==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-13 4J6O . COMPND 2 MOLECULE: METALLOPHOSPHOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR L.WANG,P.SMITH,S.SHUMAN . 519 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 0 1 3 3 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 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 3 1 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 4 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 1 169 A S 0 0 158 0, 0.0 2,-0.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 4.3 46.8 47.4 26.3 2 170 A M + 0 0 165 3,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.275 360.0 156.4-107.4 47.5 47.3 46.7 29.9 3 171 A L > - 0 0 74 -2,-0.5 3,-0.9 161,-0.2 162,-0.0 -0.214 51.7-121.6 -80.2 165.8 46.1 43.1 30.6 4 172 A W T 3 S+ 0 0 196 1,-0.2 -1,-0.1 162,-0.1 137,-0.1 0.761 107.9 67.6 -74.2 -21.8 47.1 40.9 33.4 5 173 A N T 3 S+ 0 0 8 159,-0.1 140,-3.0 139,-0.1 2,-0.9 0.692 74.5 99.9 -77.7 -10.9 48.2 38.4 30.9 6 174 A N E < +a 145 0A 67 -3,-0.9 140,-0.1 138,-0.2 3,-0.1 -0.581 27.7 144.0 -81.4 107.7 51.1 40.5 29.6 7 175 A K E > +a 146 0A 70 138,-2.8 3,-2.2 -2,-0.9 140,-1.0 -0.176 19.4 136.8-128.7 36.6 54.4 39.4 31.2 8 176 A K T 3 + 0 0 89 138,-0.3 140,-2.2 1,-0.3 142,-0.1 0.717 66.0 63.9 -60.0 -20.2 56.6 40.0 28.2 9 177 A D T 3 S+ 0 0 140 138,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.480 83.1 91.6 -82.5 -0.9 59.3 41.6 30.4 10 178 A E < + 0 0 62 -3,-2.2 137,-2.0 1,-0.1 -3,-0.1 -0.842 47.4 170.0 -96.8 113.3 59.7 38.2 32.1 11 179 A H + 0 0 74 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.612 24.5 172.3-105.2 -10.3 62.5 36.3 30.3 12 180 A G - 0 0 31 1,-0.3 -1,-0.3 45,-0.1 2,-0.2 -0.491 55.3-128.7 82.9-154.6 63.1 33.4 32.7 13 181 A P - 0 0 42 0, 0.0 46,-1.8 0, 0.0 2,-0.3 0.354 55.0-171.6 -58.5 156.4 64.6 30.9 32.7 14 182 A F E -fG 59 238B 1 224,-2.5 224,-3.0 -2,-0.2 2,-0.5 -0.928 27.6-151.3-128.4 149.2 61.4 29.0 33.7 15 183 A D E -fG 60 237B 0 44,-2.2 46,-2.5 -2,-0.3 2,-0.5 -0.994 22.3-156.3-118.0 116.6 60.6 25.5 34.7 16 184 A I E -fG 61 236B 0 220,-2.8 220,-2.4 -2,-0.5 2,-0.4 -0.850 8.1-162.0-104.1 123.6 57.1 24.8 33.6 17 185 A I E -fG 62 235B 0 44,-2.6 46,-2.4 -2,-0.5 47,-0.2 -0.911 5.6-141.6-119.6 135.1 55.3 22.1 35.6 18 186 A G - 0 0 2 216,-2.0 46,-0.2 -2,-0.4 206,-0.1 0.125 54.9 -31.2 -81.9-167.3 52.1 20.2 34.6 19 187 A D - 0 0 5 1,-0.1 208,-0.4 44,-0.1 209,-0.3 -0.260 49.1-179.1 -59.4 127.8 49.1 19.0 36.6 20 188 A I > - 0 0 0 45,-0.6 3,-1.9 44,-0.6 46,-0.2 0.851 5.3-172.9 -94.5 -39.1 50.0 18.2 40.1 21 189 A H T 3 S- 0 0 4 44,-2.8 49,-0.7 1,-0.3 46,-0.2 0.888 77.7 -46.5 43.0 52.8 46.6 17.0 41.5 22 190 A G T 3 S+ 0 