==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CLASS II ALDOLASE 05-JAN-00 1DXF . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXY-GALACTARATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.IZARD,N.C.BLACKWELL . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 44 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 0 5 1 6 0 4 4 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 6 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 4 A D 0 0 144 0, 0.0 131,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-138.7 51.7 63.8 19.3 2 5 A V + 0 0 37 131,-0.1 130,-0.0 1,-0.1 125,-0.0 0.744 360.0 96.5 -89.0 -32.3 52.1 60.7 21.4 3 6 A F + 0 0 18 2,-0.1 2,-0.1 130,-0.1 130,-0.1 -0.836 54.6 46.5-113.3 149.4 50.8 62.6 24.3 4 7 A P S S- 0 0 95 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.502 83.9-128.2 -79.1 151.1 48.3 63.0 25.8 5 8 A N > - 0 0 18 1,-0.2 4,-1.4 -2,-0.1 5,-0.1 -0.493 23.8-170.4 -65.0 98.8 47.3 59.3 26.0 6 9 A K H > S+ 0 0 173 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.857 83.5 55.2 -62.1 -35.7 43.7 59.5 24.6 7 10 A F H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 105.2 51.8 -62.9 -46.2 43.0 55.9 25.5 8 11 A K H > S+ 0 0 34 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.835 111.2 49.8 -59.0 -31.9 44.0 56.6 29.1 9 12 A A H X S+ 0 0 56 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.873 105.3 54.2 -75.2 -40.3 41.6 59.5 29.0 10 13 A A H <>S+ 0 0 7 -4,-2.3 5,-2.8 1,-0.2 -2,-0.2 0.914 109.0 50.5 -60.2 -41.7 38.6 57.5 27.6 11 14 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.898 108.4 52.2 -62.1 -41.5 39.0 55.1 30.4 12 15 A A H 3<5S+ 0 0 63 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.909 108.7 48.3 -61.5 -45.1 39.0 57.9 33.0 13 16 A A T 3<5S- 0 0 67 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.218 114.9-125.5 -79.7 15.5 35.8 59.3 31.6 14 17 A K T < 5 + 0 0 101 -3,-1.4 -3,-0.2 -5,-0.1 2,-0.1 0.800 49.8 166.5 40.8 43.8 34.6 55.7 31.8 15 18 A Q < - 0 0 103 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.1 -0.476 47.4 -92.3 -80.3 157.6 33.6 55.6 28.1 16 19 A V - 0 0 78 -2,-0.1 2,-0.6 214,-0.1 214,-0.2 -0.605 41.7-165.9 -75.9 118.7 32.9 52.2 26.6 17 20 A Q E -a 230 0A 16 212,-1.8 214,-1.9 -2,-0.6 2,-0.7 -0.922 4.1-157.9-110.6 111.9 36.1 50.9 25.0 18 21 A I E +a 231 0A 3 -2,-0.6 21,-3.4 212,-0.2 22,-1.0 -0.795 22.3 176.9 -91.7 113.6 35.6 47.9 22.7 19 22 A G E -ab 232 40A 0 212,-2.6 214,-2.3 -2,-0.7 215,-0.4 -0.684 22.3-149.8-118.4 171.0 38.7 45.8 22.2 20 23 A C E - b 0 41A 0 20,-1.9 22,-2.2 212,-0.2 215,-0.3 -0.987 20.4-123.2-137.0 