==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, LYASE 18-APR-06 2GPT . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE/ SHIKIMATE 5- . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR S.A.SINGH,D.CHRISTENDAT . 498 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 16.5 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 . 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 . 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 . 35 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 2 2 3 0 0 2 3 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 3 4 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 1 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 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 44 0, 0.0 176,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 102.0 52.2 35.0 54.4 2 91 A K + 0 0 185 174,-0.1 195,-0.1 3,-0.0 3,-0.1 -0.326 360.0 29.2 70.0-142.7 55.8 36.1 54.7 3 92 A N S S- 0 0 127 1,-0.1 3,-0.1 -2,-0.1 0, 0.0 0.014 89.1 -86.8 -54.7 153.5 57.1 39.0 56.8 4 93 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 190,-0.1 -0.179 63.6 -80.6 -56.4 155.3 55.5 40.4 59.9 5 94 A S - 0 0 3 222,-0.1 195,-0.3 -3,-0.1 2,-0.2 -0.286 43.6-130.0 -63.1 143.8 52.8 43.0 59.3 6 95 A L E -a 200 0A 44 193,-1.7 195,-2.0 -3,-0.1 2,-0.6 -0.520 14.0-128.5 -87.9 159.2 53.9 46.5 58.5 7 96 A I E -a 201 0A 0 193,-0.2 25,-2.4 -2,-0.2 26,-1.4 -0.957 27.0-168.9-114.0 113.5 52.3 49.5 60.4 8 97 A C E -ab 202 33A 0 193,-3.3 195,-2.5 -2,-0.6 26,-0.2 -0.872 9.8-147.3-107.8 135.0 51.0 52.1 58.0 9 98 A A E - b 0 34A 0 24,-2.3 26,-2.7 -2,-0.4 2,-0.4 -0.864 13.8-132.0-105.2 127.2 49.9 55.6 59.1 10 99 A P E - b 0 35A 1 0, 0.0 2,-0.6 0, 0.0 195,-0.3 -0.627 18.1-160.6 -76.9 124.7 47.1 57.5 57.2 11 100 A V E + b 0 36A 0 24,-3.1 26,-2.6 -2,-0.4 29,-0.2 -0.937 26.6 153.0-111.2 113.5 48.1 61.1 56.4 12 101 A M + 0 0 30 -2,-0.6 -1,-0.1 24,-0.1 7,-0.1 0.246 14.0 142.8-125.7 11.7 45.0 63.2 55.7 13 102 A A - 0 0 14 1,-0.1 27,-0.1 5,-0.1 6,-0.1 -0.247 55.3-125.7 -53.3 143.9 46.1 66.8 56.5 14 103 A D S S+ 0 0 52 27,-0.2 28,-2.8 4,-0.1 29,-0.7 0.358 86.1 50.6 -78.9 6.2 44.5 69.2 54.0 15 104 A S S > S- 0 0 36 26,-0.2 4,-1.8 27,-0.1 5,-0.2 -0.984 80.1-122.3-141.8 153.8 47.7 70.9 53.0 16 105 A I H > S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.896 110.9 54.8 -62.1 -42.7 51.1 69.7 51.8 17 106 A D H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 110.8 46.8 -58.2 -41.7 53.1 71.5 54.6 18 107 A K H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.822 108.4 54.0 -71.7 -31.0 50.9 69.7 57.2 19 108 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.914 