==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-DEC-08 3FFS . COMPND 2 MOLECULE: INOSINE-5-MONOPHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR T.V.RIERA,J.A.D'AQUINO,J.LU,G.A.PETSKO,L.HEDSTROM . 1199 21 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 794 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 171 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 4.8 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 . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 0.1 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 . 86 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 2 0 1 4 4 9 3 3 6 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 9 18 7 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 . 5 7 4 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 . 6 3 4 1 1 0 0 3 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 T 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.2 -52.4 -32.1 55.5 2 4 A K + 0 0 55 1211,-0.1 1212,-1.7 1140,-0.1 2,-0.3 0.924 360.0 85.1 -65.4 -49.7 -55.4 -34.4 56.2 3 5 A N E +a 1214 0A 36 1210,-0.2 1212,-0.2 1,-0.1 3,-0.1 -0.419 58.8 175.1 -52.4 112.9 -53.4 -36.7 58.6 4 6 A I E - 0 0 74 1210,-2.3 -1,-0.1 1,-0.3 1211,-0.1 0.730 49.8 -37.0 -84.6 -98.3 -53.7 -34.8 61.9 5 7 A G E - 0 0 38 1209,-0.0 1211,-1.3 1211,-0.0 2,-0.4 -0.333 67.5 -86.1-109.0-168.8 -52.2 -36.8 64.7 6 8 A K E -a 1216 0A 63 1209,-0.2 2,-0.3 -2,-0.1 1211,-0.2 -0.908 44.5-135.4 -95.6 133.5 -51.9 -40.4 65.7 7 9 A G E -a 1217 0A 1 1209,-2.8 1211,-0.9 -2,-0.4 2,-0.4 -0.686 15.7-151.3 -92.3 148.8 -54.9 -41.7 67.6 8 10 A L - 0 0 10 -2,-0.3 185,-1.3 182,-0.2 184,-1.1 -0.958 6.9-163.2-126.9 138.0 -54.7 -43.9 70.7 9 11 A T > - 0 0 50 -2,-0.4 3,-1.6 182,-0.2 4,-0.4 -0.599 43.1 -96.7-104.8 171.6 -56.9 -46.6 72.4 10 12 A F G > S+ 0 0 2 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.923 125.6 56.1 -52.4 -45.4 -56.9 -48.0 75.9 11 13 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 1208,-0.1 293,-0.1 0.654 98.7 62.3 -62.0 -18.2 -54.9 -51.0 74.5 12 14 A D G < S+ 0 0 14 -3,-1.6 290,-2.9 289,-0.1 2,-0.3 0.523 104.5 49.2 -85.3 -7.0 -52.2 -48.6 73.2 13 15 A I E < -D 301 0B 1 -3,-1.6 2,-0.4 -4,-0.4 288,-0.2 -0.930 55.1-160.5-136.7 150.5 -51.2 -47.3 76.6 14 16 A L E -D 300 0B 38 286,-1.1 286,-2.4 -2,-0.3 479,-0.2 -0.998 32.8-117.8-128.8 134.5 -50.3 -48.3 80.1 15 17 A L E -De 299 493B 0 477,-3.0 479,-2.0 -2,-0.4 284,-0.3 -0.350 26.3-125.6 -70.9 151.2 -50.6 -45.8 83.0 16 18 A V - 0 0 7 282,-1.8 282,-0.4 477,-0.2 2,-0.1 -0.883 19.2-124.5-111.1 121.9 -47.4 -44.9 84.9 17 19 A P - 0 