==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-NOV-07 3B9G . COMPND 2 MOLECULE: IAG-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR A.VANDEMEULEBROUCKE,S.DE VOS,E.VAN HOLSBEKE,J.STEYAERT, . 633 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 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 . 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 . 56 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 8 1 3 0 2 0 4 4 4 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 4 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 S 0 0 142 0, 0.0 26,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -59.0 17.5 3.4 31.6 2 2 A A - 0 0 14 24,-0.1 2,-0.3 27,-0.1 27,-0.3 -0.369 360.0-134.9 -65.0 147.6 16.5 6.0 29.0 3 3 A K E -a 29 0A 76 25,-2.1 27,-3.1 -2,-0.1 2,-0.2 -0.820 22.3-102.6-107.2 149.0 18.3 9.3 29.1 4 4 A N E -ab 30 132A 9 127,-0.6 129,-2.8 -2,-0.3 2,-0.4 -0.512 43.1-178.1 -71.9 131.7 16.6 12.7 28.8 5 5 A V E -ab 31 133A 0 25,-2.7 27,-2.6 -2,-0.2 28,-0.8 -0.992 17.2-164.4-132.4 140.5 17.1 14.4 25.4 6 6 A V E -ab 33 134A 0 127,-2.4 129,-3.1 -2,-0.4 2,-0.6 -0.988 16.4-143.7-118.0 132.8 16.0 17.7 24.0 7 7 A L E -ab 34 135A 0 26,-2.0 28,-2.5 -2,-0.4 2,-0.7 -0.892 12.3-171.0 -98.3 120.9 16.2 18.3 20.2 8 8 A D E +ab 35 136A 0 127,-3.1 129,-2.8 -2,-0.6 130,-1.1 -0.918 29.9 155.9-112.9 99.0 17.2 21.8 19.2 9 9 A H E -a 36 0A 0 26,-2.8 28,-2.0 -2,-0.7 129,-0.1 -0.704 49.7-138.2-129.1 171.5 16.6 21.8 15.4 10 10 A D - 0 0 2 26,-0.2 26,-0.1 -2,-0.2 29,-0.1 0.063 51.3-108.2-127.1 27.5 15.9 24.0 12.4 11 11 A G + 0 0 0 1,-0.2 76,-0.2 35,-0.1 31,-0.2 0.651 66.1 137.0 69.6 24.5 13.2 22.1 10.5 12 12 A N S > S- 0 0 18 29,-0.1 4,-1.6 74,-0.1 -1,-0.2 -0.403 70.5 -92.6 -89.3 179.6 15.0 20.7 7.4 13 13 A L H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.904 126.0 47.6 -64.3 -42.8 14.4 17.2 6.2 14 14 A D H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.844 105.9 60.0 -68.2 -29.6 17.4 15.7 8.1 15 15 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 108.1 45.8 -59.2 -40.1 16.3 17.5 11.3 16 16 A F H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.860 109.6 51.8 -76.6 -33.0 13.0 15.6 11.0 17 17 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 110.3 51.7 -62.0 -44.0 14.7 12.3 10.3 18 18 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.925 108.1 51.4 -55.1 -46.3 16.8 13.0 13.4 19 19 A M H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.928 109.8 48.9 -57.4 -47.7 13.6 13.7 15.4 20 20 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.914 110.6 51.3 -60.6 -42.0 12.1 10.3 14.2 21 21 A L H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.931 114.2 42.7 -61.3 -45.8 15.3 8.5 15.2 22 22 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 7,-0.2 0.963 117.9 45.3 -64.0 -51.0 15.4 10.0 18.7 23 23 A A H 3< S+ 0 0 1 -4,-2.9 3,-0.2 1,-0.2 -2,-0.2 0.836 110.2 53.2 -66.3 -34.1 11.7 9.6 19.3 24 24 A S H 3< S+ 0 0 11 -4,-2.7 2,-0.9 -5,-0.2 -1,-0.2 0.689 96.2 70.5 -75.8 -18.4 11.5 6.0 18.0 25 25 A N XX + 0 0 14 -4,-0.9 4,-2.6 -3,-0.8 3,-1.1 -0.471 55.9 155.2-100.3 63.6 14.3 4.7 20.2 26 26 A T T 34 + 0 0 59 -2,-0.9 -1,-0.2 