==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALDOLASE 17-JUL-04 1W3N . COMPND 2 MOLECULE: 2-KETO-3-DEOXY GLUCONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.THEODOSSIS,H.WALDEN,E.J.WESTWICK,H.CONNARIS,H.J.LAMBLE, . 1172 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 875 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 4 0.3 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 . 84 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 466 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 0 4 4 0 0 8 0 6 8 6 0 0 0 0 2 6 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 16 8 4 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 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 4 0 0 0 0 0 4 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 2 A P 0 0 54 0, 0.0 192,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.8 -23.9 56.5 26.8 2 3 A E E -a 193 0A 33 190,-2.1 192,-2.0 32,-0.0 2,-0.5 -0.863 360.0-134.8-129.0 159.5 -24.3 57.3 23.0 3 4 A I E -a 194 0A 1 -2,-0.3 32,-2.4 30,-0.3 33,-0.9 -0.986 26.6-170.7-109.8 119.3 -22.8 56.4 19.7 4 5 A I E -ab 195 36A 0 190,-3.0 192,-1.8 -2,-0.5 33,-0.2 -0.936 13.1-141.2-110.7 136.1 -22.3 59.6 17.6 5 6 A T E - b 0 37A 0 31,-2.4 33,-3.3 -2,-0.4 2,-1.3 -0.873 5.7-147.4-101.0 123.3 -21.3 59.2 13.9 6 7 A P E - b 0 38A 1 0, 0.0 33,-0.2 0, 0.0 194,-0.1 -0.747 42.7-133.0 -80.5 101.5 -18.8 61.7 12.5 7 8 A I - 0 0 3 31,-1.4 33,-0.4 -2,-1.3 34,-0.3 -0.319 7.4-117.4 -74.6 136.3 -20.6 61.4 9.2 8 9 A I - 0 0 0 189,-0.1 36,-0.2 -2,-0.1 -1,-0.1 -0.355 20.9-131.9 -60.9 143.9 -18.7 60.9 5.9 9 10 A T - 0 0 1 34,-0.5 2,-0.4 -2,-0.0 -1,-0.1 -0.916 19.2-148.1 -99.5 111.0 -19.0 63.6 3.2 10 11 A P - 0 0 0 0, 0.0 8,-3.0 0, 0.0 2,-0.4 -0.687 14.2-162.8 -82.0 130.5 -19.9 62.0 -0.1 11 12 A F B -Ij 17 257B 0 247,-1.7 247,-2.8 245,-0.7 6,-0.3 -0.917 14.4-123.6-112.5 146.2 -18.4 63.9 -3.1 12 13 A T > - 0 0 36 4,-3.0 3,-2.0 -2,-0.4 6,-0.1 -0.184 39.7 -92.6 -67.5 170.4 -19.5 63.6 -6.8 13 14 A K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.865 128.2 52.0 -55.2 -41.5 -17.0 62.7 -9.6 14 15 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.007 123.4-100.3 -89.7 28.8 -16.5 66.5 -10.1 15 16 A N S < S+ 0 0 18 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.807 79.5 123.6 69.1 32.3 -15.7 67.3 -6.4 16 17 A R S S- 0 0 175 37,-0.0 -4,-3.0 244,-0.0 2,-0.3 -0.865 72.2 -90.6-112.7 161.2 -18.9 68.7 -5.1 17 18 A I B -I 11 0B 8 -2,-0.3 2,-1.3 -6,-0.3 -6,-0.3 -0.526 32.4-136.6 -67.3 127.5 -20.8 67.4 -2.1 18 19 A D > - 0 0 32 -8,-3.0 4,-1.8 -2,-0.3 5,-0.2 -0.707 24.8-175.6 -85.3 91.9 -23.4 64.7 -3.2 19 20 A K H > S+ 0 0 102 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.865 76.6 50.3 -63.1 -34.7 -26.2 66.0 -1.0 20 21 A E H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 110.6 49.5 -74.8 -38.2 -28.7 63.2 -1.9 21 22 A K H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 109.4 52.3 -63.6 -37.6 -26.2 60.6 -1.1 