==== 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 SUGAR BINDING PROTEIN 26-NOV-04 1Y3N . COMPND 2 MOLECULE: ALGQ1; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP.; . AUTHOR K.MOMMA,Y.MISHIMA,W.HASHIMOTO,B.MIKAMI,K.MURATA . 490 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.6 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 3 2 2 0 4 3 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 1 0 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 PARALLEL BRIDGES PER LADDER . 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 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 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 R 0 0 205 0, 0.0 2,-0.3 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 149.7 13.6 10.2 14.4 2 2 A E > - 0 0 76 36,-0.1 3,-2.1 35,-0.1 36,-0.0 -0.938 360.0-126.9-126.0 148.3 12.7 6.6 15.4 3 3 A A T 3 S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.3 35,-0.0 0.704 114.0 59.1 -63.9 -17.4 13.8 3.3 13.9 4 4 A T T 3 S+ 0 0 55 34,-0.1 -1,-0.3 2,-0.0 331,-0.1 0.447 76.2 124.0 -90.3 -3.2 10.0 2.6 13.8 5 5 A W < - 0 0 69 -3,-2.1 35,-0.2 1,-0.1 34,-0.2 -0.364 44.9-165.1 -60.0 134.1 9.3 5.6 11.6 6 6 A V S S+ 0 0 23 33,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.420 76.9 26.4-100.5 -1.0 7.4 4.6 8.4 7 7 A T - 0 0 26 32,-0.5 -1,-0.3 1,-0.1 4,-0.1 -0.953 63.6-144.5-159.9 139.0 8.1 7.9 6.7 8 8 A E S S+ 0 0 115 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.904 91.8 62.6 -71.7 -42.8 10.9 10.5 7.1 9 9 A K S S- 0 0 165 1,-0.1 -1,-0.0 32,-0.0 0, 0.0 -0.719 102.0-105.4 -86.7 128.3 8.5 13.4 6.4 10 10 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 31,-0.2 -0.252 40.3-159.4 -53.6 134.6 5.6 13.7 9.0 11 11 A L E -a 41 0A 26 29,-2.4 31,-3.1 -4,-0.1 2,-0.4 -0.970 12.4-165.9-125.5 134.7 2.3 12.5 7.6 12 12 A T E -a 42 0A 83 -2,-0.4 2,-0.3 29,-0.2 31,-0.2 -0.967 11.7-176.3-117.8 131.9 -1.2 13.2 8.7 13 13 A L E -a 43 0A 4 29,-3.0 31,-3.0 -2,-0.4 2,-0.5 -0.918 23.3-123.3-126.7 153.2 -4.2 11.1 7.5 14 14 A K E -a 44 0A 121 -2,-0.3 56,-1.9 29,-0.2 55,-1.6 -0.821 26.9-170.4 -98.7 132.9 -7.9 11.4 8.0 15 15 A I E -ab 45 70A 0 29,-2.7 31,-2.0 -2,-0.5 2,-0.7 -0.975 16.2-154.1-125.4 134.9 -9.8 8.4 9.4 16 16 A H E + b 0 71A 12 54,-2.7 56,-2.2 -2,-0.4 2,-0.4 -0.923 31.6 155.6-105.2 109.7 -13.5 7.9 9.8 17 17 A M E + b 0 72A 0 -2,-0.7 8,-1.4 54,-0.2 2,-0.5 -0.880 9.4 162.5-141.1 106.4 -14.1 5.5 12.7 18 18 A H E +E 24 0B 7 54,-0.7 2,-0.3 -2,-0.4 6,-0.2 -0.995 22.7 178.1-120.8 122.3 -17.3 5.4 14.6 19 19 A F E >> +E 23 0B 0 4,-2.8 4,-2.6 -2,-0.5 3,-2.0 -0.943 48.1 7.5-135.6 155.5 -17.7 2.2 16.6 20 20 A R T 34 S- 0 0 47 -2,-0.3 -1,-0.1 1,-0.3 55,-0.0 0.753 110.8 -81.5 51.4 31.9 -20.0 0.4 19.1 21 21 A D T 34 S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.588 127.5 58.6 54.9 16.5 -22.6 3.1 18.5 22 22 A K T <4 S+ 0 0 100 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.578 89.4 61.2-142.7 -24.3 -20.8 5.4 21.0 23 23 A W E < -E 19 0B 70 -4,-2.6 -4,-2.8 29,-0.0 2,-0.3 -0.791 44.3-169.0-122.0 159.7 -17.2 