==== 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 HYDROLASE 25-MAY-11 3S6J . COMPND 2 MOLECULE: HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; . AUTHOR Z.ZHANG,B.SYED IBRAHIM,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 1292 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 951 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.4 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 . 6 0.5 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 . 6 0.5 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 . 49 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 197 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 465 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 3.3 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 4 6 10 2 0 13 11 3 1 1 5 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 6 12 12 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 PARALLEL BRIDGES PER LADDER . 0 6 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 6 0 0 6 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 1 106 A P 0 0 136 0, 0.0 2,-0.2 0, 0.0 216,-0.1 0.000 360.0 360.0 360.0 113.6 18.6 23.4 87.6 2 107 A Q - 0 0 120 1,-0.1 2,-0.1 214,-0.1 100,-0.1 -0.550 360.0-105.5 -76.2 143.6 20.2 20.9 85.1 3 108 A T - 0 0 19 214,-1.8 2,-0.3 -2,-0.2 99,-0.2 -0.361 25.8-154.0 -67.0 140.7 21.9 22.3 82.0 4 109 A S E -a 160 0A 7 155,-1.7 157,-2.7 152,-0.1 2,-0.5 -0.901 16.2-135.1-112.5 152.1 20.4 22.0 78.5 5 110 A F E -ab 161 103A 0 97,-2.5 99,-2.4 -2,-0.3 2,-0.5 -0.910 17.9-171.7-120.8 127.9 22.6 22.0 75.5 6 111 A I E -ab 162 104A 0 155,-2.9 157,-3.4 -2,-0.5 2,-0.4 -0.976 21.3-164.3-114.5 115.8 22.4 23.8 72.1 7 112 A F E -ab 163 105A 1 97,-2.6 99,-2.8 -2,-0.5 157,-0.2 -0.852 18.4-139.2-105.8 133.7 25.0 22.6 69.7 8 113 A D - 0 0 5 155,-2.9 99,-0.2 -2,-0.4 3,-0.1 -0.457 20.2-158.2 -66.7 159.4 26.3 24.1 66.5 9 114 A L >>> + 0 0 0 97,-0.3 4,-2.1 1,-0.2 5,-2.1 0.820 66.0 70.0-109.3 -64.9 26.7 21.3 63.9 10 115 A D B 345S-f 14 0B 14 1,-0.3 -1,-0.2 2,-0.2 155,-0.2 -0.484 123.9 -3.3 -65.5 99.6 29.1 22.2 61.2 11 116 A G T 345S+ 0 0 0 3,-2.2 -1,-0.3 -2,-0.8 176,-0.1 0.310 128.8 67.9 100.2 -8.3 32.6 22.3 62.8 12 117 A T T <45S+ 0 0 0 -3,-1.4 -2,-0.2 174,-0.1 -3,-0.2 0.784 122.5 5.4-108.9 -49.6 31.3 21.6 66.3 13 118 A L T <5S+ 0 0 0 -4,-2.1 73,-2.5 1,-0.2 2,-0.3 0.660 135.2 43.3-107.2 -31.2 30.1 18.0 66.0 14 119 A T E + 0 0 0 -2,-1.4 4,-2.4 67,-0.1 -1,-0.2 0.357 33.0 99.4-131.2 -2.5 33.0 20.1 57.8 17 122 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 168,-0.3 5,-0.2 0.914 88.2 49.4 -59.2 -40.8 34.1 23.7 58.2 18 123 A Y H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.838 110.6 49.3 -68.2 -29.4 36.9 23.1 55.6 19 124 A Q H > S+ 0 0 16 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.880 110.7 51.9 -73.7 -35.0 34.5 21.5 53.2 20 125 A N H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.937 109.9 48.0 -64.8 -46.1 32.2 24.4 53.7 21 126 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.918 112.3 50.2 -56.1 -46.2 35.0 26.9 52.9 22 127 A A H X S+ 0 0 38 