22 23 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.880 107.8 52.0 -66.0 -40.2 -25.4 62.3 2.2 23 24 A K H X S+ 0 0 44 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.890 108.6 50.8 -63.2 -40.0 -29.2 62.3 3.1 24 25 A I H X S+ 0 0 89 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.939 113.0 45.4 -62.6 -51.4 -29.4 58.5 2.4 25 26 A H H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.969 113.8 49.3 -54.3 -51.9 -26.4 57.8 4.6 26 27 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.919 110.8 49.9 -57.2 -45.1 -27.7 60.1 7.4 27 28 A E H X S+ 0 0 84 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.916 110.3 49.6 -63.6 -45.9 -31.2 58.5 7.4 28 29 A N H X S+ 0 0 30 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.876 109.2 52.8 -57.6 -42.1 -29.8 55.0 7.5 29 30 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.5 0.962 111.7 45.3 -59.1 -48.9 -27.5 55.9 10.5 30 31 A I H ><5S+ 0 0 49 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.931 112.7 50.8 -64.5 -43.5 -30.4 57.3 12.5 31 32 A R H 3<5S+ 0 0 195 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.778 105.5 56.9 -67.6 -20.6 -32.6 54.4 11.7 32 33 A K T <<5S- 0 0 78 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.314 128.0 -92.3 -96.5 10.4 -30.0 52.0 12.8 33 34 A G T < 5S+ 0 0 31 -3,-1.8 -30,-0.3 1,-0.3 2,-0.2 0.519 70.5 151.0 103.4 5.8 -29.8 53.5 16.3 34 35 A I < - 0 0 7 -5,-2.1 -1,-0.3 1,-0.1 -30,-0.2 -0.531 36.6-148.3 -68.7 139.0 -27.0 56.2 16.0 35 36 A D - 0 0 45 -32,-2.4 2,-0.3 1,-0.2 -31,-0.2 0.880 65.6 -6.2 -79.2 -45.1 -27.8 58.9 18.5 36 37 A K E -b 4 0A 33 -33,-0.9 -31,-2.4 -7,-0.0 2,-0.5 -0.964 61.8-124.6-144.4 171.0 -26.4 62.0 16.8 37 38 A L E -bc 5 68A 0 30,-2.5 32,-2.9 -2,-0.3 2,-0.8 -0.948 12.6-149.4-123.5 127.5 -24.4 63.0 13.8 38 39 A F E > -bc 6 69A 6 -33,-3.3 -31,-1.4 -2,-0.5 3,-0.6 -0.908 24.7-155.6 -98.9 109.2 -21.2 65.0 14.1 39 40 A V E 3 + c 0 70A 0 30,-2.8 32,-2.6 -2,-0.8 -31,-0.1 -0.769 65.1 12.0-100.4 136.5 -21.1 66.9 10.8 40 41 A N T 3 S+ 0 0 1 -33,-0.4 -1,-0.2 -2,-0.4 9,-0.1 0.804 89.0 141.1 67.8 34.4 -17.8 68.3 9.2 41 42 A G S < >S- 0 0 0 -3,-0.6 5,-3.2 -34,-0.3 -1,-0.1 -0.065 73.3 -80.1 -84.5-170.5 -15.5 66.3 11.5 42 43 A T T > 5S+ 0 0 9 1,-0.2 3,-2.4 3,-0.2 943,-0.0 0.936 133.5 51.5 -61.5 -46.7 -12.3 64.7 10.4 43 44 A T T 3 5S+ 0 0 11 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.784 109.9 51.8 -62.2 -28.3 -14.1 61.7 8.9 44 45 A G T 3 5S- 0 0 0 -36,-0.2 -1,-0.3 -6,-0.1 -2,-0.2 0.302 116.1-118.9 -85.5 1.2 -16.3 64.2 7.1 45 46 A L T X 5 + 0 0 0 -3,-2.4 3,-1.8 2,-0.1 4,-0.4 0.813 50.8 167.8 57.0 36.8 -13.1 65.9 5.8 46 47 A G G > - 0 0 44 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.284 37.9-100.5 -68.9 167.1 -14.9 75.7 2.5 51 52 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.901 126.1 54.8 -56.9 -38.5 -17.3 77.4 5.0 52 53 A E H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.896 108.7 47.5 -61.8 -41.5 -20.1 77.4 2.4 53 54 A