734 360.0-132.9 -94.7 108.3 47.1 11.7 8.5 3 30 A E - 0 0 58 -2,-0.8 122,-2.8 120,-0.2 2,-0.3 -0.227 16.0-116.7 -61.0 140.3 46.3 11.1 12.2 4 31 A K E -a 125 0A 49 120,-0.2 2,-0.4 82,-0.1 122,-0.2 -0.572 32.9-179.3 -80.4 132.2 43.1 9.4 13.4 5 32 A L E -a 126 0A 0 120,-2.2 122,-1.8 -2,-0.3 2,-0.4 -0.982 19.3-146.4-138.3 124.2 40.8 11.4 15.5 6 33 A L E -ab 127 97A 1 90,-2.5 92,-3.2 -2,-0.4 2,-0.5 -0.755 17.1-160.0 -88.7 133.9 37.6 10.4 17.1 7 34 A V E -ab 128 98A 0 120,-3.3 122,-3.1 -2,-0.4 2,-0.7 -0.964 5.8-161.0-120.6 118.6 35.0 13.1 17.3 8 35 A L E +ab 129 99A 0 90,-3.2 92,-1.6 -2,-0.5 2,-0.3 -0.901 23.0 179.1-103.2 113.7 32.1 13.0 19.7 9 36 A M E +a 130 0A 0 120,-3.6 122,-3.0 -2,-0.7 2,-0.2 -0.743 16.9 103.1-115.6 159.5 29.3 15.3 18.6 10 37 A G - 0 0 1 90,-0.3 3,-0.1 -2,-0.3 122,-0.1 -0.759 63.1 -61.1 148.7 162.5 25.8 16.4 19.7 11 38 A A S > S- 0 0 2 120,-0.4 3,-1.6 -2,-0.2 5,-0.2 -0.154 75.4 -64.6 -63.4 167.5 23.9 19.1 21.4 12 39 A T T 3 S+ 0 0 21 1,-0.3 -1,-0.2 214,-0.1 130,-0.1 -0.249 120.4 13.2 -54.5 131.7 24.5 20.2 25.0 13 40 A G T 3 S+ 0 0 13 -3,-0.1 -1,-0.3 35,-0.1 -2,-0.1 0.606 80.4 129.0 75.8 12.8 23.7 17.5 27.5 14 41 A T S < S- 0 0 2 -3,-1.6 -2,-0.1 117,-0.1 -1,-0.1 0.362 85.6 -98.7 -83.3 12.8 23.5 14.6 25.1 15 42 A G S > S+ 0 0 20 3,-0.1 4,-2.1 -5,-0.1 5,-0.1 0.779 75.5 142.7 83.7 23.4 25.9 12.5 27.2 16 43 A K H > S+ 0 0 18 -5,-0.2 4,-2.1 2,-0.2 5,-0.1 0.909 72.8 46.8 -64.6 -45.4 29.1 13.1 25.1 17 44 A S H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 111.5 53.9 -59.9 -45.1 31.5 13.2 28.0 18 45 A R H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 3,-0.2 0.920 109.2 47.4 -49.9 -53.6 29.9 10.1 29.5 19 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.896 106.8 56.9 -62.6 -38.1 30.4 8.2 26.3 20 47 A S H X S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.860 110.9 45.0 -62.4 -35.2 34.0 9.4 26.0 21 48 A I H >X S+ 0 0 25 -4,-1.9 3,-0.9 -3,-0.2 4,-0.7 0.903 110.5 51.9 -76.8 -41.9 34.7 7.9 29.4 22 49 A D H >< S+ 0 0 30 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.918 107.2 54.2 -59.7 -40.3 32.8 4.6 28.7 23 50 A L H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 3,-1.3 0.743 96.2 68.1 -65.0 -21.8 34.9 4.1 25.5 24 51 A A H << S+ 0 0 26 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.766 88.4 63.7 -71.6 -25.3 38.1 4.5 27.6 25 52 A A T << S+ 0 0 93 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.710 115.5 32.0 -70.1 -14.1 37.4 1.2 29.3 26 53 A H T <4 S+ 0 0 106 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.631 124.9 37.3-111.3 -26.9 37.7 -0.4 25.7 27 54 A F S < S- 0 0 22 -4,-1.9 2,-0.4 68,-0.0 -1,-0.3 -0.988 81.4-118.3-135.5 126.9 40.3 1.8 24.1 28 55 A P + 0 0 82 0, 0.0 67,-2.4 0, 0.0 2,-0.3 -0.434 60.9 147.6 -61.0 117.1 43.3 3.5 25.5 29 56 A L E -c 95 0A 7 -2,-0.4 2,-0.3 65,-0.3 -5,-0.0 -0.916 41.5-146.4-149.3 173.9 42.4 7.2 24.9 30 57 A E E -c 96 0A 10 65,-2.0 67,-1.9 -2,-0.3 2,-0.4 -0.987 24.9-124.2-143.9 148.1 42.6 10.8 26.0 