0 0 44,-2.0 50,-2.2 51,-0.2 2,-1.8 0.550 96.3 138.9 78.5 5.8 47.8 16.8 45.1 23 191 A C <> + 0 0 0 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 -0.475 14.5 158.1 -86.2 67.5 51.0 14.9 44.3 24 192 A Y H > + 0 0 15 -2,-1.8 4,-3.0 1,-0.2 5,-0.2 0.867 67.2 56.4 -55.9 -42.7 53.2 16.8 46.8 25 193 A D H > S+ 0 0 52 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 112.2 42.5 -62.0 -40.9 55.9 14.0 47.1 26 194 A E H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.848 112.5 54.0 -74.1 -38.1 56.5 14.0 43.4 27 195 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.926 109.9 47.3 -58.0 -46.3 56.4 17.8 43.2 28 196 A K H X S+ 0 0 70 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.932 113.2 49.1 -63.0 -45.5 59.1 18.1 45.9 29 197 A M H X S+ 0 0 79 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.912 112.6 47.8 -57.1 -43.8 61.2 15.5 44.1 30 198 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.915 111.8 48.2 -69.1 -45.6 60.8 17.3 40.8 31 199 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 -1,-0.2 0.938 113.2 48.6 -58.6 -43.3 61.7 20.7 42.2 32 200 A E H ><5S+ 0 0 84 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.916 108.7 53.1 -65.7 -38.8 64.7 19.3 43.9 33 201 A K H 3<5S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.1 54.8 -64.5 -30.3 65.8 17.6 40.8 34 202 A L T 3<5S- 0 0 10 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.383 126.6-101.3 -81.4 1.7 65.6 20.9 39.0 35 203 A G T < 5S+ 0 0 31 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.448 74.2 141.9 92.6 1.6 67.9 22.5 41.6 36 204 A Y < - 0 0 4 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.454 43.6-139.4 -72.7 152.8 65.3 24.3 43.8 37 205 A L E -K 53 0C 96 16,-2.6 16,-2.0 -2,-0.1 2,-0.6 -0.965 13.3-159.3-117.3 122.7 65.9 24.3 47.5 38 206 A I E -K 52 0C 29 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.922 4.2-165.1-111.9 120.9 62.9 23.7 49.7 39 207 A E E -K 51 0C 112 12,-2.7 12,-2.1 -2,-0.6 2,-0.9 -0.897 17.1-142.8-105.0 127.1 63.1 24.9 53.3 40 208 A E E -K 50 0C 140 -2,-0.5 10,-0.2 10,-0.2 2,-0.2 -0.872 35.3-131.2 -82.7 112.0 60.5 23.7 55.7 41 209 A V > - 0 0 46 8,-2.1 3,-1.6 -2,-0.9 2,-0.3 -0.476 13.8-111.0 -71.7 131.5 60.2 26.9 57.7 42 210 A E T 3 S- 0 0 186 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.452 102.2 -4.1 -58.8 118.7 60.4 26.9 61.5 43 211 A G T 3 S+ 0 0 75 -2,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.440 99.0 156.3 77.9 -0.7 57.0 27.7 62.9 44 212 A G < - 0 0 21 -3,-1.6 2,-0.3 5,-0.2 -1,-0.2 -0.310 21.1-168.8 -68.9 139.9 55.8 28.3 59.4 45 213 A V > - 0 0 118 -3,-0.1 3,-2.3 5,-0.1 2,-0.1 -0.969 45.2 -26.8-134.8 143.6 52.1 28.0 58.7 46 214 A G G > S+ 0 0 8 