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.813 109.0 50.6 -67.5 -32.2 35.9 24.9 49.8 23 128 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.825 110.1 50.5 -74.8 -32.3 32.3 24.8 48.5 24 129 A W H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.906 110.2 49.7 -69.3 -40.5 32.0 28.6 48.9 25 130 A K H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.866 109.2 51.2 -66.3 -38.2 35.3 29.1 47.1 26 131 A E H X S+ 0 0 90 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.914 113.4 46.1 -63.3 -43.4 34.1 26.9 44.2 27 132 A A H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.865 112.1 50.7 -67.0 -41.7 30.9 28.9 44.0 28 133 A L H ><>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 3,-0.8 0.932 109.8 48.7 -63.7 -47.5 32.7 32.2 44.2 29 134 A D H ><5S+ 0 0 61 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.899 104.3 59.3 -63.8 -38.0 35.1 31.4 41.4 30 135 A A H 3<5S+ 0 0 50 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.789 110.4 43.9 -57.7 -28.0 32.4 30.2 39.1 31 136 A E T <<5S- 0 0 29 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.209 117.7-119.1 -99.1 12.3 30.9 33.7 39.5 32 137 A N T < 5 + 0 0 134 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.898 64.5 146.0 46.2 48.7 34.4 35.2 39.0 33 138 A I < - 0 0 23 -5,-2.4 -1,-0.2 -8,-0.1 2,-0.1 -0.914 41.2-144.9-111.1 101.9 34.3 36.8 42.5 34 139 A P + 0 0 110 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 -0.432 31.7 155.1 -68.4 135.1 37.9 36.7 43.9 35 140 A L - 0 0 29 -2,-0.1 -6,-0.1 -10,-0.1 -7,-0.1 -0.858 41.6-114.5-162.5 128.6 38.2 36.1 47.6 36 141 A A > - 0 0 8 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.243 26.7-123.2 -62.3 146.8 40.9 34.7 49.9 37 142 A X H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.879 109.1 58.5 -57.9 -44.2 40.1 31.4 51.7 38 143 A W H > S+ 0 0 9 1011,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.894 104.9 51.4 -55.8 -39.6 40.8 32.9 55.2 39 144 A R H > S+ 0 0 28 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.911 111.4 46.7 -64.9 -43.6 38.1 35.6 54.6 40 145 A I H >X S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.2 4,-1.1 0.958 111.4 52.7 -58.1 -48.8 35.6 32.9 53.6 41 146 A H H >< S+ 0 0 8 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.898 100.5 60.7 -56.2 -45.1 36.6 30.9 56.7 42 147 A R H 3< S+ 0 0 68 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.738 108.2 46.4 -54.7 -24.7 36.1 33.8 59.0 43 148 A K H X< S+ 0 0 17 -3,-1.6 3,-2.5 -4,-0.6 -1,-0.2 0.710 75.2 119.6 -96.7 -21.9 32.4 33.9 58.0 44 149 A I T << S+ 0 0 2 -4,-1.1 124,-0.2 -3,-0.7 3,-0.1 -0.216 73.0 43.2 -51.0 125.4 31.4 30.2 58.1 45 150 A G T 3 S+ 0 0 14 1,-0.7 95,-0.4 123,-0.1 -1,-0.3 0.098 90.3 99.8 116.8 -21.9 28.6 30.1 60.7 46 151 A X S < S- 0 0 11 -3,-2.5 -1,-0.7 1,-0.1 2,-0.1 -0.454 87.7 -90.4 -78.9 167.5 26.7 33.2 59.5 47 152 A S > - 0 0 8 93,-1.0 4,-3.0 -2,-0.1 5,-0.2 -0.472 38.2-108.7 -72.0 154.0 23.7 32.7 57.3 48 153 A G H > S+ 0 0 33 60,-0.4 4,-2.0 1,-0.2 5,-0.2 0.793 119.1 52.9 -47.8 -32.7 24.4 32.7 53.6 49 154 A G H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 112.6 39.9 -74.4 -50.0 22.7 