==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-AUG-07 2QUT . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR M.ST-JEAN,J.SYGUSCH . 1413 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48691.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1005 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 1.8 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 82 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 512 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 0 4 0 3 5 4 4 8 4 0 0 0 4 1 3 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 2 10 4 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 PARALLEL BRIDGES PER LADDER . 5 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 1 A P 0 0 54 0, 0.0 2,-0.4 0, 0.0 1262,-0.2 0.000 360.0 360.0 360.0 2.4 -11.2 -3.9 27.0 2 2 A H - 0 0 29 506,-0.1 2,-0.4 1260,-0.1 1257,-0.0 -0.896 360.0-127.7-111.8 137.6 -10.2 -1.3 29.7 3 3 A S - 0 0 44 -2,-0.4 467,-0.1 1,-0.1 466,-0.0 -0.660 19.6-177.4 -87.4 132.8 -7.4 -1.7 32.2 4 4 A H - 0 0 53 465,-0.5 465,-0.1 -2,-0.4 -1,-0.1 -0.710 37.3-125.9-126.7 75.5 -7.9 -1.2 35.9 5 5 A P - 0 0 97 0, 0.0 464,-0.3 0, 0.0 465,-0.1 0.157 21.4-166.5 -26.1 113.3 -4.3 -1.7 37.2 6 6 A A S S+ 0 0 24 462,-0.2 2,-0.3 463,-0.2 463,-0.1 0.832 75.0 29.5 -76.4 -32.9 -4.4 -4.3 39.9 7 7 A L S S- 0 0 15 461,-0.1 -1,-0.1 462,-0.1 172,-0.1 -0.931 75.9-128.6-130.2 151.8 -0.9 -3.3 41.1 8 8 A T > - 0 0 60 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.473 38.3-103.6 -89.0 165.8 1.2 -0.2 41.1 9 9 A P H > S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 124.5 52.4 -57.6 -36.2 4.7 -0.1 39.6 10 10 A E H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.890 108.5 48.6 -66.6 -41.6 6.1 -0.2 43.2 11 11 A Q H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 111.8 51.0 -65.8 -39.2 4.0 -3.2 44.1 12 12 A K H X S+ 0 0 68 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.941 108.1 50.9 -62.6 -48.2 5.2 -5.0 41.0 13 13 A K H X S+ 0 0 128 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.914 109.8 51.2 -57.0 -43.9 8.8 -4.3 41.7 14 14 A E H X S+ 0 0 84 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.962 113.6 43.0 -58.8 -51.6 8.4 -5.7 45.2 15 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.947 116.0 48.0 -60.3 -49.1 6.8 -8.9 43.9 16 16 A S H X S+ 0 0 21 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.925 111.4 50.6 -57.5 -47.1 9.3 -9.3 41.1 17 17 A D H X S+ 0 0 59 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.909 111.5 47.8 -58.6 -44.8 12.2 -8.7 43.4 18 18 A I H X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.947 111.8 50.2 -61.4 -49.0 11.0 -11.3 45.9 19 19 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.916 111.1 48.2 -55.9 -48.4 10.4 -13.9 43.1 20 20 A H H < S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.5 54.6 -63.7 -35.1 13.9 -13.4 41.6 21 21 A R H >< S+ 0 0 125 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.898 104.7 54.2 -66.1 -39.5 15.6 -13.7 45.0 22 22 A I H 3< S+ 0 0 0 -4,-1.9 52,-0.3 1,-0.2 -1,-0.2 0.884 