==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-09 3GTF . COMPND 2 MOLECULE: ORGANOPHOSPHORUS HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR R.HAWWA,S.LARSEN,K.RATIA,A.MESECAR . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.3 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 . 1 0.3 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 . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.9 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 1 127 A G 0 0 117 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.0 2.1 34.6 133.3 2 128 A D - 0 0 62 227,-0.0 3,-0.0 203,-0.0 0, 0.0 -0.748 360.0-172.9 -91.5 102.8 2.1 33.9 137.1 3 129 A A - 0 0 59 -2,-0.8 203,-0.2 1,-0.1 204,-0.1 -0.606 37.4 -89.8 -93.8 153.8 -1.4 33.0 138.3 4 130 A P - 0 0 43 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.391 45.8-153.3 -61.0 136.3 -2.4 32.5 142.0 5 131 A G + 0 0 56 -3,-0.0 2,-0.3 2,-0.0 201,-0.1 -0.963 46.5 11.4-120.6 123.1 -1.8 28.9 143.0 6 132 A G S S+ 0 0 70 -2,-0.5 170,-0.1 171,-0.0 169,-0.1 -0.805 100.4 11.1 123.2-163.2 -3.6 27.2 145.8 7 133 A A - 0 0 53 168,-0.5 2,-0.3 -2,-0.3 170,-0.1 -0.189 66.9-173.6 -52.1 144.4 -6.7 27.6 148.0 8 134 A H - 0 0 100 168,-0.1 2,-0.3 170,-0.0 170,-0.2 -0.998 17.6-165.1-148.9 141.7 -8.8 30.6 146.9 9 135 A M - 0 0 50 -2,-0.3 2,-0.1 168,-0.3 3,-0.1 -0.904 40.1 -96.2-120.9 152.6 -11.9 32.5 148.2 10 136 A T - 0 0 66 -2,-0.3 9,-0.1 1,-0.1 321,-0.1 -0.488 58.5 -86.9 -68.5 137.3 -14.0 34.9 146.2 11 137 A A E -A 18 0A 8 320,-0.6 7,-2.1 7,-0.5 2,-0.5 -0.145 45.3-145.3 -44.4 131.8 -12.9 38.6 146.7 12 138 A Q E +A 17 0A 26 5,-0.2 2,-0.3 318,-0.1 88,-0.3 -0.931 19.8 179.2-109.5 127.0 -14.6 40.0 149.8 13 139 A T E > -A 16 0A 3 3,-2.2 3,-2.8 -2,-0.5 133,-0.4 -0.721 50.7 -93.1-114.6 168.7 -15.6 43.7 149.9 14 140 A V T 3 S+ 0 0 2 84,-3.6 85,-0.1 1,-0.3 74,-0.1 0.671 130.8 46.5 -60.8 -12.9 -17.4 45.4 152.7 15 141 A T T 3 S- 0 0 69 1,-0.4 -1,-0.3 83,-0.3 2,-0.2 0.282 124.0 -92.6-111.8 15.3 -20.6 44.6 150.9 16 142 A G E < S-A 13 0A 23 -3,-2.8 -3,-2.2 130,-0.2 -1,-0.4 -0.621 70.2 -5.3 114.3-172.0 -19.8 41.0 150.1 17 143 A A E -A 12 0A 63 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.291 53.0-172.8 -63.0 140.6 -18.2 38.8 147.4 18 144 A V E -A 11 0A 8 -7,-2.1 -7,-0.5 313,-0.1 5,-0.1 -0.996 23.8-120.6-138.4 131.4 -17.1 40.3 144.1 19 145 A A > - 0 0 56 -2,-0.3 3,-1.9 -9,-0.1 4,-0.4 -0.371 27.9-114.6 -68.9 149.4 -15.9 38.4 141.0 20 146 A A G > S+ 0 0 36 311,-0.5 3,-0.8 1,-0.3 4,-0.5 0.790 118.1 55.9 -53.5 -32.6 -12.4 39.2 139.7 21 147 A A G 3 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.667 101.3 58.1 -76.6 -17.8 -14.0 40.6 136.6 22 148 A Q G < S+ 0 0 125 