==== 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 IMMUNE SYSTEM 23-APR-07 2PN5 . COMPND 2 MOLECULE: THIOESTER-CONTAINING PROTEIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: ANOPHELES GAMBIAE; . AUTHOR R.H.G.BAXTER . 1283 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 870 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 410 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 152 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 2 2 0 0 1 1 0 3 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 PARALLEL BRIDGES PER LADDER . 6 2 5 4 8 9 11 8 1 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 7 5 3 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 1 A L 0 0 0 0, 0.0 567,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.5 40.2 83.0 141.0 2 2 A L E -AB 20 567A 4 18,-2.5 18,-3.3 565,-0.2 2,-0.5 -0.966 360.0-170.5-128.8 117.1 43.8 81.7 141.7 3 3 A V E +AB 19 566A 0 563,-2.7 563,-1.8 -2,-0.4 2,-0.4 -0.920 8.5 174.0-112.1 123.7 45.2 78.8 139.7 4 4 A V E +AB 18 565A 0 14,-3.4 14,-2.6 -2,-0.5 561,-0.2 -0.981 9.1 147.8-134.5 121.0 48.5 77.2 140.7 5 5 A G E - B 0 564A 0 559,-1.3 559,-3.0 -2,-0.4 12,-0.2 -0.932 50.1 -83.2-137.9 167.4 50.1 74.1 139.3 6 6 A P E - B 0 563A 2 0, 0.0 557,-0.3 0, 0.0 556,-0.1 -0.271 26.9-147.3 -63.4 156.4 53.7 72.8 138.7 7 7 A K S S+ 0 0 23 555,-2.4 82,-2.1 551,-0.1 2,-0.4 0.633 75.6 72.4 -99.1 -17.8 55.4 74.0 135.5 8 8 A F E -d 89 0B 50 554,-0.7 2,-0.4 426,-0.2 82,-0.2 -0.845 64.9-157.6-111.6 135.3 57.5 70.8 134.9 9 9 A I E -d 90 0B 4 80,-2.2 82,-3.2 -2,-0.4 2,-0.2 -0.875 7.8-171.7-116.4 140.5 56.1 67.5 133.7 10 10 A R - 0 0 50 -2,-0.4 82,-0.1 3,-0.2 5,-0.1 -0.740 36.2-101.1-125.7 176.5 57.4 63.9 134.0 11 11 A A S S+ 0 0 33 80,-0.3 81,-0.0 -2,-0.2 55,-0.0 0.787 110.2 2.4 -69.7 -33.8 56.6 60.4 132.7 12 12 A N S S+ 0 0 114 51,-0.1 49,-0.3 2,-0.1 -1,-0.1 0.640 93.9 115.5-127.8 -27.2 54.8 58.9 135.8 13 13 A Q S S- 0 0 64 1,-0.1 48,-0.7 47,-0.1 2,-0.4 -0.135 70.4-111.7 -50.3 138.0 54.5 61.6 138.5 14 14 A E E - C 0 60A 93 46,-0.2 2,-0.7 -5,-0.1 46,-0.2 -0.631 27.2-139.9 -71.8 125.7 51.0 62.7 139.3 15 15 A Y E - C 0 59A 8 44,-3.0 44,-1.7 -2,-0.4 2,-0.7 -0.824 17.8-162.4 -92.2 117.4 50.4 66.3 138.2 16 16 A T E - C 0 58A 6 -2,-0.7 420,-0.4 42,-0.2 2,-0.3 -0.881 5.5-169.0-109.4 110.0 48.4 68.2 140.8 17 17 A L E - C 0 57A 0 40,-2.5 40,-2.5 -2,-0.7 2,-0.4 -0.736 6.5-157.3 -89.7 142.8 46.6 71.4 139.9 18 18 A V E -AC 4 56A 0 -14,-2.6 -14,-3.4 -2,-0.3 2,-0.5 -0.991 7.7-173.0-122.0 127.9 45.2 73.6 142.6 19 19 A I E -AC 3 55A 0 36,-2.1 36,-1.7 -2,-0.4 2,-0.5 -0.987 7.0-161.3-118.3 127.2 42.4 76.1 141.9 20 20 A S E -AC 2 54A 0 -18,-3.3 -18,-2.5 -2,-0.5 2,-0.7 -0.950 2.9-158.1-115.0 124.0 41.4 78.5 144.6 21 21 A N E + C 0 53A 1 32,-2.7 31,-1.1 -2,-0.5 32,-1.0 -0.861 28.2 153.8-105.1 104.4 38.0 80.3 144.5 22 22 A F + 0 0 28 -2,-0.7 2,-0.3 30,-0.2 -1,-0.1 0.248 34.4 123.9-111.1 7.1 37.9 83.5 146.6 