0 4 0, 0.0 268,-0.2 0, 0.0 2,-0.2 -0.343 29.0-177.3 -66.9 136.2 -47.1 -45.2 88.6 18 20 A N - 0 0 31 266,-1.0 268,-0.3 1,-0.1 424,-0.1 -0.687 43.9 -51.9-121.8 179.4 -46.2 -42.2 90.8 19 21 A Y - 0 0 68 -2,-0.2 2,-0.4 266,-0.1 424,-0.2 -0.268 60.5-162.5 -56.7 133.7 -45.5 -41.7 94.6 20 22 A S B +g 443 0C 9 422,-1.6 424,-1.6 1,-0.1 425,-0.3 -0.970 34.4 162.4-134.5 127.0 -48.4 -43.0 96.7 21 23 A E + 0 0 124 -2,-0.4 2,-0.3 422,-0.2 -1,-0.1 0.661 63.5 79.7-103.1 -26.2 -49.5 -42.5 100.3 22 24 A V S S- 0 0 42 260,-0.2 264,-0.2 261,-0.1 265,-0.1 -0.695 71.3-128.3-103.6 142.5 -53.1 -43.8 99.9 23 25 A L >> - 0 0 71 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.469 27.4-111.8 -81.5 145.6 -54.4 -47.4 99.9 24 26 A P G >4 S+ 0 0 53 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.829 119.8 50.7 -41.5 -38.0 -56.8 -48.9 97.2 25 27 A R G 34 S+ 0 0 188 1,-0.2 255,-0.1 255,-0.1 254,-0.0 0.677 105.3 54.6 -78.1 -15.8 -59.5 -49.0 99.9 26 28 A E G <4 S+ 0 0 119 -3,-1.9 -1,-0.2 253,-0.1 2,-0.2 0.295 81.1 112.1-102.1 2.4 -59.2 -45.4 101.2 27 29 A V << - 0 0 3 -3,-0.6 2,-0.5 -4,-0.5 262,-0.2 -0.518 65.1-129.2 -77.2 144.3 -59.6 -43.7 97.8 28 30 A S - 0 0 52 260,-1.8 262,-0.1 -2,-0.2 13,-0.1 -0.854 16.7-170.2 -96.6 129.7 -62.7 -41.6 97.1 29 31 A L + 0 0 5 -2,-0.5 2,-0.2 11,-0.3 -1,-0.1 0.044 39.8 132.1-106.8 24.1 -64.6 -42.4 93.9 30 32 A E + 0 0 98 11,-0.1 260,-0.6 12,-0.1 2,-0.2 -0.534 24.8 150.5 -74.7 143.0 -67.0 -39.5 93.9 31 33 A T E -H 39 0D 18 8,-1.1 8,-1.5 -2,-0.2 2,-0.4 -0.737 41.8 -90.6-149.9-164.9 -67.3 -37.6 90.6 32 34 A K E -H 38 0D 79 6,-0.2 6,-0.2 -2,-0.2 3,-0.1 -0.978 18.0-175.0-125.4 140.4 -69.8 -35.5 88.7 33 35 A L S S- 0 0 0 4,-2.7 2,-0.3 1,-0.5 5,-0.2 0.801 85.2 -11.1 -93.2 -42.7 -72.4 -36.5 86.1 34 36 A T S S- 0 0 0 3,-1.7 -1,-0.5 142,-0.1 3,-0.3 -0.874 87.9 -85.9-140.7 176.4 -73.5 -33.0 85.4 35 37 A K S S+ 0 0 113 140,-0.6 141,-0.1 -2,-0.3 3,-0.1 0.790 129.7 29.7 -55.3 -27.2 -72.7 -29.7 87.2 36 38 A N S S+ 0 0 112 1,-0.1 2,-0.5 139,-0.1 -1,-0.2 0.540 111.0 69.1-113.1 -14.9 -75.7 -30.3 89.6 37 39 A V - 0 0 5 -3,-0.3 -4,-2.7 61,-0.0 -3,-1.7 -0.952 63.9-167.1-114.1 117.7 -75.9 -34.1 89.8 38 40 A S E -H 32 0D 54 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.386 7.1-146.1 -95.2 174.8 -73.1 -36.0 91.6 39 41 A L E -H 31 0D 0 -8,-1.5 -8,-1.1 -2,-0.1 26,-0.2 -0.933 13.6-149.2-132.8 159.2 -72.2 -39.7 91.7 40 42 A K S S+ 0 0 68 24,-1.4 -11,-0.3 1,-0.4 25,-0.2 0.665 94.6 23.3-100.4 -27.8 -70.7 -42.0 94.5 41 43 A I S S- 0 0 6 23,-0.2 2,-0.7 2,-0.2 -1,-0.4 -0.981 84.9-121.1-131.8 150.5 -68.9 -44.2 91.9 42 44 A P S