==== 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 OXIDOREDUCTASE, TRANSFERASE 11-DEC-06 2O7S . COMPND 2 MOLECULE: BIFUNCTIONAL 3-DEHYDROQUINATE DEHYDRATASE/SHIKIMA . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR D.CHRISTENDAT,S.A.SINGH . 500 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 34 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 1 0 2 3 0 0 3 3 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 3 4 1 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 . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 90 A V 0 0 48 0, 0.0 176,-0.1 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 118.5 52.4 35.2 54.5 2 91 A K + 0 0 189 174,-0.1 195,-0.1 3,-0.0 3,-0.1 -0.170 360.0 27.4 58.4-142.0 56.1 36.2 54.7 3 92 A N S S- 0 0 129 1,-0.1 3,-0.1 194,-0.0 194,-0.0 0.083 88.5 -88.3 -53.1 156.7 57.4 39.1 56.7 4 93 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.232 62.0 -81.5 -61.3 160.7 55.9 40.5 59.9 5 94 A S - 0 0 2 222,-0.1 195,-0.3 -3,-0.1 194,-0.2 -0.397 41.4-133.7 -70.4 139.3 53.3 43.2 59.3 6 95 A L E -a 200 0A 48 193,-1.9 195,-1.9 -2,-0.1 2,-0.6 -0.437 14.4-126.6 -84.1 162.7 54.4 46.8 58.7 7 96 A I E -a 201 0A 0 193,-0.2 25,-2.9 23,-0.1 26,-1.5 -0.960 25.5-168.0-117.0 116.5 52.7 49.8 60.4 8 97 A C E -ab 202 33A 0 193,-2.9 195,-2.3 -2,-0.6 26,-0.2 -0.885 10.3-146.9-108.6 132.7 51.5 52.5 58.1 9 98 A A E - b 0 34A 0 24,-2.4 26,-2.3 -2,-0.4 2,-0.2 -0.853 16.4-131.5-100.7 121.3 50.4 56.0 59.2 10 99 A P E - b 0 35A 0 0, 0.0 2,-0.6 0, 0.0 195,-0.4 -0.522 17.9-156.6 -70.8 133.4 47.5 57.7 57.3 11 100 A V E + b 0 36A 0 24,-3.2 26,-2.6 -2,-0.2 29,-0.2 -0.944 28.9 152.4-115.2 111.3 48.4 61.3 56.4 12 101 A M + 0 0 27 -2,-0.6 -1,-0.1 24,-0.1 7,-0.1 0.234 14.0 142.5-124.3 12.9 45.4 63.5 55.8 13 102 A A - 0 0 12 1,-0.1 27,-0.1 5,-0.1 6,-0.1 -0.215 54.7-125.8 -53.9 148.6 46.4 67.1 56.7 14 103 A D S S+ 0 0 75 27,-0.2 28,-2.2 4,-0.1 29,-0.7 0.385 86.4 51.4 -83.1 4.8 44.7 69.6 54.3 15 104 A S S > S- 0 0 33 26,-0.2 4,-1.8 27,-0.1 5,-0.1 -0.973 80.2-122.9-138.5 155.1 48.0 71.3 53.2 16 105 A I H > S+ 0 0 26 -2,-0.3 4,-2.1 27,-0.2 5,-0.2 0.913 111.3 52.8 -62.0 -45.0 51.3 70.1 51.8 17 106 A D H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 110.2 48.5 -59.5 -39.4 53.3 71.8 54.6 18 107 A K H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.846 108.5 53.7 -70.6 -33.7 51.2 70.1 57.3 19 108 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.882 105.3 54.5 -67.5 -37.1 51.6 66.7 55.6 20 109 A V H X S+ 0 0 18 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.924 108.7 48.1 -61.4 -43.1 55.3 67.1 55.6 21 110 A I H X S+ 0 