23 23 A N - 0 0 14 1,-0.1 29,-0.3 2,-0.0 -2,-0.0 -0.587 42.9-166.8 -71.6 127.4 35.2 85.2 144.5 24 24 A S S S+ 0 0 81 -2,-0.3 -1,-0.1 27,-0.1 27,-0.0 0.415 70.1 78.7 -98.5 -0.8 32.2 86.1 146.6 25 25 A Q S S+ 0 0 147 2,-0.0 -1,-0.1 0, 0.0 26,-0.0 0.997 94.8 35.5 -68.9 -72.5 29.8 86.9 143.8 26 26 A L S S- 0 0 82 1,-0.1 3,-0.1 24,-0.0 0, 0.0 -0.188 73.1-131.8 -76.1 169.6 28.7 83.4 142.7 27 27 A S S S+ 0 0 84 1,-0.3 24,-2.2 23,-0.1 2,-0.3 0.671 91.5 6.5 -92.0 -25.0 28.1 80.3 145.0 28 28 A K E -E 50 0C 78 22,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.975 66.7-139.7-150.8 159.1 30.2 78.1 142.7 29 29 A V E -E 49 0C 2 20,-2.8 20,-2.4 -2,-0.3 2,-0.4 -0.974 12.8-145.8-123.9 140.1 32.4 78.4 139.5 30 30 A D E -EF 48 77C 33 47,-0.5 47,-1.7 -2,-0.4 2,-0.3 -0.876 21.2-175.6-107.6 137.6 32.5 76.0 136.6 31 31 A L E -EF 47 76C 1 16,-2.5 16,-2.5 -2,-0.4 2,-0.4 -0.977 24.0-146.0-139.5 145.1 35.7 75.4 134.6 32 32 A L E -EF 46 75C 33 43,-2.8 43,-2.5 -2,-0.3 2,-0.5 -0.930 17.6-160.8-106.5 132.9 37.0 73.5 131.6 33 33 A L E -EF 45 74C 0 12,-1.0 12,-0.7 -2,-0.4 2,-0.4 -0.778 8.2-176.2-123.0 86.9 40.5 72.1 132.0 34 34 A K E -EF 44 73C 76 39,-1.4 39,-3.8 -2,-0.5 2,-0.4 -0.676 1.9-175.0 -80.9 130.6 42.3 71.3 128.7 35 35 A L E EF 43 72C 2 8,-1.9 8,-1.7 -2,-0.4 37,-0.2 -0.916 360.0 360.0-128.4 104.7 45.8 69.7 129.1 36 36 A E 0 0 72 35,-1.0 35,-0.4 -2,-0.4 6,-0.1 0.189 360.0 360.0-129.3 360.0 47.5 69.2 125.7 37 ! 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 38 43 A L > 0 0 135 0, 0.0 2,-1.5 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 161.8 52.9 67.3 119.7 39 44 A S T 3 + 0 0 127 1,-0.2 3,-0.1 31,-0.0 31,-0.1 -0.410 360.0 112.1 -89.0 61.6 49.5 65.5 120.0 40 45 A V T 3 S+ 0 0 66 -2,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.742 71.0 49.6-103.5 -33.5 50.5 62.9 122.7 41 46 A L < + 0 0 11 -3,-0.6 -1,-0.2 2,-0.0 20,-0.0 -0.910 51.8 163.0-107.7 140.1 48.4 64.1 125.6 42 47 A N + 0 0 124 -2,-0.4 2,-0.5 -6,-0.1 -6,-0.2 -0.382 18.7 149.5-151.6 65.0 44.7 64.9 125.3 43 48 A V E +E 35 0C 51 -8,-1.7 -8,-1.9 2,-0.0 2,-0.3 -0.891 15.1 175.4-110.2 128.4 43.1 65.0 128.8 44 49 A T E -E 34 0C 65 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.960 8.3-167.8-130.0 147.3 40.1 67.2 129.7 45 50 A K E -E 33 0C 82 -12,-0.7 -12,-1.0 -2,-0.3 2,-0.8 -0.955 19.1-143.7-142.2 119.8 38.1 67.6 132.9 46 51 A M E -E 32 0C 176 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.723 40.0-171.9 -77.7 108.5 34.7 69.3 133.5 47 52 A V E -E 31 0C 10 -16,-2.5 -16,-2.5 -2,-0.8 2,-0.4 -0.849 23.2-151.6-123.3 144.8 35.3 70.6 137.0 48 53 A D E -E 30 0C 42 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.909 10.6-176.0-113.4 131.3 33.4 72.3 139.8 49 54 A V E -E 29 0C 2 -20,-2.4 -20,-2.8 -2,-0.4 2,-0.1 -0.968 15.4-144.9-131.6 120.6 34.8 74.7 142.5 50 55 A R E > -E 28 0C 166 -2,-0.4 3,-0.8 -22,-0.2 -29,-0.3 -0.361 32.0 -88.0 -80.8 158.2 32.7 76.2 145.3 51 56 A R T 3 S+ 0 