6.2 20.1 24 24 A V E -E 18 0B 24 -2,-0.3 -6,-0.2 -6,-0.2 21,-0.1 -0.919 44.0 -80.5-134.9 159.8 -15.0 7.8 17.5 25 25 A W - 0 0 13 -8,-1.4 2,-0.5 -2,-0.3 20,-0.2 -0.367 43.5-157.2 -61.0 136.8 -11.3 7.9 16.8 26 26 A D > - 0 0 61 1,-0.1 3,-2.3 18,-0.1 6,-0.3 -0.941 16.1-162.6-124.5 109.9 -9.6 10.5 19.1 27 27 A E T 3 S+ 0 0 57 -2,-0.5 -1,-0.1 1,-0.3 16,-0.1 0.681 94.6 62.3 -60.8 -17.1 -6.2 11.9 17.9 28 28 A N T 3 S+ 0 0 114 4,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.532 76.3 119.6 -85.4 -9.6 -5.8 13.0 21.6 29 29 A W S <> S- 0 0 19 -3,-2.3 4,-2.7 1,-0.1 5,-0.2 -0.293 71.3-128.5 -56.8 138.5 -5.9 9.4 22.8 30 30 A P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.917 110.2 48.7 -56.8 -42.6 -2.7 8.4 24.6 31 31 A V H > S+ 0 0 4 350,-2.1 4,-2.6 2,-0.2 5,-0.2 0.935 110.8 49.4 -64.1 -44.6 -2.4 5.3 22.4 32 32 A A H > S+ 0 0 10 349,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.915 112.1 49.2 -60.4 -42.3 -2.9 7.3 19.2 33 33 A R H X S+ 0 0 159 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.890 111.4 48.7 -65.4 -38.7 -0.3 9.8 20.3 34 34 A E H X S+ 0 0 33 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.908 112.1 47.9 -69.0 -40.9 2.2 7.1 21.1 35 35 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 6,-0.4 0.909 111.6 51.3 -65.7 -39.3 1.7 5.3 17.8 36 36 A A H X S+ 0 0 24 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.905 109.4 50.7 -63.0 -41.6 2.0 8.7 16.0 37 37 A R H < S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.937 115.4 42.2 -61.0 -46.8 5.3 9.4 17.8 38 38 A L H < S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.804 126.1 30.9 -72.7 -31.1 6.7 6.0 16.9 39 39 A T H < S- 0 0 0 -4,-2.5 -33,-2.3 2,-0.2 -32,-0.5 0.652 93.7-129.2-103.1 -18.4 5.5 5.9 13.3 40 40 A N S < S+ 0 0 23 -4,-2.6 -29,-2.4 -5,-0.3 2,-0.5 0.652 74.6 114.6 75.9 16.3 5.6 9.6 12.3 41 41 A V E -a 11 0A 3 -6,-0.4 2,-0.4 -5,-0.3 -1,-0.2 -0.980 49.5-163.4-122.3 122.5 2.0 9.1 11.0 42 42 A K E -a 12 0A 102 -31,-3.1 -29,-3.0 -2,-0.5 2,-0.5 -0.889 5.5-151.8-108.3 132.6 -0.9 11.0 12.7 43 43 A L E -a 13 0A 11 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.904 7.5-163.8-106.1 128.0 -4.5 10.0 12.2 44 44 A V E -a 14 0A 35 -31,-3.0 -29,-2.7 -2,-0.5 2,-0.2 -0.935 19.3-127.5-110.8 128.8 -7.2 12.7 12.6 45 45 A G E +a 15 0A 24 -2,-0.5 -29,-0.2 -31,-0.2 -18,-0.1 -0.515 27.0 175.3 -80.5 141.6 -10.8 11.7 13.1 46 46 A V + 0 0 70 -31,-2.0 -30,-0.2 -2,-0.2 -1,-0.1 0.288 39.6 122.0-123.7 7.1 -13.6 13.0 10.9 47 47 A A S S- 0 0 15 -32,-0.5 2,-0.7 -30,-0.2 -23,-0.1 -0.393 72.1-102.1 -74.3 150.9 -16.6 10.9 12.3 48 48 A N - 0 0 83 1,-0.2 3,-0.3 -2,-0.1 -1,-0.1 -0.622 27.1-164.3 -75.3 111.2 -19.7 12.6 13.7 49 49 A R S S+ 0 0 195 -2,-0.7 2,-0.8 1,-0.2 -1,-0.2 0.685 82.0 69.1 -69.9 -18.5 -19.4 12.4 17.5 50 50 A A S S+ 0 0 85 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.467 80.5 98.1 -99.9 60.9 -23.1 13.2 17.9 51 51 A A - 0 0 17 -2,-0.8 3,-0.1 -3,-0.3 -4,-0.0 -0.992 52.0-162.5-146.9 138.6 -24.5 9.9 16.4 52 52 A T S S+ 0 0 115 -2,-0.3 2,-0.4 1,-0.2 -3,-0.0 0.261 75.2 