105.7 54.1 -68.6 -39.7 51.2 66.3 55.5 20 109 A V H X S+ 0 0 18 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.934 108.5 49.2 -57.4 -44.9 55.0 66.6 55.7 21 110 A I H X S+ 0 0 114 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.894 110.3 52.0 -61.5 -39.3 54.8 67.3 59.4 22 111 A E H X S+ 0 0 16 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.892 104.6 53.8 -66.3 -39.6 52.5 64.2 59.7 23 112 A T H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.877 109.6 50.0 -63.3 -34.2 55.0 61.9 57.9 24 113 A S H X S+ 0 0 43 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.927 110.4 49.1 -66.8 -44.9 57.6 63.1 60.4 25 114 A K H X S+ 0 0 79 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.917 108.3 54.5 -60.1 -42.6 55.3 62.4 63.3 26 115 A A H X>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-1.0 0.916 109.2 47.8 -57.6 -43.7 54.6 58.9 61.8 27 116 A H H ><5S+ 0 0 98 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.952 111.7 49.9 -61.8 -49.1 58.3 58.3 61.8 28 117 A E H 3<5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 108.2 53.7 -55.1 -45.6 58.6 59.4 65.4 29 118 A L H 3<5S- 0 0 42 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.686 121.8-102.6 -66.1 -20.4 55.7 57.2 66.5 30 119 A G T <<5 + 0 0 27 -4,-1.0 -3,-0.2 -3,-1.0 -23,-0.1 0.516 64.5 155.3 110.4 7.8 57.3 54.1 65.0 31 120 A A < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 -23,-0.2 -0.336 39.2-145.6 -68.7 150.1 55.3 53.6 61.8 32 121 A D S S- 0 0 46 -25,-2.4 2,-0.3 1,-0.2 -24,-0.2 0.703 75.3 -11.4 -87.7 -24.2 56.8 51.6 58.9 33 122 A L E -b 8 0A 3 -26,-1.4 -24,-2.3 26,-0.2 2,-0.4 -0.956 63.2-121.9-161.7 177.7 55.2 53.7 56.2 34 123 A V E -bc 9 61A 0 26,-1.8 28,-2.6 -2,-0.3 2,-0.7 -0.991 8.4-143.6-136.8 141.7 52.6 56.3 55.4 35 124 A E E -bc 10 62A 6 -26,-2.7 -24,-3.1 -2,-0.4 2,-0.8 -0.926 18.0-149.6-103.9 115.4 49.6 56.4 53.2 36 125 A I E -bc 11 63A 0 26,-2.9 28,-2.5 -2,-0.7 2,-1.7 -0.773 3.3-153.3 -87.5 110.8 49.2 59.9 51.6 37 126 A R E > - c 0 64A 19 -26,-2.6 3,-2.4 -2,-0.8 4,-0.2 -0.615 16.0-179.0 -86.3 81.0 45.5 60.4 51.1 38 127 A L G > S+ 0 0 2 26,-2.0 3,-1.6 -2,-1.7 27,-0.2 0.752 72.6 71.2 -51.0 -30.7 45.8 62.9 48.2 39 128 A D G 3 S+ 0 0 12 25,-0.6 -1,-0.3 1,-0.3 26,-0.1 0.611 91.3 60.8 -67.2 -8.9 42.0 63.2 48.0 40 129 A W G < S+ 0 0 97 -3,-2.4 2,-0.3 -29,-0.2 -1,-0.3 0.545 75.1 112.8 -93.8 -9.1 42.1 65.2 51.2 41 130 A L < - 0 0 17 -3,-1.6 -26,-0.2 -4,-0.2 -27,-0.2 -0.499 55.1-155.3 -68.9 127.0 44.3 68.0 50.0 42 131 A K S S+ 0 0 160 -28,-2.8 2,-0.4 -2,-0.3 -1,-0.2 0.937 88.0 23.7 -65.4 -49.9 42.5 71.4 49.8 43 132 A D S S- 0 0 130 -29,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.947 79.0-171.1-117.0 139.1 44.9 72.7 47.2 44 133 A F + 0 0 38 -2,-0.4 -29,-0.0 -3,-0.1 4,-0.0 -0.906 21.3 174.9-143.1 113.4 46.8 70.3 45.1 45 134 A N > - 0 0 90 -2,-0.4 4,-3.6 1,-0.2 5,-0.5 -0.861 21.7-161.9-112.0 89.5 49.6 70.9 42.6 46 135 A P H >>S+ 0 0 41 0, 0.0 4,-3.1 0, 0.0 5,-0.5 0.876 82.1 42.1 -35.2 -73.4 50.5 67.3 41.7 47 136 A L H >5S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.918 124.8 35.5 -44.3 -60.5 54.0 67.8 40.2 48 137 A E H >5S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.960 123.0 41.9 -62.3 -56.2 55.1 70.2 42.9 49 138 A D H X5S+ 0 0 12 -4,-3.6 4,-2.3 1,-0.2 5,-0.2 0.920 114.3 49.8 -61.9 -46.8 53.4 68.7 45.9 50 139 A L H X5S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.5 5,-0.2 0.890 109.9 53.3 -57.9 -41.1 54.0 65.1 45.1 51 140 A K H X > -h 74 0B 1 0, 0.0 5,-2.6 0, 0.0 3,-2.4 -0.426 23.2-111.6 -81.1 153.5 37.3 59.0 44.6 68 157 A K G > 5S+ 0 0 132 6,-3.3 3,-2.0 1,-0.3 7,-0.1 0.864 116.0 63.9 -52.4 -39.4 33.9 59.8 46.0 69 158 A W G 3 5S+ 0 0 126 1,-0.3 -1,-0.3 5,-0.3 6,-0.1 0.550 106.6 44.1 -66.8 -3.2 32.5 56.7 44.3 70 159 A E G < 5S- 0 0 34 -3,-2.4 -1,-0.3 54,-0.0 -2,-0.2 0.011 131.4 -88.7-126.2 24.7 34.8 54.6 46.6 71 160 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.542 92.7 119.3 81.9 7.3 34.1 56.6 49.8 72 161 A G S - 0 0 67 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.411 50.5-150.6 -66.5 130.9 37.8 63.6 35.9 78 167 A E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.836 94.4 53.9 -70.7 -37.6 38.9 60.0 36.2 79 168 A N H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 108.3 50.2 -66.8 -37.6 41.9 60.2 33.8 80 169 A E H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 109.3 52.0 -65.7 -40.3 43.3 63.2 35.7 81 170 A R H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 3,-0.2 0.948 112.1 45.9 -59.7 -48.4 43.0 61.2 38.9 82 171 A R H X S+ 0 0 23 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.834 105.6 60.4 -63.5 -35.6 44.8 58.3 37.3 83 172 A D H X S+ 0 0 83 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.907 102.2 53.6 -60.1 -40.8 47.5 60.7 35.9 84 173 A V H X S+ 0 0 11 -4,-1.8 4,-3.0 -3,-0.2 -1,-0.2 0.955 108.5 48.1 -58.3 -50.6 48.4 61.8 39.4 85 174 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.901 111.5 50.0 -58.6 -41.8 48.9 58.2 40.6 86 175 A R H X S+ 0 0 49 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.914 110.8 50.9 -63.1 -39.2 51.1 57.5 37.5 87 176 A L H X S+ 0 0 31 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.943 106.6 53.8 -61.2 -48.6 53.0 60.6 38.4 88 177 A A H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.3 