36.1 53.3 50 155 A L H > S+ 0 0 51 2,-0.2 4,-3.7 3,-0.2 5,-0.3 0.896 114.1 59.1 -58.8 -44.9 24.7 37.8 56.0 51 156 A X H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.958 111.0 36.1 -51.1 -61.6 27.7 36.0 54.7 52 157 A L H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.873 118.7 52.2 -64.4 -40.0 27.6 37.4 51.2 53 158 A K H X S+ 0 0 144 -4,-2.0 4,-1.4 -5,-0.2 3,-0.4 0.984 112.9 43.5 -55.9 -61.3 26.4 40.8 52.4 54 159 A S H X S+ 0 0 3 -4,-3.7 4,-1.4 1,-0.2 -2,-0.2 0.822 110.3 60.1 -52.7 -35.1 29.3 41.0 54.9 55 160 A L H < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.924 99.9 53.1 -60.4 -50.5 31.6 39.7 52.1 56 161 A S H < S+ 0 0 53 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.930 104.4 55.0 -53.4 -54.1 30.9 42.6 49.7 57 162 A R H < 0 0 196 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.920 360.0 360.0 -43.6 -53.1 31.7 45.3 52.3 58 163 A E < 0 0 77 -4,-1.4 -19,-0.0 -19,-0.0 0, 0.0 -0.241 360.0 360.0 -61.7 360.0 35.1 43.7 52.9 59 ! 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 60 168 A I 0 0 67 0, 0.0 -4,-0.1 0, 0.0 613,-0.1 0.000 360.0 360.0 360.0 113.0 26.5 41.2 45.2 61 169 A T > - 0 0 7 1,-0.1 4,-2.3 4,-0.0 612,-0.1 -0.067 360.0-121.1 -57.9 161.2 23.2 41.1 43.4 62 170 A D H > S+ 0 0 75 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.893 118.3 50.7 -70.0 -44.7 20.2 39.0 44.7 63 171 A E H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.970 115.0 43.3 -49.6 -60.2 20.2 37.2 41.4 64 172 A Q H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.887 111.3 56.1 -50.6 -46.5 24.0 36.6 41.9 65 173 A A H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.864 106.7 48.6 -58.8 -39.4 23.4 35.7 45.5 66 174 A E H X S+ 0 0 127 -4,-2.3 4,-2.0 -3,-0.3 -1,-0.2 0.843 108.7 52.9 -74.6 -32.0 20.9 33.0 44.7 67 175 A R H X S+ 0 0 113 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.912 111.2 48.0 -64.5 -43.0 23.2 31.4 42.1 68 176 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.879 109.2 52.3 -65.5 -42.3 26.0 31.3 44.8 69 177 A S H X S+ 0 0 68 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.910 115.4 41.2 -61.0 -43.9 23.7 29.8 47.4 70 178 A E H X S+ 0 0 124 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.821 114.7 51.2 -72.8 -35.0 22.7 27.0 44.9 71 179 A K H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 111.2 48.7 -70.5 -40.3 26.2 26.5 43.6 72 180 A H H X S+ 0 0 18 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.903 110.0 51.6 -63.3 -43.0 27.5 26.2 47.2 73 181 A A H X S+ 0 0 26 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.861 112.3 45.8 -66.2 -35.8 24.8 23.7 48.1 74 182 A Q H X S+ 0 0 91 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.889 114.3 47.8 -70.9 -42.9 25.7 21.5 45.1 75 183 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.886 110.6 52.0 -66.3 -38.9 29.4 21.8 45.8 76 184 A Y H < S+ 0 0 1 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.849 106.8 53.9 -65.8 -35.9 28.9 20.9 49.4 77 185 A E H >< S+ 0 0 100 -4,-1.4 3,-2.0 1,-0.2 4,-0.3 0.916 102.2 57.3 -61.7 -44.9 26.9 17.9 48.4 78 186 A R H 3< S+ 0 0 142 