0 117 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.858 109.8 53.7 -65.3 -35.0 55.2 67.7 59.4 22 111 A E H X S+ 0 0 14 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.880 103.8 53.9 -69.1 -37.1 52.9 64.7 59.8 23 112 A T H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.875 108.5 51.2 -64.6 -33.6 55.4 62.4 57.9 24 113 A S H X S+ 0 0 45 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.923 109.8 48.5 -66.4 -44.4 58.0 63.5 60.4 25 114 A K H X S+ 0 0 88 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.852 106.3 57.6 -64.1 -35.2 55.8 62.7 63.4 26 115 A A H X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-1.1 0.906 108.5 47.1 -61.6 -40.1 55.0 59.3 61.9 27 116 A H H ><5S+ 0 0 106 -4,-1.5 3,-0.7 2,-0.2 -2,-0.2 0.942 110.4 51.2 -65.6 -48.6 58.8 58.6 61.9 28 117 A E H 3<5S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 109.8 51.6 -55.3 -41.7 59.2 59.8 65.5 29 118 A L H 3<5S- 0 0 46 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.708 121.1-103.3 -71.6 -24.1 56.3 57.6 66.6 30 119 A G T <<5 + 0 0 27 -4,-1.1 -3,-0.2 -3,-0.7 -23,-0.1 0.541 62.8 154.6 113.4 8.0 57.7 54.4 65.0 31 120 A A < - 0 0 5 -5,-2.3 -1,-0.2 -6,-0.2 -23,-0.2 -0.308 38.6-145.0 -66.9 154.0 55.7 53.9 61.9 32 121 A D S S- 0 0 49 -25,-2.9 2,-0.3 1,-0.2 -24,-0.2 0.737 75.7 -9.1 -90.5 -27.3 57.2 52.0 59.0 33 122 A L E -b 8 0A 3 -26,-1.5 -24,-2.4 26,-0.2 2,-0.4 -0.942 65.2-123.3-158.2 174.3 55.6 54.0 56.2 34 123 A V E -bc 9 61A 0 26,-1.7 28,-1.9 -2,-0.3 2,-0.7 -0.977 9.1-141.5-131.8 144.9 53.0 56.6 55.5 35 124 A E E -bc 10 62A 3 -26,-2.3 -24,-3.2 -2,-0.4 2,-0.8 -0.926 17.8-149.7-105.0 114.0 49.9 56.7 53.3 36 125 A I E -bc 11 63A 0 26,-3.2 28,-2.5 -2,-0.7 2,-1.5 -0.746 3.9-154.9 -86.1 111.1 49.5 60.1 51.7 37 126 A R E > + c 0 64A 19 -26,-2.6 3,-2.1 -2,-0.8 4,-0.3 -0.651 15.2 179.9 -88.0 84.6 45.8 60.7 51.2 38 127 A L G > S+ 0 0 2 26,-2.1 3,-1.5 -2,-1.5 27,-0.2 0.766 72.9 69.5 -56.0 -29.4 46.0 63.2 48.3 39 128 A D G 3 S+ 0 0 14 25,-0.6 -1,-0.3 1,-0.3 26,-0.1 0.624 92.9 59.5 -67.9 -11.0 42.2 63.5 48.2 40 129 A W G < S+ 0 0 106 -3,-2.1 2,-0.3 -29,-0.2 -1,-0.3 0.527 77.5 110.2 -94.0 -6.5 42.3 65.3 51.5 41 130 A L < - 0 0 15 -3,-1.5 -26,-0.2 -4,-0.3 -27,-0.2 -0.550 56.1-155.9 -72.2 126.5 44.5 68.2 50.2 42 131 A K S S+ 0 0 146 -28,-2.2 2,-0.4 -2,-0.3 -1,-0.2 0.997 85.1 21.8 -64.4 -64.8 42.6 71.5 50.0 43 132 A D S S- 0 0 125 -29,-0.7 2,-0.4 2,-0.0 -27,-0.2 -0.886 79.0-176.4-105.0 136.9 44.8 73.0 47.4 44 133 A F - 0 0 35 -2,-0.4 -29,-0.0 -3,-0.1 -6,-0.0 -0.940 22.1-178.3-143.0 116.7 46.9 70.6 45.3 45 134 A N > - 0 0 90 -2,-0.4 4,-3.1 1,-0.2 5,-0.4 -0.858 24.0-156.3-111.3 