118.3 33.5 -62.3 -40.1 13.9 -17.1 45.7 23 23 A V T 3< S+ 0 0 12 -4,-1.4 -1,-0.2 51,-0.1 -2,-0.2 -0.017 82.4 148.8-108.8 30.9 15.2 -18.6 42.5 24 24 A A X - 0 0 27 -3,-1.1 3,-2.6 1,-0.2 50,-0.1 -0.248 67.2 -61.1 -60.3 152.7 18.5 -16.9 42.1 25 25 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 314,-0.1 -0.018 126.5 7.9 -39.7 125.9 21.2 -19.0 40.3 26 26 A G T 3 S+ 0 0 7 312,-0.3 2,-0.3 1,-0.2 312,-0.1 0.450 106.4 117.1 79.3 1.2 22.0 -22.2 42.3 27 27 A K < + 0 0 57 -3,-2.6 -1,-0.2 311,-0.1 46,-0.2 -0.785 33.7 165.5-107.9 148.2 19.1 -21.6 44.7 28 28 A G E -a 73 0A 0 44,-2.5 46,-2.6 -2,-0.3 47,-1.5 -0.735 34.2 -89.1-139.9-171.0 16.0 -23.7 45.4 29 29 A I E -ab 75 300A 0 270,-3.1 272,-1.8 -2,-0.2 2,-0.8 -0.918 16.6-146.6-117.7 133.8 13.2 -24.0 47.9 30 30 A L E -ab 76 301A 0 45,-2.4 47,-2.6 -2,-0.4 2,-1.1 -0.857 18.0-154.6 -92.5 113.5 13.0 -26.2 51.0 31 31 A A E +a 77 0A 3 270,-2.7 274,-0.1 -2,-0.8 47,-0.1 -0.757 34.7 150.2 -94.1 95.0 9.4 -27.2 51.3 32 32 A A E +a 78 0A 1 45,-1.6 47,-0.6 -2,-1.1 -1,-0.1 -0.087 31.2 118.2-113.1 32.8 8.9 -27.9 55.0 33 33 A D + 0 0 10 45,-0.3 47,-0.1 49,-0.0 45,-0.1 0.036 32.1 147.2 -91.4 27.9 5.2 -26.9 55.0 34 34 A E - 0 0 11 -3,-0.1 45,-0.2 45,-0.1 73,-0.0 -0.413 43.5-131.1 -66.2 134.1 3.7 -30.2 56.1 35 35 A S > - 0 0 40 -2,-0.1 4,-3.3 1,-0.1 5,-0.3 -0.171 30.8 -94.9 -74.4 175.8 0.6 -29.9 58.2 36 36 A T H > S+ 0 0 59 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.956 128.6 44.0 -58.0 -52.3 0.1 -31.8 61.5 37 37 A G H > S+ 0 0 61 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.814 116.6 48.5 -63.1 -31.1 -1.7 -34.6 59.8 38 38 A S H >> S+ 0 0 47 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.910 110.1 47.8 -75.9 -44.8 0.8 -34.6 57.0 39 39 A I H 3X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.654 95.6 85.2 -70.4 -12.2 3.9 -34.6 59.1 40 40 A A H 3X S+ 0 0 12 -4,-1.0 4,-2.6 -5,-0.3 -1,-0.2 0.934 89.7 41.9 -54.1 -56.6 2.2 -37.4 61.0 41 41 A K H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-1.3 0.853 114.3 57.3 -68.1 -35.5 7.2 -39.1 62.3 44 44 A Q H ><5S+ 0 0 120 -4,-2.6 3,-2.3 -5,-0.3 -2,-0.2 0.904 96.6 62.0 -62.1 -41.8 5.3 -42.3 62.5 45 45 A S T 3<5S+ 0 0 70 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.622 113.1 38.2 -61.2 -11.0 7.7 -44.0 60.0 46 46 A I T < 5S- 0 0 35 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.075 116.7-109.7-126.4 22.7 10.3 -43.3 62.7 47 47 A G T < 5 + 0 0 74 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.898 68.3 144.1 50.0 50.9 8.3 -44.0 65.8 48 48 A T < - 0 0 13 -5,-2.2 -1,-0.2 -8,-0.2 -2,-0.1 -0.967 52.8-118.9-124.1 116.8 8.2 -40.4 66.9 49 49 A E - 0 0 150 -2,-0.5 2,-1.8 1,-0.1 5,-0.1 -0.184 26.9-118.6 -51.7 139.6 5.1 -39.1 68.6 50 50 A N + 0 0 47 4,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.542 58.6 146.9 -84.8 75.5 3.5 -36.2 66.7 51 51 A T > - 0 0 39 -2,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.653 61.3-114.4-105.0 164.5 3.8 -33.5 69.3 52 52 A E H > S+ 0 0 113 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.872 115.7 56.0 -65.9 -35.4 4.3 -29.8 68.8 53 53 A E H > S+ 0 0 95 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.942 106.7 46.7 -61.8 -51.5 7.7 -30.1 70.4 54 54 A N H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.875 113.7 50.1 -60.3 -36.8 9.0 -32.8 68.1 55 55 A R H X S+ 0 0 18 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.947 112.4 46.4 -66.1 -46.9 7.8 -30.8 65.1 56 56 A R H X S+ 0 0 35 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.926 114.4 48.2 -59.9 -45.7 9.5 -27.7 66.4 57 57 A F H X S+ 0 0 12 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.929 112.8 47.9 -61.7 -45.4 12.7 -29.6 67.0 58 58 A Y H X S+ 0 0 1 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.946 114.6 45.3 -60.9 -48.8 12.6 -31.3 63.6 59 59 A R H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.901 111.6 53.0 -61.8 -40.9 11.9 -28.0 61.9 60 60 A Q H X S+ 0 0 11 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.929 104.4 57.5 -58.8 -44.4 14.7 -26.3 64.0 61 61 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.3 38.4 -52.4 -46.9 17.0 -29.1 62.9 62 62 A L H >< S+ 0 0 2 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.954 116.5 49.2 -70.8 -52.3 16.5 -28.2 59.2 63 63 A L H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.743 113.2 47.4 -62.1 -25.6 16.3 -24.4 59.5 64 64 A T T 3< S+ 0 0 44 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.252 77.6 136.3-102.3 13.3 19.5 -24.2 61.6 65 65 A A < - 0 0 1 -3,-1.5 5,-0.1 1,-0.1 4,-0.1 -0.198 68.6 -76.4 -55.3 154.6 21.7 -26.5 59.4 66 66 A D > - 0 0 56 1,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.028 50.0 -92.9 -56.0 158.1 25.2 -25.1 58.9 67 67 A D G > S+ 0 0 117 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.490 108.8 88.1 -50.5 -9.3 25.9 -22.2 56.5 68 68 A R G 3 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.775 88.0 52.9 -63.9 -23.1 26.7 -24.6 53.6 69 69 A V G X> S+ 0 0 3 -3,-2.0 4,-2.4 1,-0.2 3,-2.3 0.759 84.7 88.7 -82.0 -26.5 23.0 -24.5 52.8 70 70 A N T <4 S+ 0 0 31 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.847 91.8 40.8 -39.5 -55.9 22.8 -20.8 52.6 71 71 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.609 116.8 53.4 -74.4 -7.3 23.7 -20.4 48.9 72 72 A C T <4 S+ 0 0 3 -3,-2.3 -44,-2.5 1,-0.2 2,-0.8 0.784 99.3 65.5 -92.3 -34.1 21.5 -23.5 48.2 73 73 A I E < +a 28 0A 10 -4,-2.4 -44,-0.2 -46,-0.2 -1,-0.2 -0.815 46.3 166.3-100.9 107.3 18.3 -22.3 49.8 74 74 A G E S+ 0 0 1 -46,-2.6 29,-2.3 -2,-0.8 2,-0.3 0.729 73.2 4.5 -85.4 -25.0 16.6 -19.3 48.3 75 75 A G E -ac 29 103A 0 -47,-1.5 -45,-2.4 27,-0.3 2,-0.4 -0.995 57.6-147.2-157.9 157.5 13.4 -19.8 50.2 76 76 A V E -ac 30 104A 5 27,-2.4 29,-3.2 -2,-0.3 2,-0.6 -0.989 13.7-146.4-132.3 124.1 11.7 -21.9 52.8 77 77 A I E -ac 31 105A 0 -47,-2.6 -45,-1.6 -2,-0.4 2,-0.3 -0.783 23.2-168.8 -91.1 124.7 8.0 -22.8 52.9 78 78 A L E -ac 32 106A 0 27,-2.5 29,-2.5 -2,-0.6 2,-0.3 -0.790 21.8-124.4-114.8 157.3 6.6 -23.1 56.4 79 79 A F >> - 0 0 49 -47,-0.6 4,-1.7 -2,-0.3 3,-0.7 -0.681 41.3-103.1 -90.8 150.4 3.3 -24.4 57.8 80 80 A H H 3> S+ 0 0 86 27,-0.3 