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.750 108.6 48.8 -58.5 -22.7 29.8 16.7 46.3 79 187 A L T >X S+ 0 0 44 -4,-0.8 3,-1.6 -3,-0.4 4,-0.5 0.354 77.0 107.0 -99.3 4.9 32.0 16.8 49.4 80 188 A Q G X4 S+ 0 0 91 -3,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.842 73.2 58.4 -56.4 -36.7 29.6 14.9 51.7 81 189 A H G 34 S+ 0 0 162 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.721 98.5 60.8 -67.3 -20.0 31.8 11.7 51.8 82 190 A Q G <4 S+ 0 0 93 -3,-1.6 2,-0.4 -4,-0.1 -1,-0.3 0.654 86.4 96.5 -81.4 -14.9 34.7 13.6 53.1 83 191 A I << + 0 0 10 -3,-1.4 2,-0.3 -4,-0.5 -67,-0.1 -0.605 48.9 170.6 -81.7 128.6 32.9 14.7 56.2 84 192 A I E -G 15 0B 83 -69,-0.5 -69,-2.4 -2,-0.4 37,-0.1 -0.971 39.1 -88.4-133.8 155.3 33.2 12.7 59.5 85 193 A A E -G 14 0B 32 35,-0.7 -71,-0.3 -2,-0.3 3,-0.1 -0.159 44.7-117.4 -46.9 145.2 32.3 13.1 63.2 86 194 A L > - 0 0 3 -73,-2.5 3,-2.3 1,-0.1 4,-0.4 -0.665 48.2 -78.0 -84.8 150.2 34.7 14.9 65.3 87 195 A P T 3 S+ 0 0 62 0, 0.0 119,-1.2 0, 0.0 120,-0.2 -0.125 116.2 8.6 -51.2 138.3 36.3 12.9 68.2 88 196 A G T 3> S+ 0 0 17 117,-0.2 4,-3.0 118,-0.1 5,-0.2 0.265 94.1 113.1 78.2 -12.5 33.9 12.5 71.1 89 197 A A H <> S+ 0 0 0 -3,-2.3 4,-2.2 2,-0.2 5,-0.2 0.956 81.3 40.8 -59.9 -50.9 30.9 14.0 69.3 90 198 A V H > S+ 0 0 59 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.938 117.5 48.5 -62.3 -45.3 28.9 10.8 69.2 91 199 A E H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.887 109.8 53.0 -62.2 -41.8 29.9 9.8 72.8 92 200 A L H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.940 110.2 46.0 -59.5 -51.4 29.0 13.3 74.1 93 201 A L H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.902 115.8 47.6 -58.5 -39.5 25.5 13.2 72.7 94 202 A E H X S+ 0 0 119 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.883 109.5 52.8 -70.5 -40.4 25.0 9.7 74.0 95 203 A T H X S+ 0 0 30 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.882 109.4 49.7 -57.4 -45.3 26.4 10.7 77.4 96 204 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 -2,-0.2 0.931 113.0 46.6 -57.5 -49.3 23.8 13.5 77.5 97 205 A D H ><5S+ 0 0 85 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.971 110.6 52.1 -56.7 -56.0 21.0 11.1 76.6 98 206 A K H 3<5S+ 0 0 173 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.3 45.4 -47.5 -42.3 22.2 8.6 79.2 99 207 A E T 3<5S- 0 0 96 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.311 112.9-119.1 -87.5 9.9 22.1 11.4 81.7 100 208 A N T < 5 + 0 0 138 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.761 60.9 151.9 55.4 28.3 18.7 12.7 80.6 101 209 A L < - 0 0 14 -5,-2.7 -1,-0.2 -6,-0.2 -97,-0.1 -0.801 44.4-124.9 -87.8 124.4 20.2 16.1 79.7 102 210 A K + 0 0 109 -2,-0.5 -97,-2.5 -99,-0.2 2,-0.3 -0.427 33.3 177.7 -73.1 141.9 18.2 17.8 76.9 103 211 A W E -b 5 0A 23 -99,-0.2 2,-0.3 -2,-0.1 26,-0.3 -0.976 12.8-172.4-139.5 158.0 20.0 18.9 73.8 104 212 A C E -b 6 0A 0 -99,-2.4 -97,-2.6 -2,-0.3 2,-0.3 -0.993 20.4-132.0-145.8 143.6 19.2 20.5 70.4 105 213 A I E -bc 7 130A 0 24,-2.3 26,-1.9 -2,-0.3 2,-0.4 -0.762 21.4-172.9 -96.4 144.4 21.2 21.2 67.3 106 214 A A E + c 0 131A 0 -99,-2.8 2,-0.3 -2,-0.3 -97,-0.3 -0.931 