==== 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 12-JUN-09 3HTW . COMPND 2 MOLECULE: ORGANOPHOSPHATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR R.HAWWA,S.LARSEN,K.RATIA,A.MESECAR . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 . 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 . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.7 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 2 0 0 2 2 1 1 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 1 102 A T 0 0 117 0, 0.0 9,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 148.8 13.5 69.4 42.4 2 103 A A E -A 9 0A 2 7,-2.0 7,-2.4 168,-0.0 2,-0.7 -0.551 360.0-132.5 -82.3 146.0 12.5 66.3 44.4 3 104 A Q E +A 8 0A 35 5,-0.2 88,-0.3 318,-0.2 5,-0.2 -0.891 30.2 179.0-103.0 115.1 14.0 65.7 47.8 4 105 A T E > -A 7 0A 1 3,-2.3 3,-2.0 -2,-0.7 133,-0.4 -0.616 46.7 -97.2-108.0 170.5 15.3 62.1 48.2 5 106 A V T 3 S+ 0 0 3 84,-2.9 85,-0.1 1,-0.3 3,-0.1 0.575 127.5 44.3 -65.5 -7.1 17.0 60.4 51.2 6 107 A T T 3 S- 0 0 68 1,-0.5 -1,-0.3 83,-0.3 2,-0.2 0.272 127.6 -80.5-117.1 9.5 20.3 61.1 49.5 7 108 A G E < -A 4 0A 24 -3,-2.0 -3,-2.3 130,-0.2 -1,-0.5 -0.672 68.2 -29.3 123.4-179.2 19.5 64.6 48.4 8 109 A A E -A 3 0A 59 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.496 49.9-171.4 -77.2 142.1 17.7 66.6 45.7 9 110 A V E -A 2 0A 10 -7,-2.4 -7,-2.0 -2,-0.2 2,-0.1 -0.970 29.0-106.5-130.1 146.3 17.3 65.2 42.2 10 111 A A >> - 0 0 34 -2,-0.3 3,-2.6 -9,-0.2 4,-0.6 -0.438 30.0-114.5 -71.6 146.3 16.0 67.1 39.2 11 112 A A G >4 S+ 0 0 34 311,-0.4 3,-1.2 1,-0.3 4,-0.5 0.852 118.0 60.7 -46.5 -36.8 12.5 66.2 38.0 12 113 A A G 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.705 99.6 53.4 -67.0 -22.7 14.3 64.9 34.9 13 114 A Q G <4 S+ 0 0 97 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.498 85.6 84.1 -92.9 -1.3 16.3 62.3 36.8 14 115 A L << + 0 0 2 -3,-1.2 47,-0.3 -4,-0.6 -1,-0.2 0.903 66.6 171.9 -67.1 -39.8 13.4 60.6 38.6 15 116 A G - 0 0 15 -4,-0.5 45,-0.1 -3,-0.2 -1,-0.1 -0.159 52.9 -0.0 62.8-161.0 12.6 58.3 35.6 16 117 A A E S-b 60 0B 22 43,-0.6 45,-2.0 301,-0.1 46,-1.8 -0.384 82.9-166.6 -61.4 135.8 10.0 55.6 36.0 17 118 A T E -b 62 0B 7 296,-2.3 243,-0.2 44,-0.2 46,-0.2 -0.959 32.2-146.8-133.9 144.6 8.6 55.7 39.5 18 119 A L E -b 63 0B 7 44,-2.0 46,-2.6 -2,-0.3 3,-0.2 -0.958 22.5-161.9-108.1 106.8 6.5 53.6 41.9 19 120 A P E S+ 0 0 2 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.413 71.3 33.9 -71.5 -3.0 4.7 56.4 43.9 20 121 A H E S+ 0 0 0 240,-0.2 243,-1.9 45,-0.1 