0.917 109.8 48.6 -50.8 -49.4 53.5 59.4 42.0 89 178 A M H ><5S+ 0 0 4 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.941 113.2 45.3 -58.4 -51.3 54.9 56.2 40.7 90 179 A E H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.703 107.9 59.6 -70.5 -15.3 57.3 57.8 38.3 91 180 A L T 3<5S- 0 0 46 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.447 131.1 -86.2 -90.8 1.1 58.4 60.3 41.0 92 181 A G T < 5 + 0 0 24 -3,-1.5 -31,-0.2 -4,-0.3 -3,-0.2 0.567 67.1 163.5 110.6 9.6 59.6 57.6 43.3 93 182 A A < - 0 0 1 -5,-2.5 -1,-0.2 -6,-0.2 -31,-0.1 -0.275 33.6-145.6 -59.6 146.3 56.5 56.4 45.2 94 183 A D S S- 0 0 35 -33,-1.4 25,-1.7 1,-0.3 2,-0.3 0.788 77.5 -3.7 -83.1 -30.2 56.9 53.0 46.9 95 184 A Y E -de 62 119A 25 -34,-1.8 -32,-2.3 23,-0.2 2,-0.3 -0.977 54.3-158.5-154.5 164.6 53.3 52.1 46.4 96 185 A I E -de 63 120A 0 23,-1.0 25,-2.9 -2,-0.3 2,-0.6 -0.970 19.8-136.1-143.8 144.8 50.0 53.4 45.1 97 186 A D E -de 64 121A 0 -34,-2.3 -32,-0.5 -2,-0.3 2,-0.4 -0.942 24.7-172.8-106.6 118.0 46.6 52.0 46.0 98 187 A V E - e 0 122A 1 23,-3.6 25,-1.8 -2,-0.6 5,-0.1 -0.949 26.8-110.5-116.0 136.6 44.4 51.6 43.0 99 188 A E E >> - e 0 123A 1 -2,-0.4 3,-1.6 23,-0.2 4,-1.1 -0.329 19.9-126.8 -64.5 136.3 40.7 50.6 43.2 100 189 A L H >> S+ 0 0 24 23,-2.8 3,-1.2 1,-0.3 4,-0.6 0.899 105.7 66.4 -46.4 -49.1 39.7 47.2 42.0 101 190 A Q H 34 S+ 0 0 145 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.767 118.8 20.5 -46.3 -35.6 37.0 48.7 39.7 102 191 A V H <> S+ 0 0 8 -3,-1.6 4,-2.3 2,-0.1 -1,-0.3 0.310 92.6 106.4-120.3 8.5 39.7 50.4 37.5 103 192 A A H S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.923 118.1 49.3 -58.2 -45.7 42.9 49.6 32.8 106 195 A F H X S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.943 110.3 45.7 -62.2 -53.2 45.4 51.2 35.2 107 196 A I H >< S+ 0 0 20 -4,-3.1 3,-0.8 1,-0.2 4,-0.2 0.885 111.6 54.6 -60.9 -36.2 47.9 48.4 35.5 108 197 A K H >< S+ 0 0 146 -4,-2.1 3,-1.6 -5,-0.3 -1,-0.2 0.918 103.1 57.4 -62.2 -40.1 47.8 48.0 31.7 109 198 A S H 3< S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.694 109.6 43.6 -64.1 -21.3 48.6 51.7 31.3 110 199 A I T X< S+ 0 0 1 -4,-0.9 3,-1.9 -3,-0.8 4,-0.3 0.253 81.0 142.7-107.4 11.5 51.8 51.3 33.3 111 200 A D T < S+ 0 0 130 -3,-1.6 -3,-0.1 1,-0.3 -4,-0.0 -0.311 77.9 4.8 -56.9 124.8 52.9 48.1 31.6 112 201 A G T 3 S+ 0 0 77 -2,-0.1 -1,-0.3 3,-0.0 -4,-0.0 0.772 117.7 83.1 70.7 26.9 56.7 48.1 31.1 113 202 A K < + 0 0 146 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.0 0.231 54.1 122.9-141.4 9.1 57.0 51.4 33.0 114 203 A K - 0 0 76 -4,-0.3 -24,-0.0 1,-0.1 -2,-0.0 -0.669 59.6-125.3 -83.0 123.5 57.1 50.2 