E H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.902 107.8 55.6 -67.1 -39.7 -19.6 73.6 2.0 54 55 A K H X S+ 0 0 11 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.926 110.5 46.0 -56.4 -44.8 -19.6 73.2 5.8 55 56 A L H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.904 109.0 55.4 -61.1 -40.7 -23.0 75.0 5.7 56 57 A E H X S+ 0 0 55 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.882 106.2 51.8 -59.4 -44.8 -24.3 72.8 2.8 57 58 A N H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.892 109.5 49.0 -59.3 -41.9 -23.5 69.7 4.8 58 59 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.965 111.8 49.3 -66.3 -45.1 -25.5 71.0 7.7 59 60 A K H X S+ 0 0 117 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.909 112.0 47.9 -61.7 -42.9 -28.5 71.9 5.5 60 61 A A H >X S+ 0 0 5 -4,-2.6 3,-0.6 2,-0.2 4,-0.6 0.915 116.2 41.9 -61.3 -46.3 -28.5 68.4 3.8 61 62 A V H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-1.2 0.875 107.5 62.1 -74.7 -34.2 -28.3 66.4 7.1 62 63 A Y H 3< S+ 0 0 75 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.756 93.3 63.7 -60.9 -23.8 -30.8 68.7 8.7 63 64 A D H << S+ 0 0 118 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.805 113.1 36.8 -68.2 -27.5 -33.4 67.6 6.1 64 65 A V H << S- 0 0 48 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.885 131.6 -9.1 -90.7 -44.3 -33.0 64.2 7.6 65 66 A T < - 0 0 16 -4,-2.6 -1,-0.3 1,-0.0 -38,-0.0 -0.992 38.4-144.3-152.9 150.8 -32.5 64.9 11.4 66 67 A N S S+ 0 0 67 -2,-0.3 2,-2.5 -3,-0.1 27,-0.5 0.339 76.1 105.6 -94.6 5.8 -32.0 67.7 13.9 67 68 A K + 0 0 98 25,-0.2 -30,-2.5 26,-0.1 2,-0.4 -0.450 58.7 137.7 -79.4 66.7 -29.8 65.4 16.0 68 69 A I E -c 37 0A 0 -2,-2.5 25,-1.5 -32,-0.2 26,-1.5 -0.944 50.2-162.7-127.1 136.4 -26.7 67.2 14.8 69 70 A I E -cd 38 94A 4 -32,-2.9 -30,-2.8 -2,-0.4 2,-0.6 -0.983 27.6-150.2-108.2 124.4 -23.5 68.6 16.2 70 71 A F E -cd 39 95A 0 24,-2.6 26,-2.1 -2,-0.5 2,-0.4 -0.836 1.8-150.9-108.0 114.6 -22.2 71.1 13.6 71 72 A Q E + d 0 96A 0 -32,-2.6 26,-0.2 -2,-0.6 24,-0.0 -0.713 25.3 163.2 -90.4 129.9 -18.4 71.5 13.4 72 73 A V + 0 0 2 24,-2.7 11,-0.2 -2,-0.4 25,-0.2 0.366 24.2 129.3-129.6 0.2 -17.5 75.1 12.2 73 74 A G + 0 0 2 23,-0.5 2,-0.3 10,-0.1 26,-0.1 -0.071 21.5 131.3 -67.8 164.2 -13.8 75.6 13.1 74 75 A G - 0 0 11 24,-0.2 6,-0.1 1,-0.0 856,-0.1 -0.984 65.6 -79.0 172.4-176.8 -11.0 76.8 10.8 75 76 A L S S+ 0 0 9 -2,-0.3 2,-0.6 854,-0.2 1070,-0.2 0.355 109.6 69.4 -93.5 4.6 -8.1 79.1 10.3 76 77 A N > - 0 0 24 1,-0.1 4,-1.5 1068,-0.1 3,-0.5 -0.908 64.7-167.7-120.4 102.3 -10.3 82.1 9.5 77 78 A L H > S+ 0 0 8 1066,-2.3 4,-2.3 -2,-0.6 5,-0.2 0.846 85.2 61.1 -62.4 -34.7 -12.0 83.1 12.7 78 79 A D H > S+ 0 0 79 1065,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.922 106.3 49.1 -54.4 -44.4 -14.4 85.5 10.8 79 80 A D H > S+ 0 0 39 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.889 110.8 47.4 -61.3 -41.2 -15.7 82.4 8.9 80 81 A A H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.859 