89.3 49.6 71.4 42.7 46 135 A P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.797 82.4 40.5 -30.7 -67.3 50.5 67.8 41.6 47 136 A L H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.951 122.6 39.6 -57.0 -54.3 54.0 68.2 40.2 48 137 A E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.953 120.2 43.0 -61.2 -54.4 55.2 70.6 42.8 49 138 A D H X S+ 0 0 15 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.886 112.7 50.4 -63.3 -43.1 53.6 69.1 45.9 50 139 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.4 5,-0.2 0.894 109.4 53.8 -62.4 -38.1 54.3 65.4 45.1 51 140 A K H X S+ 0 0 113 -4,-1.6 4,-2.0 -5,-0.4 -1,-0.2 0.916 109.5 48.5 -60.9 -44.3 58.0 66.4 44.5 52 141 A T H X S+ 0 0 48 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.955 110.4 48.3 -62.5 -53.9 58.1 68.0 48.0 53 142 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 113.2 47.2 -54.2 -49.3 56.5 65.1 49.9 54 143 A I H < S+ 0 0 41 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.900 115.5 46.4 -61.2 -41.3 58.8 62.5 48.3 55 144 A K H < S+ 0 0 165 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.927 120.4 35.8 -68.4 -45.2 61.9 64.7 49.0 56 145 A K H < S+ 0 0 117 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.650 88.3 107.6 -87.1 -15.9 61.1 65.6 52.6 57 146 A S < - 0 0 19 -4,-2.2 4,-0.1 -5,-0.3 -37,-0.1 -0.472 51.8-160.0 -70.0 124.3 59.5 62.4 53.8 58 147 A P S S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.553 75.1 57.9 -77.8 -6.8 61.7 60.4 56.2 59 148 A L S S- 0 0 20 1,-0.1 -26,-0.2 -25,-0.0 -27,-0.1 -0.857 99.8 -84.0-125.1 158.0 59.7 57.2 55.6 60 149 A P - 0 0 54 0, 0.0 -26,-1.7 0, 0.0 2,-0.4 -0.248 53.5-128.4 -55.3 146.1 58.7 55.1 52.5 61 150 A T E -c 34 0A 4 31,-0.2 34,-1.5 -28,-0.2 33,-1.2 -0.826 24.7-173.3-112.4 143.7 55.7 56.6 50.8 62 151 A L E -cd 35 95A 1 -28,-1.9 -26,-3.2 -2,-0.4 2,-0.5 -0.994 18.1-152.8-128.0 118.7 52.3 55.2 49.6 63 152 A F E +cd 36 96A 0 32,-2.1 34,-2.3 -2,-0.4 2,-0.4 -0.844 15.0 177.8-102.4 133.1 50.1 57.5 47.6 64 153 A T E -cd 37 97A 0 -28,-2.5 -26,-2.1 -2,-0.5 -25,-0.6 -0.992 14.7-176.1-129.8 134.3 46.3 57.2 47.5 65 154 A Y - 0 0 26 32,-0.5 -28,-0.1 -2,-0.4 20,-0.1 -0.581 24.1-164.9-128.8 67.5 44.0 59.6 45.6 66 155 A R - 0 0 6 -2,-0.2 8,-2.5 5,-0.1 7,-0.8 -0.362 6.1-143.1 -65.3 123.9 40.7 58.1 46.8 67 156 A P B > > -h 74 0B 1 0, 0.0 5,-2.7 0, 0.0 3,-2.1 -0.419 24.9-109.4 -83.2 157.8 37.5 59.1 44.8 68 157 A K G > 5S+ 0 0 133 6,-2.6 3,-1.5 1,-0.3 7,-0.1 0.812 115.4 64.5 -56.8 -32.3 34.1 59.7 46.2 69 158 A W G 3 5S+ 0 0 125 1,-0.3 -1,-0.3 5,-0.3 6,-0.0 0.572 106.8 42.9 -71.7 -5.3 32.7 56.5 44.6 70 159 A E G < 5S- 0 0 31 -3,-2.1 -1,-0.3 54,-0.0 -2,-0.2 -0.039 132.2 -85.7-126.0 28.2 35.1 54.5 46.8 71 160 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.510 93.7 118.9 82.7 5.4 34.6 56.4 50.1 72 161 A G S - 0 0 77 -2,-0.3 4,-1.4 1,-0.1 -2,-0.0 -0.276 50.3-151.9 -58.3 133.0 38.0 64.0 36.0 78 167 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.888 94.3 54.5 -74.2 -40.7 39.1 60.3 36.3 79 168 A N H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 107.6 50.8 -62.0 -38.1 42.0 60.6 33.9 80 169 A E H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 108.3 52.5 -64.2 -43.5 43.4 63.5 35.8 81 170 A R H X S+ 0 0 0 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.923 111.4 46.3 -57.6 -45.8 43.2 61.5 39.0 82 171 A R H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.856 105.6 59.5 -67.0 -36.0 45.1 58.6 37.4 83 172 A D H X S+ 0 0 87 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.880 103.2 54.0 -60.0 -36.7 47.7 61.0 35.9 84 173 A V H X S+ 0 0 11 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.926 108.3 47.4 -63.7 -45.0 48.5 62.1 39.5 85 174 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.897 112.9 48.2 -64.9 -39.8 49.1 58.5 40.6 86 175 A R H X S+ 0 0 47 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 109.9 53.7 -65.6 -38.9 51.3 57.7 37.6 87 176 A L H X S+ 0 0 33 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.885 105.6 53.5 -60.9 -39.6 53.2 61.0 38.4 88 177 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.5 0.919 108.3 49.9 -61.7 -44.0 53.8 59.8 41.9 89 178 A M H ><5S+ 0 0 6 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.933 110.1 50.3 -59.6 -47.9 55.3 56.5 40.6 90 179 A E H 3<5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.8 53.8 -60.8 -36.7 57.6 58.4 38.2 91 180 A L H 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.520 130.2 -84.3 -79.4 -5.3 58.8 60.7 41.0 92 181 A G T <<5 + 0 0 31 -3,-1.3 -31,-0.2 -4,-0.5 -3,-0.2 0.586 64.0 165.4 117.5 10.7 59.9 57.9 43.3 93 182 A A < - 0 0 2 -5,-2.3 -1,-0.2 1,-0.1 -31,-0.1 -0.258 32.9-145.0 -58.1 145.3 56.8 56.7 45.3 94 183 A D S S- 0 0 51 -33,-1.2 25,-1.6 1,-0.3 2,-0.3 0.763 79.0 -4.2 -82.5 -27.0 57.4 53.4 47.0 95 184 A Y E -de 62 119A 26 -34,-1.5 -32,-2.1 23,-0.2 2,-0.3 -0.979 55.1-158.1-156.5 164.2 53.7 52.4 46.4 96 185 A I E -de 63 120A 0 23,-1.0 25,-2.7 -2,-0.3 2,-0.6 -0.969 18.4-138.1-143.6 146.0 50.4 53.7 45.1 97 186 A D E -de 64 121A 1 -34,-2.3 -32,-0.5 -2,-0.3 2,-0.4 -0.956 23.3-174.3-109.7 119.8 47.0 52.3 46.0 98 187 A V E - e 0 122A 0 23,-2.8 25,-1.7 -2,-0.6 2,-0.1 -0.958 28.6-107.1-118.8 138.4 44.6 52.0 43.0 99 188 A E E >> - e 0 123A 0 -2,-0.4 3,-1.7 23,-0.2 