36.7 115 204 A P > - 0 0 50 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.046 27.5-102.5 -58.8 167.2 60.1 51.2 38.7 116 205 A G T 3 S+ 0 0 88 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.886 118.6 33.3 -62.4 -43.3 62.2 48.6 40.5 117 206 A K T 3 S+ 0 0 120 -24,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.358 94.0 117.4 -96.2 6.4 61.0 49.2 44.0 118 207 A F < - 0 0 8 -3,-0.6 2,-0.4 -23,-0.0 -23,-0.2 -0.574 40.3-175.2 -81.3 133.0 57.4 50.1 43.0 119 208 A K E -e 95 0A 88 -25,-1.7 -23,-1.0 -2,-0.3 2,-0.6 -0.993 16.9-140.6-129.9 133.0 54.5 47.9 44.1 120 209 A V E -e 96 0A 0 -2,-0.4 29,-2.2 -25,-0.2 30,-1.9 -0.811 11.9-160.1 -96.9 121.7 50.8 48.3 43.0 121 210 A I E -ef 97 150A 0 -25,-2.9 -23,-3.6 -2,-0.6 2,-0.6 -0.855 3.1-162.2 -99.0 129.5 48.2 47.7 45.7 122 211 A V E -ef 98 151A 0 28,-2.3 30,-2.3 -2,-0.5 2,-0.3 -0.961 16.7-165.3-114.6 120.7 44.7 46.9 44.4 123 212 A S E -ef 99 152A 1 -25,-1.8 -23,-2.8 -2,-0.6 2,-0.4 -0.739 19.4-169.0-115.1 157.5 42.0 47.4 46.9 124 213 A S E - 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0 0 19 -13,-0.3 -16,-1.4 -16,-0.0 2,-0.5 -0.887 360.0-110.4-179.5 147.6 15.8 44.1 98.4 393 502 A S B >> -s 376 0F 28 -2,-0.3 3,-3.5 -18,-0.2 4,-0.6 -0.793 32.3-120.9 -94.5 128.8 14.6 46.0 95.4 394 503 A L H >> S+ 0 0 35 -18,-2.0 3,-2.8 -2,-0.5 4,-0.5 0.779 109.9 57.0 -27.3 -64.2 16.9 48.7 94.0 395 504 A T H 34 S+ 0 0 97 1,-0.3 -1,-0.3 -18,-0.2 3,-0.3 0.706 105.9 53.7 -48.7 -23.1 14.5 51.7 94.5 396 505 A D H X4 S+ 0 0 73 -3,-3.5 3,-0.9 1,-0.2 -1,-0.3 0.619 82.7 87.1 -89.2 -14.5 14.3 50.7 98.2 397 506 A L H << S+ 0 0 0 -3,-2.8 -1,-0.2 -4,-0.6 -2,-0.2 0.869 84.8 56.9 -52.1 -40.5 18.1 50.8 98.7 398 507 A D T 3< S+ 0 0 67 -4,-0.5 2,-1.1 -3,-0.3 -1,-0.3 0.878 103.7 60.1 -58.2 -36.9 17.9 54.6 99.4 399 508 A N < 0 0 123 -3,-0.9 -1,-0.2 -4,-0.3 29,-0.0 -0.777 360.0 360.0 -95.6 92.8 15.4 53.6 102.2 400 509 A Y 0 0 134 -2,-1.1 -2,-0.1 -3,-0.0 -3,-0.1 -0.597 360.0 360.0-159.9 360.0 17.5 51.3 104.4 401 ! 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 0.0 402 512 A E 0 0 157 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.5 23.1 50.2 111.5 403 513 A D + 0 0 117 1,-0.0 0, 0.0 29,-0.0 0, 0.0 0.343 360.0 54.7-129.7 -0.0 25.5 53.1 110.9 404 514 A G S S+ 0 0 47 28,-0.1 28,-0.2 29,-0.1 27,-0.1 -0.086 78.2 140.5-125.0 32.8 28.8 51.3 110.2 405 515 A M E - 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0 0 24 -3,-2.2 3,-2.1 1,-0.1 -1,-0.3 -0.438 65.3 -51.2 -69.2 144.3 30.9 53.4 84.7 416 526 A Q T 3 S+ 0 0 5 25,-2.7 -1,-0.1 1,-0.3 -170,-0.1 -0.250 127.5 21.2 -55.3 141.5 32.1 55.8 81.9 417 527 A P T 3 S+ 0 0 93 0, 0.0 2,-1.8 