112.1 50.2 -70.0 -38.6 -16.2 80.2 11.9 81 82 A I H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 110.3 51.6 -60.3 -47.9 -18.1 83.0 13.8 82 83 A R H X S+ 0 0 101 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.929 111.9 46.1 -54.1 -46.6 -20.2 83.4 10.6 83 84 A L H X S+ 0 0 4 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.899 110.3 53.5 -63.1 -40.3 -21.0 79.7 10.6 84 85 A A H >< S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.937 112.8 43.7 -59.4 -46.1 -21.7 79.7 14.3 85 86 A K H >< S+ 0 0 117 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.935 108.1 57.6 -64.7 -49.8 -24.3 82.6 13.9 86 87 A L H >< S+ 0 0 65 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.692 92.9 70.6 -53.9 -22.3 -25.9 81.0 10.8 87 88 A S G X< S+ 0 0 0 -4,-1.0 3,-1.8 -3,-0.6 5,-0.3 0.558 72.3 92.2 -75.2 -8.2 -26.7 77.9 12.9 88 89 A K G < S+ 0 0 129 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.825 80.5 54.8 -56.1 -32.0 -29.3 79.8 14.8 89 90 A D G < S+ 0 0 113 -3,-0.9 2,-0.5 -4,-0.2 -1,-0.3 0.201 94.4 80.4 -91.4 20.7 -32.1 78.8 12.5 90 91 A F S < S- 0 0 24 -3,-1.8 2,-2.0 2,-0.0 -24,-0.0 -0.997 75.8-142.0-123.6 123.2 -31.4 75.1 12.9 91 92 A D + 0 0 111 -2,-0.5 -23,-0.1 -29,-0.1 2,-0.1 -0.527 51.1 150.6 -82.9 70.3 -32.8 73.5 16.0 92 93 A I - 0 0 14 -2,-2.0 -25,-0.2 -5,-0.3 -23,-0.1 -0.343 59.8-107.8 -99.8 178.6 -29.7 71.3 16.5 93 94 A V S S- 0 0 29 -25,-1.5 2,-0.3 -27,-0.5 -24,-0.2 0.886 80.7 -57.6 -70.9 -40.2 -27.8 69.7 19.4 94 95 A G E -d 69 0A 0 -26,-1.5 -24,-2.6 30,-0.1 -1,-0.3 -0.980 43.4-102.2 175.7 171.7 -24.8 72.1 19.3 95 96 A I E -de 70 126A 0 30,-2.4 32,-2.2 -2,-0.3 2,-0.3 -0.744 36.0-166.8-109.7 170.3 -21.9 73.5 17.3 96 97 A A E -de 71 127A 1 -26,-2.1 -24,-2.7 -2,-0.3 -23,-0.5 -0.976 10.2-163.6-150.9 158.2 -18.2 72.3 17.7 97 98 A S E - e 0 128A 0 30,-1.5 32,-2.4 -2,-0.3 2,-0.2 -0.970 13.9-142.8-144.9 139.0 -14.6 73.3 16.8 98 99 A Y E - e 0 129A 0 -2,-0.3 -24,-0.2 30,-0.2 32,-0.2 -0.488 50.3 -85.0 -69.8 163.0 -11.3 71.6 16.8 99 100 A A - 0 0 1 30,-0.6 -1,-0.2 -2,-0.2 2,-0.2 -0.290 59.0 -80.2 -61.9 153.3 -8.4 73.8 17.8 100 101 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.449 64.0-151.6 -55.8 127.3 -6.8 76.0 15.1 101 102 A Y + 0 0 15 -2,-0.2 2,-2.2 -3,-0.1 34,-0.2 -0.325 56.2 33.3-103.2-174.8 -4.5 73.5 13.3 102 103 A Y S S+ 0 0 6 32,-0.5 916,-0.1 914,-0.2 -1,-0.1 -0.412 88.8 93.9 68.7 -66.2 -1.3 73.6 11.3 103 104 A Y > - 0 0 1 -2,-2.2 3,-0.5 1,-0.1 2,-0.1 -0.417 69.8-143.3 -65.6 118.3 0.5 76.4 13.2 104 105 A P T 3 S+ 0 0 27 0, 0.0 33,-0.1 0, 0.0 912,-0.1 -0.415 71.3 20.2 -74.4 155.2 2.8 74.9 16.0 105 106 A R T 3 S+ 0 0 222 31,-0.4 2,-0.3 1,-0.2 1017,-0.1 0.770 70.2 168.7 68.0 28.3 3.3 76.5 19.4 106 107 A M < - 0 0 23 -3,-0.5 -1,-0.2 -6,-0.1 1015,-0.1 -0.587 41.1-104.4 -70.6 140.8 0.2 78.8 19.5 107 108 A S > - 0 0 35 -2,-0.3 4,-2.1 1013,-0.2 5,-0.2 -0.195 12.8-120.1 -71.8 156.1 -0.1 80.1 23.1 108 109 A E