4,-0.8 -2,-0.3 3,-0.5 0.864 119.9 53.6 -39.0 -57.3 1.4 -21.8 60.0 81 81 A E H >4 S+ 0 0 34 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.894 109.4 48.6 -47.2 -49.7 2.5 -23.4 63.3 82 82 A T H X4 S+ 0 0 0 -3,-0.7 3,-1.8 1,-0.2 11,-0.3 0.825 98.5 66.7 -64.2 -35.6 6.2 -23.2 62.4 83 83 A L H 3< S+ 0 0 4 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.757 108.4 41.2 -58.3 -24.5 6.0 -19.6 61.2 84 84 A Y T << S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.8 2,-0.2 0.189 96.2 97.1-111.7 16.9 5.3 -18.6 64.9 85 85 A Q < - 0 0 10 -3,-1.8 8,-2.3 -29,-0.0 2,-0.3 -0.641 60.5-139.9-101.3 163.6 7.7 -20.9 66.7 86 86 A K B -I 92 0B 125 6,-0.3 -26,-0.1 -2,-0.2 5,-0.1 -0.886 13.7-116.7-124.0 154.4 11.2 -20.1 67.9 87 87 A A > - 0 0 8 4,-2.9 3,-1.9 -2,-0.3 -30,-0.1 -0.208 46.6 -90.6 -75.8 176.4 14.5 -21.9 68.0 88 88 A D T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.910 127.3 57.8 -56.3 -45.1 16.1 -22.8 71.3 89 89 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.387 122.5-105.9 -68.9 5.5 18.0 -19.5 71.5 90 90 A G S < S+ 0 0 37 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.373 74.1 141.0 87.3 -5.7 14.7 -17.7 71.3 91 91 A R - 0 0 75 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.561 57.7-116.4 -74.6 127.4 15.1 -16.5 67.6 92 92 A P B >> -I 86 0B 47 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.390 24.2-121.3 -61.3 137.3 11.8 -16.7 65.6 93 93 A F H 3> S+ 0 0 0 -8,-2.3 4,-2.7 -11,-0.3 5,-0.2 0.870 113.7 59.7 -48.8 -41.1 12.2 -19.3 62.8 94 94 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.914 106.4 48.7 -55.6 -37.9 11.5 -16.6 60.2 95 95 A Q H <> S+ 0 0 104 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.887 108.9 52.4 -67.3 -39.6 14.5 -14.7 61.6 96 96 A V H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.943 111.0 46.9 -60.6 -48.9 16.7 -17.9 61.4 97 97 A I H ><>S+ 0 0 6 -4,-2.7 5,-2.1 1,-0.2 3,-1.0 0.932 114.0 47.2 -58.8 -48.9 15.7 -18.4 57.8 98 98 A K H ><5S+ 0 0 95 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.818 105.2 58.5 -65.1 -33.5 16.4 -14.8 56.8 99 99 A S H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.671 104.9 53.5 -71.2 -14.2 19.7 -14.6 58.6 100 100 A K T <<5S- 0 0 31 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.289 126.6 -99.5-101.1 7.4 20.8 -17.4 56.4 101 101 A G T < 5S+ 0 0 46 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.547 80.6 127.7 89.0 8.9 19.9 -15.6 53.2 102 102 A G < - 0 0 10 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.3 -0.684 56.7-124.2-103.2 154.8 16.5 -17.2 52.5 103 103 A V E -c 75 0A 9 -29,-2.3 -27,-2.4 -2,-0.3 2,-0.4 -0.704 29.9-121.6 -90.6 143.5 13.1 -15.8 51.9 104 104 A V E -c 76 0A 0 37,-0.5 39,-3.1 -2,-0.3 40,-1.3 -0.745 30.3-171.6 -91.3 130.6 10.3 -16.9 54.2 105 105 A G E -cd 77 144A 0 -29,-3.2 -27,-2.5 -2,-0.4 2,-0.4 -0.853 9.4-155.1-119.6 157.1 7.3 -18.6 52.7 106 106 A I E -cd 78 145A 0 38,-2.1 40,-1.4 -2,-0.3 2,-0.3 -0.987 16.1-133.2-135.6 125.5 3.9 -19.7 54.1 107 107 A K E + d 0 146A 28 -29,-2.5 -27,-0.3 -2,-0.4 40,-0.2 -0.599 27.6 176.2 -72.9 132.6 1.5 -22.4 52.8 108 108 A V + 0 0 0 38,-2.8 39,-0.2 -2,-0.3 -1,-0.1 0.519 38.2 101.7-119.7 -6.0 -2.0 -20.9 52.7 109 109 A D - 0 0 20 37,-0.8 17,-0.3 1,-0.1 3,-0.1 -0.323 61.1-141.2 -75.1 164.6 -4.3 -23.5 51.3 110 110 A K - 0 0 108 15,-3.2 16,-0.2 1,-0.4 -1,-0.1 -0.177 53.3 -87.2-119.3 38.8 -6.6 -25.6 53.6 111 111 A G - 0 0 31 14,-0.2 14,-2.4 37,-0.1 -1,-0.4 0.022 55.4 -57.6 83.4 169.7 -6.4 -28.9 51.8 112 112 A V E -J 124 0C 69 12,-0.2 12,-0.3 -3,-0.1 37,-0.1 -0.487 41.7-162.8 -87.4 156.3 -8.3 -30.6 49.0 113 113 A V E -J 123 0C 29 10,-2.3 10,-2.2 -2,-0.2 2,-0.1 -0.967 30.6 -96.5-134.4 149.5 -12.1 -31.2 48.9 114 114 A P E -J 122 0C 108 0, 0.0 2,-0.8 0, 0.0 8,-0.3 -0.416 24.6-136.2 -72.1 143.2 -14.0 -33.5 46.7 115 115 A L > - 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0 0 103 -3,-2.5 3,-2.2 1,-0.1 -1,-0.2 -0.917 55.1-153.3-111.2 115.8 16.5 -38.5 68.8 317 317 A K G > S+ 0 0 133 -2,-0.6 3,-1.8 1,-0.3 4,-0.2 0.782 94.9 71.4 -53.5 -27.4 18.1 -35.2 69.7 318 318 A E G 3 S+ 0 0 153 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.833 93.2 55.0 -58.2 -34.1 21.4 -37.1 69.9 319 319 A N G <> S+ 0 0 58 -3,-2.2 4,-2.8 -6,-0.4 -1,-0.3 0.108 73.3 116.7 -89.1 22.5 21.3 -37.5 66.1 320 320 A L H <> S+ 0 0 53 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.962 78.7 40.3 -53.2 -61.8 21.0 -33.8 65.4 321 321 A K H > S+ 0 0 145 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.829 115.7 52.2 -59.5 -35.6 24.3 -33.4 63.6 322 322 A A H > S+ 0 0 50 -4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.943 111.7 46.3 -66.6 -47.3 23.8 -36.6 61.7 323 323 A A H >X S+ 0 0 0 -4,-2.8 4,-1.7 -11,-0.2 3,-0.6 0.946 111.8 49.7 -59.6 -52.4 20.4 -35.6 60.5 324 324 A Q H 3X S+ 0 0 19 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.869 104.7 60.0 -56.7 -38.4 21.4 -32.1 59.5 325 325 A E H 3X S+ 0 0 63 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.882 104.0 49.8 -58.3 -40.1 24.4 -33.6 57.5 326 326 A E H <>S+ 0 0 74 -4,-1.8 5,-2.6 1,-0.2 3,-1.5 0.877 111.3 58.4 -70.2 -37.7 24.3 -28.1 41.7 337 337 A A H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 -50,-0.3 0.915 100.2 53.5 -58.7 -47.1 21.4 -29.8 40.0 338 338 A C T 3<5S+ 0 0 13 -4,-2.6 -312,-0.3 1,-0.3 -41,-0.3 0.460 112.6 47.8 -70.7 3.6 19.6 -26.6 39.3 339 339 A Q T < 5S- 0 0 89 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.323 114.9-118.5-117.9 -2.7 22.9 -25.5 37.7 340 340 A G T < 5S+ 0 0 15 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.803 85.8 110.3 67.9 30.7 23.2 -28.7 35.7 341 341 A K < + 0 0 146 -5,-2.6 2,-0.4 -6,-0.1 -4,-0.2 0.012 42.5 118.7-124.1 27.2 26.5 -29.6 37.4 342 342 A Y + 0 0 25 -6,-0.3 -9,-0.0 -5,-0.2 -8,-0.0 -0.773 29.7 172.8-101.7 142.5 25.4 -32.6 39.6 343 343 A T - 0 0 118 -2,-0.4 -62,-0.0 1,-0.1 -6,-0.0 -0.869 18.0-155.8-148.0 106.8 26.8 -36.1 39.4 344 344 A P 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 0.780 360.0 360.0 -51.7 -44.7 25.6 -38.6 42.1 345 345 A S 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.029 360.0 360.0 -94.3 360.0 28.5 -41.2 42.1 346 ! 