145.1 40.1 42.7 20.6 21 24 A W E -ab 235 42A 11 213,-3.1 215,-3.0 -2,-0.3 2,-0.4 -0.579 20.1-154.1 -86.6 149.4 42.8 40.3 21.5 22 25 A S E + b 0 43A 0 20,-2.5 22,-1.9 213,-0.2 26,-0.1 -0.989 33.6 144.5-128.5 126.0 45.7 39.6 19.2 23 26 A A + 0 0 13 -2,-0.4 -1,-0.1 20,-0.1 20,-0.1 0.407 48.5 96.7-135.1 -6.2 47.7 36.4 19.3 24 27 A L S S- 0 0 0 24,-0.1 259,-0.3 2,-0.1 258,-0.2 0.586 75.9-148.6 -64.5 -9.5 48.6 35.8 15.6 25 28 A S + 0 0 11 1,-0.1 257,-0.1 257,-0.1 -1,-0.1 0.787 52.7 103.4 45.0 45.8 51.9 37.4 16.4 26 29 A N > - 0 0 12 1,-0.1 4,-1.7 254,-0.1 5,-0.1 -0.984 69.6-129.8-156.5 146.7 52.6 39.0 13.0 27 30 A P H > S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.753 100.6 61.9 -62.4 -30.4 52.5 42.5 11.2 28 31 A I H > S+ 0 0 62 2,-0.2 4,-1.1 1,-0.2 3,-0.2 0.976 113.0 30.7 -65.6 -56.9 50.6 41.3 8.2 29 32 A S H > S+ 0 0 0 249,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.834 117.1 59.3 -72.7 -31.3 47.3 40.2 9.9 30 33 A T H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.831 100.1 55.5 -68.0 -29.3 47.7 42.8 12.6 31 34 A E H < S+ 0 0 115 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.905 110.3 46.4 -68.5 -36.0 47.7 45.6 10.1 32 35 A V H >X S+ 0 0 18 -4,-1.1 3,-1.5 1,-0.2 4,-0.6 0.888 107.6 57.2 -69.5 -39.0 44.4 44.3 8.8 33 36 A L H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 5,-0.4 0.850 98.2 61.8 -59.3 -36.7 43.1 44.0 12.4 34 37 A G T 3< S+ 0 0 9 -4,-1.6 32,-0.5 1,-0.2 33,-0.4 0.607 95.5 61.0 -67.7 -12.2 43.8 47.7 12.9 35 38 A L T <4 S+ 0 0 105 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.720 82.1 83.4 -85.1 -22.2 41.3 48.5 10.3 36 39 A A S << S- 0 0 2 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.781 99.1-120.7 -52.5 -35.7 38.4 46.9 12.1 37 40 A G + 0 0 23 -4,-0.3 -19,-0.1 -3,-0.3 -1,-0.1 0.527 51.9 158.6 105.1 6.1 37.8 49.9 14.3 38 41 A F - 0 0 0 -5,-0.4 -19,-0.2 1,-0.1 -1,-0.2 -0.230 44.7-132.3 -60.6 154.2 38.3 48.5 17.8 39 42 A D S S+ 0 0 29 -21,-3.4 29,-2.2 1,-0.3 2,-0.3 0.761 87.9 9.1 -79.0 -26.1 39.1 51.0 20.5 40 43 A W E -bc 19 68A 0 -22,-1.0 -20,-1.9 27,-0.3 2,-0.4 -0.983 61.0-156.7-155.8 143.5 42.0 48.9 21.8 41 44 A L E -bc 20 69A 0 27,-2.1 29,-2.7 -2,-0.3 2,-0.8 -0.990 16.0-142.4-124.0 125.7 43.9 45.8 20.7 42 45 A V E -bc 21 70A 0 -22,-2.2 -20,-2.5 -2,-0.4 2,-1.4 -0.786 5.4-155.2 -91.9 107.5 45.8 43.7 23.2 43 46 A L E -bc 22 71A 0 27,-3.3 29,-1.7 -2,-0.8 2,-0.4 -0.702 26.1-138.6 -82.0 96.3 49.0 42.4 21.7 44 47 A D E + c 0 72A 6 -22,-1.9 6,-0.4 -2,-1.4 4,-0.2 -0.427 34.4 170.3 -64.5 112.8 49.3 39.4 24.0 45 48 A G S S+ 0 0 10 27,-2.0 -1,-0.2 -2,-0.4 28,-0.1 0.335 75.2 