H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 116.2 56.8 -51.3 -45.4 -2.6 78.9 25.7 109 110 A K H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 109.0 44.0 -52.4 -53.9 -3.8 82.5 25.8 110 111 A H H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.848 113.5 49.3 -63.4 -38.0 -4.6 82.6 22.0 111 112 A L H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.929 111.5 50.9 -68.6 -43.1 -6.2 79.1 21.9 112 113 A V H X S+ 0 0 9 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.951 110.3 49.2 -60.0 -47.3 -8.3 80.2 24.9 113 114 A K H X S+ 0 0 103 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.910 107.5 55.1 -58.4 -44.0 -9.4 83.3 23.1 114 115 A Y H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.964 113.4 40.0 -55.3 -50.2 -10.3 81.4 19.9 115 116 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.874 112.7 54.2 -72.8 -37.6 -12.7 79.1 21.7 116 117 A K H X S+ 0 0 92 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.899 106.4 55.7 -62.4 -37.3 -14.2 81.9 24.0 117 118 A T H X S+ 0 0 23 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.909 106.5 47.9 -57.7 -44.1 -15.0 83.9 20.9 118 119 A L H X S+ 0 0 1 -4,-1.4 4,-0.7 1,-0.2 3,-0.4 0.902 111.9 50.3 -65.4 -41.3 -17.0 81.0 19.4 119 120 A a H < S+ 0 0 29 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.837 105.2 57.9 -65.4 -33.2 -18.9 80.6 22.6 120 121 A E H < S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.776 116.2 34.2 -64.5 -33.4 -19.7 84.3 22.7 121 122 A V H < S+ 0 0 38 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.366 91.8 115.7-101.7 -0.4 -21.4 84.2 19.4 122 123 A S < - 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0 0 5 -5,-1.7 -1,-0.3 -6,-0.2 -15,-0.1 -0.404 60.4-115.6 -86.5 169.2 24.0 74.1 1.4 1074 193 D D - 0 0 45 -17,-2.5 -190,-2.2 1,-0.2 2,-0.3 0.539 61.8 -85.1 -92.3 -4.3 22.0 76.5 -0.9 1075 194 D G E -el 8841058G 0 -18,-0.5 -16,-2.4 -192,-0.3 2,-0.4 -0.936 43.2 -69.4 140.8-160.6 20.7 79.0 1.6 1076 195 D N E -el 8851059G 2 -192,-2.0 -190,-3.0 -2,-0.3 2,-0.9 -0.998 11.2-149.5-143.7 132.8 17.9 79.8 4.1 1077 196 D V E -e 886 0G 3 -18,-2.4 2,-0.6 -2,-0.4 -190,-0.2 -0.908 41.0-171.0-100.6 97.9 14.2 80.7 3.8 1078 197 D A > - 0 0 0 -192,-2.0 3,-1.9 -2,-0.9 4,-0.3 -0.858 30.5-161.7-113.9 109.3 14.4 82.8 7.0 1079 198 D A G > S+ 0 0 23 -2,-0.6 3,-2.1 -19,-0.4 4,-0.3 0.886 94.6 61.3 -54.5 -41.2 11.3 84.2 8.7 1080 199 D G G >> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.7 0.650 84.5 76.0 -60.4 -18.0 13.6 86.7 10.6 1081 200 D S G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.718 82.2 71.4 -71.1 -16.2 14.7 88.2 7.3 1082 201 D N G <4 S+ 0 0 0 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.910 115.4 19.6 -54.2 -48.1 11.3 89.9 7.2 1083 202 D Y T <4 S+ 0 0 1 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.1 0.626 139.0 30.8-104.0 -23.8 12.4 92.2 10.1 1084 203 D L X + 0 0 0 -4,-2.7 4,-2.0 1,-0.1 3,-0.4 -0.313 62.0 149.2-130.4 60.5 16.2 92.0 10.0 1085 204 D