==== 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 TRANSFERASE 24-AUG-08 3E9Y . COMPND 2 MOLECULE: ACETOLACTATE SYNTHASE, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR L.W.GUDDAT,R.G.DUGGLEBY,J.-G.WANG,Z.-M.LI . 582 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.5 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 . 1 0.2 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 . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 3 2 1 1 3 3 2 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 4 3 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 87 A F 0 0 136 0, 0.0 2,-0.5 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 124.7 78.5 98.9 42.4 2 88 A I - 0 0 160 2,-0.0 2,-0.1 1,-0.0 0, 0.0 -0.815 360.0-155.2 -93.6 124.4 80.9 99.5 39.5 3 89 A S - 0 0 34 -2,-0.5 3,-0.0 2,-0.2 -1,-0.0 -0.430 20.1-136.4 -86.7 166.2 79.5 98.9 36.0 4 90 A R S S+ 0 0 83 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.285 87.4 64.1-100.1 6.1 81.5 98.1 32.8 5 91 A F S S- 0 0 43 6,-0.0 -2,-0.2 2,-0.0 6,-0.1 -0.952 89.4-105.2-131.9 148.4 79.4 100.6 30.9 6 92 A A > - 0 0 39 -2,-0.3 3,-1.9 1,-0.1 -2,-0.1 -0.455 33.9-120.1 -67.1 142.5 78.9 104.4 31.0 7 93 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.733 114.3 42.6 -57.3 -24.2 75.5 105.5 32.5 8 94 A D T 3 S+ 0 0 126 2,-0.1 170,-0.0 170,-0.0 -2,-0.0 0.319 95.7 101.3-103.4 5.3 74.5 107.2 29.2 9 95 A Q < - 0 0 80 -3,-1.9 168,-0.1 168,-0.0 2,-0.0 -0.827 65.8-131.7-106.5 124.3 75.8 104.4 26.9 10 96 A P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 168,-0.2 -0.289 30.1 169.6 -65.9 151.0 73.6 101.8 25.2 11 97 A R E -A 177 0A 12 166,-2.0 166,-2.5 164,-0.1 5,-0.1 -0.956 37.9 -70.0-154.5 169.7 74.4 98.0 25.2 12 98 A K E > -A 176 0A 70 -2,-0.3 4,-1.5 164,-0.2 3,-0.2 -0.173 36.9-121.0 -63.5 152.2 72.9 94.7 24.3 13 99 A G H > S+ 0 0 0 162,-0.7 4,-2.5 159,-0.5 160,-0.2 0.847 115.8 59.3 -59.3 -36.2 70.0 93.1 26.3 14 100 A A H > S+ 0 0 0 159,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.887 105.5 48.3 -58.4 -42.1 72.3 90.2 27.0 15 101 A D H > S+ 0 0 8 158,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.786 109.6 52.6 -70.3 -30.5 74.8 92.6 28.6 16 102 A I H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.936 108.1 50.8 -68.0 -46.0 72.0 94.1 30.7 17 103 A L H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.878 110.0 49.3 -59.2 -42.7 70.8 90.7 32.0 18 104 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 3,-0.2 0.932 112.0 47.8 -64.5 -45.0 74.4 89.7 33.1 19 105 A E H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.893 107.0 57.7 -61.6 -39.7 74.8 93.0 34.9 20 106 A A H < S+ 0 0 4 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.860 108.5 46.9 -56.1 -37.3 71.4 92.4 36.5 21 107 A L H >X>S+ 0 