0 117 -24,-2.2 -29,-0.2 1,-0.2 -1,-0.1 -0.279 109.3 16.1 -65.8 149.7 33.1 79.6 146.8 52 57 A N T 3 S+ 0 0 45 -31,-1.1 2,-0.3 -29,-0.3 -1,-0.2 0.825 115.9 86.1 53.6 37.1 35.6 80.2 149.7 53 58 A M E < -C 21 0A 99 -32,-1.0 -32,-2.7 -3,-0.8 2,-0.4 -0.948 65.9-132.7-148.9 166.6 37.2 76.8 148.8 54 59 A N E -C 20 0A 28 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.994 11.3-148.9-127.0 143.5 39.9 75.2 146.7 55 60 A R E -C 19 0A 117 -36,-1.7 -36,-2.1 -2,-0.4 2,-0.5 -0.785 6.3-149.3 -98.9 149.9 39.8 72.1 144.5 56 61 A M E -C 18 0A 70 -2,-0.3 2,-0.6 -38,-0.2 -38,-0.2 -0.988 12.3-164.5-118.6 121.7 42.8 69.8 143.9 57 62 A I E -C 17 0A 7 -40,-2.5 -40,-2.5 -2,-0.5 2,-0.3 -0.933 6.3-152.0-112.9 119.0 42.8 68.1 140.5 58 63 A N E -C 16 0A 70 -2,-0.6 2,-0.4 -42,-0.2 -42,-0.2 -0.672 6.5-164.1 -92.8 142.5 45.1 65.1 139.9 59 64 A F E -C 15 0A 5 -44,-1.7 -44,-3.0 -2,-0.3 2,-0.7 -0.991 12.3-144.9-127.6 124.8 46.5 64.1 136.5 60 65 A N E -C 14 0A 118 -2,-0.4 -46,-0.2 -46,-0.2 -47,-0.1 -0.802 17.8-144.9 -88.4 112.1 48.1 60.7 135.8 61 66 A M - 0 0 7 -48,-0.7 2,-0.1 -2,-0.7 4,-0.1 -0.666 21.0-119.9 -79.0 126.4 51.0 61.2 133.3 62 67 A P - 0 0 45 0, 0.0 3,-0.2 0, 0.0 -49,-0.1 -0.405 17.3-123.4 -70.2 142.5 51.2 58.2 130.9 63 68 A E S S+ 0 0 149 1,-0.2 2,-1.9 -2,-0.1 -51,-0.1 0.849 100.7 66.8 -55.6 -43.2 54.6 56.4 130.9 64 69 A D + 0 0 132 -24,-0.1 2,-0.6 -52,-0.0 -1,-0.2 -0.440 66.7 146.7 -84.0 66.0 55.3 56.8 127.2 65 70 A L - 0 0 9 -2,-1.9 2,-0.2 -3,-0.2 -54,-0.1 -0.919 24.5-172.3-104.0 118.5 55.8 60.6 127.1 66 71 A T - 0 0 85 -2,-0.6 -26,-0.1 1,-0.2 24,-0.0 -0.455 38.8 -73.7 -94.9 172.2 58.3 61.9 124.7 67 72 A A S S+ 0 0 58 -2,-0.2 2,-0.3 1,-0.0 -1,-0.2 -0.340 77.0 108.7 -61.3 149.5 59.7 65.5 124.3 68 73 A G - 0 0 34 -3,-0.1 2,-0.5 22,-0.1 22,-0.3 -0.947 68.6 -45.2 175.0-155.1 57.2 67.9 122.7 69 74 A N - 0 0 137 -2,-0.3 2,-0.4 20,-0.1 20,-0.1 -0.952 51.2-173.9-113.0 119.6 55.0 70.9 123.3 70 75 A Y E + G 0 88C 18 -2,-0.5 18,-2.1 18,-0.5 2,-0.3 -0.894 5.5 172.7-120.3 143.8 52.8 70.8 126.4 71 76 A K E - G 0 87C 77 -2,-0.4 -35,-1.0 -35,-0.4 2,-0.3 -0.920 20.6-151.4-141.6 159.1 50.0 73.2 127.5 72 77 A I E -FG 35 86C 0 14,-1.5 14,-2.1 -2,-0.3 2,-0.4 -0.981 15.2-166.5-137.0 132.3 47.3 73.7 130.2 73 78 A T E -FG 34 85C 12 -39,-3.8 -39,-1.4 -2,-0.3 2,-0.5 -0.958 7.1-168.2-124.1 130.7 44.2 75.7 129.5 74 79 A I E -FG 33 84C 0 10,-3.1 10,-2.1 -2,-0.4 2,-0.5 -0.937 12.0-178.3-122.2 108.0 41.6 76.9 132.1 75 80 A D E -FG 32 83C 42 -43,-2.5 -43,-2.8 -2,-0.5 2,-0.7 -0.915 25.8-131.4-113.0 128.7 38.4 78.3 130.7 76 81 A G E -F 31 0C 16 6,-2.7 6,-0.4 -2,-0.5 4,-0.3 -0.670 29.8-155.7 -77.1 110.7 35.5 79.7 132.8 77 82 A Q E +F 30 0C 80 -47,-1.7 -47,-0.5 -2,-0.7 2,-0.1 -0.528 51.4 7.5 -89.4 157.9 32.3 78.0 131.6 78 83 A R S S- 0 0 192 -2,-0.2 2,-2.4 1,-0.2 -2,-0.0 -0.389 128.2 -7.5 72.2-150.1 28.8 79.4 131.9 79 84 A G S S+ 0 0 78 -2,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.308 