P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.858 75.5 59.6 -55.9 -35.0 17.1 91.4 6.3 1086 205 D E H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 106.0 46.8 -56.6 -48.7 20.4 93.3 6.9 1087 206 D V H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.957 112.7 48.1 -61.0 -49.5 21.5 90.8 9.6 1088 207 D T H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.917 113.5 46.8 -67.4 -42.0 20.6 87.7 7.6 1089 208 D V H X S+ 0 0 31 -4,-2.8 4,-2.6 2,-0.2 -1,-0.3 0.895 113.2 49.2 -60.0 -40.0 22.4 89.0 4.5 1090 209 D T H X S+ 0 0 29 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.907 108.2 53.9 -72.3 -35.4 25.5 90.0 6.5 1091 210 D I H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.963 111.6 45.1 -57.4 -51.9 25.6 86.6 8.3 1092 211 D K H X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.923 111.9 52.4 -62.0 -45.1 25.6 84.8 5.0 1093 212 D K H X S+ 0 0 96 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.949 110.3 47.3 -51.7 -54.3 28.2 87.2 3.5 1094 213 D L H <>S+ 0 0 15 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.867 111.4 50.8 -59.9 -39.7 30.7 86.7 6.5 1095 214 D A H ><5S+ 0 0 2 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.890 108.9 51.3 -64.9 -41.8 30.3 82.9 6.3 1096 215 D M H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.931 107.1 53.4 -59.6 -42.0 31.0 82.9 2.6 1097 216 D E T 3<5S- 0 0 98 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.567 118.6-117.6 -70.8 -5.2 34.2 85.0 3.3 1098 217 D R T < 5S+ 0 0 82 -3,-1.1 2,-1.5 -4,-0.3 3,-0.2 0.743 71.6 140.2 67.3 25.6 35.1 82.2 5.8 1099 218 D K >< + 0 0 93 -5,-2.8 4,-3.0 1,-0.2 5,-0.2 -0.566 21.7 162.8 -84.9 68.8 35.0 84.7 8.6 1100 219 D I H > + 0 0 16 -2,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.901 65.6 49.6 -69.1 -39.0 33.3 82.0 10.6 1101 220 D D H > S+ 0 0 127 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.864 115.4 45.2 -64.9 -34.9 33.9 83.4 14.1 1102 221 D E H > S+ 0 0 113 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.874 112.0 51.8 -73.1 -43.8 32.4 86.8 13.0 1103 222 D A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.944 111.6 47.8 -55.5 -48.2 29.5 85.1 11.2 1104 223 D L H X S+ 0 0 10 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.867 106.9 55.9 -62.5 -40.4 28.7 83.1 14.4 1105 224 D K H X S+ 0 0 112 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.909 115.0 39.1 -57.9 -42.0 28.9 86.3 16.6 1106 225 D L H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.906 113.8 54.1 -78.8 -36.2 26.3 87.9 14.4 1107 226 D Q H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.932 106.9 53.5 -60.1 -39.7 24.3 84.7 14.0 1108 227 D F H X S+ 0 0 29 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.828 108.2 48.6 -70.5 -30.4 24.2 84.3 17.8 1109 228 D L H X S+ 0 0 17 -4,-1.1 4,-1.4 -3,-0.2 -1,-0.2 0.883 111.2 50.1 -70.8 -41.8 22.7 87.9 18.2 1110 229 D H H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.921 105.1 58.7 -60.1 -38.9 20.2 87.2 15.5 