0 0 -4,-1.5 5,-2.0 -3,-0.2 3,-1.2 0.918 110.6 50.7 -70.6 -44.9 72.9 89.1 37.8 22 108 A E H ><5S+ 0 0 21 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.868 107.2 55.2 -58.3 -38.1 76.1 90.8 39.1 23 109 A R T 3<5S+ 0 0 94 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.594 103.9 55.2 -72.5 -13.3 74.0 93.4 40.9 24 110 A Q T <45S- 0 0 77 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.525 122.9-104.9 -93.3 -9.8 72.2 90.6 42.7 25 111 A G T <<5 + 0 0 49 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.567 61.5 164.0 94.7 13.2 75.5 89.2 44.0 26 112 A V < + 0 0 10 -5,-2.0 -1,-0.3 1,-0.2 3,-0.1 -0.437 12.2 165.5 -64.6 130.4 75.7 86.2 41.6 27 113 A E + 0 0 107 1,-0.3 24,-3.0 -2,-0.2 2,-0.4 0.530 63.0 38.3-119.0 -19.1 79.1 84.7 41.4 28 114 A T E +b 51 0B 9 22,-0.2 49,-0.4 24,-0.0 2,-0.3 -0.998 55.1 179.8-140.6 134.4 78.4 81.4 39.7 29 115 A V E -b 52 0B 0 22,-2.4 24,-2.5 -2,-0.4 2,-0.5 -0.903 22.3-142.4-121.4 158.4 76.1 80.2 36.9 30 116 A F E +c 78 0C 3 47,-1.4 49,-1.9 -2,-0.3 2,-0.4 -0.920 38.5 167.6-118.7 100.2 75.6 76.8 35.4 31 117 A A E -c 79 0C 0 -2,-0.5 49,-0.2 22,-0.5 -2,-0.1 -0.958 28.6-166.5-129.6 130.2 75.1 77.4 31.7 32 118 A Y - 0 0 81 47,-1.7 49,-0.4 -2,-0.4 24,-0.1 -0.964 30.6-128.2-112.8 124.7 75.0 75.2 28.6 33 119 A P + 0 0 64 0, 0.0 2,-0.3 0, 0.0 48,-0.1 -0.309 36.2 149.5 -82.0 155.7 75.2 77.2 25.3 34 120 A G >> - 0 0 20 46,-0.1 3,-1.6 1,-0.1 4,-1.0 -0.957 57.7 -73.7-165.4 176.5 73.0 77.0 22.2 35 121 A G G >4 S+ 0 0 37 -2,-0.3 3,-0.5 1,-0.3 4,-0.3 0.850 124.8 42.6 -46.0 -50.7 71.6 79.0 19.3 36 122 A A G 34 S+ 0 0 8 1,-0.2 73,-0.5 72,-0.1 -1,-0.3 0.461 120.8 40.3 -83.9 -3.3 69.0 81.0 21.3 37 123 A S G X> S+ 0 0 0 -3,-1.6 4,-1.9 71,-0.2 3,-0.5 0.327 78.3 107.0-125.8 4.5 71.3 81.8 24.3 38 124 A M H S+ 0 0 26 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.872 106.2 49.8 -56.6 -42.8 74.4 86.2 23.3 40 126 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.908 111.4 49.1 -61.6 -43.9 74.0 85.6 27.0 41 127 A H H X S+ 0 0 26 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.815 110.8 50.8 -66.0 -32.0 77.1 83.3 26.9 42 128 A Q H X S+ 0 0 99 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.924 111.5 46.8 -68.9 -45.3 79.0 86.0 25.0 43 129 A A H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.867 107.7 59.6 -62.2 -37.7 78.0 88.6 27.6 44 130 A L H >< S+ 0 0 12 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.875 98.5 56.4 -57.2 -42.8 79.0 86.1 30.3 45 131 A T H 3< S+ 0 0 109 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 103.2 55.2 -63.9 -30.0 82.6 85.9 29.0 46 132 A R T 3< S+ 0 0 99 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.371 89.8 93.2 -88.9 8.3 83.0 89.7 29.4 47 133 A S < - 0 0 13 -3,-1.6 -28,-0.0 3,-0.2 -32,-0.0 -0.805 