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.442 86.7 79.3 -91.0 -1.1 -16.2 43.0 138.6 23 149 A L < + 0 0 1 -3,-0.8 47,-0.3 -4,-0.4 74,-0.2 0.934 66.9 166.1 -73.4 -47.3 -13.2 44.7 140.3 24 150 A G + 0 0 21 -4,-0.5 45,-0.1 46,-0.1 -1,-0.1 -0.168 53.5 5.3 65.6-161.4 -12.2 47.0 137.4 25 151 A A E S-b 69 0B 22 43,-0.6 45,-2.0 301,-0.1 46,-1.9 -0.360 83.1-169.8 -56.3 131.7 -9.9 49.9 137.8 26 152 A T E -b 71 0B 8 296,-2.0 243,-0.2 44,-0.2 46,-0.2 -0.956 33.3-147.5-134.4 143.7 -8.6 49.7 141.3 27 153 A L E -b 72 0B 7 44,-2.0 46,-2.6 -2,-0.3 3,-0.2 -0.965 22.8-161.7-104.2 111.1 -6.7 51.9 143.8 28 154 A P E S+ 0 0 2 0, 0.0 2,-0.2 0, 0.0 242,-0.1 0.461 71.8 33.0 -77.6 -1.2 -4.9 49.1 145.8 29 155 A H E S+ 0 0 0 240,-0.2 243,-2.0 45,-0.1 242,-0.4 -0.604 74.5 124.7-160.9 94.9 -3.9 51.2 148.9 30 156 A E E -b 74 0B 0 43,-2.2 45,-1.8 242,-0.2 2,-0.4 -0.886 44.3-134.6-139.8 168.4 -6.0 54.1 150.2 31 157 A H E -d 274 0C 3 242,-2.3 244,-2.4 -2,-0.3 245,-0.3 -0.930 7.7-169.3-133.9 111.0 -7.6 55.0 153.6 32 158 A V E S+ 0 0 0 -2,-0.4 244,-0.9 1,-0.2 2,-0.3 0.968 87.7 1.5 -59.8 -53.3 -11.3 56.2 153.6 33 159 A I E S+d 276 0C 4 242,-0.2 2,-0.3 241,-0.1 -1,-0.2 -0.933 79.0 169.3-129.8 155.9 -10.8 57.2 157.3 34 160 A F E -d 277 0C 6 242,-1.1 244,-2.5 -2,-0.3 2,-0.4 -0.950 15.8-172.5-167.8 144.4 -7.6 56.9 159.3 35 161 A G - 0 0 0 45,-2.5 3,-0.1 -2,-0.3 244,-0.1 -0.994 30.8-118.6-141.0 131.1 -6.2 58.0 162.6 36 162 A Y > - 0 0 119 -2,-0.4 3,-2.5 242,-0.3 4,-0.2 -0.362 55.5 -73.8 -65.6 155.4 -2.6 57.4 163.8 37 163 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 -0.306 125.5 33.9 -50.7 120.2 -2.3 55.3 166.9 38 164 A G T > S+ 0 0 60 -3,-0.1 3,-1.7 -2,-0.1 4,-0.4 0.116 79.4 113.9 116.8 -18.6 -3.4 57.4 169.8 39 165 A Y G X S+ 0 0 70 -3,-2.5 3,-1.6 1,-0.3 7,-0.1 0.815 71.3 61.1 -54.5 -33.5 -6.1 59.4 168.0 40 166 A A G > S+ 0 0 61 1,-0.3 3,-1.0 -4,-0.2 -1,-0.3 0.756 94.0 62.8 -69.3 -20.4 -8.9 57.8 170.2 41 167 A G G < S+ 0 0 75 -3,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.623 98.2 58.3 -75.9 -10.2 -7.3 59.3 173.3 42 168 A D G <> S+ 0 0 50 -3,-1.6 4,-1.4 -4,-0.4 -1,-0.3 -0.138 70.5 125.2-106.5 32.4 -8.0 62.8 171.8 43 169 A V T <4 + 0 0 84 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.784 60.5 61.4 -64.3 -34.4 -11.7 62.0 171.6 44 170 A T T 4 S+ 0 0 125 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.960 120.6 21.6 -61.5 -52.0 -12.9 65.1 173.5 45 171 A L T 4 S+ 0 0 114 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.521 132.3 43.8 -95.0 -5.4 -11.5 67.7 171.1 46 172 A G S < S+ 0 0 7 -4,-1.4 233,-0.7 234,-0.1 -1,-0.2 -0.362 76.4 164.0-132.2 54.6 -11.3 65.4 168.0 47 173 A P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.259 46.1-101.6 -69.5 162.7 -14.6 