==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-01 1KIE . COMPND 2 MOLECULE: INOSINE-ADENOSINE-GUANOSINE PREFERRING . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR W.VERSEES,K.DECANNIERE,E.VAN HOLSBEKE,N.DEVROEDE,J.STEYAERT . 629 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 75.4 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 . 22 3.5 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 . 65 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 4 5 0 0 2 0 6 3 2 0 0 3 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 . 0 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 0 A S 0 0 158 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -79.5 4.0 -15.2 4.8 2 2 A A - 0 0 15 27,-0.1 2,-0.3 24,-0.1 27,-0.2 -0.585 360.0-145.2 -78.1 132.3 5.4 -12.5 7.1 3 3 A K E -a 29 0A 68 25,-2.0 27,-2.9 -2,-0.3 2,-0.2 -0.688 22.2-100.7 -98.2 149.3 3.7 -9.1 6.8 4 4 A N E -ab 30 132A 14 127,-0.6 129,-3.0 -2,-0.3 2,-0.4 -0.480 43.5-178.0 -68.5 132.5 5.4 -5.7 7.1 5 5 A V E -ab 31 133A 0 25,-2.6 27,-2.5 -2,-0.2 28,-0.7 -0.984 17.1-166.0-133.9 142.5 4.9 -4.1 10.5 6 6 A V E -ab 33 134A 0 127,-2.3 129,-2.9 -2,-0.4 2,-0.6 -0.994 17.2-144.3-124.1 133.1 6.0 -0.8 11.9 7 7 A L E -ab 34 135A 0 26,-2.2 28,-2.2 -2,-0.4 2,-0.7 -0.893 11.5-169.6-101.2 124.3 5.7 -0.3 15.6 8 8 A D E +ab 35 136A 0 127,-3.1 129,-2.5 -2,-0.6 130,-1.3 -0.919 29.0 166.8-113.0 99.9 4.8 3.2 16.6 9 9 A H E -a 36 0A 0 26,-2.8 28,-2.0 -2,-0.7 129,-0.1 -0.680 49.0-137.0-122.7 174.7 5.3 3.3 20.3 10 10 A A - 0 0 0 26,-0.2 31,-1.4 -2,-0.2 29,-0.2 0.247 49.0-116.9-109.3 7.2 5.6 5.4 23.4 11 11 A G + 0 0 1 1,-0.2 76,-0.5 29,-0.1 2,-0.1 0.732 66.5 132.5 68.8 23.0 8.6 3.7 25.0 12 12 A N S > S- 0 0 25 74,-0.1 4,-1.6 75,-0.1 3,-0.4 -0.441 75.1 -84.4 -96.1-178.1 7.0 2.4 28.2 13 13 A L H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.907 127.9 43.2 -52.8 -48.3 7.3 -1.1 29.5 14 14 A D H > S+ 0 0 7 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.788 104.2 63.6 -73.4 -23.1 4.6 -2.6 27.5 15 15 A D H > S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.913 109.1 44.1 -62.0 -39.0 5.6 -0.8 24.3 16 16 A F H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.834 110.2 51.4 -75.4 -32.1 8.8 -2.9 24.6 17 17 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.935 111.7 50.7 -67.2 -39.2 7.0 -6.0 25.5 18 18 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.910 108.3 51.2 -60.7 -42.5 5.0 -5.3 22.3 19 19 A M H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.913 109.3 50.2 -60.7 -43.1 8.2 -4.8 20.4 20 20 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.914 110.3 50.6 -62.6 -42.8 9.5 -8.1 21.6 21 21 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.952 116.3 40.5 -60.5 -49.0 6.3 -9.8 20.5 22 22 A L H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.966 119.8 43.6 -63.6 -52.8 6.4 -8.3 