31 58 A V E -cd 97 60A 2 28,-2.6 30,-2.4 -2,-0.3 2,-0.5 -0.780 12.8-165.3-105.0 138.8 40.1 13.5 25.7 32 59 A I E -cd 98 61A 0 65,-2.7 67,-3.1 -2,-0.4 2,-0.4 -0.986 26.0-132.9-116.2 122.0 40.3 17.0 24.2 33 60 A N E +c 99 0A 7 28,-2.8 67,-0.2 -2,-0.5 65,-0.1 -0.667 24.3 179.4 -77.8 131.7 37.4 19.2 25.2 34 61 A S + 0 0 0 65,-2.6 68,-1.1 -2,-0.4 2,-0.6 0.166 46.7 111.4-115.8 11.0 35.8 21.1 22.3 35 62 A D - 0 0 36 64,-0.6 4,-0.4 66,-0.2 -2,-0.1 -0.771 62.0-147.3 -86.4 120.1 33.1 23.0 24.3 36 63 A K S S+ 0 0 58 -2,-0.6 37,-0.2 1,-0.2 -1,-0.1 0.693 94.2 46.8 -68.3 -16.6 34.1 26.6 24.2 37 64 A M S > S+ 0 0 26 1,-0.1 3,-1.6 2,-0.1 -1,-0.2 0.827 106.0 60.4 -87.4 -35.6 32.9 27.6 27.7 38 65 A Q T 3 S+ 0 0 12 1,-0.3 26,-2.1 9,-0.1 -2,-0.2 0.505 86.2 76.0 -69.1 -5.3 34.5 24.5 29.3 39 66 A V T 3 S+ 0 0 0 -4,-0.4 27,-2.4 24,-0.3 26,-1.3 0.735 83.1 82.7 -79.1 -20.5 37.9 25.6 28.2 40 67 A Y B < S-f 66 0B 2 -3,-1.6 2,-0.3 24,-0.2 27,-0.2 -0.589 85.2-119.7 -88.7 144.7 38.0 28.2 31.0 41 68 A K S S+ 0 0 94 25,-2.4 2,-0.1 -2,-0.2 24,-0.1 -0.595 78.7 53.0 -73.5 137.4 38.9 27.5 34.6 42 69 A G S S+ 0 0 28 -2,-0.3 5,-0.1 22,-0.1 -2,-0.1 -0.366 75.9 51.3 120.3 158.2 35.8 28.4 36.6 43 70 A L > + 0 0 10 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 0.839 55.3 172.9 40.4 50.1 32.1 27.9 37.0 44 71 A D T 4>S+ 0 0 92 2,-0.2 5,-2.3 1,-0.2 4,-0.4 0.852 77.2 41.9 -53.2 -37.5 32.6 24.2 36.9 45 72 A I T >45S+ 0 0 43 3,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.979 113.9 48.6 -73.4 -57.6 28.9 23.7 37.8 46 73 A T T 345S+ 0 0 4 1,-0.3 -2,-0.2 108,-0.1 -1,-0.2 0.821 114.6 46.6 -52.1 -37.1 27.4 26.3 35.5 47 74 A T T 3<5S- 0 0 6 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.537 107.5-125.9 -87.3 -5.1 29.5 25.0 32.5 48 75 A N T < 5 - 0 0 47 -3,-1.7 2,-0.2 -4,-0.4 -3,-0.2 0.877 37.8-176.9 63.9 43.5 28.6 21.4 33.2 49 76 A K < - 0 0 24 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.528 36.6-105.6 -70.5 135.8 32.2 20.2 33.3 50 77 A I - 0 0 23 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.436 43.8-108.6 -58.3 130.7 32.4 16.5 33.8 51 78 A S - 0 0 49 -2,-0.1 3,-0.2 1,-0.1 4,-0.2 -0.268 20.7-122.2 -60.7 149.9 33.5 15.9 37.5 52 79 A V S > S+ 0 0 100 1,-0.2 3,-2.3 2,-0.2 5,-0.5 0.910 111.5 57.2 -64.1 -42.8 37.0 14.6 37.9 53 80 A P G > S+ 0 0 111 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.909 106.8 52.8 -54.8 -36.4 35.9 11.5 39.8 54 81 A D G 3 S+ 0 0 108 1,-0.2 -2,-0.2 -3,-0.2 -3,-0.1 0.425 88.2 77.1 -78.9 -0.7 33.8 10.7 36.8 55 82 A R G X S- 0 0 43 -3,-2.3 3,-2.4 -4,-0.2 -1,-0.2 0.514 92.3-138.6 -84.7 -4.9 36.6 11.0 34.3 56 83 A G T < - 0 0 63 -3,-1.0 -2,-0.1 -4,-0.4 -4,-0.1 0.728 64.0 -57.5 58.6 24.5 37.8 7.5 35.4 57 84 A G T 3 S+ 0 0 71 -5,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.572 96.8 149.5 85.1 5.2 41.4 8.5 35.3 58 85 A V < - 0 0 19 -3,-2.4 2,-0.3 1,-0.1 -1,-0.3 -0.537 51.1-116.5 -73.4 138.7 41.1 9.5 31.7 59 86 A P - 0 0 57 0, 0.0 -28,-2.6 0, 0.0 2,-0.4 -0.564 33.2-162.2 -76.0 130.6 43.5 12.3 30.7 60 87 A H E -d 31 0A 31 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.909 6.2-165.8-115.6 147.9 41.7 15.5 29.6 61 88 A H E +d 32 0A 34 -30,-2.4 -28,-2.8 -2,-0.4 3,-0.1 -0.919 68.6 18.8-127.7 151.7 43.0 18.5 27.6 62 89 A L S S+ 0 0 21 -2,-0.3 2,-0.6 -30,-0.2 -1,-0.1 0.836 89.0 131.6 60.7 32.4 41.6 22.0 27.0 63 90 A L S S- 0 0 14 -3,-0.2 -24,-0.3 1,-0.1 -1,-0.2 -0.897 81.1 -29.4-123.6 103.1 39.4 21.5 30.0 64 91 A G S S+ 0 0 19 -26,-2.1 -24,-0.2 -2,-0.6 -25,-0.2 0.815 103.6 109.6 66.9 36.5 39.3 24.3 32.5 65 92 A E + 0 0 130 -26,-1.3 2,-0.4 -24,-0.1 -25,-0.2 0.451 46.3 93.5-120.4 -2.8 42.8 25.5 31.9 66 93 A V B S-f 40 0B 29 -27,-2.4 -25,-2.4 -4,-0.1 3,-0.1 -0.780 76.0-125.5 -92.0 132.9 42.3 28.9 30.2 67 94 A D > - 0 0 40 -2,-0.4 3,-2.1 -27,-0.2 4,-0.1 -0.680 11.6-150.7 -80.7 109.9 42.3 31.9 32.5 68 95 A P G > S+ 0 0 42 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.835 92.8 70.3 -47.9 -35.0 39.0 33.8 31.8 69 96 A A G 3 S+ 0 0 86 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.854 88.5 64.5 -52.1 -37.1 40.8 37.0 32.8 70 97 A R G < S- 0 0 199 -3,-2.1 -1,-0.3 1,-0.2 2,-0.1 0.338 110.7-115.4 -73.2 8.9 42.9 36.8 29.6 71 98 A G < - 0 0 30 -3,-2.1 -1,-0.2 -4,-0.1 108,-0.2 -0.399 57.8 -13.9 92.2-167.4 39.9 37.2 27.3 72 99 A E - 0 0 72 -2,-0.1 2,-1.1 106,-0.1 105,-0.0 -0.435 53.8-131.9 -76.9 142.7 38.2 34.9 24.8 73 100 A L - 0 0 15 -37,-0.2 -1,-0.1 -2,-0.1 -34,-0.1 -0.845 36.3-144.3 -88.1 104.6 40.0 31.8 23.5 74 101 A T > - 0 0 54 -2,-1.1 4,-2.4 1,-0.1 3,-0.1 -0.237 20.1-109.5 -70.1 162.9 39.4 32.3 19.9 75 102 A P H > S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.784 123.3 52.7 -61.2 -27.9 38.7 29.5 17.4 76 103 A A H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.870 106.8 50.9 -75.7 -37.4 42.1 30.1 16.0 77 104 A D H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 111.7 50.4 -61.8 -43.3 43.7 29.9 19.5 78 105 A F H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.902 104.7 54.2 -61.3 -48.2 41.8 26.6 19.8 79 106 A R H X S+ 0 0 43 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.918 113.4 45.3 -52.6 -44.2 43.0 25.1 16.5 80 107 A S H X S+ 0 0 53 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.973 116.5 41.6 -65.5 -57.6 46.5 25.8 17.7 81 108 A L H X S+ 0 0 65 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.921 120.9 42.7 -55.8 -48.6 46.2 24.4 21.2 82 109 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.794 107.6 56.8 -73.3 -34.7 44.1 21.4 20.2 83 110 A G H X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.4 -1,-0.2 0.890 107.9 51.9 -62.0 -36.1 46.1 20.4 17.1 84 111 A K H X S+ 0 0 107 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.953 110.5 47.0 -62.0 -50.2 49.1 20.2 19.5 85 112 A A H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.842 109.1 54.0 -60.9 -37.9 47.2 17.9 21.8 86 113 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.965 111.9 46.0 -62.1 -43.5 46.0 15.7 19.0 87 114 A S H X S+ 0 0 