63.4 168.0 48 174 A F - 0 0 78 230,-0.1 2,-1.0 -5,-0.0 3,-0.1 -0.752 27.6-151.6 -86.0 122.0 -15.7 61.6 164.9 49 175 A D > - 0 0 90 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 -0.824 10.9-170.0 -94.1 100.1 -18.4 63.6 163.1 50 176 A H H > S+ 0 0 79 -2,-1.0 4,-2.9 1,-0.2 5,-0.3 0.922 81.2 48.1 -56.7 -49.3 -20.3 60.8 161.4 51 177 A A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 114.9 44.3 -60.3 -47.3 -22.5 63.0 159.2 52 178 A A H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 115.3 49.3 -65.4 -42.5 -19.6 65.1 158.0 53 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.954 112.2 47.2 -60.0 -52.0 -17.4 62.0 157.4 54 180 A L H X S+ 0 0 41 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.913 113.3 47.9 -57.9 -44.3 -20.1 60.2 155.4 55 181 A A H X S+ 0 0 48 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.940 116.2 44.1 -65.2 -42.0 -20.9 63.1 153.2 56 182 A S H X S+ 0 0 42 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.792 115.3 45.9 -72.1 -32.3 -17.3 63.8 152.5 57 183 A C H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.883 110.9 53.0 -80.2 -36.7 -16.3 60.2 151.9 58 184 A T H X S+ 0 0 16 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.831 109.1 50.9 -66.8 -30.4 -19.3 59.5 149.6 59 185 A E H X S+ 0 0 130 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.884 111.4 45.8 -72.0 -42.4 -18.4 62.6 147.6 60 186 A T H X S+ 0 0 34 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.930 111.4 53.9 -68.0 -38.9 -14.8 61.4 147.2 61 187 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.959 110.1 47.5 -57.8 -46.6 -16.3 57.9 146.3 62 188 A R H X S+ 0 0 125 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.892 107.3 54.6 -61.2 -41.1 -18.4 59.6 143.6 63 189 A A H X S+ 0 0 25 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.912 109.1 50.2 -59.5 -40.3 -15.5 61.5 142.2 64 190 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 3,-1.3 0.938 109.2 48.8 -61.2 -50.7 -13.6 58.2 141.9 65 191 A L H ><5S+ 0 0 46 -4,-2.3 3,-2.4 1,-0.3 -1,-0.2 0.884 104.0 62.5 -56.6 -40.8 -16.5 56.4 140.1 66 192 A A H 3<5S+ 0 0 82 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.819 103.9 49.5 -55.8 -30.4 -16.7 59.5 137.8 67 193 A R T <<5S- 0 0 93 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.331 125.2 -99.4 -96.5 14.9 -13.2 58.6 136.7 68 194 A G T < 5S+ 0 0 37 -3,-2.4 -43,-0.6 1,-0.3 2,-0.4 0.383 77.2 137.7 89.6 -5.8 -13.8 55.0 136.0 69 195 A I E < +b 25 0B 9 -5,-1.7 -1,-0.3 1,-0.2 -43,-0.2 -0.630 22.4 174.1 -78.3 125.1 -12.4 53.6 139.3 70 196 A Q E + 0 0 81 -45,-2.0 27,-2.7 -2,-0.4 2,-0.4 0.653 57.8 40.7-103.3 -20.9 -14.7 50.8 140.6 71 197 A T E -bc 26 97B 0 -46,-1.9 -44,-2.0 25,-0.2 2,-0.4 -0.973 