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 0.0 347 359 A S 0 0 104 0, 0.0 2,-0.4 0, 0.0 -56,-0.0 0.000 360.0 360.0 360.0 157.7 15.5 -30.8 19.8 348 360 A N > - 0 0 77 -98,-0.1 3,-1.1 1,-0.1 0, 0.0 -0.973 360.0-162.4-131.5 119.4 13.3 -33.9 19.4 349 361 A H T 3 S+ 0 0 30 -2,-0.4 722,-0.2 1,-0.3 723,-0.1 0.386 81.3 87.4 -77.7 4.3 10.1 -33.8 17.4 350 362 A A T 3 0 0 53 1,-0.2 -1,-0.3 721,-0.1 719,-0.1 0.426 360.0 360.0 -82.2 1.3 9.1 -37.1 19.1 351 363 A Y < 0 0 39 -3,-1.1 -2,-0.2 717,-0.1 -1,-0.2 0.690 360.0 360.0-113.6 360.0 7.7 -34.9 21.9 352 !* 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 0.0 353 1 B P 0 0 58 0, 0.0 2,-0.4 0, 0.0 555,-0.1 0.000 360.0 360.0 360.0 -2.5 -18.1 -37.3 28.1 354 2 B H - 0 0 39 -198,-0.1 2,-0.3 553,-0.1 505,-0.0 -0.897 360.0-135.7-115.4 141.8 -18.6 -39.7 31.0 355 3 B S + 0 0 44 -2,-0.4 -237,-0.1 -237,-0.0 -238,-0.0 -0.712 19.1 179.3 -99.3 144.8 -20.9 -39.5 34.0 356 4 B H - 0 0 54 -239,-0.4 -239,-0.1 -2,-0.3 -2,-0.0 -0.704 41.2-122.1-140.3 77.9 -20.3 -40.1 37.6 357 5 B P - 0 0 96 0, 0.0 -240,-0.3 0, 0.0 -239,-0.1 0.144 20.2-163.9 -26.7 114.6 -23.6 -39.4 39.3 358 6 B A S S+ 0 0 23 -242,-0.2 2,-0.3 -241,-0.2 -241,-0.1 0.766 77.0 32.1 -76.6 -25.4 -23.1 -36.7 41.9 359 7 B L S S- 0 0 13 -243,-0.1 -1,-0.1 -242,-0.1 172,-0.1 -0.969 75.4-131.5-136.0 148.8 -26.5 -37.7 43.4 360 8 B T > - 0 0 62 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.446 38.8-102.7 -88.5 166.8 -28.6 -40.8 43.9 361 9 B P H > S+ 0 0 54 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.854 124.0 52.9 -59.4 -32.9 -32.3 -40.9 43.0 362 10 B E H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.886 109.3 47.0 -69.0 -41.0 -33.1 -40.7 46.7 363 11 B Q H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.5 50.9 -67.8 -39.9 -30.9 -37.6 47.2 364 12 B K H X S+ 0 0 36 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.947 109.1 50.4 -61.7 -49.2 -32.5 -36.1 44.1 365 13 B K H X S+ 0 0 101 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.925 109.9 51.2 -54.8 -47.0 -36.0 -36.8 45.4 366 14 B E H X S+ 0 0 79 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.939 113.8 43.1 -56.9 -50.0 -35.1 -35.2 48.7 367 15 B L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.922 115.1 48.7 -63.7 -45.8 -33.8 -32.0 47.1 368 16 B S H X S+ 0 0 7 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.931 110.6 51.0 -61.2 -45.8 -36.6 -31.7 44.6 369 17 B D H X S+ 0 0 49 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.923 111.3 49.0 -58.2 -44.1 -39.3 -32.2 47.3 370 18 B I H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.949 110.7 48.5 -60.8 -50.8 -37.7 -29.5 49.4 371 19 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.891 112.0 49.8 -58.1 -41.8 -37.5 -26.9 46.6 372 20 B H H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.4 54.3 -66.8 -36.6 -41.1 -27.5 45.6 373 21 B R H >< S+ 0 0 126 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.914 105.7 53.3 -63.4 -41.7 -42.3 -27.1 49.2 374 22 B I H 3< S+ 0 0 0 -4,-1.9 52,-0.3 1,-0.3 -1,-0.2 0.882 119.2 