S+ 0 0 0 0, 0.0 190,-2.7 0, 0.0 2,-0.4 -0.069 73.7 110.5 -85.2 35.9 -68.0 -43.2 88.4 43 45 A L E -i 232 0E 2 -2,-0.7 23,-0.9 188,-0.2 2,-0.4 -0.937 40.5-177.2-115.1 130.1 -70.0 -45.9 86.5 44 46 A I E -ij 233 66E 2 188,-2.1 190,-2.4 -2,-0.4 2,-0.6 -0.976 25.5-127.3-121.5 138.4 -73.1 -45.3 84.4 45 47 A S E -ij 234 67E 0 21,-2.1 23,-1.3 -2,-0.4 190,-0.2 -0.771 36.1-104.3 -93.9 124.8 -75.1 -48.1 82.7 46 48 A S - 0 0 8 188,-3.1 2,-0.6 -2,-0.6 22,-0.5 0.273 19.5-116.1 -43.4 158.8 -75.6 -47.7 79.0 47 49 A A S S+ 0 0 27 22,-0.1 24,-0.5 20,-0.1 2,-0.3 -0.346 71.2 132.3 -91.6 49.8 -78.9 -46.6 77.4 48 50 A M >> - 0 0 71 -2,-0.6 4,-1.9 22,-0.2 3,-1.7 -0.834 64.1-133.0-107.2 142.2 -79.2 -50.1 75.6 49 51 A D T 34 S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.3 197,-0.0 0.625 110.0 54.6 -69.1 -13.8 -82.3 -52.3 75.5 50 52 A T T 34 S+ 0 0 33 195,-0.1 -1,-0.3 194,-0.1 196,-0.2 0.493 119.3 30.8 -91.7 -6.9 -80.0 -55.3 76.4 51 53 A V T <4 S+ 0 0 0 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.817 109.9 37.0-114.2 -57.7 -78.7 -53.5 79.5 52 54 A T < + 0 0 0 -4,-1.9 18,-1.3 -6,-0.2 -1,-0.2 -0.901 48.1 127.9-123.2 118.1 -80.9 -51.1 81.4 53 55 A E S S- 0 0 57 -2,-0.5 4,-0.5 190,-0.5 16,-0.1 0.103 78.7 -56.6-120.1-113.3 -84.6 -50.9 82.3 54 56 A H S > S+ 0 0 53 2,-0.1 4,-1.9 3,-0.1 5,-0.2 0.900 130.0 49.1 -97.6 -52.3 -85.8 -50.4 85.8 55 57 A L H > S+ 0 0 81 1,-0.2 4,-0.8 2,-0.2 189,-0.1 0.730 115.5 49.1 -62.2 -24.5 -84.4 -53.1 88.0 56 58 A M H > S+ 0 0 0 187,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.916 107.7 50.5 -77.9 -50.6 -80.9 -52.3 86.4 57 59 A A H > S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 10,-0.3 0.771 111.9 50.5 -57.4 -29.4 -81.1 -48.6 87.0 58 60 A V H X S+ 0 0 7 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.804 108.0 52.2 -77.9 -35.3 -82.0 -49.3 90.6 59 61 A G H < S+ 0 0 16 -4,-0.8 4,-0.5 -5,-0.2 -2,-0.2 0.947 112.0 47.0 -62.7 -48.9 -79.1 -51.7 91.0 60 62 A M H ><>S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 5,-0.9 0.961 112.8 46.6 -57.2 -59.0 -76.8 -48.9 89.7 61 63 A A H ><5S+ 0 0 0 -4,-2.2 35,-2.0 1,-0.3 3,-1.6 0.843 106.1 58.1 -53.8 -42.4 -78.1 -46.1 91.9 62 64 A R T 3<5S+ 0 0 26 -4,-1.9 -1,-0.3 1,-0.3 32,-0.2 0.624 109.3 48.4 -63.7 -14.3 -78.0 -48.3 95.1 63 65 A L T < 5S- 0 0 40 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.340 128.1 -93.8-108.3 2.9 -74.3 -48.7 94.3 64 66 A G T < 5S+ 0 0 0 -3,-1.6 -24,-1.4 1,-0.4 -23,-0.2 -0.201 99.5 82.5 113.4 -41.0 -73.5 -45.1 93.7 65 67 A G < - 0 0 0 -5,-0.9 -1,-0.4 -26,-0.2 2,-0.3 0.231 68.8-128.8 -76.3-161.6 -73.8 -44.9 