116.3 85.8 -76.9 57.7 28.1 83.0 133.1 80 85 A F - 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0 0 17 -3,-1.0 6,-0.2 -4,-0.5 2,-0.1 -0.322 67.9-125.9 -65.8 144.9 94.0 57.4 94.5 906 938 A H > - 0 0 71 4,-2.1 3,-1.8 1,-0.1 -1,-0.1 -0.463 24.0-106.4 -86.6 159.7 93.9 57.4 90.7 907 939 A F T 3 S+ 0 0 209 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.858 122.8 55.5 -48.3 -39.6 92.3 54.7 88.5 908 940 A S T 3 S- 0 0 62 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.669 122.4-106.5 -73.4 -16.7 95.8 53.5 87.7 909 941 A G S < S+ 0 0 0 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.359 76.3 135.8 106.8 0.8 96.7 53.1 91.4 910 942 A R - 0 0 59 50,-0.1 -4,-2.1 -5,-0.1 2,-0.5 -0.538 44.8-145.2 -91.7 144.1 98.9 56.2 91.5 911 943 A F - 0 0 0 18,-0.5 22,-0.3 -2,-0.2 2,-0.3 -0.920 12.5-167.8-107.6 132.1 99.0 58.9 94.1 912 944 A D - 0 0 55 -2,-0.5 -43,-0.1 -8,-0.4 12,-0.1 -0.807 31.8 -93.6-107.8 158.6 99.7 62.6 93.3 913 945 A K - 0 0 89 10,-0.6 2,-0.3 -2,-0.3 -1,-0.1 -0.107 34.1-161.3 -64.1 162.8 100.6 65.3 95.8 914 946 A A + 0 0 15 2,-0.2 -45,-0.2 -48,-0.1 -44,-0.2 -0.982 54.6 5.8-146.7 142.8 98.0 67.6 97.3 915 947 A G S S- 0 0 29 -2,-0.3 -48,-0.1 -47,-0.1 -47,-0.1 -0.389 111.9 -9.4 77.2-162.8 98.5 71.0 99.0 916 948 A A - 0 0 25 -50,-0.3 2,-1.0 1,-0.1 -2,-0.2 -0.287 66.1-119.1 -70.5 151.3 101.9 72.7 99.0 917 949 A E + 0 0 55 1,-0.2 3,-0.2 -4,-0.1 -1,-0.1 -0.787 49.5 150.1 -90.4 97.7 105.1 71.0 97.9 918 950 A Y S S+ 0 0 2 -2,-1.0 260,-2.7 1,-0.2 2,-0.3 0.575 71.8 41.2-101.7 -16.5 107.3 71.0 101.1 919 951 A H >> - 0 0 0 258,-0.2 4,-2.8 -3,-0.2 3,-1.1 -0.741 67.6-173.6-136.5 85.6 109.2 67.8 100.3 920 952 A K H 3> S+ 0 0 47 -2,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.810 81.7 53.9 -47.9 -44.7 110.1 67.7 96.5 921 953 A E H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 10,-0.2 0.806 118.5 34.6 -69.4 -28.7 111.6 64.2 96.5 922 954 A M H <4 S+ 0 0 1 -3,-1.1 10,-0.6 9,-0.1 -2,-0.2 0.892 128.5 32.1 -86.9 -48.0 108.4 62.6 98.1 923 955 A Q H < S+ 0 0 3 -4,-2.8 -10,-0.6 8,-0.1 -3,-0.2 0.657 90.3 115.4 -89.9 -18.9 105.7 64.8 96.6 924 956 A G < - 0 0 18 -4,-2.2 8,-0.3 -5,-0.4 3,-0.3 -0.158 52.2-155.2 -59.0 144.2 107.3 65.5 93.2 925 957 A G + 0 0 50 1,-0.1 3,-0.4 3,-0.1 -1,-0.1 -0.147 66.7 103.2-109.8 37.4 105.6 64.2 90.1 926 958 A L S S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.579 83.2 44.2 -92.4 -14.2 108.7 64.1 87.9 927 959 A R S > S- 0 0 74 -3,-0.3 3,-1.4 41,-0.0 -1,-0.2 -0.365 128.4 -83.3-126.5 50.6 109.3 60.4 88.2 928 960 A N T 3 S- 0 0 70 -3,-0.4 -3,-0.1 1,-0.2 -2,-0.1 0.676 72.5 -78.3 58.8 21.5 105.7 59.0 87.7 929 961 A G T 3> S+ 0 0 5 -5,-0.2 4,-2.0 -19,-0.1 -18,-0.5 0.743 88.3 141.5 67.2 25.5 104.7 59.5 91.3 930 962 A V H <> + 0 0 4 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.886 64.0 53.2 -68.9 -42.0 106.5 56.4 92.4 931 963 A A H > S+ 0 0 4 -7,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.979 