33.0 -61.4 -40.0 -40.7 -23.7 49.5 375 23 B V T 3< S+ 0 0 11 -4,-1.5 -1,-0.3 51,-0.1 -2,-0.2 0.008 82.6 148.9-108.9 28.8 -42.3 -22.4 46.3 376 24 B A X - 0 0 26 -3,-1.2 3,-2.5 1,-0.2 50,-0.1 -0.209 68.1 -62.6 -55.7 153.9 -45.6 -24.2 46.5 377 25 B P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 314,-0.1 -0.077 126.4 9.9 -43.8 131.3 -48.5 -22.2 45.0 378 26 B G T 3 S+ 0 0 7 312,-0.3 2,-0.3 1,-0.2 312,-0.1 0.448 106.2 118.2 77.1 1.2 -49.1 -18.9 46.9 379 27 B K < + 0 0 57 -3,-2.5 -1,-0.2 311,-0.1 2,-0.2 -0.758 33.6 166.8-107.4 149.2 -45.9 -19.3 48.9 380 28 B G E -k 425 0D 0 44,-2.2 46,-2.7 -2,-0.3 47,-1.6 -0.756 33.2 -92.4-140.1-172.6 -42.8 -17.2 49.2 381 29 B I E -kl 427 652D 0 270,-3.2 272,-1.7 -2,-0.2 2,-0.7 -0.912 16.3-146.1-116.4 137.4 -39.7 -16.8 51.3 382 30 B L E -kl 428 653D 0 45,-2.6 47,-2.4 -2,-0.4 2,-1.0 -0.895 18.0-154.8 -97.2 113.9 -39.1 -14.4 54.2 383 31 B A E +k 429 0D 3 270,-2.8 274,-0.1 -2,-0.7 47,-0.1 -0.791 35.0 149.4 -94.6 97.7 -35.4 -13.4 54.0 384 32 B A E +k 430 0D 0 45,-1.8 47,-0.5 -2,-1.0 -1,-0.1 -0.118 30.0 119.2-117.9 34.3 -34.4 -12.5 57.5 385 33 B D + 0 0 8 45,-0.3 2,-0.2 49,-0.0 47,-0.1 0.041 32.2 150.2 -90.3 26.6 -30.8 -13.5 57.2 386 34 B E - 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0 0 114 -3,-1.9 3,-1.7 1,-0.1 -1,-0.3 -0.839 58.8-143.9-101.9 130.1 6.4 2.7 -15.6 1376 317 D K G > S+ 0 0 166 -2,-0.5 3,-1.7 1,-0.3 4,-0.2 0.808 97.8 66.2 -56.3 -35.2 8.6 -0.2 -16.8 1377 318 D E G 3 S+ 0 0 145 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.700 93.8 60.5 -62.6 -20.3 11.6 2.2 -17.2 1378 319 D N G <> S+ 0 0 51 -3,-1.7 4,-2.5 -6,-0.3 -1,-0.3 0.157 71.8 112.8 -94.0 18.4 11.6 2.6 -13.4 1379 320 D L H <> S+ 0 0 42 -3,-1.7 4,-2.3 2,-0.2 5,-0.2 0.964 79.4 39.4 -52.1 -64.1 12.2 -1.1 -12.8 1380 321 D K H > S+ 0 0 155 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.895 114.9 53.3 -55.1 -47.1 15.7 -0.9 -11.4 1381 322 D A H > S+ 0 0 49 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.901 110.2 47.9 -57.4 -43.6 14.9 2.3 -9.4 1382 323 D A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.931 111.2 49.5 -64.2 -46.8 11.9 0.6 -7.7 1383 324 D Q H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.817 105.5 59.2 -62.6 -31.4 13.9 -2.6 -6.9 1384 325 D E H X S+ 0 0 71 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.896 105.0 48.1 -65.0 -41.9 16.6 -0.5 -5.3 1385 326 D E H X S+ 0 0 36 -4,-1.4 4,-1.7 -3,-0.3 -2,-0.2 0.925 112.3 49.4 -64.7 -44.9 14.3 1.1 -2.8 1386 327 D Y H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 3,-0.3 0.947 109.5 51.6 -58.8 -50.3 12.9 -2.3 -1.9 1387 328 D V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.874 106.5 55.0 -55.1 -40.7 16.4 -3.8 -1.4 1388 329 D K H X S+ 0 0 39 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.886 110.4 44.5 -63.0 -39.0 17.3 -0.9 0.9 1389 330 D R H X S+ 0 0 4 -4,-1.7 4,-3.0 -3,-0.3 5,-0.2 0.882 112.0 52.7 -72.8 -37.3 14.3 -1.6 3.2 1390 331 D A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.905 112.3 45.8 -63.2 -40.6 15.0 -5.3 3.1 1391 332 D L H X S+ 0 