51.9-169.9-139.7 146.5 -12.8 49.5 143.5 72 198 A V E -bc 27 98B 0 25,-2.9 27,-2.5 -2,-0.4 2,-0.7 -0.991 16.0-145.7-131.3 139.1 -10.7 50.7 146.4 73 199 A V E - c 0 99B 0 -46,-2.6 -43,-2.2 -2,-0.4 2,-0.7 -0.933 16.0-152.2-104.2 113.9 -8.5 48.6 148.7 74 200 A D E -b 30 0B 1 25,-3.9 27,-0.4 -2,-0.7 -43,-0.2 -0.796 11.5-173.8 -88.4 115.3 -8.6 50.2 152.2 75 201 A A + 0 0 0 -45,-1.8 -44,-0.1 -2,-0.7 -1,-0.1 0.175 29.1 143.4 -96.6 17.0 -5.3 49.3 153.9 76 202 A T - 0 0 1 -46,-0.4 25,-0.4 -43,-0.1 5,-0.1 -0.403 50.2-123.6 -63.1 122.2 -6.1 50.7 157.4 77 203 A P > > - 0 0 1 0, 0.0 3,-2.6 0, 0.0 5,-1.0 -0.316 27.1-103.7 -64.2 152.9 -4.7 48.6 160.3 78 204 A N T 3 5S+ 0 0 28 25,-2.7 3,-0.4 1,-0.3 26,-0.1 0.770 121.9 40.4 -46.6 -41.8 -7.2 47.3 162.9 79 205 A G T 3 5S+ 0 0 44 24,-0.4 -1,-0.3 1,-0.2 25,-0.1 0.274 98.6 76.1 -96.0 10.9 -6.0 49.9 165.4 80 206 A C T < 5S- 0 0 2 -3,-2.6 -45,-2.5 -43,-0.1 -1,-0.2 0.063 126.9 -71.5-106.8 24.1 -5.7 52.8 163.0 81 207 A G T 5 + 0 0 6 -3,-0.4 -3,-0.1 1,-0.2 -2,-0.1 0.515 68.9 174.3 103.6 7.4 -9.4 53.5 162.8 82 208 A R < + 0 0 38 -5,-1.0 -1,-0.2 -47,-0.1 -48,-0.1 -0.237 1.0 172.4 -50.5 128.8 -10.6 50.5 160.7 83 209 A N > - 0 0 60 1,-0.1 4,-2.4 -50,-0.1 5,-0.2 -0.719 13.5-179.0-144.0 85.1 -14.4 50.7 160.6 84 210 A P H > S+ 0 0 10 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.883 83.2 54.5 -54.7 -41.7 -16.0 48.1 158.2 85 211 A A H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.928 109.6 47.3 -60.5 -45.8 -19.6 49.2 158.9 86 212 A F H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.955 111.4 50.6 -59.8 -49.4 -18.7 52.9 158.0 87 213 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.918 108.6 54.3 -52.4 -41.7 -16.9 51.7 154.8 88 214 A R H X S+ 0 0 87 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.906 105.7 52.4 -61.5 -39.7 -20.1 49.6 154.1 89 215 A E H X S+ 0 0 66 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.941 110.3 47.1 -60.3 -48.4 -22.2 52.8 154.3 90 216 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 6,-0.3 0.945 116.1 45.8 -58.4 -48.4 -19.9 54.7 151.9 91 217 A S H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.874 112.0 48.5 -63.4 -43.5 -20.1 51.7 149.5 92 218 A E H < S+ 0 0 139 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 113.6 51.0 -68.9 -25.6 -23.8 51.1 149.7 93 219 A A H < S+ 0 0 50 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.754 125.8 19.8 -81.1 -26.2 -24.3 54.9 149.1 94 220 A T H < S- 0 0 24 -4,-1.4 -3,-0.2 2,-0.2 -2,-0.2 0.699 92.4-119.4-115.6 -27.5 -22.1 55.1 146.0 95 221 A G < + 0 0 49 -4,-2.5 2,-0.4 1,-0.4 -4,-0.1 0.519 65.1 142.9 92.8 5.2 -21.7 51.7 144.4 96 222 A L - 0 0 0 -6,-0.3 2,-0.4 -5,-0.2 -1,-0.4 -0.688 50.5-129.8 -79.7 