55.7-167.6 -91.8 140.6 82.0 89.5 33.1 48 134 A S S S+ 0 0 121 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.0 0.606 81.8 47.6-102.0 -14.3 84.9 89.2 35.5 49 135 A S S S+ 0 0 67 1,-0.1 2,-0.6 -23,-0.0 -1,-0.1 0.722 97.4 70.9-101.3 -24.7 82.9 88.3 38.7 50 136 A I - 0 0 12 -6,-0.2 2,-0.3 -22,-0.1 -22,-0.2 -0.842 64.8-160.9 -96.5 121.6 80.6 85.6 37.4 51 137 A R E -b 28 0B 105 -24,-3.0 -22,-2.4 -2,-0.6 2,-0.5 -0.802 9.3-141.0 -97.8 146.4 82.1 82.2 36.6 52 138 A N E -b 29 0B 53 -2,-0.3 2,-0.7 -24,-0.2 -22,-0.2 -0.923 5.5-159.1-107.3 125.2 80.3 79.7 34.5 53 139 A V - 0 0 1 -24,-2.5 -22,-0.5 -2,-0.5 411,-0.0 -0.926 17.6-146.9-100.1 111.3 80.5 76.0 35.2 54 140 A L - 0 0 61 -2,-0.7 -22,-0.1 -24,-0.2 414,-0.1 -0.713 13.0-161.0 -81.6 116.4 79.7 74.1 32.0 55 141 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 406,-0.1 -0.249 22.7-126.4 -82.9-179.5 77.8 70.9 32.6 56 142 A R S S+ 0 0 90 1,-0.4 2,-0.3 402,-0.1 405,-0.1 0.562 96.8 21.2-105.8 -12.7 77.5 68.1 30.0 57 143 A H S >> S- 0 0 66 401,-0.1 4,-1.5 31,-0.0 3,-1.1 -0.957 80.6-124.8-150.6 141.1 73.7 67.9 30.1 58 144 A E H 3> S+ 0 0 22 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.671 109.7 63.9 -70.6 -17.2 71.5 70.6 31.3 59 145 A Q H 3> S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.836 103.5 51.0 -67.7 -33.9 69.7 68.4 33.8 60 146 A G H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.934 106.8 55.8 -59.4 -48.7 73.2 68.3 35.4 61 147 A G H X S+ 0 0 2 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.903 110.4 42.0 -48.1 -52.5 73.1 72.1 35.1 62 148 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.942 115.2 47.8 -66.7 -51.0 69.9 72.4 37.2 63 149 A F H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.835 110.7 54.3 -60.8 -32.6 70.8 69.8 39.8 64 150 A A H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.898 107.7 49.1 -63.7 -41.9 74.1 71.6 40.1 65 151 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.841 110.9 51.3 -66.2 -33.1 72.4 74.9 40.8 66 152 A E H X S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 5,-0.2 0.896 108.6 49.9 -68.3 -43.2 70.2 73.1 43.4 67 153 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.948 112.2 49.0 -57.5 -49.4 73.3 71.7 45.0 68 154 A Y H < S+ 0 0 7 -4,-2.6 6,-0.4 1,-0.2 -2,-0.2 0.925 116.5 42.3 -52.9 -50.5 74.7 75.2 45.0 69 155 A A H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.2 0.930 114.5 48.5 -67.0 -48.6 71.5 76.6 46.5 70 156 A R H 3< S+ 0 0 20 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.765 112.4 48.5 -64.3 -29.8 70.9 73.8 49.1 71 157 A S T 3< S+ 0 0 6 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.274 124.5 25.1 -97.6 10.4 74.4 73.9 50.5 72 158 A S T <4 S- 0 0 40 -3,-1.2 -2,-0.2 2,-0.2 -3,-0.1 0.542 91.1-120.7-144.5 -29.0 74.7 77.7 