1,-0.3 -24,-0.1 0.713 64.6 65.4 -66.7 -25.6 12.4 4.9 23.6 27 27 A E T 34 S+ 0 0 155 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.868 120.5 22.0 -61.1 -35.9 14.6 2.3 25.3 28 28 A K T <4 S+ 0 0 87 -3,-1.1 -25,-2.1 1,-0.2 2,-0.5 0.723 124.2 49.8-102.7 -30.4 17.6 4.6 25.0 29 29 A V E < -a 3 0A 4 -4,-2.6 2,-0.7 -27,-0.3 -1,-0.2 -0.967 50.0-167.5-126.9 125.5 16.0 8.1 24.6 30 30 A R E -a 4 0A 90 -27,-3.1 -25,-2.7 -2,-0.5 2,-0.8 -0.942 22.9-149.5-104.5 107.2 13.4 9.9 26.6 31 31 A L E +a 5 0A 12 -2,-0.7 -25,-0.2 -27,-0.2 3,-0.1 -0.701 23.6 171.9 -83.6 108.4 12.5 12.9 24.4 32 32 A I E - 0 0 32 -27,-2.6 2,-0.3 -2,-0.8 -26,-0.2 0.470 57.6 -16.7-101.5 -2.7 11.5 15.6 26.8 33 33 A G E -a 6 0A 0 -28,-0.8 -26,-2.0 33,-0.2 2,-0.3 -0.940 50.1-147.7 175.2 165.0 11.3 18.6 24.5 34 34 A A E -ac 7 68A 1 33,-2.0 35,-2.3 -2,-0.3 2,-0.3 -0.990 6.6-164.1-145.1 151.1 12.0 20.1 21.2 35 35 A L E -ac 8 69A 0 -28,-2.5 -26,-2.8 -2,-0.3 2,-0.4 -0.985 8.4-150.1-135.9 149.9 12.7 23.6 19.8 36 36 A C E -ac 9 70A 0 33,-2.3 35,-3.1 -2,-0.3 2,-0.3 -0.966 7.4-154.6-121.6 137.0 12.7 24.9 16.4 37 37 A T - 0 0 0 -28,-2.0 2,-2.1 -2,-0.4 3,-0.1 -0.852 25.8-121.2-113.8 145.8 14.7 27.8 15.0 38 38 A D S S+ 0 0 53 35,-0.4 37,-0.2 33,-0.4 -28,-0.1 -0.300 85.0 98.2 -79.9 51.1 14.0 30.1 12.0 39 39 A A S S+ 0 0 0 -2,-2.1 40,-0.3 -30,-0.1 2,-0.2 0.741 93.5 7.4-105.1 -91.8 17.2 29.0 10.2 40 40 A D S S+ 0 0 18 -3,-0.1 2,-0.3 38,-0.1 47,-0.2 -0.064 134.2 41.6 -88.2 39.0 16.9 26.3 7.6 41 41 A C S S- 0 0 0 -2,-0.2 2,-0.7 45,-0.1 44,-0.2 -0.944 92.2-102.5-161.5 160.8 13.1 26.5 7.9 42 42 A F >> - 0 0 106 42,-0.8 4,-1.7 -2,-0.3 3,-1.3 -0.956 45.8-133.5 -88.3 120.6 10.3 29.1 8.3 43 43 A V H 3> S+ 0 0 21 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.746 98.7 58.8 -57.0 -32.6 9.8 28.4 11.9 44 44 A E H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.901 109.9 45.1 -62.5 -38.6 6.0 28.2 11.9 45 45 A N H <> S+ 0 0 19 -3,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.914 112.6 49.5 -70.7 -43.4 6.3 25.3 9.4 46 46 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.883 111.6 51.2 -62.0 -39.3 9.1 23.6 11.4 47 47 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.942 111.5 46.2 -59.8 -49.8 6.9 24.0 14.5 48 48 A N H X S+ 0 0 16 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.892 112.6 49.5 -64.7 -41.7 3.9 22.5 12.9 49 49 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.917 109.5 52.3 -65.3 -41.5 5.8 19.5 11.4 50 50 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.932 112.7 45.6 -56.3 -47.6 7.4 18.8 14.8 51 51 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.919 112.2 50.3 -61.1 -45.7 3.9 18.7 16.4 52 52 A K H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.877 112.2 46.7 -65.3 -38.4 2.5 16.6 13.6 53 53 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.946 112.6 49.9 -65.1 -47.6 5.3 14.0 13.9 54 54 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.915 112.3 47.8 -57.3 -43.0 5.0 13.9 17.7 55 55 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.902 109.7 51.4 -69.8 -40.9 1.3 13.4 17.5 56 56 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.931 114.5 44.7 -54.6 -46.5 1.5 10.7 14.9 57 57 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 6,-1.3 0.869 110.4 53.7 -73.1 -34.3 4.0 8.9 17.1 58 58 A H H X S+ 0 0 57 -4,-2.6 4,-1.1 4,-0.3 -1,-0.2 0.932 113.0 43.7 -60.8 -43.7 2.1 9.4 20.3 59 59 A N H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.689 124.0 34.5 -77.2 -18.9 -1.0 7.9 18.8 60 60 A N H < S+ 0 0 63 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.614 134.6 15.9-116.5 -16.3 0.8 4.9 17.1 61 61 A M H < S- 0 0 37 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.226 99.3-110.2-140.3 14.7 3.6 4.0 19.5 62 62 A N < + 0 0 137 -4,-1.1 -4,-0.3 -5,-0.3 -3,-0.1 0.738 50.1 174.1 64.3 24.7 2.7 5.7 22.7 63 63 A L - 0 0 4 -6,-1.3 -1,-0.2 -9,-0.1 -2,-0.1 -0.492 38.2-113.3 -58.6 123.8 5.5 8.3 22.5 64 64 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.371 30.4-111.4 -64.5 141.8 4.9 10.6 25.4 65 65 A L - 0 0 68 -7,-0.1 -10,-0.0 -3,-0.0 -11,-0.0 -0.387 40.4-175.7 -67.3 150.2 3.9 14.2 24.4 66 66 A F - 0 0 13 -2,-0.1 -33,-0.2 -32,-0.0 2,-0.1 -0.955 31.4 -81.7-144.4 161.5 6.5 16.9 25.2 67 67 A P - 0 0 31 0, 0.0 -33,-2.0 0, 0.0 2,-0.4 -0.411 36.6-164.1 -65.4 140.6 6.8 20.7 24.9 68 68 A I E -c 34 0A 0 -35,-0.2 2,-0.3 -2,-0.1 47,-0.3 -0.996 10.8-174.1-126.3 124.8 7.7 22.2 21.6 69 69 A G E -c 35 0A 0 -35,-2.3 -33,-2.3 -2,-0.4 2,-0.5 -0.840 22.6-132.8-121.0 154.0 8.9 25.8 21.4 70 70 A K E -cd 36 116A 38 45,-0.5 47,-2.8 -2,-0.3 48,-0.3 -0.921 29.2-129.8-102.2 127.5 9.8 28.3 18.7 71 71 A S - 0 0 9 -35,-3.1 -33,-0.4 -2,-0.5 -28,-0.1 -0.547 4.6-148.1 -78.7 142.0 13.1 30.1 19.2 72 72 A A + 0 0 64 -2,-0.2 -1,-0.1 -35,-0.1 -35,-0.1 0.419 54.7 134.5 -83.0 1.6 13.3 33.9 18.9 73 73 A A - 0 0 11 1,-0.1 -35,-0.4 0, 0.0 2,-0.4 -0.175 42.4-152.7 -55.8 137.7 16.8 33.6 17.6 74 74 A T - 0 0 115 -37,-0.1 3,-0.1 67,-0.1 -35,-0.1 -0.892 20.2-103.2-115.1 147.6 17.6 35.7 14.6 75 75 A A - 0 0 34 -2,-0.4 115,-0.2 -37,-0.2 114,-0.1 -0.299 15.1-165.2 -62.7 143.4 20.3 35.0 12.0 76 76 A V S S+ 0 0 66 113,-2.9 114,-0.2 1,-0.3 -1,-0.2 0.826 101.2 10.4 -81.7 -47.2 23.6 36.7 11.7 77 77 A N S S- 0 0 30 112,-1.8 -1,-0.3 111,-0.2 113,-0.0 -0.893 94.0-137.0-131.0 99.4 23.8 35.2 8.2 78 78 A P - 0 0 81 0, 0.0 -39,-0.1 0, 0.0 3,-0.1 -0.162 18.9-108.0 -61.6 146.4 20.4 33.7 7.0 79 79 A F - 0 0 12 -40,-0.3 2,-0.1 1,-0.1 5,-0.1 -0.285 49.9 -82.2 -62.4 154.5 20.0 30.4 5.1 80 80 A P >> - 0 0 33 0, 0.0 3,-1.5 0, 0.0 4,-1.0 -0.402 35.9-129.6 -60.5 136.3 19.1 30.5 1.3 81 81 A K H 3> S+ 0 0 70 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.792 103.5 65.0 -57.0 -33.1 15.3 30.9 0.9 82 82 A E H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.680 105.6 43.0 -68.4 -21.0 15.1 28.0 -1.5 83 83 A W H X4 S+ 0 0 111 -3,-1.5 3,-1.0 1,-0.1 -1,-0.2 0.684 102.8 67.6 -93.5 -23.9 16.2 25.5 1.2 84 84 A R H 3< S+ 0 0 62 -4,-1.0 -42,-0.8 1,-0.2 3,-0.5 0.582 84.5 71.8 -77.3 -9.8 13.9 26.9 3.9 85 85 A C T 3X + 0 0 61 -4,-0.5 4,-1.6 1,-0.2 3,-0.5 0.522 70.0 91.0 -84.7 -6.0 10.6 25.9 2.2 86 86 A L H <> S+ 0 0 36 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.850 81.3 55.2 -64.1 -35.5 11.0 22.2 2.9 87 87 A A H > S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.861 