135.3 -17.9 52.1 145.0 97 223 A Q E -c 71 0B 42 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.4 -0.755 27.4-172.0 -90.0 131.2 -16.5 48.7 145.9 98 224 A I E -c 72 0B 0 -2,-0.4 -84,-3.6 -27,-0.2 2,-0.4 -0.984 13.4-166.8-130.5 126.9 -14.3 48.7 149.0 99 225 A L E -c 73 0B 1 -27,-2.5 -25,-3.9 -2,-0.4 2,-0.2 -0.870 14.9-159.4-104.0 140.5 -12.1 46.0 150.4 100 226 A C - 0 0 0 -2,-0.4 48,-2.5 46,-0.4 49,-1.2 -0.727 10.0-124.3-114.9 170.6 -10.8 46.4 153.9 101 227 A A E -e 149 0D 0 -25,-0.4 2,-0.4 -27,-0.4 49,-0.2 -0.522 4.4-144.3-111.2 175.2 -7.8 44.8 155.7 102 228 A T E +e 150 0D 0 47,-0.7 49,-2.8 -2,-0.2 2,-0.2 -0.988 56.6 84.2-137.0 128.2 -6.9 42.8 158.8 103 229 A G - 0 0 0 -2,-0.4 -25,-2.7 47,-0.2 -24,-0.4 -0.813 62.7-104.3 156.5 168.9 -3.5 43.6 160.4 104 230 A F - 0 0 34 47,-0.4 49,-0.1 -2,-0.2 3,-0.1 -0.819 38.4-103.2-119.2 160.7 -1.5 45.8 162.7 105 231 A Y - 0 0 20 -2,-0.3 48,-0.2 1,-0.2 5,-0.2 -0.131 48.3 -73.2 -78.2 176.9 1.0 48.6 161.9 106 232 A Y >> - 0 0 38 48,-0.2 4,-0.9 46,-0.1 3,-0.7 -0.279 49.3-105.2 -68.4 153.7 4.8 48.6 162.0 107 233 A E G >4 S+ 0 0 51 1,-0.2 3,-0.6 46,-0.2 5,-0.3 0.894 118.1 51.8 -46.8 -46.6 6.5 48.6 165.4 108 234 A G G 34 S+ 0 0 59 1,-0.2 -1,-0.2 3,-0.1 4,-0.0 0.839 120.5 26.9 -63.1 -37.1 7.4 52.2 165.0 109 235 A G G <4 S+ 0 0 18 -3,-0.7 2,-0.2 2,-0.0 -1,-0.2 0.155 109.8 69.9-117.2 23.6 4.0 53.7 164.0 110 236 A G S << S- 0 0 19 -4,-0.9 2,-1.1 -3,-0.6 3,-0.1 -0.683 90.9 -92.1-127.2-179.8 1.4 51.4 165.6 111 237 A A + 0 0 67 -2,-0.2 4,-0.3 1,-0.2 3,-0.2 -0.811 53.5 161.3 -97.7 95.3 0.2 50.5 169.1 112 238 A T > + 0 0 13 -2,-1.1 4,-1.9 -5,-0.3 5,-0.2 0.415 48.0 86.9 -96.8 -3.7 2.5 47.5 169.7 113 239 A T H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.925 83.6 58.1 -65.1 -43.8 2.3 47.3 173.5 114 240 A Y H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.938 116.3 31.2 -51.8 -58.0 -0.8 45.1 173.4 115 241 A F H > S+ 0 0 10 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.740 112.3 62.2 -77.8 -22.2 0.8 42.3 171.3 116 242 A K H X S+ 0 0 90 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.891 109.7 45.0 -66.3 -32.6 4.3 42.7 172.6 117 243 A F H X S+ 0 0 126 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.921 110.9 50.4 -73.5 -46.2 2.8 41.8 176.0 118 244 A R H X S+ 0 0 83 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.766 110.7 52.5 -62.7 -26.1 0.8 38.9 174.8 119 245 A A H < S+ 0 0 33 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.825 106.8 50.2 -78.8 -37.4 3.9 37.6 173.1 120 246 A S H < S+ 0 0 88 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.812 119.9 38.2 -71.6 -29.0 6.0 37.8 176.2 121 247 A L H < S- 0 0 122 -4,-1.8 -2,-0.2 -5,-0.1 2,-0.2 0.773 130.0 -23.9 -91.3 -31.1 3.3 35.9 178.1 122 248 A G S < S- 0 0 41 -4,-1.9 2,-1.3 -5,-0.2 3,-0.2 -0.629 93.3 -36.3-151.2-150.3 2.2 33.4 175.4 123 249 A D > + 0 0 94 1,-0.2 4,-1.4 -2,-0.2 3,-0.3 -0.634 49.9 168.5 -90.5 74.2 2.0 32.4 171.8 124 250 A A H > S+ 0 0 2 -2,-1.3 4,-2.9 1,-0.2 3,-0.3 0.908 71.4 62.0 -58.4 -40.0 1.2 35.8 170.2 125 251 A E H > S+ 0 0 41 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.927 106.0 43.6 -54.4 -46.1 1.8 34.4 166.7 126 252 A S H > S+ 0 0 22 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.806 113.5 53.6 -70.7 -23.2 -1.1 31.9 166.9 127 253 A E H X S+ 0 0 51 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.905 110.4 45.2 -73.7 -41.9 -3.3 34.6 168.5 128 254 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.919 112.2 53.8 -64.1 -43.4 -2.6 37.0 165.6 129 255 A Y H X S+ 0 0 37 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.890 107.3 49.5 -58.0 -44.2 -3.2 34.0 163.2 130 256 A E H X S+ 0 0 108 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.890 111.4 50.6 -63.6 -39.4 -6.6 33.3 164.8 131 257 A M H X S+ 0 0 36 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.959 114.0 42.7 -62.9 -52.4 -7.6 37.0 164.5 132 258 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.923 114.7 50.2 -60.9 -44.8 -6.6 37.2 160.8 133 259 A R H X S+ 0 0 78 -4,-2.7 4,-2.4 -5,-0.2 5,-0.4 0.901 112.5 46.9 -63.1 -40.0 -8.2 33.9 159.9 134 260 A T H X>S+ 0 0 51 -4,-2.2 5,-3.1 -5,-0.2 4,-2.8 0.932 113.9 48.3 -66.1 -45.0 -11.5 34.8 161.6 135 261 A E H <5S+ 0 0 20 -4,-2.4 12,-1.9 3,-0.2 -2,-0.2 0.860 116.9 40.9 -67.0 -34.8 -11.6 38.2 160.0 136 262 A V H <5S+ 0 0 0 -4,-2.5 -1,-0.2 10,-0.2 -2,-0.2 0.851 128.9 28.5 -81.3 -35.7 -10.8 36.9 156.5 137 263 A T H <5S+ 0 0 35 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.827 137.3 14.1 -96.6 -32.7 -13.1 33.8 156.7 138 264 A E T <5S- 0 0 112 -4,-2.8 2,-0.2 -5,-0.4 -3,-0.2 0.794 107.2 -89.5-111.0 -51.1 -15.9 34.8 159.1 139 265 A G < - 0 0 9 -5,-3.1 2,-0.5 -6,-0.1 7,-0.2 -0.801 31.6 -79.4 152.2 167.6 -15.9 38.5 159.8 140 266 A I S > S- 0 0 3 5,-2.5 3,-2.4 -2,-0.2 5,-0.4 -0.845 96.7 -19.7-103.5 127.7 -14.7 41.5 161.8 141 267 A A T 3 S- 0 0 93 -2,-0.5 -1,-0.2 1,-0.3 -6,-0.0 0.833 117.0 -63.7 53.0 35.1 -16.2 42.4 165.2 142 268 A G T 3 S+ 0 0 81 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.0 0.450 109.4 118.2 71.9 -3.9 -19.4 40.4 164.7 143 269 A T S < S- 0 0 47 -3,-2.4 -2,-0.1 2,-0.2 3,-0.1 0.659 77.7-127.8 -70.0 -16.4 -20.4 42.6 161.7 144 270 A G S S+ 0 0 55 1,-0.3 2,-0.5 -4,-0.2 -1,-0.1 0.416 71.4 126.0 82.6 -4.9 -20.4 39.7 159.3 145 271 A I - 0 0 5 -5,-0.4 -5,-2.5 -130,-0.0 -1,-0.3 -0.777 49.8-148.4 -89.8 128.6 -18.1 41.9 157.1 146 272 A R - 0 0 56 -2,-0.5 -46,-0.4 -133,-0.4 