114.9 39.7 -58.6 -55.2 107.9 57.7 95.7 932 964 A L H > S+ 0 0 2 -10,-0.6 4,-2.7 -8,-0.3 5,-0.2 0.886 116.2 49.9 -66.0 -42.6 104.5 58.9 97.0 933 965 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -22,-0.3 -1,-0.2 0.954 113.1 48.2 -59.8 -47.4 102.6 55.9 95.7 934 966 A S H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.893 111.7 50.2 -60.8 -40.4 105.2 53.6 97.3 935 967 A Y H X S+ 0 0 11 -4,-2.7 4,-3.4 -5,-0.2 5,-0.2 0.950 109.5 48.8 -64.2 -51.2 105.0 55.5 100.6 936 968 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.921 115.2 45.4 -54.6 -46.2 101.2 55.4 100.9 937 969 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.959 113.1 50.4 -62.2 -49.6 101.2 51.7 100.1 938 970 A M H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.923 110.2 49.9 -51.1 -50.9 104.0 51.1 102.6 939 971 A A H < S+ 0 0 3 -4,-3.4 4,-0.5 1,-0.2 -1,-0.2 0.891 113.9 44.6 -60.6 -42.0 102.2 53.1 105.3 940 972 A L H >< S+ 0 0 3 -4,-2.2 3,-1.1 -5,-0.2 7,-0.4 0.898 110.7 55.5 -66.9 -39.8 99.0 51.1 104.8 941 973 A L H 3< S+ 0 0 10 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.835 96.7 64.3 -62.9 -34.1 101.0 47.8 104.7 942 974 A E T 3< S+ 0 0 66 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 0.701 98.9 59.6 -66.0 -19.4 102.6 48.4 108.1 943 975 A N <> - 0 0 15 -3,-1.1 4,-3.0 -4,-0.5 3,-0.3 -0.934 69.0-153.9-119.7 116.6 99.3 48.2 109.9 944 976 A D H > S+ 0 0 121 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.829 96.2 50.8 -50.3 -44.2 97.1 45.1 109.7 945 977 A I H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 114.5 43.1 -65.1 -43.1 93.9 46.9 110.4 946 978 A A H > S+ 0 0 2 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.890 112.4 55.0 -68.5 -39.3 94.6 49.5 107.7 947 979 A K H >< S+ 0 0 99 -4,-3.0 3,-0.6 -7,-0.4 -2,-0.2 0.945 111.8 43.5 -54.2 -52.1 95.8 46.7 105.4 948 980 A A H >< S+ 0 0 80 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.870 115.3 47.7 -63.7 -40.1 92.5 44.8 105.8 949 981 A K H 3< S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.507 119.2 37.9 -86.9 -5.4 90.3 47.9 105.5 950 982 A H T S+ 0 0 62 -3,-0.7 4,-2.8 1,-0.2 5,-0.2 0.872 73.1 59.3 -63.4 -39.1 92.8 46.1 100.3 952 984 A E H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.917 104.3 49.1 -55.6 -49.3 91.5 47.8 97.1 953 985 A V H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 112.6 47.4 -59.9 -44.7 94.1 50.7 97.5 954 986 A I H X S+ 0 0 11 -4,-1.6 4,-3.6 2,-0.2 5,-0.3 0.946 112.0 50.1 -62.7 -49.2 97.0 48.2 97.9 955 987 A Q H X S+ 0 0 143 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.963 115.9 40.7 -52.4 -59.0 95.9 46.1 95.0 956 988 A K H X S+ 0 0 56 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.891 116.8 52.1 -58.5 -39.8 95.6 49.0 92.6 957 989 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.932 108.5 48.1 -62.5 -48.3 98.8 50.5 94.1 958 990 A M H X S+ 0 0 9 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.836 