63 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.874 112.9 49.2 -65.7 -38.9 49.6 15.4 18.0 88 115 A E H X S+ 0 0 100 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.884 109.4 50.5 -69.6 -40.4 50.8 14.7 21.5 89 116 A I H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 -2,-0.2 0.884 109.6 49.5 -65.0 -46.6 48.2 12.0 22.3 90 117 A T H ><5S+ 0 0 46 -4,-1.9 3,-2.2 -5,-0.2 -1,-0.2 0.872 105.2 61.6 -60.4 -37.5 48.9 10.0 19.1 91 118 A G H 3<5S+ 0 0 56 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.931 102.9 47.6 -55.7 -45.6 52.5 10.3 20.2 92 119 A R T 3<5S- 0 0 106 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.323 121.3-113.3 -79.4 13.7 51.7 8.4 23.3 93 120 A R T < 5S+ 0 0 218 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.718 76.4 123.5 62.7 25.7 49.9 5.9 21.1 94 121 A K < - 0 0 76 -5,-2.2 -65,-0.3 -67,-0.0 -1,-0.2 -0.844 69.0-102.6-112.6 156.3 46.4 6.6 22.5 95 122 A L E - c 0 29A 15 -67,-2.4 -65,-2.0 -2,-0.3 2,-0.3 -0.606 30.4-136.2 -77.8 126.8 43.5 7.7 20.5 96 123 A P E - c 0 30A 3 0, 0.0 -90,-2.5 0, 0.0 2,-0.5 -0.677 19.9-162.5 -80.5 139.4 42.7 11.4 20.7 97 124 A V E -bc 6 31A 0 -67,-1.9 -65,-2.7 -2,-0.3 2,-0.7 -0.965 11.0-147.2-128.6 114.3 38.9 12.1 21.2 98 125 A L E -bc 7 32A 0 -92,-3.2 -90,-3.2 -2,-0.5 2,-0.6 -0.727 23.1-174.0 -81.0 114.6 37.4 15.5 20.5 99 126 A V E +bc 8 33A 5 -67,-3.1 -65,-2.6 -2,-0.7 -64,-0.6 -0.925 32.0 64.6-120.0 115.0 34.4 15.9 23.0 100 127 A G - 0 0 4 -92,-1.6 -90,-0.3 -2,-0.6 -65,-0.1 -0.920 66.4-106.8 159.6 173.3 32.1 18.8 22.8 101 128 A G + 0 0 4 -2,-0.3 2,-1.3 -92,-0.1 -66,-0.2 0.240 67.0 112.3-119.3 15.9 29.6 20.9 21.1 102 129 A S >> - 0 0 18 -68,-1.1 4,-2.7 1,-0.2 3,-1.3 -0.773 42.7-170.6 -92.1 96.9 31.1 24.1 19.8 103 130 A N H 3> S+ 0 0 15 -2,-1.3 4,-2.4 1,-0.3 5,-0.2 0.797 84.9 61.0 -58.1 -25.4 30.8 23.5 16.2 104 131 A S H 3> S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.847 109.5 41.2 -70.2 -32.6 32.9 26.6 15.7 105 132 A F H <> S+ 0 0 3 -3,-1.3 4,-2.1 -71,-0.3 -2,-0.2 0.886 114.1 51.5 -80.2 -40.7 35.8 25.0 17.6 106 133 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 -72,-0.2 -2,-0.2 0.943 115.0 43.2 -60.4 -47.0 35.3 21.6 16.0 107 134 A H H X S+ 0 0 77 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.940 110.8 53.0 -64.6 -48.7 35.4 23.1 12.5 108 135 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 115.1 43.5 -52.8 -45.8 38.3 25.5 13.2 109 136 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.902 115.7 45.2 -67.9 -43.4 40.3 22.5 14.4 110 137 A L H < S+ 0 0 0 -4,-2.3 13,-3.5 -5,-0.2 14,-0.5 0.757 87.8 95.8 -78.6 -30.3 39.4 19.9 11.7 111 138 A V B < S-G 122 0C 23 -4,-2.1 11,-0.2 11,-0.2 3,-0.2 -0.102 71.7-128.1 -64.1 161.2 39.7 21.8 8.4 112 139 A D S S+ 0 0 85 9,-2.2 2,-0.5 1,-0.3 10,-0.1 0.893 99.3 21.8 -72.9 -44.0 42.7 21.8 6.1 113 140 A R S S- 0 0 227 8,-0.3 2,-0.5 2,-0.0 -1,-0.3 -0.984 83.6-138.7-128.0 121.8 43.0 25.5 5.8 114 141 A F - 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