8.0 174.4-144.4 111.2 21.0 24.7 65.8 107 215 A T - 0 0 7 24,-2.5 26,-0.2 -2,-0.4 7,-0.1 -0.909 36.5-142.1-126.9 147.1 22.6 25.5 62.4 108 216 A S S S+ 0 0 12 -2,-0.3 -60,-0.4 24,-0.2 2,-0.1 0.475 82.9 87.8 -78.8 -7.7 22.7 28.5 60.1 109 217 A G S S- 0 0 21 1,-0.1 24,-2.9 -62,-0.1 25,-0.4 -0.387 82.8-107.9 -84.9 170.9 22.6 26.1 57.1 110 218 A G > - 0 0 20 22,-0.2 4,-2.0 23,-0.2 5,-0.2 -0.142 42.8 -84.0 -84.9-172.6 19.4 24.8 55.5 111 219 A I H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.821 123.7 59.0 -61.6 -33.8 18.0 21.2 55.7 112 220 A D H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 110.4 36.9 -68.8 -52.1 20.2 20.1 52.9 113 221 A T H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 117.2 54.8 -65.2 -40.3 23.6 20.8 54.4 114 222 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.953 106.2 50.7 -56.7 -50.0 22.3 19.8 57.8 115 223 A T H X S+ 0 0 45 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.918 109.3 50.9 -55.4 -49.1 21.2 16.4 56.6 116 224 A I H X S+ 0 0 14 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.890 113.0 46.0 -53.1 -43.7 24.6 15.7 55.0 117 225 A N H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.893 109.1 54.7 -71.3 -36.5 26.3 16.6 58.3 118 226 A L H ><>S+ 0 0 1 -4,-2.8 5,-2.7 1,-0.3 3,-1.0 0.791 95.7 67.1 -68.4 -28.2 23.9 14.5 60.4 119 227 A K H ><5S+ 0 0 141 -4,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.821 95.3 57.3 -59.9 -32.8 24.7 11.4 58.3 120 228 A A T <<5S+ 0 0 31 -3,-0.9 -35,-0.7 -4,-0.6 -1,-0.3 0.703 110.8 42.4 -72.0 -21.1 28.2 11.5 59.8 121 229 A L T < 5S- 0 0 10 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.397 113.9-123.9 -95.2 -3.8 26.7 11.3 63.2 122 230 A K T < 5 + 0 0 187 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.934 59.7 152.7 52.5 49.0 24.3 8.7 61.9 123 231 A L < - 0 0 48 -5,-2.7 2,-0.7 -8,-0.2 -1,-0.2 -0.857 47.4-132.7-108.3 143.8 21.5 10.9 63.1 124 232 A D > - 0 0 92 -2,-0.4 3,-2.7 1,-0.1 4,-0.4 -0.861 12.6-147.6 -93.4 116.0 18.0 11.0 61.6 125 233 A I T 3 S+ 0 0 25 -2,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.777 101.0 47.8 -55.5 -27.3 17.0 14.6 61.1 126 234 A N T 3 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.412 108.6 55.5 -92.7 -1.1 13.4 13.7 61.8 127 235 A K S < S+ 0 0 155 -3,-2.7 2,-0.3 2,-0.0 -1,-0.2 0.268 105.4 53.8-113.5 9.9 14.3 11.7 64.9 128 236 A I S S- 0 0 35 -3,-0.5 2,-0.7 -4,-0.4 -24,-0.1 -0.901 89.8 -93.3-137.2 164.9 16.2 14.4 66.8 129 237 A N + 0 0 68 -2,-0.3 -24,-2.3 -26,-0.3 2,-0.3 -0.742 60.5 150.4 -80.0 113.2 15.8 18.0 68.1 130 238 A I E -c 105 0A 13 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.995 30.5-163.7-146.6 149.8 17.2 20.3 65.4 131 239 A V E -c 106 0A 3 -26,-1.9 -24,-2.5 -2,-0.3 2,-0.2 -1.000 16.1-176.1-134.9 130.1 16.7 23.8 64.1 132 240 A T > - 0 0 1 -2,-0.4 3,-2.4 -26,-0.2 4,-0.2 -0.692 46.1 -92.0-119.6 175.1 17.9 25.1 60.8 133 241 A R G > S+ 0 0 73 -24,-2.9 3,-0.7 1,-0.3 -23,-0.2 0.691 121.8 66.2 -57.0 -21.6 18.0 28.3 58.8 134 242 A D G 3 S+ 0 0 104 -25,-0.4 -1,-0.3 1,-0.2 -24,-0.1 0.618 97.3 54.6 -77.5 -11.4 14.8 27.1 57.2 135 243 A D G < S+ 0 0 87 -3,-2.4 2,-0.3 0, 0.0 -1,-0.2 0.380 109.1 42.2-102.9 0.2 13.0 27.5 60.6 136 244 A V S < S- 0 0 26 -3,-0.7 3,-0.1 -4,-0.2 9,-0.0 -0.869 74.5-118.2-139.1 175.8 13.9 31.1 61.4 137 245 A S S S+ 0 0 75 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.907 94.6 20.4 -80.0 -44.7 14.2 34.6 59.9 138 246 A Y - 0 0 139 -89,-0.0 7,-0.4 -88,-0.0 -1,-0.2 -0.959 67.4-141.2-131.6 146.0 17.9 35.2 60.5 139 247 A G > - 0 0 2 -2,-0.3 3,-1.7 1,-0.2 5,-0.2 -0.233 51.7 -11.5 -90.3-174.3 20.9 33.1 61.1 140 248 A K T 3 S+ 0 0 0 -95,-0.4 -93,-1.0 1,-0.3 -1,-0.2 -0.223 117.4 33.4 -60.0 149.8 23.9 33.7 63.4 141 249 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.965 104.4 88.7 -84.6 7.6 25.0 35.9 65.0 142 250 A D S X S- 0 0 39 -3,-1.7 3,-0.5 1,-0.1 4,-0.2 -0.512 83.2-130.2 -61.5 138.9 21.3 36.8 65.4 143 251 A P T 3> S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.284 80.1 106.3 -70.1 3.4 20.0 34.9 68.5 144 252 A D H 3> S+ 0 0 50 1,-0.2 4,-2.4 -5,-0.2 5,-0.1 0.905 77.2 45.3 -56.0 -52.6 17.0 33.5 66.5 145 253 A L H <> S+ 0 0 0 -3,-0.5 4,-3.0 -7,-0.4 -1,-0.2 0.869 113.4 49.1 -60.1 -44.0 18.2 29.9 66.1 146 254 A F H > S+ 0 0 1 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 112.0 49.8 -68.5 -34.9 19.3 29.5 69.7 147 255 A L H X S+ 0 0 76 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.890 111.5 48.5 -67.7 -40.4 16.0 30.9 70.8 148 256 A A H X S+ 0 0 17 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.954 111.9 50.7 -60.4 -48.5 14.2 28.5 68.5 149 257 A A H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.872 108.7 49.5 -59.0 -44.3 16.3 25.7 69.9 150 258 A A H <>S+ 0 0 4 -4,-2.3 5,-2.4 1,-0.2 4,-0.3 0.888 112.3 49.7 -62.3 -40.1 15.6 26.5 73.6 151 259 A K H ><5S+ 0 0 169 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.884 105.5 56.5 -64.5 -40.8 11.9 26.6 72.7 152 260 A K H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.765 113.7 39.5 -66.9 -26.0 12.0 23.3 71.0 153 261 A I T 3<5S- 0 0 12 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.348 111.5-118.7-105.0 7.4 13.4 21.6 74.1 154 262 A G T < 5 + 0 0 66 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.884 68.7 127.7 61.9 44.2 11.3 23.5 76.6 155 263 A A < - 0 0 14 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.978 66.1-104.5-131.0 147.1 14.1 25.2 78.5 156 264 A P > - 0 0 69 0, 0.0 3,-2.4 0, 0.0 -152,-0.1 -0.455 28.3-129.7 -65.7 136.1 14.8 28.9 79.4 157 265 A I G > S+ 0 0 28 1,-0.3 3,-1.2 2,-0.2 19,-0.1 0.745 107.8 67.8 -59.9 -20.3 17.6 30.2 77.1 158 266 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 20,-0.1 19,-0.0 0.544 97.7 48.0 -76.9 -12.1 19.1 31.3 80.4 159 267 A E G < S+ 0 0 83 -3,-2.4 -155,-1.7 19,-0.1 2,-0.4 0.080 95.3 107.1-114.4 19.1 19.8 27.8 81.5 160 268 A C E < -a 4 0A 3 -3,-1.2 19,-1.7 -157,-0.2 2,-0.6 -0.809 58.8-146.8-105.6 142.5 21.3 26.8 78.2 161 269 A L E -ad 5 179A 3 -157,-2.7 -155,-2.9 -2,-0.4 2,-0.6 -0.930 15.8-151.5 -92.3 117.4 24.9 26.1 77.2 162 270 A V E -ad 6 180A 0 17,-3.0 19,-2.8 -2,-0.6 2,-0.6 -0.836 10.1-163.7 -87.7 124.4 25.6 27.1 73.6 163 271 A I E +ad 7 181A 1 -157,-3.4 -155,-2.9 -2,-0.6 2,-0.3 -0.931 