2,-0.3 -0.682 14.8-112.0-103.3 153.5 -14.9 40.2 156.1 147 273 A A - 0 0 2 -12,-1.9 -46,-0.2 -2,-0.3 -134,-0.1 -0.610 18.6-158.8 -77.0 137.4 -11.4 41.6 155.4 148 274 A G S S+ 0 0 8 -48,-2.5 2,-0.3 -2,-0.3 -47,-0.2 0.484 73.1 21.2 -95.8 -8.0 -10.4 41.2 151.7 149 275 A V E S-e 101 0D 0 -49,-1.2 -47,-0.7 30,-0.1 2,-0.5 -0.957 71.5-122.5-152.0 165.7 -6.7 41.5 152.4 150 276 A I E -ef 102 181D 0 30,-2.0 32,-2.6 -2,-0.3 2,-0.5 -0.962 26.4-149.0-113.4 129.7 -4.1 41.1 155.1 151 277 A X E - f 0 182D 1 -49,-2.8 -47,-0.4 -2,-0.5 2,-0.3 -0.891 17.0-179.2-105.4 129.2 -2.0 44.2 155.8 152 278 A L E - f 0 183D 1 30,-2.0 32,-1.4 -2,-0.5 2,-0.3 -0.879 2.5-172.5-122.5 152.2 1.6 43.7 157.0 153 279 A A E - f 0 184D 6 -2,-0.3 2,-0.3 30,-0.2 -46,-0.2 -0.994 3.2-170.1-148.5 142.3 4.1 46.4 157.9 154 280 A S - 0 0 0 30,-1.3 32,-0.2 -2,-0.3 -48,-0.2 -0.881 24.1-109.6-130.5 165.8 7.8 46.4 158.9 155 281 A S - 0 0 21 3,-0.9 31,-0.4 -2,-0.3 -1,-0.1 -0.172 33.3-104.2 -84.6 179.9 10.2 49.0 160.2 156 282 A R S S+ 0 0 85 1,-0.2 3,-0.1 29,-0.1 -1,-0.1 0.936 111.6 38.6 -73.7 -51.6 13.1 50.7 158.3 157 283 A D S S- 0 0 115 1,-0.2 2,-0.3 32,-0.1 -1,-0.2 0.630 129.7 -19.3 -78.7 -15.7 16.2 49.0 159.7 158 284 A A - 0 0 45 31,-0.1 2,-1.0 2,-0.0 -3,-0.9 -0.946 67.2 -93.8-178.7 160.0 14.7 45.5 159.9 159 285 A I - 0 0 14 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.0 -0.837 61.5-137.3 -82.6 109.0 11.6 43.5 160.0 160 286 A T > - 0 0 24 -2,-1.0 4,-2.4 1,-0.1 5,-0.2 -0.141 15.3-108.4 -68.8 165.2 11.5 43.3 163.8 161 287 A P H > S+ 0 0 105 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.900 122.9 52.3 -62.0 -37.9 10.7 40.3 165.9 162 288 A Y H >> S+ 0 0 12 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.943 110.8 48.3 -60.6 -45.9 7.4 41.8 166.9 163 289 A E H >> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.884 103.2 60.9 -64.3 -36.4 6.7 42.4 163.2 164 290 A Q H 3X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.729 91.8 66.3 -65.1 -23.5 7.6 38.8 162.2 165 291 A L H S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.5 0.931 113.5 53.8 -62.2 -40.2 -3.7 32.4 156.7 174 300 A Q H X5S+ 0 0 5 -4,-3.8 4,-2.5 1,-0.2 -2,-0.2 0.914 109.7 46.1 -61.5 -44.3 -2.5 33.1 153.1 175 301 A R H <5S+ 0 0 136 -4,-2.6 -168,-0.5 1,-0.2 -1,-0.2 0.874 117.8 45.7 -66.4 -32.5 -1.6 29.4 152.5 176 302 A E H <5S+ 0 0 89 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.869 132.4 13.4 -77.5 -38.3 -4.9 28.3 154.0 177 303 A T H <5S- 0 0 14 -4,-3.1 -168,-0.3 -5,-0.2 -3,-0.2 0.555 87.9-127.2-117.7 -12.6 -7.2 30.7 152.3 178 304 A G << + 0 0 5 -4,-2.5 -4,-0.2 -5,-0.5 -3,-0.1 0.553 50.4 163.1 74.7 7.6 -5.2 32.2 149.4 179 305 A V - 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