51.3-103.2 5.9 52.8 38.7 25.2 46 49 A E S S+ 0 0 46 27,-0.1 27,-0.1 26,-0.1 -1,-0.1 0.811 122.3 17.2-108.2 -47.2 51.7 36.1 27.7 47 50 A H S S+ 0 0 127 25,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.362 117.7 68.9-110.5 5.2 49.6 33.4 26.0 48 51 A A S S- 0 0 8 -4,-0.2 2,-3.5 2,-0.1 -24,-0.1 -0.945 95.4-105.9-123.2 142.3 50.5 34.3 22.5 49 52 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.200 72.3 138.5 -64.8 55.3 54.0 33.7 20.9 50 53 A N + 0 0 13 -2,-3.5 2,-0.3 -6,-0.4 -2,-0.1 -0.803 19.7 155.3-107.1 145.3 54.8 37.4 21.0 51 54 A D >> - 0 0 78 -2,-0.3 4,-3.3 -26,-0.1 3,-1.2 -0.863 60.6 -75.4-149.8-177.5 58.1 39.1 21.9 52 55 A I H 3> S+ 0 0 29 1,-0.3 4,-1.9 -2,-0.3 -1,-0.1 0.927 127.5 57.6 -52.5 -46.3 60.1 42.3 21.3 53 56 A S H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.748 116.6 32.7 -57.7 -28.7 61.0 41.0 17.8 54 57 A T H <> S+ 0 0 32 -3,-1.2 4,-1.7 2,-0.1 -1,-0.2 0.746 110.6 65.2 -98.5 -29.5 57.3 40.7 16.8 55 58 A F H X S+ 0 0 6 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.916 99.3 51.4 -58.6 -46.7 55.9 43.6 18.9 56 59 A I H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.919 108.3 48.7 -60.5 -48.1 57.8 46.3 17.0 57 60 A P H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 114.8 47.5 -59.0 -41.9 56.7 45.3 13.5 58 61 A Q H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.838 108.0 53.9 -67.1 -36.0 53.1 45.1 14.7 59 62 A L H < S+ 0 0 11 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.852 111.0 47.2 -66.7 -32.7 53.3 48.4 16.5 60 63 A X H >< S+ 0 0 99 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.881 108.6 55.0 -73.4 -36.9 54.4 49.9 13.1 61 64 A A H 3< S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.859 107.2 51.2 -62.5 -35.1 51.6 48.0 11.4 62 65 A L T >< S+ 0 0 5 -4,-1.9 3,-2.0 -5,-0.1 -1,-0.3 0.514 79.3 120.8 -81.4 -7.5 49.1 49.7 13.8 63 66 A K T < S+ 0 0 134 -3,-1.1 3,-0.1 -4,-0.3 -3,-0.0 -0.342 80.4 22.2 -57.7 135.7 50.5 53.2 13.1 64 67 A G T 3 S+ 0 0 95 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.631 98.1 124.4 80.7 10.7 47.6 55.3 11.8 65 68 A S < - 0 0 29 -3,-2.0 -1,-0.3 2,-0.2 -30,-0.1 -0.814 63.4-138.9-103.6 146.3 45.0 53.0 13.4 66 69 A A S S+ 0 0 92 -32,-0.5 -1,-0.1 -2,-0.3 -31,-0.1 0.845 76.5 102.4 -70.7 -32.5 42.4 54.3 15.8 67 70 A S S S- 0 0 4 -33,-0.4 -27,-0.3 1,-0.1 -2,-0.2 -0.240 75.8-128.9 -56.6 133.1 43.0 51.2 18.0 68 71 A A E -c 40 0A 15 -29,-2.2 -27,-2.1 1,-0.0 2,-0.4 -0.731 24.7-126.2 -84.1 124.3 45.1 51.9 21.1 69 72 A P E -c 41 0A 35 0, 0.0 21,-0.5 0, 0.0 22,-0.5 -0.620 30.4-176.2 -77.0 125.5 47.9 49.3 21.3 70 73 A V E -c 42 0A 0 -29,-2.7 -27,-3.3 -2,-0.4 2,-0.4 -0.983 12.6-150.9-123.4 130.7 48.0 47.5 24.6 71 74 A V E -cd 43 92A 0 20,-2.2 22,-2.5 -2,-0.4 2,-0.9 -0.854 4.7-150.5-102.6 135.3 50.7 45.0 25.5 72 75 A R E -cd 44 93A 15 -29,-1.7 -27,-2.0 -2,-0.4 22,-0.2 -0.872 25.7-138.8-103.8 98.0 49.8 42.1 27.9 73 76 A V - 0 0 0 20,-1.1 -27,-0.1 -2,-0.9 3,-0.1 -0.108 14.7-119.4 -54.9 152.3 53.2 41.5 29.6 74 77 A P S S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.757 89.7 -19.0 -66.4 -22.5 54.2 37.8 30.1 75 78 A T S S- 0 0 77 2,-0.1 2,-1.3 0, 0.0 21,-0.1 -0.969 79.1 -83.8-172.6 167.7 54.3 38.6 33.9 76 79 A N S S+ 0 0 23 -2,-0.3 30,-0.1 19,-0.3 18,-0.1 -0.682 73.5 121.8 -91.7 88.5 54.6 41.4 36.4 77 80 A E > - 0 0 63 -2,-1.3 4,-1.3 29,-0.1 3,-0.3 -0.985 62.6-124.2-146.8 138.3 58.3 42.2 36.7 78 81 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.752 98.3 62.2 -52.4 -39.6 60.2 45.5 36.0 79 82 A V H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.954 108.2 39.6 -58.8 -54.2 62.7 44.4 33.4 80 83 A I H > S+ 0 0 24 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.873 114.6 54.3 -65.3 -36.3 60.3 43.3 30.6 81 84 A I H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.927 108.5 50.7 -61.8 -43.0 58.0 46.3 31.4 82 85 A K H X S+ 0 0 83 -4,-2.4 4,-1.8 1,-0.2 3,-0.4 0.949 111.6 45.8 -58.1 -53.4 61.0 48.6 30.9 83 86 A R H X S+ 0 0 125 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.854 113.2 51.0 -60.0 -36.5 62.0 47.0 27.6 84 87 A L H <>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.2 4,-0.5 0.771 106.1 54.8 -73.6 -27.4 58.3 47.1 26.4 85 88 A L H ><5S+ 0 0 2 -4,-1.8 3,-0.6 -3,-0.4 -2,-0.2 0.886 107.8 49.5 -73.0 -39.7 58.0 50.8 27.3 86 89 A D H 3<5S+ 0 0 30 -4,-1.8 40,-1.7 1,-0.2 39,-0.7 0.834 103.1 58.6 -70.0 -33.5 61.0 51.8 25.2 87 90 A I T 3<5S- 0 0 22 -4,-1.3 -1,-0.2 38,-0.2 -2,-0.2 0.656 130.9 -81.9 -75.0 -11.4 59.9 50.0 22.1 88 91 A G T < 5S+ 0 0 8 -3,-0.6 2,-0.5 -4,-0.5 -3,-0.2 0.666 78.8 138.2 126.4 23.1 56.6 52.0 22.0 89 92 A F < + 0 0 1 -5,-1.4 -1,-0.3 1,-0.1 -19,-0.1 -0.846 15.4 170.2 -98.4 129.8 53.9 50.6 24.4 90 93 A Y + 0 0 44 -21,-0.5 54,-2.7 -2,-0.5 2,-0.4 0.423 65.7 56.4-114.1 -4.8 51.9 53.2 26.3 91 94 A N E - e 0 144A 5 -22,-0.5 -20,-2.2 52,-0.2 2,-0.4 -0.997 67.7-164.6-131.9 132.4 49.2 50.9 27.7 92 95 A F E -de 71 145A 0 52,-3.1 54,-2.6 -2,-0.4 2,-0.5 -0.939 16.8-160.4-126.1 143.8 49.8 47.8 29.8 93 96 A L E -de 72 146A 0 -22,-2.5 -20,-1.1 -2,-0.4 54,-0.2 -0.982 20.6-155.9-115.6 115.6 47.8 44.8 30.9 94 97 A I E - e 0 147A 1 52,-3.4 54,-2.4 -2,-0.5 3,-0.3 -0.820 9.4-139.5-101.6 107.6 49.5 43.1 33.9 95 98 A P S S+ 0 0 2 0, 0.0 -19,-0.3 0, 0.0 54,-0.1 -0.312 74.1 6.8 -65.5 151.3 48.7 39.5 34.4 96 99 A F + 0 0 76 1,-0.2 2,-0.9 -21,-0.1 -20,-0.2 0.890 66.7 177.5 41.6 72.7 48.1 38.1 37.9 97 100 A V + 0 0 0 51,-2.6 -1,-0.2 -3,-0.3 54,-0.2 -0.881 10.9 160.8 -98.6 101.1 48.0 41.2 40.1 98 101 A E + 0 0 49 -2,-0.9 59,-0.3 51,-0.1 2,-0.3 0.695 53.2 35.6 -98.5 -21.6 47.2 39.6 43.5 99 102 A T S > S- 0 0 25 1,-0.1 4,-2.4 61,-0.1 5,-0.1 -0.896 73.2-118.4-135.4 163.0 48.2 42.4 45.9 100 103 A K H > S+ 0 0 75 -2,-0.3 4,-1.6 2,-0.2 5,-0.1 0.799 117.0 60.1 -64.2 -27.9 48.4 46.1 46.3 101 104 A E H >> S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.991 106.5 42.7 -60.7 -62.7 52.1 45.6 46.5 102 105 A E H 3> S+ 0 0 52 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.884 109.7 58.9 -50.5 -45.1 52.3 44.1 43.1 103 106 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 0.852 108.4 45.8 -55.2 -37.7 49.9 46.8 41.8 104 107 A E H < S+ 0 0 9 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.912 112.5 52.8 -65.7 -43.0 52.9 51.3 38.2 108 111 A A H >< S+ 0 0 24 -4,-3.3 9,-3.5 1,-0.3 3,-1.0 0.757 101.4 61.0 -63.6 -27.6 56.5 52.0 39.4 109 112 A S H 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.2 10,-0.2 0.682 104.3 49.4 -74.4 -18.2 57.9 50.1 36.5 110 113 A T T << S+ 0 0 0 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.2 0.245 102.8 77.7-103.0 10.6 56.2 52.5 34.1 111 114 A R S < S- 0 0 15 -3,-1.0 7,-3.2 -4,-0.1 28,-0.0 -0.978 74.7-127.7-131.7 133.1 57.5 55.6 35.8 112 115 A Y > - 0 0 14 -2,-0.4 3,-0.6 5,-0.2 4,-0.5 -0.459 57.5 -56.9 -70.1 140.4 60.8 57.4 35.8 113 116 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.127 116.0 27.7 -58.2 158.7 62.2 58.1 39.3 114 117 A P T 3 S+ 0 0 139 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.972 130.3 44.7 -77.2 -16.0 61.6 59.4 41.8 115 118 A E S < S- 0 0 99 -3,-0.6 2,-0.2 2,-0.0 -3,-0.1 0.778 133.8 -16.8 -54.3 -27.9 57.9 58.8 40.9 116 119 A G - 0 0 10 -4,-0.5 -7,-0.2 2,-0.1 -8,-0.1 -0.747 70.0 -94.0-154.1-158.3 59.0 55.2 39.9 117 120 A I + 0 0 100 -9,-3.5 -5,-0.2 -2,-0.2 -8,-0.2 0.241 60.2 143.0-119.4 12.8 61.8 52.9 38.9 118 121 A R - 0 0 6 -7,-3.2 2,-0.2 -10,-0.7 -2,-0.1 -0.272 51.4-120.1 -59.0 135.8 61.8 53.1 35.1 119 122 A G - 0 0 29 -10,-0.2 2,-0.5 -7,-0.1 -1,-0.1 -0.532 27.2-124.1 -76.3 142.6 65.2 52.9 33.5 120 123 A V + 0 0 90 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.793 32.4 169.0-100.2 124.9 66.2 56.0 31.4 121 124 A S - 0 0 41 -2,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.919 25.0-147.3-122.6 149.3 67.2 55.7 27.7 122 125 A V S S+ 0 0 118 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.683 