89.9 66 68 A I E -j 44 0E 0 -23,-0.9 -21,-2.1 -3,-0.1 2,-0.3 -0.951 6.5-124.9-144.4 172.4 -77.0 -44.5 87.9 67 69 A G E -j 45 0E 0 37,-0.4 39,-1.6 -10,-0.3 2,-0.5 -0.838 7.7-148.0-114.1 157.6 -78.9 -46.0 85.0 68 70 A I E -k 106 0E 2 -23,-1.3 39,-0.3 -22,-0.5 -16,-0.2 -0.816 23.6-134.5-125.8 91.6 -80.1 -44.5 81.7 69 71 A I E -k 107 0E 0 37,-2.2 39,-2.3 -2,-0.5 -16,-0.2 -0.158 28.5-113.0 -48.9 126.4 -83.3 -46.2 80.6 70 72 A H - 0 0 8 -18,-1.3 -22,-0.2 -22,-0.3 3,-0.1 -0.087 10.5-135.9 -58.3 158.9 -83.1 -47.0 76.8 71 73 A K S S+ 0 0 89 -24,-0.5 2,-1.0 1,-0.2 -1,-0.1 0.352 75.1 108.9 -97.8 6.7 -85.4 -45.1 74.4 72 74 A N S S+ 0 0 120 6,-0.0 2,-0.2 2,-0.0 -1,-0.2 0.032 71.6 63.7 -76.0 31.2 -86.3 -48.3 72.4 73 75 A M S S- 0 0 36 -2,-1.0 -24,-0.0 1,-0.1 0, 0.0 -0.791 94.5 -65.6-141.3 177.6 -89.9 -48.3 73.8 74 76 A D > - 0 0 57 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.219 43.9-117.0 -61.3 158.0 -93.2 -46.3 73.9 75 77 A M H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.936 118.4 51.6 -61.6 -46.7 -93.3 -42.9 75.6 76 78 A E H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.953 108.3 51.1 -49.4 -58.0 -95.8 -44.4 78.1 77 79 A S H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 110.7 47.4 -49.5 -48.9 -93.5 -47.4 78.9 78 80 A Q H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.818 107.6 55.0 -69.5 -35.8 -90.5 -45.2 79.6 79 81 A V H X S+ 0 0 33 -4,-2.0 4,-1.5 -3,-0.3 -1,-0.2 0.863 112.0 45.8 -61.7 -35.5 -92.4 -42.8 81.9 80 82 A N H X S+ 0 0 40 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.853 109.3 54.5 -75.7 -34.7 -93.4 -45.9 83.9 81 83 A E H < S+ 0 0 18 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.783 110.2 45.7 -71.5 -31.8 -89.8 -47.4 83.9 82 84 A V H >X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.1 3,-0.7 0.870 111.5 54.8 -72.4 -41.1 -88.4 -44.1 85.4 83 85 A L H >X S+ 0 0 71 -4,-1.5 4,-2.8 1,-0.2 3,-0.6 0.959 98.4 59.4 -55.1 -57.0 -91.3 -44.0 87.9 84 86 A K H 3< S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.756 110.9 45.0 -45.0 -29.5 -90.6 -47.5 89.3 85 87 A V H <4 S+ 0 0 0 -3,-0.7 3,-0.4 -4,-0.4 18,-0.3 0.845 109.9 52.4 -82.3 -39.8 -87.1 -46.2 90.2 86 88 A K H << S+ 0 0 5 -4,-1.8 2,-1.0 -3,-0.6 -2,-0.2 0.894 108.6 55.3 -65.3 -39.7 -88.4 -42.9 91.7 87 89 A N < + 0 0 89 -4,-2.8 2,-0.4 -5,-0.1 -1,-0.3 -0.643 59.3 128.7 -98.4 70.7 -90.7 -44.9 93.9 88 90 A W 0 0 144 -2,-1.0 15,-0.2 -3,-0.4 -1,-0.1 -0.795 360.0 360.0-111.5 80.1 -88.5 -47.3 95.8 89 91 A I 0 0 206 -2,-0.4 -1,-0.1 13,-0.1 -2,-0.0 0.846 360.0 360.0 -63.8 360.0 -90.0 -46.2 99.1 