==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 30-SEP-11 3U20 . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR C.Y.KOH,J.E.KIM,S.SHIBATA,E.FAN,C.L.M.J.VERLINDE,W.G.J.HOL . 1067 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 746 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 44 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 398 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 3.5 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 3 3 2 2 5 5 4 1 1 0 0 2 0 1 2 1 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 0 4 0 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 PARALLEL BRIDGES PER LADDER . 8 3 7 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 6 2 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 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 1 238 A V 0 0 183 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.5 5.0 -9.3 41.8 2 239 A E + 0 0 128 3,-0.0 2,-0.2 2,-0.0 267,-0.0 -0.879 360.0 139.5 -90.3 120.6 2.2 -11.1 43.7 3 240 A K - 0 0 38 -2,-0.6 2,-0.5 39,-0.1 39,-0.4 -0.790 61.3 -69.3-143.2-178.2 1.3 -8.8 46.7 4 241 A V - 0 0 14 265,-2.4 2,-0.5 -2,-0.2 39,-0.2 -0.750 52.7-119.3 -80.3 128.4 -1.7 -7.6 48.6 5 242 A F E -a 43 0A 24 37,-3.0 39,-2.7 -2,-0.5 2,-0.6 -0.623 33.4-156.6 -69.7 121.3 -3.6 -5.3 46.3 6 243 A F E +a 44 0A 0 -2,-0.5 268,-2.4 266,-0.3 269,-1.6 -0.912 18.4 171.9-114.4 108.6 -3.6 -2.1 48.3 7 244 A V E -ab 45 275A 0 37,-1.8 39,-2.2 -2,-0.6 2,-0.3 -0.954 8.8-173.1-117.7 139.8 -6.3 0.5 47.7 8 245 A T E -ab 46 276A 0 267,-2.2 269,-2.8 -2,-0.4 39,-0.2 -0.914 17.8-151.4-130.0 154.0 -6.9 3.7 49.8 9 246 A S E - 0 0 0 37,-1.8 269,-0.1 -2,-0.3 17,-0.1 -0.672 44.4 -88.1-102.9 170.6 -9.2 6.6 50.2 10 247 A P E - 0 0 5 0, 0.0 38,-0.7 0, 0.0 2,-0.5 -0.384 39.6-116.2 -66.8 160.8 -8.2 9.9 51.5 11 248 A I E -a 48 0A 0 36,-0.2 38,-0.3 38,-0.1 2,-0.2 -0.924 38.9-132.1 -96.8 129.5 -8.3 10.4 55.3 12 249 A Y E -a 49 0A 6 36,-2.3 38,-2.7 -2,-0.5 2,-0.1 -0.579 10.7-110.3 -94.2 141.1 -10.9 13.1 55.9 13 250 A Y E -a 50 0A 10 -2,-0.2 3,-0.4 36,-0.2 38,-0.2 -0.439 21.6-145.9 -60.7 141.7 -10.6 16.2 58.2 14 251 A V + 0 0 0 36,-1.1 60,-0.2 1,-0.2 -1,-0.1 -0.137 67.1 111.4-107.5 34.8 -12.9 15.8 61.2 15 252 A N S S+ 0 0 58 2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.659 88.1 13.3 -72.0 -21.9 -13.8 19.5 61.5 16 253 A A S S- 0 0 47 -3,-0.4 3,-0.1 1,-0.0 -1,-0.1 -0.932 97.4 -68.9-153.3 167.9 -17.4 18.7 60.5 17 254 A A - 0 0 52 -2,-0.3 -2,-0.1 1,-0.1 57,-0.1 -0.163 60.7 -89.3 -65.1 154.3 -19.8 15.7 60.0 18 255 A P + 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.369 55.4 173.5 -64.1 145.4 -19.3 13.2 57.2 19 256 A H >> - 0 0 100 -3,-0.1 4,-1.9 308,-0.1 3,-0.7 -0.687 45.8 -65.3-143.2-168.0 -21.0 14.2 54.0 20 257 A I H 3> S+ 0 0 9 306,-0.4 4,-2.8 1,-0.2 5,-0.2 0.865 122.1 55.8 -61.3 -42.5 -21.4 13.1 50.3 21 258 A G H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.858 110.7 45.6 -57.2 -38.7 -17.9 13.8 49.1 22 259 A H H <> S+ 0 0 23 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.878 113.4 48.9 -71.9 -42.5 -16.4 11.4 51.8 23 260 A V H X S+ 0 0 3 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 112.6 49.6 -64.2 -39.6 -19.0 8.8 51.1 24 261 A Y H X S+ 0 0 2 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.923 110.9 47.6 -64.3 -49.2 -18.3 9.0 47.4 25 262 A S H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.890 114.6 45.3 -62.8 -42.5 -14.5 8.8 47.8 26 263 