17.1 23 23 A A H < S+ 0 0 0 -4,-3.4 3,-0.2 1,-0.2 -2,-0.2 0.890 112.1 53.0 -61.6 -41.5 10.1 -8.7 16.6 24 24 A S H < S+ 0 0 9 -4,-3.1 2,-1.2 -5,-0.3 -1,-0.2 0.754 95.5 70.6 -70.0 -23.8 10.3 -12.2 17.9 25 25 A N >X + 0 0 13 -4,-1.3 4,-3.1 -3,-0.5 3,-0.9 -0.458 55.1 156.2 -94.6 66.8 7.5 -13.6 15.7 26 26 A T T 34 + 0 0 70 -2,-1.2 -1,-0.2 1,-0.2 -24,-0.1 0.728 66.5 65.8 -62.2 -26.0 9.4 -13.5 12.4 27 27 A E T 34 S+ 0 0 94 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.911 121.5 19.6 -62.8 -39.0 7.2 -16.1 10.8 28 28 A K T <4 S+ 0 0 82 -3,-0.9 -25,-2.0 1,-0.2 2,-0.4 0.705 125.1 51.6-102.0 -25.6 4.3 -13.7 11.0 29 29 A V E < -a 3 0A 2 -4,-3.1 2,-0.7 -27,-0.2 -25,-0.2 -0.964 48.0-171.0-127.6 128.5 5.9 -10.3 11.3 30 30 A R E -a 4 0A 111 -27,-2.9 -25,-2.6 -2,-0.4 2,-0.9 -0.946 24.5-150.8-111.4 102.3 8.6 -8.6 9.4 31 31 A L E +a 5 0A 8 -2,-0.7 -25,-0.2 -27,-0.2 3,-0.1 -0.696 22.0 174.0 -79.3 108.4 9.3 -5.6 11.5 32 32 A I E - 0 0 32 -27,-2.5 2,-0.3 -2,-0.9 -26,-0.2 0.373 58.1 -20.0-100.0 3.5 10.5 -2.9 9.1 33 33 A G E -a 6 0A 0 -28,-0.7 -26,-2.2 33,-0.2 2,-0.3 -0.896 49.4-148.9 167.2 162.1 10.7 -0.0 11.4 34 34 A A E -ac 7 68A 0 33,-2.3 35,-2.6 -2,-0.3 2,-0.4 -0.986 5.1-161.9-147.6 155.4 9.8 1.6 14.7 35 35 A L E -ac 8 69A 0 -28,-2.2 -26,-2.8 -2,-0.3 2,-0.4 -0.983 11.2-146.9-137.5 149.3 9.3 5.1 15.9 36 36 A C E -ac 9 70A 0 33,-2.5 35,-3.6 -2,-0.4 2,-0.4 -0.950 8.8-150.8-119.0 141.4 9.3 6.3 19.5 37 37 A T - 0 0 1 -28,-2.0 2,-2.0 -2,-0.4 4,-0.4 -0.896 22.0-123.7-115.4 142.0 7.1 9.1 20.8 38 38 A D S S+ 0 0 72 35,-0.4 37,-0.3 33,-0.4 4,-0.1 -0.361 81.7 99.7 -81.5 56.5 8.0 11.4 23.6 39 39 A A S S+ 0 0 12 -2,-2.0 40,-0.2 2,-0.2 -1,-0.1 0.719 86.4 16.1-104.1 -92.7 4.8 10.6 25.5 40 40 A D S S+ 0 0 22 -3,-0.1 2,-0.3 1,-0.1 -29,-0.1 0.950 134.6 14.1 -49.5 -56.2 5.0 8.0 28.3 41 41 A C S S- 0 0 6 -31,-1.4 -2,-0.2 -4,-0.4 2,-0.1 -0.816 100.6 -73.0-125.7 161.0 8.8 8.2 28.6 42 42 A F >> - 0 0 116 -2,-0.3 4,-2.0 1,-0.2 3,-1.1 -0.276 45.0-135.3 -52.6 117.8 11.6 10.4 27.4 43 43 A V H 3> S+ 0 0 17 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.788 100.5 60.9 -50.5 -32.0 11.9 9.6 23.7 44 44 A E H 3> S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.926 107.9 44.9 -64.1 -41.3 15.7 9.4 23.7 45 45 A N H <> S+ 0 0 17 -3,-1.1 4,-3.2 2,-0.2 5,-0.3 0.934 113.7 48.4 -66.7 -45.1 15.4 6.5 26.2 46 46 A G H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.905 111.7 51.9 -60.7 -39.2 12.7 4.8 24.2 47 47 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.957 113.6 43.0 -59.6 -52.2 14.8 5.3 21.1 48 48 A N H X S+ 0 0 11 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.874 113.6 50.2 -64.5 -41.0 17.8 3.7 22.8 49 49 A V H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.953 111.5 49.6 -63.2 -46.2 15.8 0.9 24.3 50 50 A T H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.953 114.0 45.5 -55.5 -48.5 14.2 0.2 21.0 51 51 A G H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.916 113.8 49.0 -61.4 -42.5 17.7 0.2 19.3 52 52 A K H X S+ 0 0 8 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.861 113.4 45.5 -67.4 -36.5 19.2 -2.0 22.0 53 53 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.927 113.5 51.4 -70.2 -44.6 16.4 -4.5 21.9 54 54 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.940 113.8 42.9 -56.5 -49.5 16.5 -4.5 18.1 55 55 A C H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.873 110.6 55.1 -67.8 -38.1 20.3 -5.1 18.1 56 56 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.946 114.8 41.6 -57.4 -44.5 20.1 -7.7 20.9 57 57 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 6,-1.9 0.811 110.3 56.3 -74.3 -30.1 17.6 -9.6 18.7 58 58 A H H X S+ 0 0 58 -4,-2.3 4,-1.0 4,-0.3 -2,-0.2 0.963 113.7 41.1 -64.4 -46.8 19.5 -8.9 15.5 59 59 A N H < S+ 0 0 56 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.737 124.5 36.0 -72.3 -24.8 22.6 -10.6 17.1 60 60 A N H < S+ 0 0 64 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.652 135.0 14.4-107.9 -15.6 20.7 -13.4 18.7 61 61 A M H < S- 0 0 33 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.138 101.2-108.3-142.8 20.1 17.8 -14.4 16.4 62 62 A N < + 0 0 134 -4,-1.0 -4,-0.3 1,-0.2 -3,-0.1 0.804 49.2 179.3 56.6 32.6 18.9 -12.6 13.2 63 63 A L - 0 0 2 -6,-1.9 -1,-0.2 -9,-0.2 -2,-0.1 -0.483 35.4-114.6 -62.0 123.9 16.2 -10.0 13.5 64 64 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.400 31.6-112.8 -63.7 139.6 16.7 -7.8 10.4 65 65 A L - 0 0 66 -7,-0.1 -10,-0.0 -10,-0.0 -11,-0.0 -0.330 40.4-175.8 -65.8 154.3 17.8 -4.3 11.5 66 66 A F - 0 0 10 -3,-0.1 -33,-0.2 -2,-0.0 -34,-0.1 -0.970 31.9 -82.9-149.4 160.7 15.3 -1.6 10.7 67 67 A P - 0 0 27 0, 0.0 -33,-2.3 0, 0.0 2,-0.5 -0.393 36.7-163.5 -68.7 143.6 15.0 2.1 11.0 68 68 A I E -c 34 0A 0 -35,-0.2 2,-0.4 41,-0.1 47,-0.3 -0.996 10.6-171.6-128.4 123.8 14.1 3.6 14.3 69 69 A G E -c 35 0A 0 -35,-2.6 -33,-2.5 -2,-0.5 2,-0.5 -0.933 22.6-132.4-125.2 144.9 12.9 7.1 14.4 70 70 A K E -cd 36 116A 29 45,-1.0 47,-3.6 -2,-0.4 48,-0.3 -0.784 30.5-130.6 -90.0 125.2 12.1 9.6 17.2 71 71 A S - 0 0 7 -35,-3.6 -33,-0.4 -2,-0.5 -28,-0.1 -0.543 4.9-148.5 -77.1 144.6 8.9 11.3 16.6 72 72 A A + 0 0 61 -2,-0.2 -1,-0.1 -35,-0.1 -35,-0.1 0.432 55.4 133.7 -87.1 -3.4 8.7 15.1 16.9 73 73 A A - 0 0 12 1,-0.1 -35,-0.4 0, 0.0 2,-0.4 -0.189 43.3-155.3 -50.7 136.3 5.1 14.8 18.1 74 74 A T - 0 0 115 -37,-0.1 -35,-0.1 67,-0.1 3,-0.1 -0.899 23.7-101.3-114.6 147.9 4.4 16.9 21.1 75 75 A A - 0 0 29 -2,-0.4 115,-0.2 -37,-0.3 114,-0.1 -0.221 14.1-158.9 -65.5 150.3 1.7 16.1 23.6 76 76 A V S S+ 0 0 60 113,-3.8 114,-0.2 1,-0.3 -1,-0.2 0.811 98.7 24.9 -88.8 -47.3 -1.6 17.9 23.6 77 77 A N S S- 0 0 19 112,-1.9 -1,-0.3 111,-0.3 113,-0.0 -0.891 92.0-137.8-118.7 102.0 -2.0 16.7 27.2 78 78 A P - 0 