1111 230 D D H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.859 101.3 55.4 -57.0 -38.8 19.3 83.9 17.5 1112 231 D E H X S+ 0 0 70 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.905 107.2 48.5 -64.9 -37.2 18.5 86.1 20.5 1113 232 D V H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.3 -2,-0.2 0.923 110.8 51.4 -65.8 -41.7 15.9 88.1 18.4 1114 233 D I H X S+ 0 0 9 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.912 111.5 47.9 -56.9 -44.7 14.4 84.8 17.1 1115 234 D E H X S+ 0 0 78 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.900 110.0 50.6 -68.7 -42.8 14.1 83.6 20.7 1116 235 D A H >X S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.920 107.3 55.9 -57.9 -45.7 12.5 86.9 21.9 1117 236 D S H 3< S+ 0 0 3 -4,-2.9 4,-0.4 1,-0.2 3,-0.4 0.792 102.0 57.4 -56.8 -27.4 10.0 86.6 19.0 1118 237 D R H 3< S+ 0 0 134 -4,-1.1 3,-0.4 -3,-0.5 -1,-0.2 0.736 85.6 80.8 -78.1 -20.5 8.9 83.2 20.2 1119 238 D I H << S+ 0 0 86 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.1 0.876 109.6 20.9 -52.8 -44.8 7.8 84.3 23.7 1120 239 D F S < S- 0 0 35 -4,-0.5 -1,-0.3 -3,-0.4 -1013,-0.2 0.405 138.3 -64.9-106.8 5.0 4.5 85.6 22.7 1121 240 D G > - 0 0 16 -3,-0.4 4,-2.6 -4,-0.4 3,-0.5 0.432 41.3-130.5 112.7 110.8 4.2 83.7 19.4 1122 241 D S H > S+ 0 0 43 -4,-0.2 4,-2.4 1,-0.2 5,-0.1 0.814 102.8 58.8 -61.7 -37.1 6.5 84.2 16.5 1123 242 D L H 4 S+ 0 0 23 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.890 115.8 36.3 -63.3 -37.8 3.9 84.6 13.8 1124 243 D S H >> S+ 0 0 4 -3,-0.5 3,-1.3 1,-0.2 4,-1.0 0.895 115.3 55.8 -75.0 -46.8 2.3 87.6 15.7 1125 244 D S H 3X S+ 0 0 0 -4,-2.6 4,-3.3 -8,-0.4 5,-0.3 0.785 93.0 69.8 -60.8 -32.8 5.7 88.9 16.9 1126 245 D N H 3X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.823 97.7 51.4 -53.4 -37.4 7.0 89.1 13.4 1127 246 D Y H <> S+ 0 0 13 -3,-1.3 4,-2.1 -4,-0.4 -1,-0.2 0.952 111.8 46.4 -64.2 -50.3 4.6 92.0 12.7 1128 247 D V H X S+ 0 0 17 -4,-1.0 4,-2.7 1,-0.2 -2,-0.2 0.937 113.5 48.2 -58.7 -48.5 5.8 93.9 15.7 1129 248 D L H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.4 0.837 107.7 55.4 -65.0 -30.7 9.5 93.3 15.0 1130 249 D T H X>S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 5,-0.6 0.938 111.2 44.4 -68.7 -41.0 9.1 94.4 11.4 1131 250 D K H X5S+ 0 0 120 -4,-2.1 4,-2.1 3,-0.2 -2,-0.2 0.959 115.7 48.8 -59.2 -51.7 7.7 97.7 12.6 1132 251 D Y H <5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.952 123.5 27.9 -56.6 -55.3 10.4 98.1 15.2 1133 252 D F H <5S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 42,-0.2 0.797 132.1 32.1 -80.2 -34.0 13.4 97.3 13.0 1134 253 D Q H <5S- 0 0 23 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.622 95.2-132.9-103.6 -15.4 12.2 98.5 9.6 1135 254 D G S < - 0 0 3 4,-0.1 3,-2.2 -2,-0.1 4,-0.1 -0.939 56.9 -86.7-106.5 116.8 -5.4 87.0 10.7 1143 262 D P T 3 S+ 0 0 35 0, 0.0 -1066,-2.3 0, 0.0 -1065,-0.3 -0.294 116.6 47.3 -51.3 138.3 -7.1 85.6 13.8 1144 263 D P T 3 S+ 0 0 1 0, 0.0 2,-1.1 