51.0 73 159 A G S < S+ 0 0 36 -4,-2.3 -4,-0.1 1,-0.4 -3,-0.1 0.305 78.6 114.9 88.2 -9.2 71.3 79.4 51.4 74 160 A K S S- 0 0 83 -6,-0.4 -1,-0.4 -5,-0.2 2,-0.2 -0.468 77.7 -95.4 -80.9 160.3 72.0 81.5 48.3 75 161 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.606 34.7-128.5 -78.2 143.7 69.9 81.1 45.1 76 162 A G E - d 0 103C 0 26,-2.2 28,-2.7 -2,-0.2 2,-0.5 -0.765 21.1-155.3 -91.0 135.6 71.2 78.7 42.4 77 163 A I E + d 0 104C 5 -49,-0.4 -47,-1.4 -2,-0.4 2,-0.3 -0.941 15.6 172.6-116.6 129.2 71.3 80.1 38.9 78 164 A C E -cd 30 105C 1 26,-1.9 28,-2.6 -2,-0.5 2,-0.4 -0.981 11.8-159.6-132.0 148.4 71.2 78.0 35.6 79 165 A I E +cd 31 106C 3 -49,-1.9 -47,-1.7 -2,-0.3 2,-0.3 -0.970 13.3 171.6-128.7 141.8 71.0 79.1 32.0 80 166 A A E - d 0 107C 0 26,-2.3 28,-2.4 -2,-0.4 -46,-0.1 -0.965 29.8-109.8-144.2 158.6 69.9 77.1 28.9 81 167 A T > - 0 0 9 -49,-0.4 5,-0.6 -2,-0.3 -46,-0.0 -0.158 50.5 -78.9 -75.0 178.8 69.1 77.6 25.2 82 168 A S T > 5S+ 0 0 4 3,-0.2 3,-1.7 25,-0.1 -1,-0.2 -0.101 94.6 3.1 -68.4 174.7 65.6 77.4 23.7 83 169 A G T 3>5S+ 0 0 3 1,-0.3 4,-2.6 38,-0.3 5,-0.2 -0.207 135.7 17.7 55.4-114.6 63.7 74.1 22.9 84 170 A P H 3>5S+ 0 0 64 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.828 127.3 54.7 -64.1 -33.2 65.7 71.0 24.0 85 171 A G H <45S+ 0 0 1 -3,-1.7 4,-0.3 2,-0.2 3,-0.3 0.967 112.2 43.8 -58.9 -52.8 67.9 73.1 26.3 86 172 A A H >4< S+ 0 0 55 -4,-2.6 3,-1.3 1,-0.3 4,-0.3 0.785 99.5 65.7 -62.9 -27.6 62.9 71.2 28.4 88 174 A N T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 -3,-0.3 4,-0.2 0.608 95.1 59.6 -70.7 -10.8 66.0 69.4 29.9 89 175 A L T X> S+ 0 0 1 -3,-1.8 4,-1.8 -4,-0.3 3,-1.0 0.638 78.8 95.4 -82.9 -16.9 65.6 71.8 32.9 90 176 A V H <> S+ 0 0 39 -3,-1.3 4,-2.4 -4,-0.3 5,-0.2 0.800 80.0 49.2 -54.0 -44.5 62.1 70.5 33.7 91 177 A S H 3> S+ 0 0 51 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.859 110.8 52.3 -62.9 -36.5 63.0 67.8 36.3 92 178 A G H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.2 -1,-0.2 0.903 109.8 47.5 -66.0 -44.0 65.2 70.3 38.2 93 179 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.957 112.6 48.2 -61.8 -51.9 62.5 72.9 38.4 94 180 A A H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.885 113.6 49.7 -56.0 -39.7 59.9 70.4 39.6 95 181 A D H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 329,-0.2 0.924 110.2 49.2 -63.7 -47.5 62.4 69.2 42.1 96 182 A A H <>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 4,-0.4 0.817 110.6 50.8 -64.0 -34.3 63.2 72.7 43.4 97 183 A L H ><5S+ 0 0 54 -4,-2.4 3,-0.8 35,-0.3 -1,-0.2 0.935 110.4 47.2 -69.8 -46.0 59.5 73.6 43.8 98 184 A L H 3<5S+ 0 0 64 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.786 119.6 39.4 -68.4 -28.5 58.6 70.5 45.8 99 185 A D T 3<5S- 0 0 16 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.361 