64.5-107.6 12.0 -25.7 6.7 18.1 53 53 A N > - 0 0 78 1,-0.1 4,-1.7 -31,-0.0 -1,-0.2 -0.901 57.2-166.1-139.7 108.5 -25.5 4.2 15.2 54 54 A S H > S+ 0 0 3 -2,-0.4 4,-1.8 1,-0.2 -36,-0.2 0.831 90.4 52.0 -61.6 -37.5 -22.2 3.3 13.8 55 55 A Q H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 107.9 52.4 -68.0 -39.7 -23.6 1.6 10.6 56 56 A E H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 108.2 52.7 -61.9 -37.6 -25.7 4.7 9.9 57 57 A Q H X S+ 0 0 15 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.882 105.3 52.7 -66.9 -39.4 -22.5 6.8 10.1 58 58 A F H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.963 112.3 46.2 -59.9 -47.9 -20.6 4.6 7.7 59 59 A N H X S+ 0 0 62 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.893 112.5 50.2 -60.3 -41.6 -23.5 5.1 5.2 60 60 A L H >< S+ 0 0 69 -4,-2.5 3,-0.9 2,-0.2 4,-0.3 0.923 109.8 50.6 -63.1 -44.8 -23.6 8.8 5.9 61 61 A M H >< S+ 0 0 17 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.936 107.5 54.0 -56.6 -47.6 -19.9 9.1 5.3 62 62 A M H 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.696 115.1 40.5 -61.5 -20.7 -20.2 7.2 2.0 63 63 A A T << S+ 0 0 86 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.270 96.7 79.7-111.6 9.1 -22.9 9.8 0.9 64 64 A S S < S- 0 0 96 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.1 0.196 103.4-101.0-101.5 16.3 -21.2 12.9 2.3 65 65 A G S S+ 0 0 50 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.0 -0.735 83.6 23.5 107.4-155.3 -18.7 13.2 -0.6 66 66 A Q S S- 0 0 177 -2,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 -0.260 80.1-121.1 -54.1 127.6 -15.0 12.4 -1.0 67 67 A L - 0 0 22 1,-0.1 -1,-0.1 -5,-0.1 4,-0.1 -0.220 22.1-114.1 -69.4 158.9 -14.0 9.6 1.5 68 68 A P - 0 0 16 0, 0.0 254,-0.4 0, 0.0 255,-0.2 0.041 37.1 -94.6 -76.6-164.3 -11.2 10.1 4.1 69 69 A D S S+ 0 0 28 -55,-1.6 251,-1.9 1,-0.2 2,-0.3 0.817 103.0 20.8 -85.6 -32.9 -8.0 8.1 3.9 70 70 A I E -bC 15 319A 0 -56,-1.9 -54,-2.7 249,-0.2 2,-0.4 -0.981 60.3-162.1-138.6 146.6 -8.9 5.3 6.3 71 71 A V E +bC 16 318A 0 247,-1.7 247,-2.4 -2,-0.3 2,-0.3 -0.999 19.9 168.2-130.3 129.5 -12.2 3.8 7.5 72 72 A G E +bC 17 317A 1 -56,-2.2 -54,-0.7 -2,-0.4 2,-0.2 -0.917 11.1 107.0-137.9 164.8 -12.4 1.7 10.5 73 73 A G E > - C 0 316A 0 243,-1.9 243,-2.1 313,-0.9 3,-0.5 -0.835 57.3 -62.1 151.0 171.7 -15.0 0.2 12.9 74 74 A D T 3 S+ 0 0 15 -2,-0.2 241,-0.2 241,-0.2 -56,-0.1 -0.557 107.1 14.7 -87.5 150.5 -16.9 -2.9 14.1 75 75 A N T 3 S+ 0 0 55 -2,-0.2 240,-0.2 1,-0.1 -1,-0.2 0.850 87.3 119.1 56.4 41.5 -19.3 -4.9 11.9 76 76 A L <> + 0 0 6 238,-1.4 4,-3.1 -3,-0.5 3,-0.4 0.390 32.3 105.6-113.6 -1.1 -18.0 -3.4 8.7 77 77 A K H > S+ 0 0 59 237,-1.9 4,-2.4 1,-0.3 5,-0.2 0.910 83.9 45.8 -45.8 -53.9 -16.7 -6.6 7.0 78 78 A D H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.836 114.3 48.3 -63.4 -32.3 -19.5 -6.8 4.5 79 79 A K H > S+ 0 0 47 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.876 109.7 52.7 -74.8 -36.3 -19.3 -3.1 3.7 80 80 A F H X S+ 0 0 0 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.922 115.5 41.1 -63.3 -43.2 -15.5 -3.4 3.2 81 81 A I H X S+ 0 0 5 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.947 116.2 48.4 -70.5 -48.4 -16.0 -6.2 0.8 82 82 A R H X S+ 0 0 86 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.961 120.8 35.4 -56.2 -55.8 -19.0 -4.7 -1.0 83 83 A Y H <>S+ 0 0 40 -4,-2.6 5,-2.5 1,-0.2 6,-0.8 0.704 110.9 63.6 -73.6 -20.9 -17.5 -1.3 -1.5 84 84 A G H ><5S+ 0 0 3 -4,-1.3 3,-1.6 -5,-0.3 -1,-0.2 0.933 104.0 46.4 -68.0 -44.5 -14.0 -2.7 -2.0 85 85 A M H 3<5S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.690 108.8 58.5 -69.6 -16.2 -15.2 -4.5 -5.2 86 86 A E T 3<5S- 0 0 113 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.439 121.4-109.9 -89.8 -2.8 -16.8 -1.2 -6.1 87 87 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.430 90.4 112.8 90.4 -0.8 -13.4 0.5 -5.9 88 88 A A S + 0 0 0 32,-2.5 4,-2.9 -2,-0.1 5,-0.3 0.499 61.6 99.8-106.9 -6.1 -4.1 -4.8 0.1 93 93 A N H > S+ 0 0 57 31,-0.3 4,-2.3 1,-0.2 5,-0.2 0.899 90.8 36.4 -44.5 -58.7 -2.6 -8.0 -1.2 94 94 A K H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.933 115.5 54.0 -63.5 -49.7 0.4 -6.4 -3.0 95 95 A L H > S+ 0 0 21 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.876 112.3 45.7 -53.5 -41.5 0.9 -3.7 -0.4 96 96 A I H X S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 8,-0.3 0.963 111.0 50.2 -67.1 -54.1 1.2 -6.4 2.3 97 97 A D H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.788 122.2 35.0 -56.5 -28.7 3.5 -8.7 0.4 98 98 A Q H < S+ 0 0 112 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.737 133.4 16.4-101.2 -25.1 5.8 -5.8 -0.4 99 99 A N H < S+ 0 0 39 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.447 108.9 68.5-129.8 -0.1 5.7 -3.5 2.7 100 100 A A X + 0 0 1 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 -0.644 42.3 165.6-127.0 80.3 4.3 -5.3 5.7 101 101 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.818 79.7 54.0 -60.5 -34.1 6.5 -8.1 7.0 102 102 A N H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.934 113.6 41.5 -67.4 -44.8 4.6 -8.5 10.3 103 103 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.880 112.0 55.5 -68.7 -39.3 1.3 -9.0 8.5 104 104 A K H X S+ 0 0 76 -4,-2.6 4,-1.8 -8,-0.3 -2,-0.2 0.937 112.2 43.0 -59.8 -46.0 2.8 -11.2 5.8 105 105 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.931 111.9 54.6 -65.0 -46.0 4.2 -13.5 8.6 106 106 A F H X S+ 0 0 7 -4,-2.4 4,-1.0 1,-0.2 3,-0.2 0.932 110.1 45.8 -52.7 -51.3 0.9 -13.4 10.5 107 107 A F H < S+ 0 0 4 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.847 108.0 56.5 -63.9 -35.6 -1.2 -14.5 7.5 108 108 A K H < S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.9 37.3 -64.2 -36.4 1.2 -17.3 6.6 109 109 A T H < S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.548 121.2 48.8 -90.7 -8.9 0.8 -18.8 10.1 110 110 A H >X + 0 0 41 -4,-1.0 4,-1.8 -5,-0.2 3,-0.6 -0.490 61.4 156.0-129.2 62.7 -2.9 -17.8 10.2 111 111 A P H 3> S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.818 73.8 58.0 -57.4 -35.3 -4.4 -19.1 6.9 112 112 A E H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.876 