0, 0.0 -1030,-0.1 -0.949 111.3 67.3 -80.4 15.8 -6.7 83.0 15.4 1145 264 D I S < S- 0 0 8 -3,-2.2 -24,-0.0 -1070,-0.2 -1039,-0.0 -0.849 89.6-163.6 -85.8 99.3 -3.2 84.3 14.9 1146 265 D F - 0 0 10 -2,-1.1 -4,-0.1 1,-0.1 -22,-0.1 -0.587 17.9-106.3 -90.3 150.1 -4.0 87.3 17.2 1147 266 D P - 0 0 60 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.324 40.8 -98.5 -68.7 153.6 -1.9 90.5 17.4 1148 267 D L - 0 0 9 -24,-0.3 2,-0.1 1,-0.1 -27,-0.0 -0.492 41.9-127.6 -64.6 141.4 0.4 91.1 20.4 1149 268 D D > - 0 0 68 -2,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.369 31.1 -91.6 -83.0 173.0 -1.4 93.4 23.0 1150 269 D D H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 126.5 50.9 -53.7 -44.8 0.3 96.4 24.4 1151 270 D E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 112.0 48.0 -62.8 -43.9 1.8 94.6 27.4 1152 271 D E H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.2 51.1 -61.0 -47.0 3.3 91.9 25.1 1153 272 D E H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.924 109.1 50.8 -53.2 -48.9 4.7 94.5 22.7 1154 273 D R H X S+ 0 0 135 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.911 112.1 47.1 -57.6 -47.2 6.4 96.4 25.5 1155 274 D Q H X S+ 0 0 88 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.908 111.7 50.7 -65.0 -36.3 8.0 93.2 26.9 1156 275 D L H X S+ 0 0 1 -4,-2.4 4,-1.0 2,-0.2 3,-0.2 0.923 110.3 49.1 -64.2 -47.1 9.2 92.1 23.4 1157 276 D I H >X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 3,-1.0 0.926 107.1 54.3 -60.4 -47.2 10.8 95.5 22.7 1158 277 D K H 3< S+ 0 0 141 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.837 107.1 53.8 -56.0 -33.2 12.6 95.5 26.1 1159 278 D K H 3< S+ 0 0 135 -4,-1.4 4,-0.3 -3,-0.2 -1,-0.2 0.787 121.7 28.1 -70.2 -24.4 14.0 92.0 25.0 1160 279 D V H S+ 0 0 42 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.950 110.8 47.7 -69.7 -46.5 19.7 96.2 23.5 1163 282 D I H > S+ 0 0 10 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.939 110.1 53.0 -55.6 -47.1 20.3 93.9 20.5 1164 283 D R H X S+ 0 0 57 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.942 107.8 50.8 -55.8 -48.0 19.1 96.8 18.3 1165 284 D A H X S+ 0 0 60 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.931 109.6 50.4 -48.5 -50.7 21.7 99.1 20.0 1166 285 D K H X S+ 0 0 113 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.872 109.7 51.3 -58.2 -39.3 24.5 96.5 19.3 1167 286 D L H <>S+ 0 0 2 -4,-2.2 5,-2.5 2,-0.2 6,-1.2 0.834 110.3 47.0 -70.0 -38.9 23.5 96.3 15.7 1168 287 D V H ><5S+ 0 0 54 -4,-2.0 3,-1.6 3,-0.2 -1,-0.2 0.917 111.4 52.7 -63.9 -43.5 23.5 100.1 15.2 1169 288 D E H 3<5S+ 0 0 154 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.927 109.7 48.6 -57.0 -44.9 27.0 100.1 16.9 1170 289 D L T 3<5S- 0 0 58 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.471 114.4-122.6 -74.0 -3.0 28.1 97.5 14.4 1171 290 D K T < 5S+ 0 0 166 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.679 81.8 118.2 66.2 20.3 26.7 99.6 11.6 1172 291 D I S