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 123 A A 0 0 166 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.8 -78.3 -52.2 103.7 92 124 A Y > + 0 0 39 1,-0.1 3,-0.8 3,-0.0 -29,-0.0 -0.623 360.0 160.2-134.8 64.0 -77.4 -50.0 100.7 93 125 A S T 3 + 0 0 117 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.841 68.6 55.9 -66.3 -35.8 -75.0 -47.5 102.3 94 126 A N T 3 S+ 0 0 73 -32,-0.2 -1,-0.3 2,-0.1 -54,-0.1 -0.185 82.2 142.9 -90.8 43.6 -73.3 -46.2 99.1 95 127 A E < - 0 0 70 -3,-0.8 2,-0.6 -2,-0.4 -33,-0.3 -0.454 48.4-132.0 -83.6 154.2 -76.6 -45.3 97.5 96 128 A N + 0 0 9 -35,-2.0 8,-2.1 -31,-0.2 2,-0.2 -0.919 30.5 178.0-113.8 108.6 -77.2 -42.2 95.3 97 129 A L B -Q 103 0F 65 -2,-0.6 6,-0.2 6,-0.2 2,-0.1 -0.658 24.0-120.2-108.1 160.6 -80.2 -40.1 96.1 98 130 A D > - 0 0 13 4,-2.6 3,-2.3 -2,-0.2 -1,-0.1 -0.346 46.0 -86.0 -86.4 176.5 -81.7 -36.9 94.7 99 131 A N T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.475 130.2 56.2 -60.2 1.5 -82.3 -33.7 96.6 100 132 A K T 3 S- 0 0 161 2,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.240 119.1-104.6-121.3 7.8 -85.6 -35.3 97.6 101 133 A G S < S+ 0 0 56 -3,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.710 82.5 109.8 80.3 25.6 -84.4 -38.5 99.2 102 134 A R S S- 0 0 78 -4,-0.1 -4,-2.6 1,-0.0 -2,-0.3 -0.944 76.1 -77.7-134.0 152.9 -85.1 -41.0 96.4 103 135 A L B -Q 97 0F 16 -18,-0.3 -6,-0.2 -2,-0.3 2,-0.2 -0.088 48.0-115.8 -56.3 141.6 -82.9 -43.0 94.0 104 136 A R + 0 0 18 -8,-2.1 -37,-0.4 -39,-0.2 2,-0.3 -0.462 38.1 171.3 -78.5 146.6 -81.4 -41.2 91.0 105 137 A V - 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0 0 1 742,-2.4 1027,-0.3 -2,-0.4 741,-0.1 -0.632 44.7-139.4 164.7 146.7 -64.0 -42.7 64.3 189 229 A V - 0 0 5 -8,-0.3 -8,-0.6 -2,-0.2 741,-0.0 -0.967 46.0-105.7-107.4 137.1 -61.4 -41.2 66.6 190 230 A P > - 0 0 12 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.224 30.1-109.0 -59.9 154.6 -60.1 -43.7 69.2 191 231 A Q H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.819 111.0 46.8 -60.1 -45.6 -61.2 -43.3 72.8 192 232 A I H > S+ 0 0 0 -184,-1.1 4,-0.8 2,-0.2 -1,-0.2 0.864 118.1 43.5 -68.5 -35.1 -58.1 -42.1 74.6 193 233 A T H > S+ 0 0 9 -185,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.785 116.0 48.9 -80.4 -29.8 -57.4 -39.4 72.0 194 234 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -186,-0.3 5,-0.2 0.949 109.9 49.7 -69.1 -52.6 -61.1 -38.5 71.9 195 235 A I H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.713 111.6 52.7 -58.4 -24.6 -61.4 -38.2 75.7 196 236 A E H X S+ 0 0 52 -4,-0.8 4,-1.4 -5,-0.2 3,-0.4 0.944 109.9 43.9 -77.2 -52.4 -58.3 -36.0 75.7 197 237 A K H X S+ 0 0 47 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.851 111.5 53.1 -64.3 -38.4 -59.4 -33.5 73.1 198 238 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.790 107.6 52.7 -71.4 -26.7 -62.9 -33.2 74.6 199 239 A S H X S+ 0 0 7 -4,-0.7 4,-1.2 -3,-0.4 -1,-0.2 0.755 91.6 73.2 -77.3 -30.8 -61.4 -32.4 78.0 200 240 A S H < S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.933 114.8 25.9 -41.4 -47.3 -59.2 -29.6 76.5 201 241 A V H < S+ 0 0 8 -4,-0.8 4,-0.2 -3,-0.1 -2,-0.2 0.926 122.7 49.1 -88.1 -50.9 -62.5 -27.7 76.3 202 242 A A H >X>S+ 0 0 0 -4,-2.2 3,-2.9 1,-0.2 2,-2.5 0.933 98.7 64.4 -64.2 -53.2 -64.8 -29.2 79.0 203 243 A S T 3<5S+ 0 0 68 -4,-1.2 -1,-0.2 1,-0.3 -4,-0.0 -0.485 101.1 55.5 -70.5 78.7 -62.3 -29.0 82.0 204 244 A K T 345S+ 0 0 149 -2,-2.5 -1,-0.3 3,-0.0 -2,-0.2 0.043 109.4 42.9 174.2 -27.0 -62.4 -25.2 81.7 205 245 A F T <45S- 0 0 102 -3,-2.9 -2,-0.2 -4,-0.2 -3,-0.1 0.332 111.9-116.0-111.4 -3.3 -66.1 -24.8 81.9 206 246 A G T <5 + 0 0 51 -4,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.668 65.9 149.3 76.5 18.7 -66.4 -27.4 84.8 207 247 A I < - 0 0 11 -5,-1.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.772 43.3-130.2 -94.4 118.2 -68.5 -29.6 82.5 208 248 A P - 0 0 4 0, 0.0 -31,-1.2 0, 0.0 2,-0.3 -0.425 14.4-142.0 -74.8 140.6 -68.0 -33.3 83.1 209 249 A I E -o 177 0E 2 19,-0.4 21,-2.3 -33,-0.2 22,-1.2 -0.775 3.3-148.6-101.8 144.0 -67.3 -35.8 80.4 210 250 A I E -op 178 231E 1 -33,-1.5 -31,-2.1 -2,-0.3 2,-0.9 -0.962 12.2-140.8-111.6 123.2 -68.7 -39.4 80.1 211 251 A A E -op 179 232E 0 20,-2.9 22,-3.1 -2,-0.5 2,-0.5 -0.775 27.3-169.5 -87.1 106.6 -66.5 -42.0 78.5 212 252 A D E - p 0 233E 29 -33,-1.3 22,-0.1 -2,-0.9 20,-0.0 -0.873 40.3 -5.9-109.7 123.8 -68.9 -44.2 76.4 213 253 A G S S+ 0 0 36 20,-0.9 -32,-0.1 -2,-0.5 3,-0.1 0.507 91.1 75.9 77.9 141.3 -68.1 -47.5 74.7 214 254 A G + 0 0 50 1,-0.2 2,-1.0 -34,-0.1 -204,-0.1 0.470 60.3 135.3 102.6 9.1 -64.8 -49.3 74.3 215 255 A I + 0 0 12 18,-0.2 20,-0.3 1,-0.2 22,-0.2 -0.749 13.2 155.1-100.4 94.8 -64.9 -50.6 77.9 216 256 A R - 0 0 158 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.893 63.5 -12.7 -81.3 -46.5 -63.9 -54.2 78.0 217 257 A Y S >> S- 0 0 86 57,-0.0 3,-1.8 1,-0.0 4,-0.9 -0.899 81.9 -70.0-152.4 179.0 -62.6 -54.5 81.6 218 258 A S H >> S+ 0 0 2 1,-0.3 4,-1.4 -2,-0.3 3,-0.5 0.784 117.5 62.5 -43.2 -44.3 -61.4 -52.8 84.8 219 259 A G H 3> S+ 0 0 2 270,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.847 101.4 52.9 -54.3 -36.8 -58.1 -51.5 83.3 220 260 A D H <> S+ 0 0 7 -3,-1.8 4,-1.6 269,-0.2 -1,-0.2 