==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-08 2K7X . COMPND 2 MOLECULE: SARS-COV MAIN PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR B.XIA,N.ZHONG . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.7 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 . 1 0.8 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 . 2 1.7 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 . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 1 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 187 A D 0 0 190 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 155.8 8.8 17.4 9.5 2 188 A R + 0 0 120 1,-0.1 2,-1.3 2,-0.1 0, 0.0 -0.186 360.0 141.1 40.7 -90.1 11.0 15.2 7.2 3 189 A Q S S+ 0 0 162 -2,-0.4 2,-2.0 47,-0.1 49,-0.2 -0.473 76.8 54.9 47.7 -84.0 8.9 14.1 4.1 4 190 A T S S+ 0 0 127 -2,-1.3 3,-0.4 2,-0.1 -1,-0.1 -0.485 82.4 169.6 -65.9 72.4 11.9 14.6 1.8 5 191 A A + 0 0 19 -2,-2.0 6,-0.1 44,-0.3 7,-0.1 -0.067 49.8 53.3 -63.0-178.7 14.3 12.3 3.7 6 192 A Q > + 0 0 102 1,-0.1 3,-2.0 2,-0.1 4,-0.4 0.292 60.5 127.2 61.7 -0.2 17.8 11.3 2.3 7 193 A A T 3 + 0 0 97 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.713 66.7 70.9 -49.9 -20.2 18.9 14.9 1.6 8 194 A A T 3 S- 0 0 73 2,-0.2 -1,-0.3 1,-0.0 3,-0.2 0.212 117.6-115.3 -75.0 9.2 21.9 13.7 3.7 9 195 A G S < S+ 0 0 66 -3,-2.0 2,-0.2 1,-0.2 -2,-0.2 0.683 100.3 37.4 59.8 18.1 22.9 11.5 0.6 10 196 A T + 0 0 89 -4,-0.4 2,-1.3 3,-0.0 -1,-0.2 -0.549 66.9 97.8-158.9-148.1 22.3 8.6 3.0 11 197 A D + 0 0 69 -2,-0.2 2,-0.1 -3,-0.2 -4,-0.1 -0.029 58.4 119.5 74.8 -28.1 19.6 8.0 5.7 12 198 A T S S- 0 0 30 -2,-1.3 41,-0.3 1,-0.1 2,-0.2 -0.368 70.1-108.9 -69.6 141.3 17.1 5.8 3.6 13 199 A T B -a 53 0A 30 39,-2.8 41,-1.9 1,-0.1 2,-1.4 -0.486 35.0-111.8 -62.9 139.2 16.2 2.2 4.5 14 200 A I >> - 0 0 64 1,-0.2 4,-1.8 -2,-0.2 3,-0.9 -0.635 33.3-168.9 -77.6 94.5 17.8 -0.2 2.0 15 201 A T H 3> S+ 0 0 2 -2,-1.4 4,-2.5 1,-0.3 5,-0.2 0.900 83.4 58.2 -54.7 -45.5 14.5 -1.4 0.4 16 202 A L H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.852 107.0 47.8 -47.0 -45.1 16.3 -4.2 -1.4 17 203 A N H <> S+ 0 0 10 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.837 107.8 52.9 -78.5 -33.1 17.5 -5.6 2.0 18 204 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.941 112.2 46.8 -63.9 -43.7 14.1 -5.4 3.6 19 205 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 50.4 -63.6 -41.4 12.7 -7.4 0.7 20 206 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 109.5 50.7 -59.4 -44.3 15.6 -9.8 1.0 21 207 A W H X S+ 0 0 1 -4,-2.6 4,-1.9 84,-0.3 -2,-0.2 0.871 107.4 53.6 -65.3 -35.1 14.9 -10.2 4.8 22 208 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.954 109.9 47.7 -62.7 -45.4 11.2 -10.9 3.9 23 209 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.890 107.0 57.7 -59.5 -37.4 12.4 -13.7 1.6 24 210 A A H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.891 105.9 49.4 -59.5 -40.3 14.7 -14.9 4.4 25 211 A A H X>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-1.9 0.936 110.1 50.1 -64.2 -44.8 11.6 -15.3 6.6 26 212 A V H <5S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 5,-0.2 0.929 114.0 46.1 -58.4 -45.6 9.8 -17.3 3.8 27 213 A I H <5S+ 0 0 62 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.907 110.9 51.9 -59.1 -47.3 12.9 -19.5 3.5 28 214 A N H <5S- 0 0 104 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.766 126.3 -96.9 -68.9 -27.4 13.2 -19.9 7.3 29 215 A G T <5S+ 0 0 69 -4,-1.9 -3,-0.2 -3,-0.2 2,-0.2 0.629 92.8 110.0 120.2 29.8 9.5 -21.0 7.6 30 216 A D < + 0 0 45 -5,-2.8 3,-0.3 -8,-0.1 2,-0.2 -0.603 25.4 141.5-134.7 62.5 7.8 -17.8 8.6 31 217 A R > + 0 0 146 -5,-0.2 3,-0.8 -2,-0.2 -5,-0.1 -0.203 20.6 124.7-103.5 44.3 5.7 -16.6 5.6 32 218 A W T 3 S+ 0 0 96 -2,-0.2 -1,-0.2 1,-0.2 63,-0.1 0.875 70.1 58.1 -74.8 -28.8 2.4 -15.2 7.2 33 219 A F T 3 S+ 0 0 10 -3,-0.3 -1,-0.2 -11,-0.1 51,-0.2 0.419 77.9 120.7 -81.9 -5.3 2.6 -11.8 5.6 34 220 A L < - 0 0 39 -3,-0.8 2,-0.2 1,-0.1 44,-0.1 -0.286 42.6-168.4 -65.5 154.9 2.7 -13.0 2.0 35 221 A N - 0 0 31 42,-0.2 46,-0.1 2,-0.2 -1,-0.1 -0.569 30.7-122.6-137.8-179.2 -0.1 -11.9 -0.3 36 222 A R S S+ 0 0 193 -2,-0.2 2,-0.2 44,-0.1 -2,-0.0 0.417 77.5 91.8-112.9 -7.6 -1.6 -12.6 -3.7 37 223 A F - 0 0 145 40,-0.1 2,-0.5 41,-0.0 43,-0.3 -0.571 59.3-149.0 -92.0 159.2 -1.4 -9.2 -5.4 38 224 A T - 0 0 85 -2,-0.2 39,-0.2 42,-0.1 38,-0.1 -0.909 22.2-156.7-127.5 90.0 1.5 -7.9 -7.5 39 225 A T - 0 0 20 37,-1.3 41,-0.1 -2,-0.5 40,-0.1 -0.289 29.0 -90.1 -67.1 157.9 1.6 -4.1 -7.0 40 226 A T > - 0 0 98 1,-0.1 4,-2.7 39,-0.1 5,-0.2 -0.444 30.2-126.2 -65.9 144.0 3.2 -1.8 -9.6 41 227 A L H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 15,-0.2 0.887 111.2 41.6 -58.1 -41.7 7.0 -1.2 -9.2 42 228 A N H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 112.4 52.7 -78.7 -36.2 6.4 2.6 -9.2 43 229 A D H > S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.914 108.2 53.0 -63.8 -38.9 3.3 2.5 -7.0 44 230 A F H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 3,-0.3 0.939 108.6 49.8 -55.4 -48.3 5.4 0.5 -4.5 45 231 A N H X S+ 0 0 13 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.890 105.7 56.4 -59.4 -42.6 8.0 3.2 -4.6 46 232 A L H < S+ 0 0 100 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.844 114.7 38.8 -62.3 -34.6 5.4 5.9 -4.0 47 233 A V H >< S+ 0 0 25 -4,-1.8 3,-1.3 -3,-0.3 4,-0.3 0.965 116.5 51.2 -72.0 -55.9 4.3 4.1 -0.8 48 234 A A H >< S+ 0 0 0 -4,-3.2 3,-2.6 1,-0.3 5,-0.2 0.876 102.4 57.6 -52.6 -49.9 7.9 3.0 0.3 49 235 A M G >< S+ 0 0 78 -4,-2.9 3,-1.5 1,-0.3 -1,-0.3 0.776 94.3 68.8 -58.2 -26.4 9.5 6.5 -0.0 50 236 A K G < S+ 0 0 151 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.608 102.1 46.1 -64.2 -12.5 6.9 7.9 2.5 51 237 A Y G < S- 0 0 91 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.018 131.1 -87.7-120.5 22.5 8.6 5.8 5.2 52 238 A N S < S+ 0 0 27 -3,-1.5 -39,-2.8 1,-0.2 2,-0.3 0.976 80.0 141.9 64.3 63.5 12.2 6.7 4.4 53 239 A Y B -a 13 0A 16 -41,-0.3 -1,-0.2 -5,-0.2 -39,-0.2 -0.935 52.2-111.1-125.2 151.7 13.1 4.1 1.8 54 240 A E - 0 0 70 -41,-1.9 2,-0.3 -2,-0.3 -6,-0.0 -0.484 44.6 -97.0 -70.1 151.3 15.1 4.1 -1.4 55 241 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.560 38.3-134.2 -67.0 128.5 13.2 3.7 -4.7 56 242 A L - 0 0 1 -2,-0.3 2,-0.3 -15,-0.2 -11,-0.1 -0.402 29.3-178.6 -72.2 160.0 13.2 0.1 -6.0 57 243 A T > - 0 0 56 -2,-0.1 4,-2.6 1,-0.0 5,-0.1 -0.908 46.8 -88.5-149.3 174.1 14.0 -0.6 -9.7 58 244 A Q H > S+ 0 0 131 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.827 126.9 56.3 -57.5 -31.8 14.3 -3.4 -12.2 59 245 A D H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 108.5 44.7 -67.2 -45.1 18.0 -3.6 -11.2 60 246 A H H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.911 111.7 54.3 -62.8 -43.3 17.0 -4.2 -7.5 61 247 A V H X S+ 0 0 23 -4,-2.6 4,-0.9 1,-0.2 3,-0.2 0.931 106.7 52.1 -52.3 -49.3 14.3 -6.7 -8.8 62 248 A D H >< S+ 0 0 117 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.875 105.2 54.3 -59.7 -37.9 17.1 -8.6 -10.7 63 249 A I H 3< S+ 0 0 54 -4,-1.8 4,-0.3 1,-0.3 -1,-0.2 0.876 108.5 48.8 -69.4 -35.1 19.3 -8.8 -7.5 64 250 A L H >X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.2 3,-1.2 0.715 85.3 104.9 -68.0 -19.6 16.4 -10.5 -5.6 65 251 A G H S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.896 115.3 44.9 -57.2 -43.6 17.6 -16.0 -7.0 67 253 A L H <> S+ 0 0 0 -3,-1.2 4,-2.2 -4,-0.3 6,-0.3 0.927 113.1 50.7 -66.2 -44.4 15.5 -15.6 -3.8 68 254 A S H X>S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.2 5,-0.9 0.913 113.5 46.4 -56.7 -44.8 12.3 -14.9 -5.8 69 255 A A H <5S+ 0 0 80 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.905 111.9 50.5 -64.4 -44.1 13.1 -18.1 -7.9 70 256 A Q H <5S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 120.3 34.3 -63.5 -38.2 13.8 -20.2 -4.8 71 257 A T H <5S- 0 0 29 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.688 102.0-125.9 -94.4 -20.9 10.6 -19.2 -3.0 72 258 A G T <5S+ 0 0 68 -4,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.619 70.2 125.0 79.6 16.7 8.3 -18.9 -6.1 73 259 A I < - 0 0 20 -5,-0.9 -1,-0.3 -6,-0.3 -2,-0.2 -0.947 58.0-134.2-110.6 116.4 7.3 -15.4 -5.1 74 260 A A >> - 0 0 55 -2,-0.5 4,-2.2 1,-0.1 3,-1.0 -0.388 23.6-114.8 -60.8 152.8 7.8 -12.6 -7.7 75 261 A V H 3> S+ 0 0 9 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.883 117.3 58.5 -59.7 -37.2 9.4 -9.4 -6.4 76 262 A L H 3> S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 -37,-1.3 0.776 106.4 48.5 -64.1 -28.0 6.2 -7.5 -7.2 77 263 A D H <> S+ 0 0 22 -3,-1.0 4,-2.5 -39,-0.2 -2,-0.2 0.911 110.5 49.5 -75.5 -41.2 4.4 -9.9 -4.8 78 264 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.881 109.0 54.8 -63.2 -35.6 7.0 -9.3 -2.2 79 265 A C H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.932 107.9 48.3 -57.6 -49.9 6.5 -5.6 -2.8 80 266 A A H X S+ 0 0 5 -4,-1.5 4,-1.4 -43,-0.3 -2,-0.2 0.891 110.9 50.4 -63.9 -37.3 2.8 -6.0 -2.1 81 267 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 3,-0.4 0.950 111.1 49.1 -61.2 -46.4 3.5 -8.0 1.1 82 268 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.890 103.6 61.0 -63.3 -37.1 5.9 -5.1 2.1 83 269 A K H X S+ 0 0 38 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.882 104.0 50.2 -55.1 -41.3 3.1 -2.6 1.3 84 270 A E H X S+ 0 0 88 -4,-1.4 4,-2.4 -3,-0.4 5,-0.3 0.957 109.7 49.4 -63.4 -45.8 1.0 -4.3 4.0 85 271 A L H X>S+ 0 0 4 -4,-1.8 5,-1.2 2,-0.2 4,-1.1 0.799 111.9 49.5 -63.7 -30.4 3.8 -4.1 6.5 86 272 A L H <5S+ 0 0 14 