79.9 32.6 -95.6 -19.4 67.6 58.9 25.5 123 126 A S S S+ 0 0 66 6,-0.1 2,-0.3 7,-0.1 -1,-0.2 -0.968 76.2 111.2-142.7 123.3 66.6 57.6 22.1 124 127 A H S >S- 0 0 13 -2,-0.4 5,-3.7 -3,-0.1 6,-0.3 -0.948 76.1 -77.5-170.9 179.2 64.0 54.9 21.3 125 128 A R T > 5S+ 0 0 29 -39,-0.7 3,-1.0 -2,-0.3 -38,-0.2 0.783 118.5 64.9 -65.9 -28.1 60.5 54.4 19.9 126 129 A A T 3 5S+ 0 0 0 -40,-1.7 -1,-0.2 1,-0.3 -40,-0.1 0.945 116.2 26.7 -61.7 -49.8 58.7 55.7 23.0 127 130 A N T >>>S- 0 0 7 -3,-0.2 5,-1.4 -41,-0.2 4,-1.2 0.098 114.0-117.8 -98.4 23.1 60.1 59.2 22.6 128 131 A X G X45S- 0 0 51 -3,-1.0 3,-1.0 1,-0.3 -3,-0.3 0.882 71.1 -54.4 37.6 54.9 60.3 58.6 18.8 129 132 A F G 34 S+ 0 0 104 -2,-0.1 4,-2.3 3,-0.1 -1,-0.3 0.879 83.9 166.8 46.3 48.5 58.6 67.3 26.7 135 138 A Y H <> + 0 0 15 -3,-1.0 4,-3.3 2,-0.2 5,-0.2 0.974 63.6 48.1 -55.5 -70.0 58.9 63.5 26.8 136 139 A F H > S+ 0 0 99 1,-0.2 4,-0.9 2,-0.2 -24,-0.2 0.841 117.1 43.7 -42.0 -46.6 60.3 62.8 30.3 137 140 A A H 4 S+ 0 0 41 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.946 120.5 40.6 -66.7 -48.9 57.8 65.0 32.0 138 141 A Q H >X S+ 0 0 56 -4,-2.3 3,-3.1 1,-0.2 4,-1.1 0.936 102.2 68.2 -64.9 -52.6 54.8 63.8 30.0 139 142 A S H >< S+ 0 0 0 -4,-3.3 3,-1.2 1,-0.3 4,-0.2 0.836 92.1 60.1 -35.4 -56.0 55.6 60.1 29.9 140 143 A N T 3< S+ 0 0 10 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.562 112.4 39.3 -56.6 -10.0 55.0 59.6 33.6 141 144 A K T <4 S+ 0 0 117 -3,-3.1 -1,-0.3 -4,-0.1 -2,-0.2 0.550 108.4 61.2-113.6 -15.4 51.4 60.7 33.2 142 145 A N S << S+ 0 0 13 -3,-1.2 2,-0.5 -4,-1.1 -2,-0.2 0.038 74.8 105.4-104.6 28.2 50.6 59.1 29.9 143 146 A I - 0 0 2 -4,-0.2 2,-0.4 -3,-0.1 -52,-0.2 -0.937 59.0-144.1-111.9 122.5 51.0 55.4 30.7 144 147 A T E -e 91 0A 0 -54,-2.7 -52,-3.1 -2,-0.5 2,-0.6 -0.705 10.8-162.3 -86.6 127.6 47.9 53.2 31.2 145 148 A I E -ef 92 167A 0 21,-0.6 23,-2.0 -2,-0.4 24,-1.3 -0.944 8.4-178.6-113.4 116.6 48.1 50.5 33.8 146 149 A L E -ef 93 169A 0 -54,-2.6 -52,-3.4 -2,-0.6 2,-0.4 -0.943 11.4-159.3-117.3 110.5 45.5 47.7 33.6 147 150 A V E -ef 94 170A 0 22,-1.9 24,-3.2 -2,-0.6 2,-0.5 -0.732 9.9-136.8 -94.8 137.2 45.7 45.1 36.3 148 151 A Q E - f 0 171A 2 -54,-2.4 -51,-2.6 -2,-0.4 2,-0.8 -0.799 8.4-161.1 -95.2 125.4 44.3 41.6 36.0 149 152 A I E + f 0 172A 0 22,-3.0 24,-1.1 -2,-0.5 28,-0.1 -0.907 38.6 135.6-102.8 104.9 42.4 40.1 38.9 150 153 A E + 0 0 3 -2,-0.8 2,-0.3 22,-0.2 30,-0.2 0.026 49.4 66.9-144.9 34.9 42.3 36.4 38.2 151 154 A S S > S- 0 0 9 -54,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.923 83.6-111.9-146.1 164.3 43.2 34.6 41.4 152 155 A Q H > S+ 0 0 