26.0 145.2-111.4 111.3 28.4 24.9 72.2 164 272 A G E - d 0 182A 0 17,-2.2 19,-2.0 -2,-0.6 22,-0.1 -0.889 47.3-145.3-141.1 171.9 29.9 26.3 69.0 165 273 A D S S+ 0 0 4 -2,-0.3 23,-0.4 17,-0.2 2,-0.3 0.444 75.9 73.0-114.8 -9.7 33.1 26.6 67.1 166 274 A A S > S- 0 0 0 1,-0.1 4,-1.8 21,-0.1 3,-0.4 -0.763 80.3-121.2-116.2 157.5 32.7 30.1 65.6 167 275 A I H > S+ 0 0 34 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.887 114.8 59.4 -53.2 -40.3 32.7 33.7 66.7 168 276 A W H > S+ 0 0 37 -124,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.834 103.3 50.5 -63.3 -34.4 29.1 33.9 65.4 169 277 A D H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.938 112.8 46.2 -63.4 -47.1 28.0 31.2 67.8 170 278 A X H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.900 112.6 50.1 -65.9 -42.7 29.6 33.0 70.7 171 279 A L H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.943 112.1 46.7 -59.2 -54.1 28.1 36.3 69.6 172 280 A A H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 6,-0.2 0.863 109.8 55.5 -56.5 -41.3 24.6 34.9 69.3 173 281 A A H ><>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 3,-0.8 0.953 112.0 41.6 -56.6 -51.8 25.0 33.1 72.7 174 282 A R H ><5S+ 0 0 112 -4,-2.2 3,-1.9 22,-0.3 -2,-0.2 0.877 107.1 63.0 -66.8 -35.8 25.8 36.4 74.5 175 283 A R H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 112.2 36.6 -63.5 -22.6 23.2 38.3 72.6 176 284 A C T <<5S- 0 0 11 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.131 118.4-110.1-111.9 20.7 20.5 36.0 74.2 177 285 A K T < 5 + 0 0 128 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.743 69.2 145.1 61.9 26.5 22.3 35.9 77.5 178 286 A A < - 0 0 0 -5,-3.1 2,-0.5 -6,-0.2 -1,-0.2 -0.584 58.0-106.3 -86.9 156.3 23.3 32.2 77.1 179 287 A T E -d 161 0A 57 -19,-1.7 -17,-3.0 -2,-0.2 2,-0.4 -0.726 40.9-150.2 -81.9 129.8 26.5 30.7 78.5 180 288 A G E -d 162 0A 2 -2,-0.5 19,-3.2 17,-0.5 20,-0.8 -0.849 15.3-170.2-111.0 137.0 28.8 30.1 75.5 181 289 A V E -de 163 200A 0 -19,-2.8 -17,-2.2 -2,-0.4 2,-0.4 -0.992 15.4-144.3-125.4 130.8 31.6 27.5 75.1 182 290 A G E -de 164 201A 0 18,-2.8 20,-3.1 -2,-0.4 2,-0.4 -0.752 5.8-157.1-101.2 141.1 34.0 27.5 72.2 183 291 A L E > - e 0 202A 1 -19,-2.0 3,-0.6 -2,-0.4 5,-0.3 -0.930 12.7-149.8-113.1 138.4 35.5 24.6 70.3 184 292 A L G > S+ 0 0 28 18,-2.1 3,-2.3 -2,-0.4 20,-0.2 0.562 79.7 93.0 -76.5 -9.1 38.8 24.9 68.3 185 293 A S G 3 S+ 0 0 0 18,-0.5 714,-0.3 1,-0.3 -168,-0.3 0.453 77.1 60.7 -74.5 -0.1 37.6 22.2 65.8 186 294 A G G < S- 0 0 0 -3,-0.6 -1,-0.3 -21,-0.2 -2,-0.1 0.387 117.8-108.2-101.7 0.9 36.2 24.9 63.5 187 295 A G S < S+ 0 0 18 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.526 77.9 129.8 80.2 4.3 39.6 26.5 63.0 188 296 A Y - 0 0 11 -23,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.667 57.7-118.6 -81.4 148.9 38.9 29.6 65.1 189 297 A D > - 0 0 8 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.430 18.0-110.8 -86.8 165.9 41.5 30.5 67.8 190 298 A I H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 118.1 54.9 -60.9 -39.5 41.0 30.6 71.5 191 299 A G H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 109.5 46.1 -59.2 -50.0 41.6 34.4 71.4 192 300 A E H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.951 113.6 48.3 -55.4 -55.0 38.8 34.9 68.8 193 301 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-0.3 0.919 113.8 46.9 -56.4 -45.2 36.3 32.7 70.6 194 302 A E H ><5S+ 0 0 88 -4,-2.6 3,-1.5 3,-0.2 -1,-0.2 0.896 109.4 52.5 -63.7 -42.4 37.0 34.4 74.0 195 303 A R H 3<5S+ 0 0 196 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 107.6 53.8 -68.8 -20.8 36.7 37.9 72.6 196 304 A A T 3<5S- 0 0 10 -4,-1.6 -22,-0.3 -3,-0.3 -1,-0.3 0.395 135.1 -85.6 -89.4 0.9 33.3 36.9 71.1 197 305 A G T < 5 + 0 0 25 -3,-1.5 -17,-0.5 1,-0.3 -3,-0.2 0.437 69.7 156.7 117.8 -0.3 32.1 35.8 74.5 198 306 A A < - 0 0 10 -5,-2.5 -1,-0.3 -6,-0.2 -17,-0.2 -0.366 25.1-163.8 -62.7 134.3 33.2 32.2 75.1 199 307 A L S S+ 0 0 104 -19,-3.2 2,-0.3 1,-0.3 -18,-0.2 0.824 79.3 11.1 -87.1 -38.2 33.4 31.4 78.8 200 308 A R E -e 181 0A 114 -20,-0.8 -18,-2.8 -7,-0.1 2,-0.4 -0.970 69.4-153.2-134.6 151.4 35.5 28.3 78.2 201 309 A V E -e 182 0A 20 -2,-0.3 2,-0.2 -20,-0.2 -18,-0.2 -0.994 15.5-179.4-128.1 126.7 37.3 27.0 75.1 202 310 A Y E -e 183 0A 12 -20,-3.1 -18,-2.1 -2,-0.4 -17,-0.2 -0.762 34.7-117.9-117.6 168.7 38.0 23.4 74.4 203 311 A E S S- 0 0 66 -2,-0.2 -18,-0.5 -20,-0.2 -1,-0.1 0.926 81.2 -37.7 -69.8 -47.1 39.7 21.5 71.6 204 312 A D S > S- 0 0 7 -20,-0.2 4,-2.5 -21,-0.1 3,-0.3 -0.909 78.8 -66.2-168.5 178.5 36.8 19.4 70.3 205 313 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -117,-0.2 0.820 130.0 54.0 -58.8 -28.9 33.7 17.4 71.7 206 314 A L H > S+ 0 0 65 -119,-1.2 4,-2.4 2,-0.2 5,-0.1 0.913 108.9 46.8 -67.7 -46.9 36.1 14.9 73.4 207 315 A D H > S+ 0 0 36 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.923 115.0 48.1 -56.9 -45.9 38.0 17.7 75.3 208 316 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 2,-0.2 -2,-0.2 0.946 110.1 50.2 -59.4 -51.2 34.6 19.2 76.3 209 317 A L H >< S+ 0 0 25 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.905 108.6 54.3 -56.3 -43.5 33.2 15.9 77.4 210 318 A N H 3< S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.732 117.8 35.4 -61.1 -23.9 36.3 15.3 79.5 211 319 A H T X< S+ 0 0 66 -3,-1.1 3,-1.9 -4,-0.9 4,-0.5 0.108 78.6 128.0-115.2 21.3 35.8 18.7 81.2 212 320 A L G X> + 0 0 18 -3,-1.4 4,-2.4 1,-0.3 3,-0.9 0.740 66.7 59.7 -55.8 -29.7 32.0 18.6 81.3 213 321 A D G 34 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.712 94.8 60.9 -73.9 -25.1 31.9 19.3 85.0 214 322 A E G <4 S+ 0 0 118 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.669 122.5 23.8 -65.6 -15.5 33.6 22.7 84.8 215 323 A I T <4 S+ 0 0 23 -3,-0.9 2,-0.3 -4,-0.5 -2,-0.2 0.668 113.3 53.8-133.5 -27.7 30.8 23.8 82.6 216 324 A A < 0 0 16 -4,-2.4 -1,-0.2 -213,-0.1 -214,-0.1 -0.923 360.0 360.0-125.2 147.0 27.6 21.9 83.0 217 325 A S 0 0 103 -2,-0.3 -214,-1.8 -216,-0.1 -4,-0.1 -0.851 360.0 360.0 -93.4 360.0 25.3 21.1 85.9 218 !* 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 0.0 219 107 B Q 0 0 154 0, 0.0 2,-0.3 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 149.0 -14.4 6.9 9.2 220 108 B T - 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