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.822 109.2 57.8 -73.2 -30.6 -14.6 5.8 50.1 27 264 A L H X S+ 0 0 3 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.933 106.0 48.3 -59.9 -47.6 -17.2 4.1 47.8 28 265 A I H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.932 113.0 48.6 -60.8 -46.3 -14.8 4.3 44.9 29 266 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.933 112.8 49.0 -53.2 -47.3 -12.1 2.8 47.2 30 267 A D H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.895 110.0 49.5 -64.4 -43.3 -14.6 0.1 48.3 31 268 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.933 110.5 49.7 -63.1 -47.0 -15.6 -0.8 44.7 32 269 A I H X S+ 0 0 2 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.955 113.9 47.0 -56.0 -50.2 -12.1 -1.2 43.5 33 270 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.938 111.4 50.2 -56.3 -50.5 -11.3 -3.4 46.5 34 271 A R H X S+ 0 0 43 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.886 107.1 55.2 -57.0 -41.6 -14.4 -5.5 46.1 35 272 A Y H X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.916 108.3 47.6 -60.9 -42.1 -13.6 -6.1 42.4 36 273 A H H <>S+ 0 0 6 -4,-1.8 5,-2.6 2,-0.2 4,-0.3 0.816 109.2 53.4 -71.4 -28.8 -10.1 -7.4 43.2 37 274 A R H ><5S+ 0 0 48 -4,-1.8 3,-1.6 3,-0.2 -1,-0.2 0.918 106.0 53.7 -67.8 -39.9 -11.5 -9.7 45.8 38 275 A V H 3<5S+ 0 0 21 -4,-2.2 462,-3.6 1,-0.3 -2,-0.2 0.826 103.6 55.9 -63.1 -33.3 -13.9 -11.1 43.2 39 276 A K T 3<5S- 0 0 38 -4,-1.5 462,-0.8 460,-0.2 -1,-0.3 0.594 125.5-109.4 -69.9 -12.1 -10.9 -11.8 41.0 40 277 A G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.2 0.608 71.4 141.3 94.2 16.9 -9.6 -13.8 44.0 41 278 A E < - 0 0 65 -5,-2.6 2,-0.4 1,-0.1 -1,-0.3 -0.468 59.7-105.4 -88.8 156.4 -6.8 -11.5 45.0 42 279 A R - 0 0 99 -39,-0.4 -37,-3.0 -2,-0.1 2,-0.4 -0.710 47.1-170.0 -75.6 135.1 -5.7 -10.5 48.5 43 280 A V E -a 5 0A 19 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.980 25.2-171.3-134.5 139.6 -6.9 -7.0 49.1 44 281 A F E -a 6 0A 10 -39,-2.7 -37,-1.8 -2,-0.4 2,-0.5 -0.947 13.4-170.7-126.2 111.4 -6.3 -4.4 51.8 45 282 A A E -a 7 0A 0 -2,-0.4 46,-1.4 -39,-0.2 45,-1.3 -0.899 8.4-164.4-104.9 128.3 -8.7 -1.4 51.5 46 283 A L E +ac 8 91A 0 -39,-2.2 -37,-1.8 -2,-0.5 2,-0.3 -0.872 18.6 152.9-117.8 141.0 -7.9 1.6 53.8 47 284 A T E + c 0 92A 2 44,-1.9 46,-2.6 -2,-0.4 2,-0.3 -0.903 15.4 124.4-145.8 178.0 -9.9 4.7 54.8 48 285 A G E -ac 11 93A 0 -38,-0.7 -36,-2.3 44,-0.3 2,-0.4 -1.000 45.5 -57.8 163.3-159.5 -9.9 7.0 57.9 49 286 A T E -ac 12 94A 0 44,-2.4 46,-1.6 -38,-0.3 2,-0.7 -0.953 21.0-142.6-131.7 142.5 -9.6 10.4 59.4 50 287 A D E +a 13 0A 0 -38,-2.7 -36,-1.1 -2,-0.4 44,-0.1 -0.902 31.1 169.3-103.1 107.6 -7.1 13.3 59.4 51 288 A E + 0 0 0 -2,-0.7 2,-0.1 -38,-0.2 -1,-0.1 0.499 41.4 73.5-113.1 -7.6 -7.3 14.6 63.0 52 289 A H + 0 0 7 184,-0.1 4,-0.5 4,-0.1 171,-0.2 -0.416 60.7 70.2 -95.9 177.6 -4.5 17.0 63.6 53 290 A G S > S- 0 0 0 169,-2.5 4,-2.4 166,-0.2 5,-0.1 -0.201 85.3 -73.4 106.4 171.4 -3.8 20.5 62.4 54 291 A Q H > S+ 0 0 17 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.902 123.2 57.3 -71.4 -42.8 -5.0 24.1 62.8 55 292 A K H > S+ 0 0 32 73,-0.4 4,-2.1 1,-0.2 3,-0.2 0.968 114.7 36.8 -50.6 -61.1 -8.2 23.5 60.9 56 293 A V H > S+ 0 0 0 -4,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.899 116.2 53.2 -61.9 -43.9 -9.4 20.7 63.1 57 294 A A H X S+ 0 0 8 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.857 112.3 44.7 -61.5 -37.6 -8.1 22.3 66.3 58 295 A E H X S+ 0 0 