108.5 55.3 -66.1 -34.6 100.8 47.3 93.6 959 991 A T H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.914 106.9 51.9 -58.8 -43.3 99.6 47.0 90.0 960 992 A Y H X S+ 0 0 12 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.937 110.7 45.6 -59.6 -49.9 100.9 50.6 89.4 961 993 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.910 109.3 56.3 -60.6 -44.3 104.4 49.8 90.8 962 994 A S H < S+ 0 0 40 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.886 111.1 44.7 -54.2 -42.3 104.4 46.6 88.8 963 995 A N H < S+ 0 0 112 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.844 117.8 43.1 -69.6 -36.0 103.8 48.7 85.7 964 996 A Q H >X S+ 0 0 38 -4,-2.1 3,-2.3 1,-0.2 4,-0.7 0.599 85.4 99.3 -86.4 -10.7 106.4 51.4 86.5 965 997 A F G >< S+ 0 0 17 -4,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.796 75.4 56.4 -52.2 -44.9 109.1 49.0 87.8 966 998 A G G 34 S+ 0 0 65 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.651 112.4 44.2 -62.8 -17.6 111.2 49.0 84.6 967 999 A S G <4 S+ 0 0 70 -3,-2.3 2,-1.0 -4,-0.1 -1,-0.2 0.465 78.0 113.2-105.3 -6.9 111.5 52.8 84.7 968 1000 A I << + 0 0 6 -3,-1.1 -40,-0.0 -4,-0.7 -41,-0.0 -0.574 30.9 152.5 -69.4 101.5 112.2 53.3 88.5 969 1001 A N + 0 0 119 -2,-1.0 2,-0.6 -42,-0.0 -1,-0.2 0.422 39.7 91.2-111.8 -2.9 115.8 54.6 88.2 970 1002 A N > - 0 0 38 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.882 66.4-146.1-109.0 121.3 115.9 56.6 91.3 971 1003 A A H > S+ 0 0 10 -2,-0.6 4,-2.2 2,-0.2 5,-0.2 0.765 98.2 56.8 -55.8 -33.6 117.2 55.0 94.5 972 1004 A Y H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.998 112.8 39.2 -62.4 -61.7 114.9 57.0 96.7 973 1005 A D H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.902 117.0 51.5 -50.1 -49.6 111.8 55.8 94.9 974 1006 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.861 105.1 55.4 -61.5 -37.9 113.1 52.3 94.5 975 1007 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 -3,-0.3 -1,-0.2 0.903 113.6 41.0 -64.4 -40.8 114.0 52.0 98.2 976 1008 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.942 115.9 49.4 -70.1 -46.9 110.4 52.8 99.2 977 1009 A A H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.923 111.5 50.4 -59.0 -46.5 108.8 50.7 96.4 978 1010 A T H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.919 110.4 48.8 -54.1 -49.4 111.0 47.8 97.3 979 1011 A Y H X S+ 0 0 8 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.898 110.6 50.3 -64.1 -40.0 110.0 48.0 101.0 980 1012 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.961 111.5 49.6 -58.1 -49.2 106.4 48.2 100.1 981 1013 A M H X>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 4,-1.5 0.876 109.5 51.1 -57.9 -42.0 106.9 45.1 97.9 982 1014 A M H ><5S+ 0 0 16 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.960 111.3 47.6 -60.9 -51.0 108.6 43.3 100.8 983 1015 A L H 3<5S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.4 43.4 -55.1 -34.4 105.7 44.1 103.2 984 1016 A N H 3<5S- 0 0 