88 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.925 119.8 50.2 -67.7 -42.4 41.4 34.3 44.8 153 156 A Q H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 107.9 52.8 -59.9 -46.1 44.1 36.4 46.4 154 157 A G H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.870 111.4 48.1 -57.9 -37.1 43.7 39.1 43.8 155 158 A V H >< S+ 0 0 10 -4,-1.6 3,-2.7 2,-0.2 4,-0.4 0.973 105.6 55.2 -66.8 -55.7 40.0 39.1 44.5 156 159 A D H 3< S+ 0 0 107 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.816 118.0 37.5 -46.8 -35.1 40.4 39.3 48.3 157 160 A N T 3X S+ 0 0 54 -4,-1.8 4,-2.5 -59,-0.3 3,-0.3 0.268 78.7 117.5-103.9 11.9 42.5 42.5 47.7 158 161 A V H <> S+ 0 0 1 -3,-2.7 4,-2.6 1,-0.2 5,-0.2 0.855 76.3 53.4 -45.8 -43.0 40.5 43.9 44.8 159 162 A D H > S+ 0 0 52 -4,-0.4 4,-1.4 -3,-0.3 -1,-0.2 0.935 110.9 42.5 -60.1 -52.4 39.6 47.0 46.9 160 163 A A H > S+ 0 0 37 -3,-0.3 4,-0.8 2,-0.2 3,-0.2 0.925 116.0 50.4 -61.1 -45.8 43.2 47.9 47.9 161 164 A I H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.926 109.7 49.1 -57.9 -49.9 44.5 47.2 44.4 162 165 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.767 108.2 55.7 -63.3 -26.2 41.8 49.3 42.7 163 166 A A H 3< S+ 0 0 57 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.659 82.9 116.7 -81.3 -16.2 42.6 52.2 45.2 164 167 A T S X< S- 0 0 10 -3,-1.1 3,-0.9 -4,-0.8 2,-0.3 -0.243 74.4-113.0 -58.3 134.5 46.2 52.2 44.1 165 168 A E T 3 S+ 0 0 139 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.520 103.7 26.3 -67.2 128.1 47.6 55.4 42.5 166 169 A G T 3 S+ 0 0 6 1,-0.3 -21,-0.6 -2,-0.3 2,-0.5 -0.199 84.1 120.7 110.7 -42.0 48.4 54.6 38.9 167 170 A V E < +f 145 0A 1 -3,-0.9 -1,-0.3 -6,-0.2 -21,-0.1 -0.432 36.2 178.7 -59.4 109.8 46.0 51.7 38.4 168 171 A D E + 0 0 31 -23,-2.0 2,-0.3 -2,-0.5 -22,-0.2 0.648 59.9 9.8 -91.5 -16.9 43.9 52.9 35.6 169 172 A G E -f 146 0A 0 -24,-1.3 -22,-1.9 39,-0.2 2,-0.6 -0.983 59.9-131.4-163.7 150.3 41.6 49.9 35.2 170 173 A I E -fg 147 210A 0 39,-2.6 41,-2.8 -2,-0.3 2,-0.4 -0.925 29.1-167.8-107.1 116.2 40.5 46.7 36.8 171 174 A F E -fg 148 211A 1 -24,-3.2 -22,-3.0 -2,-0.6 2,-0.6 -0.872 11.2-144.1-109.6 137.4 40.5 43.8 34.3 172 175 A V E -fg 149 212A 0 39,-2.8 41,-1.0 -2,-0.4 -22,-0.2 -0.868 0.9-157.0-103.7 122.5 39.0 40.4 34.9 173 176 A G > - 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0 0 2 -5,-2.5 -1,-0.3 1,-0.2 -17,-0.2 -0.502 21.6-169.4 -66.4 134.7 32.9 23.8 -11.4 483 232 B T S S+ 0 0 13 -19,-1.6 -212,-2.8 1,-0.2 2,-0.9 0.881 70.0 47.9 -96.2 -46.9 34.6 21.2 -9.1 484 233 B F E S+ip 271 465B 0 -20,-1.7 -18,-1.0 -214,-0.2 2,-0.4 -0.809 73.4 166.7-101.4 101.7 