106.3 49.2 -64.9 -36.9 -7.9 -19.4 8.3 113 113 A V H <> S+ 0 0 0 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.909 109.8 51.0 -68.9 -41.9 -7.8 -15.7 9.1 114 114 A Q H X S+ 0 0 66 -4,-1.8 4,-0.7 -7,-0.3 3,-0.3 0.919 111.8 47.7 -61.9 -43.0 -6.6 -14.7 5.7 115 115 A R H >< S+ 0 0 117 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.935 106.9 57.2 -63.0 -46.1 -9.4 -16.8 4.1 116 116 A A H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 112.4 40.1 -56.2 -33.4 -12.0 -15.2 6.4 117 117 A I H 3< S+ 0 0 0 -4,-1.5 8,-0.6 -3,-0.3 2,-0.3 0.500 91.5 107.7 -96.6 -3.5 -11.2 -11.7 5.2 118 118 A T B << -G 124 0D 39 -3,-1.1 6,-0.2 -4,-0.7 -37,-0.0 -0.571 62.2-135.0 -81.1 136.4 -10.7 -12.4 1.5 119 119 A A > - 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0 0 4 0, 0.0 2,-0.4 0, 0.0 262,-0.1 -0.197 2.6-144.6 -66.5 164.7 -9.4 -11.6 19.1 132 132 A D + 0 0 47 260,-0.1 2,-0.3 258,-0.1 260,-0.1 -0.995 55.7 52.5-133.8 124.9 -7.4 -13.9 21.3 133 133 A G - 0 0 26 -2,-0.4 3,-0.1 258,-0.1 178,-0.0 -0.843 66.2-114.9 141.7-177.6 -9.1 -16.4 23.6 134 134 A L S S+ 0 0 113 1,-0.3 175,-2.2 -2,-0.3 2,-0.1 0.691 85.0 39.6-120.2 -69.1 -11.6 -19.3 23.4 135 135 A V + 0 0 10 173,-0.2 -1,-0.3 1,-0.1 173,-0.2 -0.440 53.3 175.2 -84.3 162.2 -14.8 -18.8 25.3 136 136 A S + 0 0 2 1,-0.5 135,-1.7 171,-0.4 136,-0.2 0.491 55.6 24.5-126.6 -78.2 -16.6 -15.4 25.4 137 137 A R E +I 270 0F 11 133,-0.2 -1,-0.5 134,-0.1 2,-0.3 -0.535 54.8 170.5 -97.6 163.0 -20.0 -15.3 27.1 138 138 A G E -I 269 0F 0 131,-1.8 131,-1.7 -2,-0.2 2,-0.3 -0.964 39.3 -90.2-159.2 162.5 -21.6 -17.4 29.9 139 139 A Y E -IJ 268 293F 3 154,-0.7 154,-2.7 -2,-0.3 2,-0.4 -0.615 38.3-169.1 -82.7 140.9 -24.7 -17.3 32.1 140 140 A F E -IJ 267 292F 0 127,-2.6 127,-2.2 -2,-0.3 2,-0.3 -0.991 4.4-176.5-129.9 139.0 -24.4 -15.5 35.4 141 141 A I E -IJ 266 291F 0 150,-2.6 150,-2.7 -2,-0.4 2,-1.2 -0.956 36.7-101.1-136.9 153.3 -26.9 -15.6 38.3 142 142 A R E > - J 0 290F 0 123,-2.3 4,-1.9 -2,-0.3 148,-0.2 -0.609 33.7-177.3 -75.8 96.1 -27.2 -13.9 41.7 143 143 A Q H > S+ 0 0 44 146,-2.3 4,-2.8 -2,-1.2 -1,-0.2 0.859 82.2 57.0 -62.5 -36.1 -26.2 -16.6 44.1 144 144 A D H > S+ 0 0 29 145,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.874 107.4 48.1 -65.3 -33.5 -26.9 -14.4 47.1 145 145 A W H > S+ 0 0 2 144,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.884 110.4 51.8 -71.6 -37.7 -30.5 -14.0 45.8 146 146 A L H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.3 0.943 113.0 45.6 -61.4 -46.2 -30.7 -17.8 45.3 147 147 A D H ><5S+ 0 0 86 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.927 110.3 52.4 -63.0 -46.9 -29.5 -18.3 48.9 148 148 A K H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 115.5 41.5 -59.2 -35.1 -31.8 -15.7 50.4 149 149 A L T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.350 111.1-121.2 -95.0 5.6 -34.8 -17.3 48.7 150 150 A H T < 5 + 0 0 171 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.888 61.8 147.9 55.6 44.8 -33.6 -20.9 49.5 151 151 A L < - 0 0 45 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.1 -0.872 43.8-129.9-112.1 143.0 -33.6 -21.8 45.9 152 152 A K - 0 0 184 -2,-0.4 11,-0.0 1,-0.1 3,-0.0 -0.485 43.9 -81.3 -85.3 159.6 -31.2 -24.3 44.2 153 153 A T - 0 0 49 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.418 57.3-109.6 -59.2 127.1 -29.3 -23.4 41.0 154 154 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.438 35.8-178.4 -66.9 129.2 -31.7 -23.9 38.2 155 155 A Q + 0 0 79 -2,-0.2 142,-2.9 141,-0.1 2,-0.3 0.580 65.5 32.9-101.2 -16.0 -30.9 -26.9 36.0 156 156 A T B > S-m 297 0G 37 140,-0.3 4,-2.2 1,-0.1 142,-0.2 -0.861 86.1-105.1-134.9 169.9 -33.7 -26.7 33.4 157 157 A V H > S+ 0 0 10 140,-1.4 4,-2.3 -2,-0.3 5,-0.1 0.869 120.6 52.4 -65.6 -36.6 -35.7 -24.0 31.7 158 158 A D H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 110.7 47.2 -65.9 -39.9 -38.7 -24.8 33.9 159 159 A E H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 111.1 52.5 -67.9 -36.6 -36.6 -24.5 37.0 160 160 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.889 105.0 55.1 -65.9 -39.4 -35.2 -21.2 35.7 161 161 A Y H X S+ 0 0 74 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.948 109.1 47.8 -57.7 -48.4 -38.7 -19.9 35.1 162 162 A T H X S+ 0 0 86 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.902 112.6 49.0 -59.0 -43.8 -39.5 -20.5 38.8 163 163 A V H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 112.4 46.2 -64.2 -45.6 -36.3 -18.9 39.9 164 164 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.871 110.9 53.2 -67.5 -34.8 -36.7 -15.8 37.8 165 165 A K H X S+ 0 0 33 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.887 109.0 50.5 -65.4 -36.4 -40.4 -15.5 38.9 166 166 A A H X S+ 0 0 14 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.914 107.3 52.7 -66.1 -43.2 -39.2 -15.6 42.5 167 167 A F H < S+ 0 0 0 -4,-2.2 4,-0.2 1,-0.2 13,-0.2 0.910 113.9 44.9 -57.9 -42.3 -36.6 -12.9 41.9 168 168 A K H < S+ 0 0 70 -4,-2.1 12,-0.3 -5,-0.1 -2,-0.2 0.894 127.1 24.9 -70.5 -40.9 -39.4 -10.8 40.5 169 169 A E H < S+ 0 0 121 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.658 111.2 63.3-102.6 -17.0 -42.1 -11.4 43.2 170 170 A K S < S- 0 0 127 -4,-3.3 -1,-0.1 -5,-0.2 4,-0.1 0.202 92.7-125.9 -98.4 16.8 -40.2 -12.4 46.3 171 171 A D > + 0 0 42 -4,-0.2 3,-1.9 -3,-0.2 5,-0.2 0.890 34.0 179.2 45.3 58.7 -38.3 -9.2 47.0 172 172 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.821 79.1 56.2 -62.0 -29.5 -34.8 -10.7 47.2 173 173 A N T 3 S- 0 0 29 -6,-0.2 -2,-0.1 4,-0.2 -6,-0.0 0.472 105.4-136.5 -80.6 3.3 -33.1 -7.3 47.9 174 174 A G < + 0 0 48 -3,-1.9 -3,-0.1 -4,-0.1 -1,-0.0 0.641 65.4 125.9 54.1 26.7 -35.5 -7.0 50.8 175 175 A N S S- 0 0 68 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.296 79.3-114.4 -95.5 11.6 -36.6 -3.4 50.4 176 176 A G S S+ 0 0 67 -5,-0.2 2,-0.3 1,-0.2 -5,-0.0 0.545 82.9 107.1 71.1 6.9 -40.3 -4.2 50.4 177 177 A K S S- 0 0 131 -6,-0.0 2,-1.6 0, 0.0 3,-0.4 -0.898 75.0-126.6-120.6 149.3 -40.6 -3.1 46.8 178 178 A A + 0 0 91 -2,-0.3 -10,-0.1 1,-0.2 -9,-0.0 -0.575 67.4 124.5 -89.9 71.2 -41.1 -5.0 43.5 179 179 A D + 0 0 40 -2,-1.6 -1,-0.2 2,-0.0 -11,-0.1 0.488 33.6 118.7-107.1 -8.3 -38.1 -3.4 41.8 180 180 A E - 0 0 11 -3,-0.4 84,-0.2 -12,-0.3 83,-0.1 -0.313 46.4-160.8 -64.7 140.0 -36.2 -6.5 40.9 181 181 A I E -k 264 0F 22 82,-4.2 84,-1.7 1,-0.2 85,-0.4 -0.941 6.8-158.1-122.4 102.9 -35.6 -7.2 37.2 182 182 A P E S+ 0 0 0 0, 0.0 84,-1.0 0, 0.0 83,-0.5 0.912 74.1 28.9 -47.5 -61.2 -34.7 -11.0 36.8 183 183 A F E +kl 266 243F 4 59,-2.1 61,-2.5 82,-0.2 2,-0.3 -0.928 69.4 169.4-114.4 124.9 -32.8 -11.0 33.5 184 184 A I - 0 0 0 82,-2.9 84,-0.4 -2,-0.5 2,-0.3 -0.832 5.8-177.7-124.7 163.6 -30.8 -8.0 32.2 185 185 A N - 0 0 0 -2,-0.3 66,-0.4 82,-0.2 65,-0.1 -0.892 33.7-143.1-168.1 135.4 -28.3 -7.6 29.4 186 186 A R S S+ 0 0 44 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.778 94.9 62.7 -62.6 -31.3 -26.0 -5.0 27.8 187 187 A D > - 0 0 35 1,-0.1 3,-1.9 64,-0.1 4,-0.4 -0.887 66.8-157.6-106.7 118.4 -26.9 -6.4 24.3 188 188 A P T >> S+ 0 0 13 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.856 94.6 67.0 -57.0 -33.5 -30.5 -6.3 23.0 189 189 A E H >> S+ 0 0 41 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.706 85.1 71.1 -60.8 -21.5 -29.5 -9.2 20.7 190 190 A E H <> S+ 0 0 2 -3,-1.9 4,-0.6 1,-0.2 -1,-0.3 0.743 86.1 65.3 -68.6 -22.4 -29.1 -11.4 23.8 191 191 A V H X4 S+ 0 0 0 -3,-1.9 3,-0.7 -4,-0.4 -1,-0.2 0.871 101.2 50.7 -67.1 -32.1 -32.9 -11.4 24.3 192 192 A F H X< S+ 0 0 3 -3,-0.6 3,-1.8 -4,-0.5 -1,-0.2 0.851 100.8 62.8 -70.4 -34.3 -33.1 -13.3 20.9 193 193 A R H >< S+ 0 0 2 -4,-1.1 3,-2.1 1,-0.3 -1,-0.2 0.677 82.7 80.0 -66.2 -15.4 -30.5 -15.8 22.2 194 194 A L G X< S+ 0 0 4 -3,-0.7 3,-1.9 -4,-0.6 4,-0.3 0.707 72.1 78.5 -65.6 -15.5 -33.0 -16.8 24.9 195 195 A V G X >S+ 0 0 0 -3,-1.8 5,-2.0 1,-0.3 3,-1.5 0.685 75.2 78.5 -65.7 -12.8 -34.8 -18.9 22.2 196 196 A N G X 5S+ 0 0 2 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.833 80.6 66.1 -61.5 -31.9 -31.9 -21.3 22.9 197 197 A F G < 5S+ 0 0 4 -3,-1.9 102,-1.3 1,-0.3 -1,-0.3 0.725 104.9 44.5 -63.2 -20.2 -33.8 -22.3 26.1 198 198 A W G < 5S- 0 0 40 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 -0.042 127.3 -94.0-115.5 31.0 -36.5 -23.7 23.7 199 199 A G T < 5S+ 0 0 4 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.618 85.9 120.3 72.7 16.2 -34.2 -25.5 21.3 200 200 A A < - 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0 0 66 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.792 12.5-149.4 -89.0 118.1 -47.9 -12.1 17.5 459 459 A P H > S+ 0 0 7 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.844 95.6 51.2 -56.2 -35.3 -45.4 -14.5 16.0 460 460 A E H 4 S+ 0 0 71 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.953 114.8 41.0 -67.0 -49.5 -48.0 -17.2 15.3 461 461 A K H 4 S+ 0 0 171 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.774 121.9 41.3 -70.2 -28.0 -50.4 -14.8 13.5 462 462 A T H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.1 -1,-0.2 0.479 85.3 95.7-100.5 -3.4 -47.7 -13.0 11.6 463 463 A W H X S+ 0 0 16 -4,-1.0 4,-2.5 -3,-0.4 5,-0.2 0.859 85.1 48.9 -57.1 -40.5 -45.5 -15.9 10.6 464 464 A N H > S+ 