0, 0.0 -1,-0.3 -0.964 116.8 68.0 -87.6 7.6 30.4 57.5 80.1 418 528 A N X + 0 0 89 -3,-2.1 3,-1.3 1,-0.2 -4,-0.3 -0.347 61.8 149.2 -82.9 57.5 27.7 57.4 82.7 419 529 A V T 3 + 0 0 60 -2,-1.8 27,-0.5 1,-0.3 -1,-0.2 0.718 64.6 51.4 -65.3 -26.3 29.8 59.4 85.2 420 530 A E T 3 S+ 0 0 113 -3,-0.3 2,-0.5 25,-0.1 -1,-0.3 0.151 87.4 106.0 -99.7 21.2 27.0 61.2 87.0 421 531 A E < + 0 0 71 -3,-1.3 26,-0.4 -6,-0.1 25,-0.3 -0.877 44.0 176.1-103.7 125.9 25.1 58.0 87.7 422 532 A T - 0 0 29 -2,-0.5 -8,-0.1 24,-0.1 -2,-0.0 -0.960 32.1-137.8-128.3 146.3 25.1 56.6 91.2 423 533 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -25,-0.1 0.512 85.3 29.5 -80.1 -4.3 23.2 53.5 92.6 424 534 A I S S- 0 0 4 -27,-0.1 2,-0.1 -26,-0.1 -29,-0.0 -0.999 86.5 -94.9-155.6 153.3 22.2 55.2 95.8 425 535 A S >> - 0 0 42 -2,-0.3 3,-1.7 1,-0.1 4,-1.0 -0.445 32.4-128.1 -67.6 137.1 21.4 58.6 97.3 426 536 A K T 34 S+ 0 0 108 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.653 106.2 70.2 -60.1 -14.7 24.3 60.3 99.0 427 537 A D T 34 S+ 0 0 115 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.804 96.1 49.6 -73.9 -30.1 22.0 60.6 102.1 428 538 A A T X4 S+ 0 0 10 -3,-1.7 3,-3.4 1,-0.2 -2,-0.2 0.886 93.5 72.5 -75.2 -40.7 22.1 56.9 102.8 429 539 A L G >< S+ 0 0 2 -4,-1.0 3,-2.6 1,-0.3 -1,-0.2 0.746 78.8 79.5 -45.7 -27.2 25.9 56.6 102.6 430 540 A K G 3 S+ 0 0 146 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.715 90.4 54.4 -56.0 -19.8 25.9 58.4 106.0 431 541 A H G < S+ 0 0 69 -3,-3.4 -26,-1.8 -27,-0.1 2,-0.4 0.373 94.0 86.2 -97.1 2.5 25.0 55.0 107.4 432 542 A Y E < -q 405 0E 11 -3,-2.6 -26,-0.2 -28,-0.2 -28,-0.1 -0.865 52.8-165.1-111.0 141.5 28.0 53.1 106.0 433 543 A A E S+ 0 0 46 -28,-2.8 24,-2.8 -2,-0.4 2,-0.3 0.831 83.5 18.6 -85.3 -36.8 31.5 52.7 107.3 434 544 A L E -qr 406 457E 0 -29,-1.6 -27,-2.4 22,-0.2 2,-0.4 -0.984 61.8-166.5-137.9 147.8 32.8 51.4 104.0 435 545 A V E -qr 407 458E 2 22,-2.0 24,-2.2 -2,-0.3 2,-0.3 -0.981 5.7-167.2-138.8 123.5 31.8 51.5 100.4 436 546 A F E -qr 408 459E 0 -29,-3.7 -27,-3.0 -2,-0.4 2,-0.4 -0.837 1.2-167.3-108.3 145.5 33.2 49.4 97.6 437 547 A D E -q 409 0E 0 22,-1.5 -27,-0.2 -2,-0.3 27,-0.2 -0.949 13.6-159.4-137.4 113.8 32.6 50.0 93.8 438 548 A A + 0 0 16 -29,-3.1 2,-0.4 -2,-0.4 -28,-0.1 0.659 68.8 101.1 -64.4 -17.9 33.6 47.3 91.3 439 549 A V + 0 0 9 -30,-0.2 22,-0.8 -26,-0.2 6,-0.2 -0.567 43.5 172.5 -71.0 123.7 33.6 50.0 88.6 440 550 A Y + 0 0 25 -2,-0.4 -1,-0.2 21,-0.2 4,-0.1 0.433 46.8 97.9-113.5 -0.7 37.2 51.1 87.9 441 551 A T S S+ 0 0 2 1,-0.2 -25,-2.7 2,-0.1 -1,-0.2 -0.873 97.0 24.3-130.6 101.1 36.6 53.3 84.9 442 552 A P S S- 0 0 15 