37.5 22.9 -7.4 485 234 B V E -ip 272 466B 0 -214,-1.8 -212,-2.2 -2,-0.9 2,-0.8 -0.944 32.5-144.3-118.4 131.0 36.2 26.2 -6.1 486 235 B A E -ip 273 467B 0 -20,-2.5 -18,-3.2 -2,-0.4 -212,-0.2 -0.833 12.2-167.2 -93.3 113.3 37.9 28.6 -3.6 487 236 B V E - 0 0 3 -214,-2.1 2,-0.3 -2,-0.8 -213,-0.1 0.233 60.4 -38.7 -86.6 14.2 35.1 30.0 -1.5 488 237 B G E - 0 0 4 -215,-0.3 -213,-2.8 -18,-0.1 2,-0.3 -0.975 59.2 -94.0 158.9-171.5 37.2 32.7 0.0 489 238 B S E > -i 275 0B 27 -2,-0.3 4,-2.6 -215,-0.3 5,-0.2 -0.963 26.1-122.4-138.3 154.5 40.6 33.8 1.5 490 239 B D H > S+ 0 0 0 -215,-2.1 4,-3.0 -2,-0.3 5,-0.3 0.899 115.9 52.8 -61.9 -38.3 42.0 33.9 5.0 491 240 B L H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.945 112.0 41.7 -60.6 -54.2 42.6 37.6 4.4 492 241 B G H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.863 117.6 47.8 -64.0 -39.1 39.0 38.4 3.3 493 242 B V H X S+ 0 0 22 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.950 115.1 44.3 -67.3 -49.8 37.5 36.2 6.0 494 243 B F H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.929 116.2 48.1 -59.9 -46.8 39.8 37.7 8.7 495 244 B R H X S+ 0 0 89 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.955 116.8 41.8 -57.3 -53.9 39.1 41.2 7.4 496 245 B S H X S+ 0 0 51 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 115.1 49.5 -63.2 -43.2 35.4 40.7 7.2 497 246 B A H X S+ 0 0 22 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.842 112.5 46.7 -68.2 -34.6 35.0 38.8 10.5 498 247 B T H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.822 112.3 50.4 -77.9 -29.8 37.0 41.4 12.5 499 248 B Q H X S+ 0 0 43 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.919 111.6 49.2 -70.3 -44.4 35.1 44.3 11.0 500 249 B K H X S+ 0 0 117 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 109.7 50.4 -60.2 -47.3 31.8 42.6 11.8 501 250 B L H < S+ 0 0 28 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.906 112.4 47.3 -60.2 -41.7 32.9 41.9 15.4 502 251 B A H >X S+ 0 0 2 -4,-1.7 4,-1.5 1,-0.2 3,-1.1 0.937 112.7 50.6 -64.2 -46.4 33.8 45.6 15.9 503 252 B D H >< S+ 0 0 47 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.928 98.8 61.4 -57.8 -53.0 30.6 46.8 14.3 504 253 B T T 3< S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.646 119.3 30.5 -53.5 -14.7 28.2 44.7 16.4 505 254 B F T <4 S+ 0 0 28 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.533 121.8 48.0-118.9 -15.5 29.5 46.6 19.4 506 255 B K << 0 0 73 -4,-1.5 -2,-0.1 -3,-0.6 -1,-0.1 -0.509 360.0 360.0-125.7 62.6 30.5 50.0 18.0 507 256 B K 0 0 221 -3,-0.2 -3,-0.1 -2,-0.1 -4,-0.1 -0.141 360.0 360.0-170.9 360.0 27.4 50.9 16.0