104.8 56.2 -64.1 -32.7 9.1 22.2 6.2 88 88 A K H > S+ 0 0 79 -3,-0.5 4,-0.8 -4,-0.3 -2,-0.2 0.938 107.4 48.4 -61.9 -46.5 6.2 23.9 4.4 89 89 A N H >< S+ 0 0 27 -4,-1.6 3,-1.2 1,-0.2 4,-0.3 0.934 111.7 49.5 -56.1 -48.4 6.2 20.9 2.0 90 90 A M H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 6,-0.2 0.868 100.4 63.9 -61.0 -37.4 6.3 18.5 4.9 91 91 A D H 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.747 106.7 45.5 -59.8 -23.4 3.4 20.2 6.7 92 92 A D T << S+ 0 0 11 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.419 83.4 123.1-101.0 0.3 1.2 19.3 3.8 93 93 A M X - 0 0 0 -3,-1.7 3,-1.7 -4,-0.3 4,-0.4 -0.387 65.8-130.2 -66.1 133.7 2.3 15.6 3.4 94 94 A P G > S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 453,-0.1 0.876 106.0 60.5 -49.7 -43.1 -0.6 13.1 3.7 95 95 A I G 3 S+ 0 0 10 1,-0.3 3,-0.4 2,-0.2 142,-0.1 0.753 108.4 44.2 -57.1 -28.2 1.3 11.0 6.3 96 96 A L G < S+ 0 0 1 -3,-1.7 -1,-0.3 -6,-0.2 -3,-0.1 0.372 107.3 61.5 -98.6 3.4 1.4 14.0 8.6 97 97 A N < + 0 0 7 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 -0.042 60.7 140.1-124.6 32.1 -2.3 14.9 8.1 98 98 A I >> - 0 0 20 -3,-0.4 4,-2.3 1,-0.1 3,-1.3 -0.623 58.5-123.3 -74.0 127.8 -4.2 11.9 9.3 99 99 A P H 3> S+ 0 0 58 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.809 106.2 51.8 -45.7 -47.4 -7.2 13.3 11.2 100 100 A E H 3> S+ 0 0 103 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.847 115.7 44.0 -60.5 -31.9 -6.7 11.5 14.6 101 101 A N H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.899 114.2 47.5 -79.7 -41.0 -3.2 12.9 14.6 102 102 A V H X S+ 0 0 28 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.855 109.3 55.0 -68.5 -35.7 -4.1 16.4 13.4 103 103 A E H X S+ 0 0 139 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.895 108.4 48.8 -64.2 -38.8 -6.9 16.6 16.0 104 104 A L H X S+ 0 0 27 -4,-1.2 4,-1.6 -5,-0.2 -2,-0.2 0.939 112.3 47.7 -64.5 -46.8 -4.5 15.8 18.7 105 105 A W H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.941 109.3 54.0 -60.3 -43.0 -2.0 18.5 17.5 106 106 A D H < S+ 0 0 103 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.867 107.6 52.4 -57.4 -37.3 -4.9 21.0 17.2 107 107 A K H < S+ 0 0 169 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 120.9 29.5 -66.7 -37.4 -5.8 20.3 20.9 108 108 A I H X S+ 0 0 21 -4,-1.6 4,-1.3 -3,-0.4 3,-0.2 0.472 94.1 92.1-106.5 -3.9 -2.2 20.9 22.2 109 109 A K H X S+ 0 0 52 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.888 80.6 57.2 -61.5 -42.0 -0.9 23.4 19.8 110 110 A A H > S+ 0 0 75 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.877 104.8 51.0 -62.5 -37.6 -1.9 26.6 21.7 111 111 A E H 4 S+ 0 0 128 -3,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.889 113.5 46.0 -65.8 -37.6 0.0 25.6 24.9 112 112 A N H >< S+ 0 0 5 -4,-1.3 3,-1.1 1,-0.2 -42,-0.3 0.842 104.6 61.5 -73.7 -33.3 3.1 25.0 22.7 113 113 A E H 3< S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.829 96.7 61.8 -57.3 -33.9 2.6 28.3 20.9 114 114 A K T 3< S+ 0 0 97 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.714 87.3 90.8 -72.7 -20.2 3.0 30.1 24.1 115 115 A Y < - 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