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.509 91.1-145.8 -73.5 170.8 36.5 56.0 86.1 443 553 A R S S+ 0 0 128 1,-0.3 2,-0.9 -2,-0.2 18,-0.4 0.927 94.7 45.1 -68.5 -45.4 38.6 55.3 89.2 444 554 A I S S- 0 0 72 16,-0.1 -1,-0.3 -4,-0.1 -4,-0.1 -0.820 82.0-171.2-103.4 93.7 36.6 57.8 91.3 445 555 A T > - 0 0 0 -2,-0.9 4,-2.3 -3,-0.2 5,-0.1 -0.289 40.5-103.6 -76.5 168.5 32.9 57.1 90.5 446 556 A R H > S+ 0 0 68 -27,-0.5 4,-2.9 -25,-0.3 5,-0.3 0.920 123.2 55.5 -58.5 -41.7 30.2 59.5 91.7 447 557 A L H > S+ 0 0 1 -26,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.964 109.8 42.1 -53.9 -60.0 29.4 56.8 94.3 448 558 A L H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.838 114.4 55.4 -58.4 -33.2 32.9 56.6 95.7 449 559 A R H >X S+ 0 0 83 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.989 111.2 39.6 -63.9 -60.7 33.0 60.4 95.5 450 560 A E H 3< S+ 0 0 14 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.660 113.0 60.7 -64.3 -14.8 29.9 61.2 97.6 451 561 A A H 3<>S+ 0 0 0 -4,-1.4 5,-1.7 -5,-0.3 -1,-0.2 0.883 105.8 43.4 -78.7 -41.2 31.0 58.3 99.8 452 562 A E H X<5S+ 0 0 134 -4,-1.9 3,-0.8 -3,-0.5 -2,-0.2 0.775 114.3 51.4 -73.1 -27.1 34.2 60.0 100.8 453 563 A E T 3<5S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.683 102.4 61.6 -79.7 -18.9 32.3 63.2 101.2 454 564 A S T 3 5S- 0 0 22 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.356 120.4-112.7 -86.3 3.8 30.0 61.2 103.4 455 565 A G T < 5S+ 0 0 70 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.324 77.3 126.9 82.4 -8.8 32.9 60.6 105.7 456 566 A A < - 0 0 13 -5,-1.7 2,-0.3 1,-0.1 -1,-0.3 -0.251 65.9-102.0 -77.3 166.8 33.0 56.9 104.9 457 567 A I E -r 434 0E 66 -24,-2.8 -22,-2.0 -3,-0.1 2,-0.4 -0.668 36.3-145.3 -88.6 147.8 36.0 54.9 103.8 458 568 A T E -r 435 0E 40 -2,-0.3 2,-0.6 -24,-0.2 -22,-0.2 -0.940 13.3-163.7-122.8 137.9 36.3 54.1 100.1 459 569 A V E -r 436 0E 6 -24,-2.2 -22,-1.5 -2,-0.4 -117,-0.1 -0.959 23.6-137.2-118.3 111.6 37.6 51.0 98.2 460 570 A S >> - 0 0 16 -2,-0.6 3,-0.9 -24,-0.2 4,-0.8 -0.241 16.4-122.8 -65.7 153.4 38.3 51.6 94.5 461 571 A G H 3> S+ 0 0 0 -22,-0.8 4,-2.8 -18,-0.4 -21,-0.2 0.710 109.4 70.6 -69.1 -18.9 37.3 49.0 91.9 462 572 A S H 3> S+ 0 0 17 2,-0.2 4,-2.9 -23,-0.2 5,-0.3 0.814 90.6 59.3 -66.3 -31.3 41.0 49.1 90.8 463 573 A E H <> S+ 0 0 60 -3,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.917 113.6 37.3 -62.2 -42.6 41.9 47.3 94.1 464 574 A M H X S+ 0 0 13 -4,-0.8 4,-2.5 -27,-0.2 5,-0.3 0.856 115.1 56.4 -76.3 -36.5 39.6 44.5 93.1 465 575 A F H X S+ 0 0 7 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.938 108.4 44.2 -62.1 -50.0 40.6 44.8 89.4 466 576 A V