242,-0.4 -0.627 73.1 120.5-159.9 99.7 3.7 54.3 46.9 21 122 A E E -b 65 0B 0 43,-2.0 45,-2.1 242,-0.2 2,-0.4 -0.882 46.4-127.6-146.0 174.1 5.6 51.4 48.5 22 123 A H E -d 265 0C 3 242,-2.2 244,-2.7 -2,-0.3 245,-0.4 -0.935 10.5-171.7-134.0 109.6 7.2 50.5 51.8 23 124 A V E S+ 0 0 0 -2,-0.4 244,-1.1 1,-0.3 2,-0.3 0.976 88.1 3.1 -62.0 -51.9 10.8 49.4 52.1 24 125 A I E S+d 267 0C 4 242,-0.2 2,-0.3 241,-0.1 -1,-0.3 -0.948 77.2 174.0-130.8 153.4 10.1 48.6 55.8 25 126 A F E -d 268 0C 8 242,-1.4 244,-3.3 -2,-0.3 2,-0.3 -0.982 11.7-177.5-158.4 147.0 6.9 48.7 57.7 26 127 A G - 0 0 0 45,-2.1 47,-0.1 -2,-0.3 244,-0.1 -0.984 29.9-121.0-147.1 135.0 5.5 47.8 61.1 27 128 A Y > - 0 0 120 242,-0.3 3,-2.4 -2,-0.3 4,-0.2 -0.507 54.8 -82.4 -70.8 143.0 1.9 48.2 62.4 28 129 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.267 121.8 38.5 -49.6 126.6 1.9 50.4 65.5 29 130 A G T >> S+ 0 0 57 -3,-0.1 3,-1.9 73,-0.0 4,-0.5 0.002 79.2 110.0 117.4 -22.4 2.8 48.2 68.5 30 131 A Y G X4 S+ 0 0 73 -3,-2.4 3,-1.3 1,-0.3 7,-0.1 0.819 72.5 62.0 -52.6 -33.8 5.5 46.2 66.7 31 132 A A G >4 S+ 0 0 61 1,-0.3 3,-0.9 -4,-0.2 -1,-0.3 0.768 95.3 59.9 -66.7 -24.9 8.2 48.0 68.8 32 133 A G G <4 S+ 0 0 73 -3,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.676 99.4 58.0 -75.5 -14.5 6.7 46.5 71.9 33 134 A D G - 0 0 99 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 -0.793 11.6-170.0 -93.0 93.3 17.9 42.1 61.8 41 142 A H H > S+ 0 0 74 -2,-1.2 4,-2.7 1,-0.2 5,-0.2 0.917 80.4 48.9 -52.8 -50.1 19.7 45.0 60.2 42 143 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 114.3 46.3 -58.8 -43.0 22.1 43.0 58.0 43 144 A A H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 113.4 48.4 -67.5 -40.0 19.2 40.7 56.8 44 145 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.927 111.5 49.9 -66.3 -44.0 16.9 43.6 56.0 45 146 A L H X S+ 0 0 42 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.910 112.9 46.6 -60.9 -43.9 19.6 45.5 54.1 46 147 A A H X S+ 0 0 54 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.952 116.4 44.0 -63.3 -50.4 20.5 42.5 52.0 47 148 A S H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.948 116.0 46.1 -61.2 -51.1 16.9 41.7 51.3 48 149 A C H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.863 111.0 52.8 -63.3 -35.5 15.9 45.3 50.5 49 150 A T H X S+ 0 0 10 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.881 108.4 50.2 -69.8 -35.4 18.9 45.9 48.3 50 151 A E H X S+ 0 0 119 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.915 111.4 48.6 -67.0 -40.0 18.2 42.9 