4,-0.9 -0.346 21.1-128.0 -64.3 133.9 40.9 51.0 43.2 100 189 A L H >> S+ 0 0 20 23,-2.8 3,-0.9 1,-0.3 4,-0.6 0.855 104.5 67.1 -47.3 -43.1 40.0 47.5 42.0 101 190 A Q H 34 S+ 0 0 140 1,-0.3 -1,-0.3 22,-0.3 4,-0.1 0.808 119.2 19.8 -52.7 -34.0 37.3 48.9 39.7 102 191 A V H <> S+ 0 0 10 -3,-1.7 4,-2.3 2,-0.1 -1,-0.3 0.250 93.8 106.2-120.4 11.7 39.9 50.6 37.5 103 192 A A H S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.888 116.7 49.1 -58.0 -43.2 43.1 49.8 33.0 106 195 A F H X S+ 0 0 2 -4,-2.3 4,-0.8 1,-0.2 3,-0.2 0.959 109.3 47.7 -64.7 -53.5 45.6 51.5 35.3 107 196 A I H >< S+ 0 0 25 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.834 110.1 55.6 -59.0 -31.7 48.2 48.7 35.5 108 197 A K H >< S+ 0 0 160 -4,-1.8 3,-1.7 -5,-0.3 -1,-0.2 0.917 100.7 58.6 -66.1 -41.8 48.0 48.4 31.7 109 198 A S H 3< S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.678 110.6 42.0 -62.0 -19.3 48.9 52.1 31.3 110 199 A I T X< S+ 0 0 1 -4,-0.8 3,-2.4 -3,-0.6 4,-0.4 0.225 79.4 146.8-112.6 13.3 52.2 51.6 33.2 111 200 A D T < S+ 0 0 127 -3,-1.7 -3,-0.1 1,-0.3 -4,-0.0 -0.284 79.7 1.5 -53.7 122.7 53.2 48.3 31.6 112 201 A G T 3 S+ 0 0 78 1,-0.1 -1,-0.3 -2,-0.0 -4,-0.0 0.712 116.2 88.1 70.1 21.0 57.0 48.2 31.3 113 202 A K < + 0 0 134 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.1 0.303 52.7 122.5-128.4 3.3 57.3 51.6 33.0 114 203 A K - 0 0 78 -4,-0.4 4,-0.1 1,-0.1 -24,-0.0 -0.561 60.6-125.6 -75.8 125.2 57.4 50.5 36.6 115 204 A P > - 0 0 37 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.177 26.0-106.8 -63.2 161.6 60.5 51.6 38.6 116 205 A G T 3 S+ 0 0 81 1,-0.3 2,-1.0 3,-0.0 -2,-0.0 0.915 115.3 42.6 -57.7 -50.6 62.6 49.0 40.4 117 206 A K T 3 S+ 0 0 145 2,-0.0 2,-0.3 -24,-0.0 -1,-0.3 -0.532 94.8 108.5 -97.7 65.3 61.5 49.8 44.0 118 207 A F < - 0 0 10 -2,-1.0 2,-0.4 -3,-0.6 -23,-0.2 -0.984 41.6-175.3-146.2 131.0 57.8 50.3 43.2 119 208 A K E -e 95 0A 96 -25,-1.6 -23,-1.0 -2,-0.3 2,-0.6 -0.973 18.2-138.0-128.9 142.3 54.8 48.2 44.1 120 209 A V E -e 96 0A 0 -2,-0.4 29,-2.0 -25,-0.2 30,-1.9 -0.871 12.4-160.2-103.0 120.8 51.1 48.5 43.1 121 210 A I E -ef 97 150A 1 -25,-2.7 -23,-2.8 -2,-0.6 2,-0.5 -0.850 5.3-161.1 -96.7 130.8 48.5 47.9 45.8 122 211 A V E -ef 98 151A 0 28,-2.2 30,-2.2 -2,-0.5 2,-0.3 -0.973 17.0-163.3-115.6 121.5 45.0 47.2 44.4 123 212 A S E -ef 99 152A 0 -25,-1.7 -23,-2.8 -2,-0.5 2,-0.4 -0.718 21.7-170.4-114.5 158.2 42.2 47.6 46.9 124 213 A S E - 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0 0 16 -5,-1.0 -1,-0.2 -4,-0.2 -27,-0.2 -0.307 33.3-153.8 -62.8 144.1 48.5 43.8 41.4 149 238 A D S S+ 0 0 53 -29,-2.0 2,-0.4 1,-0.3 -28,-0.2 0.840 86.7 25.4 -84.0 -38.5 51.7 43.3 43.4 150 239 A I E S-f 121 0A 2 -30,-1.9 -28,-2.2 25,-0.1 2,-0.4 -0.990 76.5-139.4-131.1 134.5 49.8 43.5 46.7 151 240 A V E -fg 122 177A 0 25,-2.8 27,-3.4 -2,-0.4 2,-0.5 -0.780 18.2-169.5 -93.2 132.3 46.1 42.6 47.4 152 241 A K E +fg 123 178A 14 -30,-2.2 -28,-1.6 -2,-0.4 2,-0.4 -0.979 8.4 173.4-127.2 122.6 44.2 44.9 49.8 153 242 A I E -fg 124 179A 2 25,-3.1 27,-2.4 -2,-0.5 2,-0.5 -0.988 7.1-175.8-131.1 125.2 40.8 44.0 51.1 154 243 A A E +fg 125 180A 6 -30,-2.5 -28,-2.8 -2,-0.4 27,-0.2 -0.983 11.6 173.6-121.4 123.3 38.9 46.0 53.8 155 244 A T E - g 0 181A 2 25,-2.3 27,-3.6 -2,-0.5 2,-0.4 -0.581 28.8-110.7-116.5-178.4 35.5 44.6 55.0 156 245 A T E - g 0 182A 30 -27,-1.7 2,-0.7 25,-0.2 3,-0.2 -0.950 22.2-129.5-120.0 136.6 33.1 45.7 57.8 157 246 A A + 0 0 13 25,-2.2 28,-0.3 -2,-0.4 29,-0.1 -0.763 29.0 168.4 -90.4 117.2 32.4 43.7 61.0 158 247 A V S S+ 0 0 93 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.760 82.9 8.8 -89.7 -32.6 28.8 43.1 61.7 159 248 A D S > S- 0 0 35 -3,-0.2 3,-2.1 26,-0.0 -1,-0.4 -0.983 78.9-115.2-144.9 150.2 29.8 40.7 64.5 160 249 A I G > S+ 0 0 4 110,-0.4 3,-1.3 -2,-0.3 4,-0.4 0.754 111.0 70.9 -59.3 -24.7 33.2 39.9 66.0 161 250 A A G > S+ 0 0 20 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.716 83.2 74.7 -64.1 -20.0 33.0 36.3 64.6 162 251 A D G X> S+ 0 0 17 -3,-2.1 3,-1.2 1,-0.2 4,-0.9 0.816 81.1 68.2 -60.9 -35.2 33.5 37.9 61.1 163 252 A V H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 3,-0.3 0.836 84.9 69.1 -57.2 -35.4 37.2 38.5 61.8 164 253 A A H <> S+ 0 0 34 -3,-0.7 4,-1.7 -4,-0.4 -1,-0.3 0.853 97.1 53.6 -53.4 -36.1 38.0 34.8 61.7 165 254 A R H <> S+ 0 0 65 -3,-1.2 4,-1.7 -4,-0.4 -1,-0.2 0.905 106.9 50.0 -68.6 -39.8 37.3 34.8 58.0 166 255 A M H X S+ 0 0 2 -4,-0.9 4,-2.5 -3,-0.3 5,-0.2 0.887 108.2 53.4 -65.7 -36.9 39.7 37.6 57.3 167 256 A F H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.883 105.9 54.0 -64.5 -36.4 42.5 35.8 59.3 168 257 A H H X S+ 0 0 90 -4,-1.7 4,-1.8 -5,-0.2 5,-0.3 0.911 110.4 48.0 -63.0 -39.6 41.9 32.7 57.1 169 258 A I H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.931 115.5 40.9 -67.9 -47.7 42.4 34.9 54.0 170 259 A T H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.2 51.8 -68.9 -36.0 45.6 36.6 55.2 171 260 A S H < S+ 0 0 38 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.828 123.8 23.0 -69.2 -34.0 47.0 33.4 56.6 172 261 A K H < S+ 0 0 129 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.638 86.6 109.0-112.0 -17.4 46.5 31.2 53.6 173 262 A A < - 0 0 18 -4,-2.2 2,-1.6 -5,-0.3 4,-0.1 -0.469 63.2-139.7 -65.5 126.5 46.4 33.4 50.4 174 263 A Q S S+ 0 0 