0 93 0, 0.0 -39,-0.1 0, 0.0 -38,-0.1 -0.322 25.7-109.0 -61.0 136.1 1.3 16.1 28.8 79 79 A F - 0 0 22 1,-0.2 -4,-0.0 -40,-0.2 110,-0.0 -0.521 20.5-139.1 -56.4 117.4 1.4 13.0 31.0 80 80 A P S S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.764 77.7 114.3 -57.9 -9.1 1.5 14.7 34.4 81 81 A K + 0 0 45 1,-0.2 3,-0.1 2,-0.1 -40,-0.0 0.431 33.1 148.2 -45.4-177.8 3.9 11.8 34.5 82 82 A E + 0 0 82 -42,-0.1 2,-3.3 -40,-0.0 -1,-0.2 -0.293 64.6 103.8 165.3 -24.0 7.6 11.4 34.8 83 83 A W + 0 0 182 1,-0.1 2,-1.1 2,-0.1 -2,-0.1 -0.365 44.2 151.7 -73.7 59.6 6.5 8.2 36.6 84 84 A R - 0 0 20 -2,-3.3 2,-0.8 2,-0.1 5,-0.3 -0.807 34.9-159.6 -96.9 89.1 7.6 6.4 33.4 85 85 A C + 0 0 37 -2,-1.1 -1,-0.1 3,-0.1 2,-0.1 0.263 68.9 29.4 -58.0 17.1 8.4 3.0 35.0 86 86 A L S > S+ 0 0 0 -2,-0.8 3,-1.9 3,-0.1 2,-0.8 -0.282 85.4 57.3-139.8-136.9 10.6 2.2 31.9 87 87 A A T 3> S+ 0 0 0 -76,-0.5 4,-2.7 1,-0.3 5,-0.1 0.038 112.7 44.6 28.4 -70.4 12.7 3.5 29.0 88 88 A K H 3> S+ 0 0 71 -2,-0.8 4,-0.8 -4,-0.3 -1,-0.3 0.986 121.3 40.0 -56.8 -59.2 15.3 5.4 31.1 89 89 A N H X4 S+ 0 0 23 -3,-1.9 3,-2.1 -5,-0.3 4,-0.4 0.955 115.2 52.7 -51.6 -55.2 15.5 2.5 33.5 90 90 A M H >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.838 97.6 65.4 -52.7 -36.5 15.4 -0.0 30.8 91 91 A D H 3< S+ 0 0 12 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.777 107.0 43.1 -59.6 -25.1 18.2 1.6 28.9 92 92 A D T << S+ 0 0 10 -3,-2.1 -1,-0.3 -4,-0.8 -2,-0.2 0.384 82.8 124.3 -99.5 -0.1 20.5 0.7 31.8 93 93 A M X - 0 0 1 -3,-1.9 3,-1.0 -4,-0.4 4,-0.3 -0.391 64.7-132.9 -61.1 134.9 19.1 -2.8 32.2 94 94 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 452,-0.2 0.896 102.4 61.4 -60.9 -36.6 22.1 -5.2 31.9 95 95 A I G 3 S+ 0 0 5 1,-0.3 3,-0.4 2,-0.2 142,-0.1 0.790 107.9 46.4 -62.7 -22.4 20.4 -7.6 29.5 96 96 A L G < S+ 0 0 0 -3,-1.0 -1,-0.3 -6,-0.2 -40,-0.1 0.407 105.7 61.8 -96.4 0.6 20.2 -4.6 27.0 97 97 A N < + 0 0 5 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 -0.056 62.3 141.4-117.7 32.7 23.8 -3.5 27.5 98 98 A I >> - 0 0 19 -3,-0.4 4,-2.8 1,-0.1 3,-1.4 -0.630 57.6-124.6 -74.5 125.6 25.6 -6.6 26.3 99 99 A P H 3> S+ 0 0 67 0, 0.0 4,-3.7 0, 0.0 5,-0.3 0.827 106.6 52.0 -38.7 -54.1 28.7 -5.2 24.5 100 100 A E H 3> S+ 0 0 106 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.851 117.0 41.9 -59.2 -31.4 28.1 -7.0 21.1 101 101 A N H <> S+ 0 0 0 -3,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.926 116.8 44.8 -80.2 -46.6 24.6 -5.6 21.1 102 102 A V H X S+ 0 0 23 -4,-2.8 4,-3.5 1,-0.2 -2,-0.2 0.882 111.3 55.9 -62.9 -38.0 25.4 -2.1 22.3 103 103 A E H X S+ 0 0 54 -4,-3.7 4,-1.8 -5,-0.3 -1,-0.2 0.913 109.9 45.0 -61.6 -42.6 28.4 -2.1 19.9 104 104 A L H X S+ 0 0 32 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.937 112.7 51.0 -66.2 -45.7 26.0 -2.8 17.0 105 105 A W H >X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 3,-0.7 