46.2 51 152 A T H X S+ 0 0 33 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.930 111.6 50.8 -62.9 -43.0 14.6 44.1 45.8 52 153 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 108.3 51.4 -60.7 -43.4 15.9 47.5 44.8 53 154 A R H X S+ 0 0 109 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.874 106.5 54.6 -63.6 -36.3 18.3 46.0 42.3 54 155 A A H X S+ 0 0 25 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.849 107.8 49.7 -65.2 -35.6 15.4 44.1 40.7 55 156 A L H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 3,-0.5 0.916 108.7 52.5 -68.7 -43.0 13.4 47.4 40.3 56 157 A L H ><5S+ 0 0 53 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.909 104.4 56.4 -59.1 -39.2 16.5 49.0 38.7 57 158 A A H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.856 104.3 54.0 -60.9 -32.8 16.6 46.0 36.2 58 159 A R T 3<5S- 0 0 86 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.422 124.3-105.4 -79.8 -0.3 13.0 46.9 35.3 59 160 A G T < 5S+ 0 0 42 -3,-1.9 -43,-0.6 1,-0.3 2,-0.6 0.524 74.9 142.5 88.2 2.4 14.0 50.5 34.5 60 161 A I E < +b 16 0B 9 -5,-2.2 -1,-0.3 1,-0.2 -43,-0.2 -0.700 21.0 173.7 -80.5 121.0 12.4 51.8 37.7 61 162 A Q E + 0 0 99 -45,-2.0 27,-2.6 -2,-0.6 2,-0.4 0.666 57.0 41.7-100.8 -20.0 14.7 54.6 39.0 62 163 A T E -bc 17 88B 1 -46,-1.8 -44,-2.0 25,-0.2 2,-0.4 -0.976 51.6-172.1-137.6 143.5 12.6 55.9 41.9 63 164 A V E -bc 18 89B 0 25,-2.5 27,-2.2 -2,-0.4 2,-0.7 -0.994 16.3-146.8-129.9 137.4 10.4 54.7 44.7 64 165 A V E - c 0 90B 0 -46,-2.6 -43,-2.0 -2,-0.4 2,-0.7 -0.923 16.0-149.1-104.3 111.7 8.3 56.9 47.0 65 166 A D E -b 21 0B 2 25,-3.1 27,-0.4 -2,-0.7 -43,-0.2 -0.741 11.9-171.1 -84.3 116.4 8.3 55.3 50.4 66 167 A A + 0 0 0 -45,-2.1 -44,-0.1 -2,-0.7 -1,-0.1 0.182 29.3 143.7 -95.6 18.1 4.9 56.2 52.0 67 168 A T - 0 0 0 -46,-0.3 25,-0.3 -43,-0.1 27,-0.1 -0.414 47.4-127.4 -66.9 120.1 5.5 54.9 55.5 68 169 A P > > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 5,-1.0 -0.183 23.2-109.1 -63.7 154.9 3.9 57.1 58.3 69 170 A N T 3 5S+ 0 0 30 25,-3.6 3,-0.4 1,-0.3 26,-0.2 0.763 120.0 49.6 -54.1 -31.8 6.0 58.4 61.1 70 171 A D T 3 5S+ 0 0 20 24,-0.4 -1,-0.3 1,-0.2 25,-0.1 0.246 99.9 68.1 -95.6 14.4 4.2 56.0 63.5 71 172 A C T < 5S- 0 0 0 -3,-2.1 -45,-2.1 -43,-0.1 -1,-0.2 -0.069 124.9 -72.1-125.0 33.1 4.7 52.9 61.3 72 173 A G T 5 + 0 0 7 -3,-0.4 -3,-0.1 1,-0.2 -2,-0.1 0.567 66.0 176.4 92.2 9.2 8.4 52.1 61.4 73 174 A R < + 0 0 42 -5,-1.0 -1,-0.2 -47,-0.1 -48,-0.1 -0.201 1.9 175.4 -48.9 132.5 9.6 55.0 59.2 74 175 A N > + 0 0 63 -50,-0.1 4,-2.3 