0.812 101.0 58.7 -71.1 -37.0 -60.0 -49.3 80.8 221 261 A I H <>S+ 0 0 0 -4,-1.6 3,-1.6 2,-0.2 5,-1.4 0.977 110.3 43.3 -68.7 -60.4 -60.5 -43.3 80.9 225 265 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.3 -2,-0.2 0.742 107.8 61.7 -62.6 -24.7 -60.8 -41.2 84.0 226 266 A A T 3<5S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 71,-0.2 0.751 102.4 49.8 -72.5 -23.6 -57.1 -40.5 84.1 227 267 A V T < 5S- 0 0 7 -3,-1.6 -1,-0.2 -4,-0.5 -28,-0.2 0.240 139.2 -67.8-106.8 12.2 -57.1 -38.8 80.7 228 268 A G T < 5S+ 0 0 14 -3,-0.9 -19,-0.4 1,-0.3 -3,-0.2 0.298 87.5 132.5 127.2 -7.3 -60.0 -36.4 81.5 229 269 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.1 -19,-0.2 -0.498 38.6-160.4 -75.0 141.9 -63.2 -38.5 81.9 230 270 A S S S+ 0 0 4 -21,-2.3 2,-0.3 1,-0.4 -198,-0.2 0.697 78.0 0.2 -91.1 -25.5 -65.4 -37.8 84.9 231 271 A S E - p 0 210E 0 -22,-1.2 -20,-2.9 -200,-0.1 -1,-0.4 -0.968 67.6-131.6-156.8 151.4 -67.2 -41.1 84.6 232 272 A V E -ip 43 211E 0 -190,-2.7 -188,-2.1 -2,-0.3 2,-0.5 -0.799 17.7-136.4-100.0 149.7 -67.2 -44.2 82.4 233 273 A M E -ip 44 212E 5 -22,-3.1 -20,-0.9 -2,-0.3 2,-0.3 -0.947 16.5-155.3-109.6 125.2 -70.3 -45.8 80.8 234 274 A I E +i 45 0E 1 -190,-2.4 -188,-3.1 -2,-0.5 -18,-0.1 -0.755 27.8 144.6-100.4 141.8 -70.5 -49.6 80.9 235 275 A G > + 0 0 10 -20,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.467 64.7 32.9-134.8 -87.0 -72.6 -51.6 78.4 236 276 A S G > S+ 0 0 78 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.674 109.8 69.6 -61.6 -19.0 -71.9 -55.0 76.9 237 277 A I G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -22,-0.2 3,-0.1 0.701 105.4 40.1 -70.2 -22.6 -70.1 -56.0 80.2 238 278 A L G X S+ 0 0 0 -3,-1.9 3,-0.8 1,-0.1 -1,-0.3 -0.084 86.0 119.8-113.3 28.2 -73.6 -56.0 81.9 239 279 A A T < S+ 0 0 7 -3,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.931 77.5 25.9 -71.9 -55.4 -75.4 -57.6 79.0 240 280 A G T 3 S+ 0 0 0 22,-0.4 24,-3.1 -4,-0.3 25,-0.7 -0.194 89.2 139.1-103.0 44.8 -76.9 -60.9 80.3 241 281 A T B X -s 265 0H 0 -3,-0.8 3,-2.4 22,-0.2 25,-0.2 -0.557 66.6-110.4 -92.0 153.4 -77.2 -59.9 83.9 242 282 A E T 3 S+ 0 0 64 23,-1.6 24,-0.1 1,-0.3 -1,-0.1 0.782 121.0 47.6 -49.6 -31.6 -80.2 -60.7 86.2 243 283 A E T 3 S+ 0 0 35 -188,-0.1 -190,-0.5 -187,-0.1 -187,-0.4 0.521 91.6 103.5 -91.7 -7.4 -81.2 -57.0 86.3 244 284 A S S < S- 0 0 8 -3,-2.4 -192,-0.2 -189,-0.1 -193,-0.1 -0.454 88.5-101.8 -71.9 150.7 -80.9 -56.7 82.5 245 285 A P S S+ 0 0 38 0, 0.0 -195,-0.1 0, 0.0 -194,-0.1 0.655 85.4 92.5 -53.7 -32.4 -84.1 -56.7 80.5 246 286 A G - 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