187 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 -0.349 77.5 70.0 -86.4 58.1 49.6 32.9 48.5 175 264 A V S S- 0 0 16 -2,-1.6 2,-0.2 -5,-0.1 -25,-0.1 -0.938 102.5 -80.1-163.8 147.9 50.1 36.6 47.6 176 265 A P - 0 0 52 0, 0.0 -25,-2.8 0, 0.0 2,-0.4 -0.431 59.3-168.4 -58.7 124.8 51.0 39.6 49.7 177 266 A T E -g 151 0A 0 20,-0.4 22,-2.8 -2,-0.2 2,-0.8 -0.964 29.3-164.8-131.5 128.2 47.7 40.6 51.4 178 267 A I E +g 152 0A 1 -27,-3.4 -25,-3.1 -2,-0.4 2,-0.5 -0.916 26.5 174.5-101.4 108.0 46.5 43.6 53.4 179 268 A G E +g 153 0A 5 -2,-0.8 2,-0.3 21,-0.2 -25,-0.2 -0.954 2.2 164.5-125.6 116.7 43.4 42.3 55.0 180 269 A L E -g 154 0A 6 -27,-2.4 -25,-2.3 -2,-0.5 2,-0.5 -0.957 27.4-147.0-133.2 148.2 41.5 44.5 57.5 181 270 A V E -g 155 0A 0 5,-0.4 -25,-0.2 -2,-0.3 8,-0.2 -0.961 23.7-141.3-117.1 117.8 38.0 44.5 59.1 182 271 A M E +g 156 0A 10 -27,-3.6 -25,-2.2 -2,-0.5 32,-0.2 -0.276 55.7 51.3 -76.3 159.0 36.6 48.0 59.9 183 272 A G S > S- 0 0 18 30,-1.9 3,-1.7 -27,-0.2 4,-0.3 -0.055 95.1 -76.8 98.8 158.1 34.5 48.9 63.0 184 273 A E G > S+ 0 0 53 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.918 130.0 58.4 -56.8 -42.7 35.1 48.5 66.7 185 274 A R G 3 S+ 0 0 72 -28,-0.3 -1,-0.3 1,-0.3 -22,-0.2 0.599 106.2 50.3 -64.2 -9.9 34.1 44.8 66.4 186 275 A G G X S+ 0 0 0 -3,-1.7 3,-1.9 -29,-0.1 4,-0.5 0.382 73.8 108.9-108.7 3.6 36.9 44.3 63.9 187 276 A L T X> S+ 0 0 8 -3,-1.8 3,-2.0 -4,-0.3 4,-0.9 0.830 70.3 65.0 -47.3 -41.7 39.7 45.9 65.9 188 277 A M H >> S+ 0 0 4 1,-0.3 4,-2.1 -4,-0.3 3,-0.6 0.833 93.3 62.3 -54.2 -32.2 41.3 42.5 66.6 189 278 A S H <4 S+ 0 0 2 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.739 103.3 50.0 -67.2 -21.3 42.0 42.2 62.8 190 279 A R H <4 S+ 0 0 4 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.681 114.4 42.6 -89.6 -20.3 44.2 45.3 63.0 191 280 A I H << S+ 0 0 1 -4,-0.9 3,-0.4 -3,-0.6 -2,-0.2 0.865 109.7 49.7 -94.1 -42.1 46.3 44.1 66.0 192 281 A L >X + 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-1.6 0.194 69.5 120.0 -87.9 17.4 47.0 40.4 65.2 193 282 A C T 34>S+ 0 0 4 1,-0.3 5,-2.2 2,-0.2 4,-0.4 0.819 71.1 56.5 -48.7 -42.5 48.3 40.9 61.6 194 283 A S T 345S+ 0 0 13 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.646 108.3 47.8 -69.6 -15.4 51.7 39.4 62.3 195 284 A K T <45S+ 0 0 14 -3,-2.0 -1,-0.2 36,-0.2 -2,-0.2 0.799 118.0 39.5 -90.8 -33.6 50.2 36.2 63.6 196 285 A F T <5S- 0 0 19 -4,-1.6 -2,-0.2 -195,-0.0 -3,-0.1 0.146 117.1 -99.7-105.7 20.9 47.9 35.7 60.7 197 286 A G T 5 + 0 0 11 -4,-0.4 -20,-0.4 1,-0.2 -3,-0.2 0.557 60.2 161.4 79.3 11.2 50.0 36.8 57.8 198 287 A G < - 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