1,-0.1 3,-0.4 -0.672 13.4 178.2-145.4 82.6 13.4 54.9 59.1 75 176 A P H > S+ 0 0 12 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.845 84.0 57.8 -55.1 -34.1 15.0 57.5 56.8 76 177 A A H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.908 107.2 46.3 -65.9 -41.4 18.5 56.3 57.7 77 178 A F H > S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.939 110.0 53.9 -65.7 -45.1 17.8 52.8 56.6 78 179 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.865 106.5 53.9 -56.0 -35.4 16.2 54.0 53.4 79 180 A R H X S+ 0 0 84 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.894 105.6 51.7 -67.7 -40.2 19.4 56.0 52.7 80 181 A E H X S+ 0 0 67 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.935 110.6 48.7 -60.8 -45.9 21.6 52.8 53.1 81 182 A V H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 6,-0.4 0.879 114.0 46.8 -60.7 -39.3 19.4 51.0 50.6 82 183 A S H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.2 3,-0.4 0.884 113.0 47.4 -70.9 -41.8 19.7 53.9 48.2 83 184 A E H < S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.811 111.4 52.2 -70.1 -30.5 23.4 54.3 48.6 84 185 A A H < S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.634 126.6 19.1 -80.4 -15.1 24.0 50.6 48.1 85 186 A T H < S- 0 0 23 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.2 0.670 93.2-118.0-126.5 -31.1 22.0 50.3 44.9 86 187 A G < + 0 0 55 -4,-2.6 2,-0.2 1,-0.4 -4,-0.1 0.329 64.7 140.7 101.4 -7.1 21.6 53.7 43.2 87 188 A L - 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0 0 10 -5,-2.4 2,-0.5 4,-0.1 7,-0.3 -0.822 34.1 -83.3 154.4 166.5 15.6 67.1 58.1 131 232 A I S > S- 0 0 4 5,-2.3 3,-2.1 -2,-0.2 5,-0.4 -0.867 96.0 -19.5-106.9 130.7 14.3 64.2 60.1 132 233 A A T 3 S- 0 0 95 -2,-0.5 -1,-0.2 1,-0.3 -6,-0.0 0.782 120.3 -61.7 48.7 33.2 15.5 63.3 63.6 133 234 A G T 3 S+ 0 0 83 -3,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.753 110.4 116.3 69.0 25.2 18.6 65.3 63.1 134 235 A T S < S- 0 0 51 -3,-2.1 -2,-0.1 2,-0.3 3,-0.1 0.560 79.6-122.4 -99.8 -11.5 19.9 63.3 60.2 135 236 A G S S+ 0 0 52 1,-0.3 2,-0.6 -4,-0.1 -3,-0.1 0.366 73.3 129.4 84.1 -9.5 19.9 65.9 57.5 136 237 A I - 0 0 3 -5,-0.4 -5,-2.3 -130,-0.0 -1,-0.3 -0.711 46.3-155.6 -82.6 123.4 17.6 63.6 55.6 137 238 A R - 0 0 84 -2,-0.6 -46,-0.4 -133,-0.4 2,-0.3 -0.695 16.8-113.0-101.6 152.8 14.5 65.5 54.4 138 239 A A - 0 0 1 -12,-2.3 -46,-0.2 -2,-0.3 -134,-0.1 -0.668 17.8-162.1 -81.2 134.7 11.1 64.2 53.6 139 240 A G S S+ 0 0 5 -48,-2.0 2,-0.3 -2,-0.3 -136,-0.2 0.476 72.7 24.2 -94.3 -4.8 10.1 64.5 49.9 