67 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.818 107.4 58.0 -78.6 -30.6 -9.9 25.6 65.6 59 296 A A H X S+ 0 0 12 -4,-2.1 4,-1.1 -5,-0.3 -2,-0.2 0.850 107.6 50.1 -61.5 -32.8 -13.1 23.7 64.7 60 297 A A H <>S+ 0 0 1 -4,-1.6 5,-2.0 2,-0.2 4,-0.2 0.814 107.0 51.9 -76.1 -34.4 -12.9 22.2 68.2 61 298 A K H ><5S+ 0 0 166 -4,-1.2 3,-0.7 3,-0.2 -2,-0.2 0.874 105.5 56.7 -68.3 -37.7 -12.5 25.6 69.9 62 299 A Q H 3<5S+ 0 0 152 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.868 110.2 43.4 -59.7 -40.5 -15.6 26.9 68.1 63 300 A K T 3<5S- 0 0 147 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.456 113.7-127.5 -83.1 -3.3 -17.7 24.0 69.5 64 301 A Q T < 5 + 0 0 171 -3,-0.7 2,-0.3 -4,-0.2 -3,-0.2 0.885 65.4 114.0 62.5 45.5 -15.9 24.7 72.9 65 302 A V S - 0 0 44 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.298 36.4-128.4 -55.1 142.5 -11.3 19.4 74.1 67 304 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 110.6 54.8 -66.1 -30.8 -9.7 18.4 70.8 68 305 A Y H > S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.936 113.8 41.5 -63.7 -45.8 -9.3 14.8 72.0 69 306 A D H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 115.7 50.0 -68.9 -41.2 -13.1 14.7 72.7 70 307 A F H X S+ 0 0 19 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.941 113.3 43.9 -62.7 -48.8 -13.9 16.5 69.5 71 308 A T H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.907 113.2 51.9 -68.3 -39.8 -11.9 14.3 67.2 72 309 A T H X S+ 0 0 76 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.867 111.7 47.1 -60.8 -39.5 -13.1 11.1 68.9 73 310 A A H X S+ 0 0 56 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.949 116.3 42.0 -69.0 -49.2 -16.7 12.2 68.5 74 311 A V H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 3,-0.2 0.915 112.0 54.5 -69.7 -41.2 -16.5 13.2 64.8 75 312 A A H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.931 107.0 53.0 -53.2 -47.4 -14.3 10.1 64.0 76 313 A G H X S+ 0 0 38 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.842 105.5 54.0 -54.3 -38.1 -17.1 8.1 65.5 77 314 A E H X S+ 0 0 85 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.885 109.3 48.0 -64.6 -41.6 -19.6 9.8 63.2 78 315 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.899 112.3 48.8 -62.4 -43.9 -17.5 8.9 60.2 79 316 A K H X S+ 0 0 83 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.908 112.3 47.8 -64.0 -44.3 -17.2 5.2 61.4 80 317 A K H X S+ 0 0 154 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 111.1 52.0 -61.3 -43.8 -21.0 5.0 62.0 81 318 A C H X S+ 0 0 17 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.877 111.9 45.4 -62.6 -39.7 -21.6 6.5 58.5 82 319 A F H X>S+ 0 0 14 -4,-2.0 5,-1.1 2,-0.2 4,-0.7 0.851 110.4 53.0 -76.8 -34.8 -19.4 4.0 56.8 83 320 A E H ><5S+ 0 0 148 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.960 111.3 48.2 -58.1 -48.1 -20.8 1.1 58.7 84 321 A Q H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.819 104.5 58.8 -64.6 -32.3 -24.3 2.2 57.6 85 322 A M H 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.638 106.9-130.8 -74.4 -13.9 -23.1 2.6 54.0 86 323 A D T <<5 + 0 0 38 -3,-1.3 -3,-0.2 -4,-0.7 2,-0.1 0.953 44.7 163.1 67.8 51.6 -22.2 -1.1 54.0 87 324 A Y < - 0 0 25 -5,-1.1 -1,-0.1 2,-0.0 -60,-0.1 -0.388 42.1-132.5 -85.6 174.0 -18.7 -1.0 52.6 88 325 A S + 0 0 44 -2,-0.1 2,-0.3 0, 0.0 -43,-0.2 -0.441 44.3 158.6-126.0 55.3 -16.1 -3.7 52.9 89 326 A I - 0 0 40 1,-0.1 -43,-0.1 -7,-0.1 3,-0.1 -0.650 34.8-148.9 -81.6 136.3 -13.2 -1.6 54.1 90 327 A D S S+ 0 0 58 -45,-1.3 2,-0.3 -2,-0.3 -44,-0.2 0.780 73.3 11.2 -81.5 -28.4 -10.5 -3.5 55.9 91 328 A Y E -c 46 0A 18 -46,-1.4 -44,-1.9 2,-0.0 2,-0.6 -0.979 52.5-151.8-156.7 141.0 -9.2 -0.8 58.3 92 329 A F E -c 47 0A 30 164,-0.4 2,-0.3 -2,-0.3 -44,-0.3 -0.953 26.7-160.6-113.3 109.7 -10.2 2.7 59.5 93 330 A I E -c 48 0A 0 -46,-2.6 -44,-2.4 -2,-0.6 2,-0.4 -0.680 8.1-161.5-100.3 143.9 -7.1 4.7 60.5 94 331 A R E > -c 49 0A 53 -2,-0.3 3,-2.3 -46,-0.2 6,-0.2 -0.992 19.4-141.1-125.2 129.2 -6.9 7.7 62.8 95 332 A T T 3 S+ 0 0 0 -46,-1.6 -45,-0.1 -2,-0.4 6,-0.1 0.719 101.7 67.6 -68.6 -16.2 -3.9 10.1 62.8 96 333 A T T 3 S+ 0 0 37 -47,-0.2 -1,-0.3 4,-0.1 -46,-0.1 0.606 76.1 119.0 -69.5 -12.7 -4.3 10.4 66.6 97 334 A N <> - 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0 0 70 -7,-0.2 2,-0.3 -2,-0.2 -5,-0.1 -0.637 15.1-165.8 -99.2 155.7 -28.7 19.2 51.4 326 563 A F - 0 0 6 -2,-0.2 -306,-0.4 -13,-0.0 -6,-0.0 -0.763 8.4-176.9-141.2 91.5 -27.7 15.8 50.1 327 564 A D > - 0 0 63 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.824 11.0-162.4 -91.8 116.5 -27.7 13.1 52.8 328 565 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 89.5 52.1 -69.9 -39.9 -26.6 9.8 51.3 329 566 A V H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.948 112.1 47.1 -57.0 -47.9 -27.9 7.6 54.2 330 567 A E H > S+ 0 0 131 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.869 114.6 45.7 -64.5 -37.4 -31.4 9.3 53.8 331 568 A K H X S+ 0 0 40 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.806 113.2 51.2 -73.3 -28.9 -31.3 8.9 50.0 332 569 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.872 109.6 49.2 -72.4 -39.3 -30.2 5.3 50.5 333 570 A E H < S+ 0 0 126 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.863 116.6 44.4 -64.8 -35.7 -33.0 4.6 52.9 334 571 A E H < S+ 0 0 134 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.939 132.9 14.2 -74.4 -48.9 -35.4 6.1 50.4 335 572 A F H < S- 0 0 18 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.576 115.1 -90.5-108.3 -13.6 -34.2 4.4 47.2 336 573 A G X - 0 0 28 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 -0.058 26.7-104.2 109.0 145.8 -31.9 1.6 48.4 337 574 A Y H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.968 117.2 43.1 -69.4 -57.3 -28.2 1.3 49.1 338 575 A D H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.863 115.0 53.7 -59.5 -33.2 -27.0 -0.6 46.0 339 576 A A H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 109.1 46.0 -67.3 -46.2 -29.2 1.7 43.9 340 577 A L H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.887 114.0 49.9 -62.4 -40.0 -27.7 4.9 45.3 341 578 A K H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.910 109.7 51.3 -63.9 -42.8 -24.2 3.4 44.9 342 579 A Y H X S+ 0 0 2 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.956 111.5 48.0 -58.4 -49.8 -25.0 2.5 41.3 343 580 A F H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.947 110.6 48.2 -57.7 -54.6 -26.2 6.0 40.6 344 581 A L H X S+ 0 0 2 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.850 119.0 42.6 -57.2 -32.7 -23.2 7.8 42.1 345 582 A L H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.776 121.3 39.0 -85.2 -26.4 -21.0 5.4 40.1 346 583 A R H < S+ 0 0 42 -4,-2.6 -2,-0.2 -3,-0.2 -3,-0.2 0.798 106.3 61.8 -89.0 -34.8 -22.9 5.5 36.8 347 584 A E H < S+ 0 0 49 -4,-3.3 2,-0.4 -5,-0.3 -3,-0.1 0.847 109.6 27.0 -71.7 -36.1 -24.0 9.2 36.6 348 585 A S < - 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