0.955 109.3 51.3 -56.9 -47.3 23.5 -0.2 18.3 106 106 A D H 3X S+ 0 0 96 -4,-3.5 4,-0.6 1,-0.2 -1,-0.2 0.862 106.5 55.0 -60.3 -33.5 26.3 2.3 18.5 107 107 A K H 3< S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.826 120.5 29.7 -68.4 -30.6 27.3 1.6 14.9 108 108 A I H < S+ 0 0 2 -4,-1.7 3,-1.2 1,-0.2 -42,-0.4 0.848 103.4 64.5 -70.7 -30.7 18.6 6.2 13.1 113 113 A E H 3< S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 95.6 60.2 -59.5 -32.3 19.2 9.5 14.9 114 114 A K T 3< S+ 0 0 171 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.3 0.703 83.6 97.5 -71.5 -19.4 18.6 11.3 11.6 115 115 A Y < - 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0 0 18 -3,-1.5 100,-0.2 100,-0.1 -3,-0.1 -0.892 66.2-141.9-127.1 158.8 9.0 18.6 57.0 496 180 B D - 0 0 68 98,-1.6 -8,-0.1 -2,-0.3 -5,-0.1 0.181 51.7-111.3 -98.4 15.6 11.8 21.0 56.3 497 181 B G S S+ 0 0 0 -7,-0.8 -9,-2.3 97,-0.3 -6,-0.1 0.661 87.7 115.5 67.1 16.5 13.9 18.5 54.4 498 182 B T + 0 0 48 96,-0.3 101,-0.4 -11,-0.2 2,-0.2 0.713 58.3 80.4 -89.1 -18.9 16.5 18.2 57.1 499 183 B A S S- 0 0 1 -9,-0.4 -10,-2.3 95,-0.3 -9,-2.2 -0.526 71.2-134.6 -92.0 155.2 15.8 14.6 57.9 500 184 B E > - 0 0 6 97,-0.7 4,-2.8 -12,-0.3 3,-0.3 -0.788 27.0-115.7-102.7 147.9 16.9 11.4 56.1 501 185 B W H > S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.856 107.7 51.3 -53.2 -49.2 14.4 8.7 55.4 502 186 B N H > S+ 0 0 7 2,-0.2 4,-0.6 1,-0.2 -46,-0.5 0.889 117.5 40.4 -59.4 -39.2 15.7 5.8 57.5 503 187 B I H >4 S+ 0 0 0 -3,-0.3 3,-1.1 1,-0.2 7,-0.3 0.926 113.5 54.2 -73.2 -44.3 16.0 8.0 60.6 504 188 B Y H 3< S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.790 97.3 66.3 -58.7 -33.0 12.7 9.7 59.8 505 189 B W H 3< S+ 0 0 2 -4,-2.2 -113,-3.5 1,-0.3 -112,-1.9 0.856 128.9 0.9 -58.0 -36.6 11.0 6.3 59.6 506 190 B D S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.890 79.8 58.3 -58.7 -44.1 13.4 8.8 65.0 508 192 B A H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.917 108.0 44.5 -54.4 -49.6 12.9 7.3 68.4 509 193 B S H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 113.0 52.4 -63.7 -41.6 14.8 4.1 67.6 510 194 B A H X S+ 0 0 0 -4,-1.9 4,-3.2 -7,-0.3 5,-0.3 0.910 107.5 52.1 -59.9 -42.0 17.4 6.2 65.9 511 195 B K H X S+ 0 0 78 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.957 109.1 50.3 -58.2 -49.4 17.8 8.3 68.9 512 196 B T H < S+ 0 0 40 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.914 115.3 42.9 -53.9 -47.0 18.3 5.2 71.1 513 197 B V H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.955 116.9 43.8 -67.2 -53.3 21.0 3.9 68.7 514 198 B F H 3< S+ 0 0 0 -4,-3.2 72,-0.4 1,-0.2 -1,-0.2 0.783 117.7 46.5 -66.5 -25.2 22.9 7.1 68.1 515 199 B G T 3< S+ 0 0 23 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.487 85.5 113.8 -94.2 -1.6 22.8 8.0 71.8 516 200 B C X - 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