0 0 130 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.935 112.9 46.6 -66.5 -45.0 -47.0 -16.4 7.1 465 465 A D H > S+ 0 0 85 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.906 112.9 53.1 -60.7 -40.5 -46.8 -12.7 6.2 466 466 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.925 108.6 46.6 -60.1 -50.3 -43.2 -12.8 7.6 467 467 A Q H X S+ 0 0 38 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.872 112.3 52.1 -61.6 -37.3 -42.2 -15.8 5.4 468 468 A Q H X S+ 0 0 112 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.923 110.3 48.0 -65.1 -43.6 -43.8 -14.1 2.4 469 469 A Q H X S+ 0 0 46 -4,-2.5 4,-2.3 1,-0.2 6,-0.2 0.878 107.4 55.9 -65.0 -37.7 -41.9 -10.9 3.1 470 470 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 6,-0.4 0.923 110.9 45.0 -60.6 -42.2 -38.6 -12.9 3.5 471 471 A K H ><5S+ 0 0 144 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.926 113.8 48.2 -66.9 -45.1 -39.2 -14.3 -0.0 472 472 A N H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 110.0 53.6 -65.2 -30.0 -40.1 -11.0 -1.5 473 473 A R T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.429 121.5-106.1 -86.0 -0.1 -37.1 -9.3 0.1 474 474 A G T <>5S+ 0 0 1 -3,-1.3 4,-1.8 -4,-0.2 3,-0.3 0.600 75.4 136.6 88.4 12.6 -34.8 -11.9 -1.4 475 475 A F H > S+ 0 0 88 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.743 106.8 57.9 -69.7 -21.1 -34.3 -17.3 -0.1 477 477 A Q H > S+ 0 0 87 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.905 109.7 46.1 -71.5 -38.9 -32.2 -16.2 -3.1 478 478 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.938 110.4 52.4 -65.6 -46.9 -29.5 -15.5 -0.5 479 479 A M H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.873 106.6 55.3 -57.3 -38.8 -30.0 -18.9 1.2 480 480 A I H X S+ 0 0 94 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.924 110.8 41.7 -62.5 -47.0 -29.7 -20.6 -2.2 481 481 A V H X S+ 0 0 16 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.874 111.8 56.8 -69.6 -35.3 -26.3 -19.1 -3.0 482 482 A M H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.919 109.5 45.7 -60.5 -42.5 -25.1 -19.6 0.6 483 483 A Q H X S+ 0 0 44 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.899 111.5 51.5 -68.2 -40.4 -25.9 -23.3 0.2 484 484 A K H X S+ 0 0 118 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.931 110.7 47.8 -61.8 -45.8 -24.2 -23.6 -3.2 485 485 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -60,-0.4 0.859 111.3 52.9 -62.6 -35.7 -21.0 -22.0 -1.9 486 486 A Y H X S+ 0 0 32 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.917 105.4 52.3 -66.3 -44.8 -21.2 -24.4 1.1 487 487 A D H < S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 103.2 61.1 -63.4 -26.8 -21.4 -27.4 -1.1 488 488 A R H < S+ 0 0 118 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.949 109.6 38.8 -65.1 -49.1 -18.3 -26.3 -3.0 489 489 A Q H < 0 0 73 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.1 0.960 360.0 360.0 -65.3 -52.7 -16.1 -26.4 0.1 490 490 A Y < 0 0 163 -4,-2.3 -1,-0.3 -274,-0.1 -2,-0.2 -0.511 360.0 360.0-109.9 360.0 -17.6 -29.6 1.6