140 241 A V E -e 92 0D 0 -49,-1.2 -47,-1.2 30,-0.1 2,-0.5 -0.993 70.0-125.5-154.1 159.2 6.4 64.1 50.5 141 242 A I E -ef 93 172D 0 30,-2.0 32,-2.7 -2,-0.3 2,-0.5 -0.928 24.4-150.1-108.5 132.3 3.7 64.5 53.1 142 243 A X E + f 0 173D 5 -49,-2.4 -47,-0.4 -2,-0.5 2,-0.3 -0.904 16.8 179.8-105.4 124.8 1.6 61.4 53.8 143 244 A L E - f 0 174D 0 30,-2.2 32,-1.5 -2,-0.5 2,-0.3 -0.870 2.6-173.8-118.8 155.4 -2.0 61.9 55.0 144 245 A A E - f 0 175D 4 -2,-0.3 2,-0.3 30,-0.2 -46,-0.2 -0.993 2.9-169.0-151.4 143.7 -4.5 59.2 55.8 145 246 A S - 0 0 0 30,-1.7 32,-0.3 -2,-0.3 5,-0.2 -0.870 24.4-105.2-131.8 166.4 -8.3 59.1 56.7 146 247 A S - 0 0 18 3,-0.9 31,-0.3 -2,-0.3 -1,-0.1 -0.227 34.3-108.7 -81.9 173.3 -10.8 56.6 58.0 147 248 A R S S+ 0 0 89 1,-0.2 3,-0.1 29,-0.1 -1,-0.1 0.928 111.2 37.3 -71.6 -48.4 -13.5 54.9 55.9 148 249 A D S S- 0 0 110 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.539 129.4 -13.5 -85.6 -7.5 -16.7 56.7 57.2 149 250 A A - 0 0 46 31,-0.1 2,-1.0 2,-0.0 -3,-0.9 -0.958 66.1 -99.3-178.3 162.9 -15.2 60.1 57.6 150 251 A I - 0 0 18 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.895 59.4-139.1 -94.2 102.5 -12.1 62.2 57.8 151 252 A T > - 0 0 21 -2,-1.0 4,-3.1 1,-0.1 5,-0.2 -0.090 17.0-105.9 -63.2 163.2 -12.1 62.3 61.6 152 253 A P H > S+ 0 0 102 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.878 123.6 51.6 -57.1 -40.0 -11.2 65.4 63.7 153 254 A Y H >> S+ 0 0 10 2,-0.2 4,-0.9 1,-0.2 3,-0.7 0.967 112.0 45.6 -60.5 -52.3 -7.9 63.8 64.6 154 255 A E H >> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.895 105.9 60.7 -58.1 -43.1 -7.1 63.2 60.9 155 256 A Q H 3X S+ 0 0 64 -4,-3.1 4,-2.6 1,-0.3 5,-0.3 0.823 93.1 65.3 -56.5 -32.6 -8.2 66.7 60.0 156 257 A L H S- 0 0 21 -2,-0.4 3,-0.9 3,-0.4 -2,-0.0 -0.804 75.6 -18.2 -94.3 123.1 -9.6 53.4 53.8 178 279 A E T 3 S- 0 0 92 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.829 120.7 -56.9 53.1 44.5 -11.7 50.8 52.1 179 280 A G T 3 S+ 0 0 3 -3,-0.3 2,-0.3 24,-0.3 -1,-0.2 0.731 108.4 111.0 65.7 26.4 -12.5 52.8 48.9 180 281 A Q < + 0 0 82 -3,-0.9 -3,-0.4 1,-0.1 -1,-0.2 -0.909 52.5 32.2-134.0 160.0 -14.1 55.8 50.5 181 282 A Q > + 0 0 24 -2,-0.3 4,-2.5 -5,-0.1 5,-0.2 0.466 68.1 126.1 79.5 7.3 -13.4 59.5 51.2 182 283 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.960 78.5 42.6 -58.0 -53.6 -11.5 60.2 48.0 183 284 A P H > S+ 0 0 5 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.944 114.3 52.0 -58.9 -46.1 -13.7 63.1 46.9 184 285 A Q H > S+ 0 0 86 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.885 