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.954 113.7 44.1 -70.3 -50.2 4.3 -0.4 5.7 87 273 A Q H <5S+ 0 0 127 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 126.8 32.3 -62.3 -34.2 0.6 0.5 6.1 88 274 A N H ><5S- 0 0 87 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 0.570 98.0-133.3 -97.2 -16.1 0.3 -1.6 9.3 89 275 A G T 3<5S- 0 0 51 -4,-1.1 2,-0.4 -5,-0.3 -3,-0.2 0.957 73.3 -55.6 63.6 45.6 3.8 -1.1 10.6 90 276 A M T > S-B 98 0B 0 3,-2.0 3,-2.4 5,-0.2 5,-0.2 -0.992 88.1 -5.3-131.8 132.0 8.9 -11.6 11.3 96 282 A L T 3 S- 0 0 59 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.810 127.9 -66.5 49.3 33.2 11.9 -13.8 11.9 97 283 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.475 110.7 126.4 67.6 3.7 11.1 -13.3 15.6 98 284 A S B < -B 95 0B 27 -3,-2.4 -3,-2.0 2,-0.1 -1,-0.3 -0.631 58.1-146.9 -94.3 151.3 12.0 -9.6 15.1 99 285 A T S S+ 0 0 112 -2,-0.2 2,-0.3 -5,-0.2 -1,-0.1 0.225 78.6 48.2-101.7 8.1 9.7 -6.7 16.1 100 286 A I S S- 0 0 109 -5,-0.2 2,-0.8 -10,-0.0 -5,-0.2 -0.934 93.6 -93.0-146.0 160.4 10.9 -4.4 13.3 101 287 A L - 0 0 40 -2,-0.3 2,-0.2 -16,-0.1 -83,-0.1 -0.724 49.2-151.2 -76.8 107.8 11.5 -4.4 9.5 102 288 A E + 0 0 43 -2,-0.8 -81,-0.2 -84,-0.1 -80,-0.1 -0.578 24.5 179.7 -88.7 154.2 15.2 -5.3 9.3 103 289 A D + 0 0 49 -2,-0.2 -85,-0.2 -82,-0.1 -86,-0.2 0.084 52.2 104.2-138.5 20.5 17.5 -4.1 6.4 104 290 A E + 0 0 146 -87,-0.1 2,-0.5 1,-0.1 -86,-0.1 0.378 65.9 78.1 -90.9 5.0 20.9 -5.6 7.4 105 291 A F - 0 0 65 -88,-0.2 -84,-0.3 -3,-0.1 -85,-0.2 -0.955 64.8-151.2-127.5 112.7 20.9 -8.5 4.8 106 292 A T >> - 0 0 70 -2,-0.5 4,-1.9 -86,-0.1 3,-1.3 -0.475 35.6-107.0 -69.5 154.4 21.6 -8.2 1.1 107 293 A P H 3> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 120.8 55.6 -51.4 -42.3 19.9 -10.7 -1.2 108 294 A F H 3> S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.777 104.2 51.9 -58.6 -35.1 23.2 -12.5 -1.7 109 295 A D H <> S+ 0 0 48 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.924 109.9 48.4 -70.1 -41.2 23.6 -13.0 2.0 110 296 A V H X S+ 0 0 2 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.893 110.6 53.1 -64.0 -38.4 20.1 -14.5 2.3 111 297 A V H >< S+ 0 0 43 -4,-2.6 3,-1.0 -5,-0.2 4,-0.3 0.956 109.9 47.8 -56.9 -50.9 21.1 -16.7 -0.7 112 298 A R H >< S+ 0 0 149 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.865 99.9 65.1 -63.3 -37.1 24.2 -17.8 1.1 113 299 A Q H >< S+ 0 0 95 -4,-2.5 3,-0.5 1,-0.3 -1,-0.3 0.826 88.7 70.7 -55.6 -28.3 22.2 -18.5 4.3 114 300 A C T << S+ 0 0 18 -4,-1.1 2,-0.8 -3,-1.0 4,-0.5 0.737 71.4 93.4 -58.9 -19.6 20.4 -21.3 2.3 115 301 A S T < + 0 0 50 -3,-2.1 2,-2.2 -4,-0.3 -1,-0.2 0.172 42.7 133.8 -65.6 21.7 23.8 -23.3 2.4 116 302 A G S < S- 0 0 69 -2,-0.8 -1,-0.2 -3,-0.5 3,-0.1 -0.270 100.6 -47.8 -70.6 48.7 22.6 -25.2 5.6 117 303 A V S S+ 0 0 153 -2,-2.2 2,-0.2 1,-0.7 -1,-0.2 -0.173 132.0 81.8 105.2 -24.1 23.8 -28.6 4.1 118 304 A T S S- 0 0 80 -4,-0.5 -1,-0.7 2,-0.1 2,-0.2 -0.572 78.8-134.3 -81.2 163.5 22.1 -28.1 0.7 119 305 A F 0 0 182 -2,-0.2 -4,-0.1 -3,-0.1 -7,-0.1 -0.637 360.0 360.0-159.7 100.0 24.1 -26.0 -1.8 120 306 A Q 0 0 136 -2,-0.2 -2,-0.1 -9,-0.1 -4,-0.1 -0.966 360.0 360.0 -62.8 360.0 22.1 -24.0 -3.0