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 -0.379 135.6 0.7 60.1-123.2 49.9 27.9 55.6 47 215 A S G 3 S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.480 135.8 58.4 -75.0 -1.7 51.6 29.7 52.7 48 216 A G G < S+ 0 0 35 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.265 77.8 94.7-104.5 9.8 54.6 30.4 55.0 49 217 A K S < S+ 0 0 43 -3,-1.5 -8,-2.1 -5,-0.2 2,-0.3 0.853 91.1 29.5 -70.4 -33.2 55.1 26.7 55.7 50 218 A Y E -K 40 0C 17 28,-0.3 2,-0.4 -4,-0.3 -10,-0.2 -0.860 60.1-160.0-126.3 156.7 57.8 26.4 52.9 51 219 A R E -K 39 0C 133 -12,-2.1 -12,-2.7 -2,-0.3 2,-0.4 -0.967 13.3-165.0-137.0 126.7 60.4 28.6 51.2 52 220 A V E +K 38 0C 3 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.911 12.0 169.3-114.4 134.4 61.7 27.7 47.8 53 221 A T E -K 37 0C 56 -16,-2.0 -16,-2.6 -2,-0.4 -2,-0.0 -0.881 20.2-152.4-135.4 166.4 64.9 29.2 46.2 54 222 A H > - 0 0 22 -2,-0.3 3,-1.9 -18,-0.2 -18,-0.1 -0.955 12.4-147.6-141.3 126.4 67.1 28.6 43.2 55 223 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.746 102.1 50.6 -67.0 -24.0 70.8 29.5 43.0 56 224 A E T 3 S- 0 0 130 -21,-0.1 -21,-0.0 2,-0.0 0, 0.0 0.308 115.6-115.0 -92.8 7.3 70.6 30.2 39.3 57 225 A G < + 0 0 51 -3,-1.9 2,-0.1 1,-0.2 -45,-0.1 0.756 57.4 162.4 67.8 24.7 67.6 32.4 39.7 58 226 A R - 0 0 7 -44,-0.1 2,-0.3 -23,-0.1 -44,-0.2 -0.395 24.8-146.7 -72.2 156.1 65.2 30.2 37.8 59 227 A K E -f 14 0B 75 -46,-1.8 -44,-2.2 -2,-0.1 2,-0.4 -0.922 6.2-129.3-126.8 150.7 61.4 30.6 38.2 60 228 A V E -fh 15 89B 0 28,-2.7 30,-2.3 -2,-0.3 2,-0.5 -0.828 10.6-161.8-101.8 140.7 58.6 28.1 38.1 61 229 A L E -fh 16 90B 3 -46,-2.5 -44,-2.6 -2,-0.4 2,-0.4 -0.972 12.4-154.9-119.3 114.7 55.4 28.4 36.0 62 230 A F E -fh 17 91B 1 28,-3.0 30,-2.1 -2,-0.5 -44,-0.2 -0.784 9.4-153.0 -92.3 138.3 52.6 26.1 37.3 63 231 A L - 0 0 0 -46,-2.4 144,-0.2 -2,-0.4 -44,-0.1 0.371 44.2-123.9 -92.2 5.2 50.0 25.1 34.7 64 232 A G S S+ 0 0 1 -47,-0.2 -44,-0.6 -46,-0.2 -1,-0.3 -0.368 75.4 118.0 86.5-164.6 47.4 24.6 37.4 65 233 A D + 0 0 4 -46,-0.2 -44,-2.8 -2,-0.1 -45,-0.6 0.963 38.2 154.0 55.8 53.5 45.2 21.7 38.4 66 234 A L + 0 0 2 -46,-0.2 -44,-2.0 -45,-0.2 2,-0.1 0.769 52.3 59.7 -73.6 -29.1 46.9 21.8 41.8 67 235 A V S S+ 0 0 0 -46,-0.2 -46,-0.2 -45,-0.1 29,-0.1 -0.426 74.0 48.2-108.5 170.5 43.9 20.2 43.6 68 236 A D S S+ 0 0 2 46,-0.2 2,-2.2 47,-0.1 47,-0.2 0.398 89.7 26.5 82.5 145.0 41.8 17.0 43.5 69 237 A R S S+ 0 0 30 45,-1.3 -47,-0.1 1,-0.1 -1,-0.1 -0.305 91.6 93.5 81.9 -55.0 42.6 13.3 43.4 70 238 A G S > S- 0 0 0 -2,-2.2 3,-0.5 -49,-0.7 -48,-0.2 -0.088 77.1-114.0 -81.5 178.0 45.9 13.1 45.0 71 239 A P T 3 S+ 0 0 59 0, 0.0 -48,-0.1 0, 0.0 -49,-0.1 0.597 103.4 38.9 -87.3 -13.3 47.0 12.4 