109.9 48.9 -58.5 -40.8 -13.8 64.5 50.5 185 286 A Q H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.928 113.3 45.8 -64.1 -47.2 -10.0 64.4 50.7 186 287 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.951 116.4 46.5 -59.5 -51.7 -9.6 66.2 47.4 187 288 A E H X S+ 0 0 104 -4,-3.1 4,-2.9 -5,-0.2 5,-0.3 0.960 114.0 47.2 -55.2 -57.5 -12.3 68.8 48.3 188 289 A L H X S+ 0 0 37 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.934 114.9 45.3 -53.7 -51.0 -10.9 69.4 51.8 189 290 A L H <>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.2 3,-0.2 0.910 116.4 44.4 -62.2 -44.5 -7.3 69.8 50.6 190 291 A T H ><5S+ 0 0 36 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.861 110.2 55.0 -69.0 -35.0 -8.1 72.1 47.6 191 292 A S H 3<5S+ 0 0 74 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.753 104.2 56.7 -69.4 -21.9 -10.5 74.2 49.7 192 293 A L T 3<5S- 0 0 52 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.371 126.9-102.2 -88.6 4.4 -7.6 74.7 52.1 193 294 A G T < 5 + 0 0 45 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.596 68.6 152.6 90.3 9.6 -5.5 76.1 49.3 194 295 A A < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 5,-0.1 -0.516 54.6-103.5 -75.1 142.5 -3.3 73.1 48.6 195 296 A D > - 0 0 73 -2,-0.2 3,-2.4 1,-0.2 -1,-0.1 -0.524 22.8-153.5 -70.2 112.1 -2.0 72.8 45.0 196 297 A P G > S+ 0 0 45 0, 0.0 3,-1.2 0, 0.0 26,-0.4 0.781 93.4 63.8 -57.6 -26.0 -4.1 70.1 43.2 197 298 A A G 3 S+ 0 0 39 1,-0.2 -2,-0.1 24,-0.1 24,-0.1 0.526 105.1 46.4 -76.3 -3.8 -1.1 69.5 40.8 198 299 A R G < S+ 0 0 39 -3,-2.4 -26,-2.6 -28,-0.1 2,-0.5 0.090 94.7 95.7-122.8 21.5 0.9 68.3 43.9 199 300 A I E < -g 172 0D 0 -3,-1.2 23,-2.6 -28,-0.2 2,-0.6 -0.959 47.4-172.9-120.6 125.9 -1.8 66.0 45.4 200 301 A M E -gh 173 222D 0 -28,-3.0 -26,-1.6 -2,-0.5 2,-0.7 -0.943 14.4-151.0-118.2 110.9 -2.1 62.3 44.9 201 302 A I E - h 0 223D 0 21,-3.0 23,-2.5 -2,-0.6 3,-0.4 -0.709 28.1-147.7 -81.3 117.6 -5.3 60.7 46.3 202 303 A G + 0 0 0 -2,-0.7 -27,-0.1 21,-0.2 23,-0.1 -0.231 61.6 25.7 -89.7 173.1 -4.3 57.1 47.2 203 304 A H > + 0 0 1 1,-0.1 3,-1.5 -28,-0.1 -24,-0.3 0.781 68.1 143.9 49.8 33.5 -5.8 53.6 47.3 204 305 A M G > + 0 0 0 20,-2.0 3,-1.5 -3,-0.4 21,-0.2 0.718 59.8 71.8 -73.5 -17.0 -8.4 54.8 44.8 205 306 A D G 3 S+ 0 0 1 19,-0.7 -1,-0.3 1,-0.3 20,-0.1 0.651 78.5 82.9 -70.6 -8.6 -8.2 51.3 43.3 206 307 A G G < S+ 0 0 26 -3,-1.5 2,-0.4 30,-0.1 -1,-0.3 0.577 86.3 58.6 -72.0 -8.4 -10.1 50.4 46.4 207 308 A N < - 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