111.2-118.4-101.8 2.2 61.6 70.9 48.1 100 186 A S T < 5 + 0 0 32 -3,-0.8 62,-0.2 -4,-0.4 -3,-0.2 0.941 51.8 166.8 58.7 54.3 61.3 74.7 48.3 101 187 A V < - 0 0 7 -5,-3.2 2,-0.4 -6,-0.1 -1,-0.2 -0.875 39.1-121.7-102.9 123.5 64.8 75.4 46.8 102 188 A P + 0 0 15 0, 0.0 -26,-2.2 0, 0.0 2,-0.4 -0.500 47.4 160.6 -65.6 118.3 65.6 79.0 45.7 103 189 A L E -de 76 163C 0 59,-1.7 61,-2.5 -2,-0.4 2,-0.5 -1.000 31.6-160.6-143.4 137.2 66.4 78.8 41.9 104 190 A V E -de 77 164C 0 -28,-2.7 -26,-1.9 -2,-0.4 2,-0.5 -0.977 15.2-170.2-117.1 117.2 66.6 81.3 39.0 105 191 A A E -de 78 165C 0 59,-3.0 61,-3.2 -2,-0.5 2,-0.5 -0.925 1.9-167.0-108.3 126.4 66.4 79.6 35.6 106 192 A I E -de 79 166C 0 -28,-2.6 -26,-2.3 -2,-0.5 2,-0.4 -0.956 7.7-176.6-112.9 127.9 67.1 81.7 32.5 107 193 A T E -de 80 167C 0 59,-2.4 61,-3.4 -2,-0.5 -26,-0.2 -0.983 22.5-130.3-123.9 137.1 66.3 80.3 29.0 108 194 A G E - e 0 168C 0 -28,-2.4 2,-0.3 -2,-0.4 -71,-0.2 -0.396 29.4-165.5 -67.9 158.4 66.9 81.8 25.6 109 195 A Q E - e 0 169C 6 59,-1.6 61,-2.3 -73,-0.5 3,-0.1 -0.953 28.4 -85.7-143.5 159.0 63.9 81.8 23.3 110 196 A V - 0 0 9 -2,-0.3 5,-0.1 59,-0.2 11,-0.0 -0.217 68.7 -73.6 -56.5 156.7 63.2 82.2 19.5 111 197 A P > - 0 0 38 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.299 48.2-112.0 -58.3 144.5 62.8 85.9 18.4 112 198 A R G > S+ 0 0 85 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.779 113.8 63.6 -49.3 -40.7 59.5 87.4 19.5 113 199 A R G 3 S+ 0 0 213 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.576 107.5 45.4 -64.5 -7.6 58.1 87.7 16.0 114 200 A M G X >S+ 0 0 58 -3,-2.7 3,-2.0 2,-0.0 5,-0.5 0.387 75.9 124.8-117.5 -0.2 58.3 83.8 15.8 115 201 A I T < 5S+ 0 0 58 -3,-1.5 -3,-0.0 -4,-0.3 -6,-0.0 -0.489 81.5 21.1 -63.9 120.7 56.8 82.8 19.1 116 202 A G T 3 5S+ 0 0 58 -2,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.361 96.9 96.6 102.6 -2.0 53.9 80.4 18.3 117 203 A T T < 5S- 0 0 82 -3,-2.0 -2,-0.1 0, 0.0 -4,-0.0 0.300 96.4-113.2-100.5 8.9 55.0 79.4 14.8 118 204 A D T 5 - 0 0 147 -4,-0.2 3,-0.1 1,-0.1 -3,-0.1 0.916 56.1-178.5 53.8 47.5 56.8 76.2 15.8 119 205 A A > < - 0 0 19 -5,-0.5 3,-1.7 1,-0.2 2,-0.2 -0.030 40.1 -55.3 -69.1 174.6 60.1 77.8 14.8 120 206 A F T 3 S- 0 0 174 1,-0.3 -1,-0.2 -37,-0.0 -37,-0.0 -0.360 126.0 -5.9 -56.0 119.4 63.5 76.1 15.0 121 207 A Q T 3 S+ 0 0 64 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.864 96.3 157.4 58.8 42.2 64.0 74.9 18.5 122 208 A E < + 0 0 34 -3,-1.7 -1,-0.2 -40,-0.2 -13,-0.1 -0.831 12.9 164.4-100.4 136.1 60.8 76.5 19.8 123 209 A T - 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0 0 72 -53,-0.3 -51,-3.1 -2,-0.2 2,-0.5 -0.678 38.2-165.5 -73.4 123.0 84.6 67.7 52.1 446 532 A V E +mo 394 472F 0 25,-0.6 27,-3.1 -2,-0.5 2,-0.4 -0.966 8.8 179.8-118.7 