59 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.652 103.8-127.7 -90.3 -17.3 103.2 43.0 100.5 985 1017 A G T <<5 - 0 0 48 -4,-1.5 -3,-0.2 -3,-0.6 2,-0.1 0.878 41.6-178.2 65.2 39.7 105.1 39.8 99.5 986 1018 A H > < - 0 0 24 -5,-2.1 3,-2.5 -6,-0.1 4,-0.3 -0.457 37.7-119.6 -70.8 140.7 104.8 41.0 95.9 987 1019 A T T 3 S+ 0 0 141 1,-0.3 3,-0.3 -2,-0.1 4,-0.3 0.779 113.1 56.5 -51.0 -27.7 106.3 38.6 93.3 988 1020 A M T 3> S+ 0 0 44 1,-0.2 4,-2.9 2,-0.1 -1,-0.3 0.402 76.2 99.3 -87.2 2.8 108.7 41.4 92.2 989 1021 A K H <> S+ 0 0 80 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 0.931 83.0 46.7 -59.0 -51.3 110.2 41.9 95.7 990 1022 A E H > S+ 0 0 155 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.896 116.0 48.1 -55.6 -41.5 113.4 39.8 95.1 991 1023 A E H > S+ 0 0 105 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.906 110.8 50.0 -66.7 -43.2 113.8 41.6 91.8 992 1024 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.896 110.9 48.6 -63.7 -43.6 113.3 45.1 93.3 993 1025 A L H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.855 108.4 53.4 -68.3 -37.2 115.8 44.6 96.1 994 1026 A N H X S+ 0 0 78 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.924 110.1 48.8 -61.9 -44.3 118.4 43.3 93.7 995 1027 A K H X S+ 0 0 50 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.936 111.2 49.6 -58.0 -46.9 118.0 46.4 91.6 996 1028 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.2 0.918 109.4 52.0 -61.4 -42.2 118.3 48.5 94.7 997 1029 A I H >< S+ 0 0 41 -4,-2.7 3,-2.7 1,-0.3 -1,-0.2 0.917 101.8 60.7 -59.1 -44.7 121.4 46.7 95.8 998 1030 A D H 3< S+ 0 0 130 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.739 103.1 52.3 -56.3 -25.6 123.0 47.4 92.3 999 1031 A M T << S+ 0 0 62 -3,-1.0 13,-0.4 -4,-0.9 -1,-0.3 0.455 88.5 115.1 -89.6 -0.6 122.7 51.1 93.0 1000 1032 A S < - 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0 0 0 5,-0.4 2,-1.3 -2,-0.3 9,-0.3 -0.947 22.9-141.1-115.4 127.1 122.8 55.0 98.8 1012 1044 A N + 0 0 111 -2,-0.5 2,-0.2 -13,-0.4 -41,-0.1 -0.561 49.1 131.9 -91.0 73.5 123.9 58.4 97.4 1013 1045 A T S S- 0 0 24 -2,-1.3 4,-0.1 -42,-0.1 -2,-0.0 -0.626 76.9 -95.7-103.2 175.3 120.6 60.3 96.8 1014 1046 A T S S+ 0 0 89 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.720 130.4 40.5 -64.7 -16.8 119.9 63.9 97.9 1015 1047 A N S > S+ 0 0 8 1,-0.1 4,-1.9 2,-0.1 -1,-0.3 -0.583 74.7 162.4-120.2 69.3 118.2 62.2 100.9 1016 1048 A P H > + 0 0 37 0, 0.0 4,-2.2 0, 0.0 -5,-0.4 0.786 68.2 57.3 -66.4 -27.7 120.7 59.4 101.6 1017 1049 A I H > S+ 0 0 18 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.977 109.5 44.3 -66.6 -51.8 119.6 58.7 105.2 1018 1050 A E H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.947 117.0 44.0 -53.7 -55.1 116.0 58.0 104.2 1019 1051 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.906 114.7 48.3 -65.7 -40.2 116.8 55.8 101.2 1020 1052 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 -9,-0.3 -1,-0.2 0.877 112.5 50.6 -63.7 -38.1 119.5 53.9 103.0 1021 1053 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.927 109.7 49.0 -66.0 -44.8 117.1 53.4 106.0 1022 1054 A Y H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.930 110.9 50.9 -60.4 -43.6 114.4 52.1 103.7 1023 1055 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.912 107.3 54.1 -57.5 -43.3 116.9 49.7 102.0 1024 1056 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.888 103.9 54.9 -61.8 -39.3 117.9 48.5 105.5 1025 1057 A L H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.949 109.9 47.1 -57.7 -46.1 114.3 47.6 106.3 1026 1058 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.911 109.0 53.5 -62.7 -42.8 114.2 45.5 103.2 1027 1059 A F H <>S+ 0 0 3 -4,-2.7 5,-2.8 2,-0.2 3,-0.3 0.946 112.5 46.0 -51.6 -49.5 117.5 43.9 104.0 1028 1060 A V H ><5S+ 0 0 8 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.930 110.8 51.3 -60.7 -47.6 115.9 43.0 107.4 1029 1061 A M H 3<5S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 113.1 46.2 -62.2 -27.8 112.7 41.8 105.9 1030 1062 A A T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.262 113.7-120.0 -97.4 7.9 114.8 39.6 103.5 1031 1063 A E T < 5 + 0 0 140 -3,-1.9 2,-1.8 1,-0.2 3,-0.3 0.727 60.6 150.9 60.6 27.7 116.9 38.3 106.5 1032 1064 A K >< + 0 0 68 -5,-2.8 4,-0.8 1,-0.2 -1,-0.2 -0.429 10.9 151.6 -88.0 64.3 120.1 39.7 104.9 1033 1065 A Y H > + 0 0 66 -2,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.871 63.6 49.9 -67.7 -40.8 121.7 40.2 108.2 1034 1066 A T H >4 S+ 0 0 117 -3,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.934 114.9 42.3 -70.8 -42.6 125.4 39.8 107.3 1035 1067 A D H 3> S+ 0 0 96 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.620 107.8 66.8 -74.2 -13.1 125.3 42.2 104.3 1036 1068 A G H 3X S+ 0 0 0 -4,-0.8 4,-2.7 1,-0.2 3,-0.5 0.776 82.7 72.2 -76.7 -29.4 123.2 44.5 106.5 1037 1069 A I H S+ 0 0 27 0, 0.0 -29,-1.8 0, 0.0 4,-1.4 0.882 111.1 49.5 -57.5 -32.5 127.9 47.5 106.5 1039 1071 A V H X S+ 0 0 0 -4,-0.5 4,-2.5 -3,-0.5 -2,-0.2 0.935 112.3 46.4 -68.8 -45.7 124.6 49.4 106.0 1040 1072 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.935 105.1 61.5 -61.7 -45.7 124.1 49.8 109.7 1041 1073 A N H X S+ 0 0 34 -4,-3.5 4,-0.7 -34,-0.2 -1,-0.2 0.876 110.3 41.5 -42.8 -46.9 127.7 50.9 110.1 1042 1074 A W H >< S+ 0 0 21 -4,-1.4 3,-0.7 -33,-0.3 4,-0.3 0.965 116.7 45.7 -68.7 -55.6 126.9 53.9 107.9 1043 1075 A L H >< S+ 0 0 0 -4,-2.5 3,-2.7 1,-0.3 4,-0.4 0.943 107.9 55.6 -55.4 -55.9 123.5 54.8 109.4 1044 1076 A V H >< S+ 0 0 1 -4,-2.8 3,-0.9 1,-0.3 -1,-0.3 0.844 107.5 53.9 -42.8 -34.7 124.6 54.5 113.0 1045 1077 A N T << S+ 0 0 38 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.465 98.6 59.9 -89.3 -2.3 127.3 57.0 112.0 1046 1078 A Q T < S+ 0 0 62 -3,-2.7 -1,-0.2 -4,-0.3 -2,-0.2 0.306 81.5 128.7 -99.7 6.0 125.0 59.7 110.6 1047 1079 A R < - 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