0 64 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.901 112.9 50.2 -67.9 -42.1 18.6 -4.7 4.1 1392 333 D A H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.952 114.2 43.5 -61.7 -49.5 17.5 -2.2 6.8 1393 334 D N H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.814 108.0 59.3 -67.6 -30.2 15.0 -4.6 8.3 1394 335 D S H < S+ 0 0 12 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.904 111.6 41.2 -63.8 -40.0 17.4 -7.5 8.0 1395 336 D L H ><>S+ 0 0 74 -4,-1.8 5,-2.8 1,-0.2 3,-1.5 0.862 111.1 59.0 -73.6 -35.9 19.8 -5.6 10.3 1396 337 D A H ><5S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.3 -50,-0.3 0.901 98.6 55.3 -60.3 -44.7 16.8 -4.5 12.4 1397 338 D C T 3<5S+ 0 0 15 -4,-2.5 -312,-0.3 1,-0.3 -41,-0.3 0.407 111.6 48.0 -72.2 7.1 15.8 -8.0 13.3 1398 339 D Q T < 5S- 0 0 77 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.298 114.0-118.0-122.3 -0.3 19.4 -8.4 14.6 1399 340 D G T < 5S+ 0 0 19 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.775 87.6 111.5 66.1 25.8 19.4 -5.2 16.5 1400 341 D K < + 0 0 142 -5,-2.8 2,-0.5 -8,-0.1 -4,-0.2 0.040 39.8 119.3-117.5 24.2 22.2 -3.9 14.3 1401 342 D Y + 0 0 27 -6,-0.4 -9,-0.1 -5,-0.2 -8,-0.0 -0.798 34.4 179.2 -97.7 131.7 20.3 -1.2 12.4 1402 343 D T - 0 0 118 -2,-0.5 -62,-0.0 -59,-0.0 -6,-0.0 -0.947 26.6-128.7-131.7 109.2 21.4 2.4 12.6 1403 344 D P + 0 0 62 0, 0.0 -67,-0.0 0, 0.0 0, 0.0 -0.071 28.8 176.5 -52.6 158.2 19.4 5.0 10.7 1404 345 D S - 0 0 112 2,-0.1 3,-0.0 0, 0.0 0, 0.0 0.490 45.1 -79.7-128.4 -90.0 21.3 7.4 8.4 1405 346 D G S S+ 0 0 79 3,-0.0 3,-0.1 0, 0.0 2,-0.1 0.399 93.3 65.6-174.4 3.6 19.8 10.0 6.2 1406 347 D Q + 0 0 134 1,-0.1 5,-0.1 3,-0.0 -2,-0.1 0.037 36.9 106.4-110.9-138.6 18.4 8.4 2.9 1407 348 D A S > S- 0 0 10 3,-0.1 4,-0.7 -2,-0.1 3,-0.1 0.571 94.3-104.1 71.0 8.3 15.6 6.0 2.1 1408 349 D G T 4 - 0 0 48 1,-0.2 3,-0.3 2,-0.2 -41,-0.1 0.052 34.7 -77.7 65.2 179.8 14.0 9.1 0.8 1409 350 D A T >4 S+ 0 0 75 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.561 123.0 76.3 -89.6 -11.5 11.2 11.0 2.6 1410 351 D A T 34 S+ 0 0 16 1,-0.3 -75,-0.3 2,-0.2 3,-0.2 0.734 91.7 54.1 -69.5 -22.9 8.7 8.4 1.3 1411 352 D A T 3< S+ 0 0 0 -4,-0.7 -75,-2.8 -3,-0.3 -74,-0.5 0.534 105.0 54.5 -87.1 -8.4 10.1 6.1 4.1 1412 353 D S S < S+ 0 0 91 -3,-1.0 2,-0.3 -77,-0.2 -2,-0.2 0.491 88.4 96.2-101.3 -7.6 9.4 8.8 6.7 1413 354 D E S S- 0 0 120 -4,-0.5 -78,-0.4 -3,-0.2 2,-0.2 -0.672 82.4-110.9 -87.9 138.2 5.7 9.2 5.8 1414 355 D S - 0 0 83 -2,-0.3 -81,-0.2 -80,-0.1 -80,-0.1 -0.440 18.2-160.1 -67.8 134.9 3.1 7.3 7.7 1415 356 D L + 0 0 35 -83,-1.7 -82,-0.2 -2,-0.2 -1,-0.1 0.064 39.8 146.9-102.6 22.6 1.4 4.5 5.8 1416 357 D F - 0 0 40 -84,-0.7 2,-0.4 1,-0.0 -84,-0.1 -0.340 27.8-170.5 -63.9 136.7 -1.6 4.4 8.2 1417 358 D I - 0 0 66 -86,-0.1 -165,-0.1 -2,-0.1 -1,-0.0 -0.904 18.5-134.7-134.1 103.7 -5.0 3.6 6.6 1418 359 D S 0 0 87 -2,-0.4 -86,-0.0 1,-0.1 -168,-0.0 -0.173 360.0 360.0 -55.4 147.8 -8.0 4.0 8.8 1419 360 D N 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -169,-0.0 -0.336 360.0 360.0-109.4 360.0 -10.6 1.2 8.7