117.2 81.9 66.9 49.6 447 533 A V E -mo 395 473F 0 -53,-3.0 -51,-2.0 -2,-0.5 2,-0.8 -0.971 18.6-153.0-123.0 127.6 80.8 63.3 49.3 448 534 A D E -mo 396 474F 0 25,-3.3 27,-1.6 -2,-0.4 2,-1.2 -0.864 6.9-160.7-100.1 101.6 78.1 62.0 46.9 449 535 A I E +mo 397 475F 0 -53,-2.4 -51,-1.0 -2,-0.8 2,-0.2 -0.724 32.7 169.7 -80.0 98.2 76.6 58.8 48.5 450 536 A D E - o 0 476F 1 -2,-1.2 27,-2.7 25,-1.1 2,-0.3 -0.725 33.8-131.9-118.3 159.4 75.1 57.5 45.3 451 537 A G E > - o 0 477F 6 -2,-0.2 4,-3.8 25,-0.2 5,-0.2 -0.791 28.9-116.5-106.6 155.4 73.5 54.2 44.0 452 538 A D H > S+ 0 0 5 25,-0.7 4,-1.5 -2,-0.3 5,-0.1 0.824 116.0 51.5 -63.5 -32.0 74.5 52.5 40.7 453 539 A G H > S+ 0 0 8 28,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.949 118.9 35.4 -63.4 -50.9 71.1 53.1 39.3 454 540 A S H > S+ 0 0 4 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.889 113.1 58.7 -71.2 -42.7 71.1 56.8 40.1 455 541 A F H >< S+ 0 0 1 -4,-3.8 3,-1.0 1,-0.2 -3,-0.2 0.917 103.1 51.5 -56.2 -48.9 74.9 57.4 39.4 456 542 A I H >< S+ 0 0 69 -4,-1.5 3,-1.5 1,-0.2 4,-0.3 0.800 95.5 71.3 -61.4 -32.5 74.7 56.2 35.8 457 543 A M H 3< S+ 0 0 100 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.832 117.3 19.4 -54.1 -39.9 71.8 58.6 34.9 458 544 A N T X< S+ 0 0 4 -3,-1.0 3,-1.6 -4,-0.8 -1,-0.3 -0.144 82.6 129.3-125.2 40.0 74.1 61.6 35.2 459 545 A V G X + 0 0 24 -3,-1.5 3,-2.1 1,-0.3 4,-0.3 0.751 59.6 77.4 -64.0 -25.0 77.5 59.9 34.8 460 546 A Q G > S+ 0 0 54 1,-0.3 3,-1.3 -4,-0.3 4,-0.5 0.723 78.1 73.8 -59.8 -20.0 78.4 62.4 32.1 461 547 A E G <> S+ 0 0 1 -3,-1.6 4,-2.4 1,-0.3 -1,-0.3 0.531 73.3 80.5 -75.8 -4.8 79.0 65.0 34.8 462 548 A L H <> S+ 0 0 3 -3,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.841 88.4 58.0 -64.6 -33.3 82.3 63.3 35.7 463 549 A A H <> S+ 0 0 26 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.2 0.917 107.2 47.7 -55.3 -44.7 83.6 65.2 32.7 464 550 A T H > S+ 0 0 1 -4,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.933 108.4 52.5 -63.8 -51.5 82.5 68.4 34.6 465 551 A I H <>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.924 115.1 41.6 -50.3 -52.1 84.1 67.4 37.9 466 552 A R H ><5S+ 0 0 72 -4,-2.1 3,-2.0 3,-0.2 -2,-0.2 0.962 115.9 46.7 -63.5 -55.4 87.5 66.7 36.4 467 553 A V H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 115.8 46.4 -57.9 -38.9 87.6 69.7 34.0 468 554 A E T 3<5S- 0 0 38 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.360 108.3-131.6 -83.9 3.9 86.4 72.1 36.8 469 555 A N T < 5 + 0 0 117 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.844 45.1 166.2 45.9 50.0 89.0 70.4 39.0 470 556 A L < - 0 0 10 -5,-2.3 2,-1.7 -6,-0.2 -1,-0.2 -0.780 43.2-129.4 -99.9 136.4 86.6 69.9 41.9 471 557 A P + 0 0 42 0, 0.0 -25,-0.6 0, 0.0 2,-0.4 -0.209 46.2 159.9 -80.7 48.9 87.3 67.6 