H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.939 114.2 50.5 -62.4 -45.4 44.3 44.3 90.0 467 577 A R H X S+ 0 0 39 -4,-1.3 4,-1.3 -5,-0.3 -2,-0.2 0.949 113.5 42.9 -58.1 -52.6 43.8 41.4 92.4 468 578 A Q H X S+ 0 0 11 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.804 112.1 59.5 -66.0 -25.3 41.5 39.4 90.1 469 579 A A H >X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 3,-0.6 0.951 103.0 46.4 -69.2 -51.1 43.8 40.3 87.2 470 580 A Y H 3X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.821 109.1 57.4 -65.0 -23.7 47.0 38.7 88.6 471 581 A E H 3X S+ 0 0 50 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.3 0.842 106.5 49.1 -71.9 -30.8 45.0 35.6 89.5 472 582 A Q H S+ 0 0 1 -4,-2.0 4,-3.5 2,-0.2 5,-0.6 0.962 107.2 48.7 -53.5 -53.5 47.5 35.7 84.7 474 584 A E H X5S+ 0 0 83 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.919 113.8 47.2 -53.7 -45.8 48.5 32.7 86.8 475 585 A I H <5S+ 0 0 39 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.921 116.9 43.2 -63.5 -43.9 45.6 30.8 85.4 476 586 A F H <5S+ 0 0 11 -4,-3.6 -2,-0.2 1,-0.1 -3,-0.2 0.930 127.7 25.4 -68.4 -49.2 46.5 31.8 81.8 477 587 A T H <5S- 0 0 24 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.748 92.1-128.7 -90.3 -26.3 50.2 31.3 81.9 478 588 A G S < + 0 0 31 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.570 30.5 170.2 -88.5 75.0 53.5 38.5 89.8 483 593 A K H > S+ 0 0 104 -2,-1.8 4,-2.0 1,-0.2 5,-0.2 0.897 71.4 50.2 -53.2 -51.1 51.4 40.6 92.2 484 594 A E H > S+ 0 0 175 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.907 110.3 52.5 -57.3 -42.0 53.9 43.3 92.8 485 595 A L H > S+ 0 0 35 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.931 107.3 51.0 -60.5 -46.0 54.3 43.7 89.0 486 596 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.865 108.8 50.4 -62.7 -36.1 50.6 44.0 88.4 487 597 A W H X S+ 0 0 81 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.917 113.7 47.1 -67.3 -39.1 50.3 46.8 91.0 488 598 A Q H X S+ 0 0 84 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.946 111.9 48.9 -65.1 -50.2 53.2 48.6 89.3 489 599 A I H X>S+ 0 0 1 -4,-3.3 4,-3.0 1,-0.2 5,-0.8 0.913 111.1 50.0 -56.8 -44.9 51.8 48.1 85.8 490 600 A M H X5S+ 0 0 22 -4,-2.3 4,-1.1 3,-0.2 -1,-0.2 0.895 113.5 46.8 -62.6 -38.7 48.3 49.4 86.9 491 601 A S H <5S+ 0 0 92 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 121.6 34.2 -69.9 -41.2 49.9 52.5 88.5 492 602 A K H <5S+ 0 0 112 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.772 135.7 18.2 -87.5 -29.4 52.2 53.3 85.6 493 603 A Y H <5S+ 0 0 96 -4,-3.0 3,-0.2 -5,-0.3 -3,-0.2 0.588 120.3 52.9-119.8 -16.1 50.1 52.3 82.6 494 604 A G S <