48.6 72 240 A K T 3> + 0 0 81 -50,-2.2 4,-2.2 -51,-0.1 5,-0.2 -0.348 62.6 144.6-138.9 45.2 48.6 15.8 49.7 73 241 A I H <> S+ 0 0 0 -3,-0.5 4,-2.3 1,-0.2 -51,-0.2 0.883 73.8 49.7 -56.5 -43.7 46.5 18.5 48.2 74 242 A T H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 110.2 51.4 -70.5 -30.2 46.9 21.1 51.1 75 243 A E H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.912 109.4 50.4 -68.7 -42.5 50.7 20.6 51.1 76 244 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.929 111.9 48.8 -56.1 -46.2 50.7 21.3 47.4 77 245 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.941 111.2 48.2 -62.2 -44.9 48.6 24.4 47.9 78 246 A K H X S+ 0 0 14 -4,-2.6 4,-1.8 1,-0.2 -28,-0.3 0.910 114.4 46.8 -61.9 -42.7 50.8 25.7 50.7 79 247 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.959 115.8 43.4 -64.3 -52.2 54.0 25.1 48.7 80 248 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.922 112.5 52.0 -64.9 -41.5 52.6 26.7 45.5 81 249 A M H X S+ 0 0 7 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.906 109.7 50.1 -60.6 -41.1 51.0 29.7 47.3 82 250 A G H X S+ 0 0 12 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.824 109.7 51.7 -62.0 -35.2 54.3 30.5 49.1 83 251 A M H X>S+ 0 0 1 -4,-1.5 5,-1.8 2,-0.2 6,-1.7 0.882 109.9 47.3 -70.7 -40.1 56.2 30.3 45.8 84 252 A V H ><5S+ 0 0 45 -4,-2.3 3,-0.7 4,-0.2 -2,-0.2 0.920 114.6 49.1 -67.9 -39.1 53.9 32.7 44.1 85 253 A K H 3<5S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.858 110.1 47.9 -70.7 -33.5 54.2 35.0 47.1 86 254 A S H 3<5S- 0 0 52 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.548 115.8-116.6 -82.1 -7.0 58.0 34.9 47.4 87 255 A G T <<5S+ 0 0 38 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.600 87.0 110.9 80.6 19.4 58.1 35.7 43.6 88 256 A I S - 0 0 0 -2,-0.3 4,-2.0 61,-0.1 3,-0.3 -0.652 35.0-105.1 -97.8 167.8 43.2 24.7 35.8 95 263 A N H > S+ 0 0 48 80,-0.6 4,-2.2 1,-0.2 5,-0.2 0.846 120.6 53.6 -58.5 -38.7 39.6 23.7 35.6 96 264 A H H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 106.9 51.6 -67.3 -36.7 39.7 21.8 38.9 97 265 A D H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.930 112.1 44.8 -64.0 -48.7 41.1 24.9 40.7 98 266 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.862 112.0 52.6 -65.3 -38.5 38.4 27.2 39.5 99 267 A K H X S+ 0 0 49 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.906 108.4 51.4 -65.5 -37.4 35.7 24.7 40.2 100 268 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.918 107.7 52.9 -63.1 -42.6 37.1 24.3 43.8 101 269 A L H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.919 108.2 50.3 -57.9 -42.5 36.9 28.1 44.1 102 270 A R H <>S+ 0 0 74 -4,-2.3 5,-2.7 2,-0.2 4,-0.3 0.894 111.8 48.7 -63.1 -38.1 33.2 28.1 43.1 103 271 A K H ><5S+ 0 0 61 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.949 111.6 47.3 -69.5 -46.3 32.5 25.4 45.6 104 272 A L H 3<5S+ 0 0 36 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.7 58.8 -63.4 -28.8 34.3 27.2 48.5 105 273 A N T 3<5S- 0 0 98 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.545 131.2 -92.2 -75.3 -9.3 32.4 30.4 47.4 106 274 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.484 76.8 142.1 113.6 7.3 29.1 28.5 48.0 107 275 A R < - 0 0 146 -5,-2.7 2,-2.0 -6,-0.2 -1,-0.3 -0.639 52.4-130.8 -83.3 138.9 28.1 27.0 44.7 108 276 A D + 0 0 149 -2,-0.3 -1,-0.1 3,-0.0 -5,-0.1 -0.454 43.9 172.0 -88.2 69.9 26.6 23.5 45.0 109 277 A V - 0 0 24 -2,-2.0 2,-0.2 -10,-0.1 -10,-0.0 -0.296 41.3 -86.7 -80.0 161.5 28.8 21.9 42.3 110 278 A Q - 0 0 154 1,-0.1 2,-1.3 -2,-0.0 -1,-0.1 -0.476 35.7-130.7 -67.6 131.1 29.0 18.2 41.5 111 279 A I + 0 0 80 -2,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.674 59.4 126.8 -85.6 92.9 31.5 16.3 43.7 112 280 A T > + 0 0 44 -2,-1.3 3,-1.5 1,-0.1 -3,-0.0 -0.918 40.7 31.9-143.9 165.9 33.4 14.5 41.0 113 281 A H T 3 S- 0 0 118 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.801 130.5 -41.9 54.3 39.7 36.8 13.7 39.6 114 282 A G T >> S+ 0 0 0 -46,-0.2 4,-1.3 -3,-0.1 -45,-1.3 0.400 102.8 121.0 97.0 -6.1 38.7 13.9 42.9 115 283 A L H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.846 70.5 64.7 -63.5 -30.8 37.0 17.0 44.4 116 284 A D H 3> S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 100.5 51.3 -56.7 -40.3 35.9 14.8 47.3 117 285 A R H <> S+ 0 0 85 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.913 108.7 50.2 -66.7 -38.8 39.6 14.3 48.2 118 286 A T H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.933 112.1 48.2 -62.8 -43.2 40.3 18.1 48.1 119 287 A L H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.909 111.6 47.5 -68.9 -39.9 37.4 18.8 50.4 120 288 A E H < S+ 0 0 107 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.842 115.6 46.2 -71.9 -29.3 38.2 16.1 53.0 121 289 A Q H >< S+ 0 0 24 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.867 111.8 50.4 -76.3 -38.3 41.8 17.3 53.0 122 290 A L H >< S+ 0 0 4 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.855 98.4 68.9 -65.6 -34.0 40.9 21.0 53.3 123 291 A A T 3< S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.770 91.7 60.4 -55.9 -29.9 38.5 20.1 56.2 124 292 A K T < S+ 0 0 176 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.462 95.5 80.2 -77.4 -1.8 41.5 19.4 58.3 125 293 A E S < S- 0 0 40 -3,-2.4 5,-0.0 1,-0.1 -3,-0.0 -0.705 85.9-100.5-107.2 157.3 42.9 22.9 57.9 126 294 A P > - 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