44.9 472 558 A V E -o 446 0F 1 -2,-1.7 77,-1.8 -27,-0.1 2,-0.5 -0.576 27.1-154.1 -73.0 124.0 84.0 65.7 44.7 473 559 A K E -op 447 549F 15 -27,-3.1 -25,-3.3 -2,-0.4 2,-0.6 -0.891 5.2-156.5 -98.8 129.0 84.3 62.3 46.5 474 560 A V E -op 448 550F 3 75,-3.3 77,-3.0 -2,-0.5 2,-0.9 -0.912 10.1-171.7-110.5 112.4 81.9 59.7 45.2 475 561 A L E -op 449 551F 0 -27,-1.6 -25,-1.1 -2,-0.6 2,-0.7 -0.809 16.3-164.4 -99.7 92.0 80.9 56.8 47.6 476 562 A L E -op 450 552F 0 75,-2.0 77,-3.3 -2,-0.9 2,-1.3 -0.691 12.5-156.5 -86.9 111.0 79.0 54.5 45.2 477 563 A L E -op 451 553F 7 -27,-2.7 2,-0.8 -2,-0.7 -25,-0.7 -0.704 20.0-165.2 -85.3 90.4 77.0 51.9 47.0 478 564 A N E + p 0 554F 0 75,-2.3 77,-2.0 -2,-1.3 -27,-0.1 -0.696 29.8 151.9 -89.0 103.6 76.8 49.4 44.2 479 565 A N - 0 0 20 -2,-0.8 -1,-0.1 2,-0.3 23,-0.1 0.158 55.6-122.6-116.7 17.3 74.2 46.7 44.6 480 566 A Q S S+ 0 0 21 1,-0.1 22,-3.2 22,-0.1 23,-0.8 0.505 80.5 80.8 61.6 7.9 73.5 45.9 40.9 481 567 A H B S-R 501 0G 16 20,-0.2 2,-1.6 21,-0.2 -28,-0.4 -0.928 91.3-107.2-139.8 158.2 69.8 46.7 41.4 482 568 A L > - 0 0 50 18,-2.6 4,-2.1 -2,-0.3 3,-0.5 -0.725 51.7-171.9 -77.8 82.6 67.1 49.4 41.6 483 569 A G H > S+ 0 0 8 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.813 70.3 52.5 -56.0 -47.0 67.1 48.6 45.3 484 570 A M H > S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 114.7 43.8 -60.3 -40.5 64.1 50.6 46.5 485 571 A V H > S+ 0 0 80 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.879 112.7 53.8 -69.6 -38.8 61.9 49.1 43.8 486 572 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.852 104.5 54.4 -62.9 -39.4 63.3 45.6 44.6 487 573 A Q H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.929 111.6 43.8 -61.0 -47.5 62.5 46.0 48.3 488 574 A W H X>S+ 0 0 79 -4,-1.5 4,-1.7 1,-0.2 5,-0.5 0.841 111.0 55.9 -65.5 -35.2 58.8 46.7 47.5 489 575 A E H X5S+ 0 0 13 -4,-2.0 6,-1.6 1,-0.2 4,-1.5 0.906 108.3 48.9 -59.7 -43.7 59.0 43.8 44.9 490 576 A D H <5S+ 0 0 27 -4,-2.3 -2,-0.2 5,-0.2 -1,-0.2 0.817 118.5 37.0 -66.7 -34.7 60.1 41.5 47.7 491 577 A R H <5S+ 0 0 70 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.596 131.6 20.8-100.3 -13.3 57.4 42.5 50.2 492 578 A F H <5S+ 0 0 84 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.564 123.1 45.9-129.9 -19.4 54.4 43.0 48.0 493 579 A Y S >< S+ 0 0 95 1,-0.1 3,-1.6 -3,-0.1 -3,-0.4 -0.572 81.4 171.7-105.5 65.4 77.7 37.5 32.8 508 594 A E T 3 S+ 0 0 58 -2,-0.6 -1,-0.1 -3,-0.5 4,-0.1 0.542 71.8 46.5 -60.6 -14.6 75.3 37.5 35.9 509 595 A D T 3 S+ 0 0 166 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.583 90.5 95.9-103.0 -15.0 78.1 37.5 38.6 510 596 A E S < S- 0 0 125 -3,-1.6 -6,-0.5 -6,-0.2 2,-0.4 -0.621 85.6-112.3 -77.0 131.3 80.3 40.2 37.0 511 597 A I - 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