==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-11 3S0Q . COMPND 2 MOLECULE: INVASION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.BOTH,R.SCHNELL,G.SCHNEIDER . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 11 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 0 0 1 0 0 1 0 1 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 . 5 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 1 265 A G 0 0 119 0, 0.0 196,-0.4 0, 0.0 161,-0.1 0.000 360.0 360.0 360.0-168.3 21.6 19.6 25.4 2 266 A L + 0 0 112 194,-0.1 160,-0.4 159,-0.1 2,-0.3 0.592 360.0 56.2 -82.7 -15.6 20.7 18.5 21.9 3 267 A W S S- 0 0 64 159,-0.1 195,-0.1 158,-0.1 194,-0.1 -0.791 86.8-105.3-124.1 155.5 19.5 15.0 23.0 4 268 A D > - 0 0 2 -2,-0.3 3,-1.4 193,-0.3 193,-0.1 -0.759 35.8-153.4 -71.6 113.9 17.0 13.2 25.2 5 269 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.577 85.4 69.5 -76.8 -4.1 19.6 12.0 27.8 6 270 A T T 3 S+ 0 0 87 190,-0.1 3,-0.0 2,-0.1 -2,-0.0 0.592 101.4 49.3 -82.5 -10.8 17.5 9.0 28.7 7 271 A L S < S- 0 0 15 -3,-1.4 176,-0.1 1,-0.1 161,-0.0 -0.808 110.2 -67.5-121.4 164.0 18.1 7.3 25.4 8 272 A P - 0 0 52 0, 0.0 2,-1.5 0, 0.0 -4,-0.2 -0.261 46.4-134.3 -50.1 129.9 21.2 6.6 23.3 9 273 A M S S+ 0 0 107 -4,-0.1 -7,-0.0 -6,-0.1 158,-0.0 -0.404 73.1 93.4 -94.3 59.1 22.5 10.0 22.2 10 274 A I S S- 0 0 88 -2,-1.5 2,-0.1 157,-0.1 -3,-0.0 -0.910 87.8 -76.7-138.5 161.9 23.0 8.9 18.6 11 275 A P - 0 0 68 0, 0.0 156,-0.3 0, 0.0 3,-0.1 -0.417 53.9-110.0 -63.8 145.2 21.0 9.0 15.4 12 276 A S - 0 0 12 154,-3.3 127,-0.1 1,-0.2 156,-0.1 -0.134 52.6 -65.1 -66.3 166.3 18.3 6.4 15.2 13 277 A A - 0 0 3 154,-0.1 2,-0.6 1,-0.1 125,-0.4 -0.263 48.6-153.5 -57.7 140.0 18.5 3.5 12.7 14 278 A N - 0 0 95 123,-0.1 123,-0.2 -3,-0.1 -1,-0.1 -0.922 14.2-178.2-125.5 97.8 18.3 4.8 9.1 15 279 A I B -A 136 0A 31 121,-3.0 121,-0.6 -2,-0.6 82,-0.0 -0.910 22.4-132.1-106.2 120.7 16.9 2.1 6.8 16 280 A P - 0 0 103 0, 0.0 -2,-0.0 0, 0.0 121,-0.0 -0.254 47.3 -21.0 -79.3 160.0 16.9 3.2 3.2 17 281 A G S S- 0 0 71 1,-0.2 119,-0.3 2,-0.0 -2,-0.1 -0.178 105.9 -26.0 65.8-136.7 14.3 3.1 0.5 18 282 A D - 0 0 72 117,-0.1 -1,-0.2 15,-0.1 3,-0.1 -0.822 69.3-153.4-127.2 85.8 11.3 0.8 0.4 19 283 A P - 0 0 40 0, 0.0 14,-2.6 0, 0.0 15,-0.2 -0.180 26.4 -98.1 -63.2 148.5 12.0 -2.3 2.5 20 284 A I E +B 32 0B 86 12,-0.3 12,-0.3 1,-0.2 3,-0.1 -0.495 43.5 176.2 -59.0 130.3 10.4 -5.7 2.0 21 285 A A E + 0 0 14 10,-2.8 2,-0.4 1,-0.3 11,-0.2 0.675 59.4 39.0-112.5 -32.8 7.6 -5.9 4.6 22 286 A V E +B 31 0B 47 9,-2.3 9,-1.8 2,-0.0 2,-0.4 -0.988 57.4 176.6-128.8 130.7 5.9 -9.2 3.9 23 287 A V E -B 30 0B 81 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.992 5.3-179.7-132.4 127.6 7.5 -12.5 2.9 24 288 A N E >> -B 29 0B 56 5,-2.9 4,-2.0 -2,-0.4 5,-2.0 -0.895 2.8-175.9-126.5 102.3 5.5 -15.7 2.5 25 289 A Q T 45S+ 0 0 166 -2,-0.5 -1,-0.1 3,-0.2 5,-0.0 0.562 81.3 54.1 -79.5 -7.8 7.9 -18.5 1.6 26 290 A V T 45S+ 0 0 136 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.885 118.0 33.1 -88.1 -48.6 5.1 -21.1 1.1 27 291 A L T 45S- 0 0 123 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.793 109.5-126.0 -72.3 -27.9 3.1 -19.1 -1.4 28 292 A G T <5 + 0 0 59 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.903 62.5 128.0 78.3 45.6 6.3 -17.6 -2.8 29 293 A I E < +B 24 0B 96 -5,-2.0 -5,-2.9 2,-0.0 2,-0.3 -0.925 29.8 173.2-128.1 160.3 5.4 -13.9 -2.5 30 294 A S E -B 23 0B 69 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.962 5.2-176.2-155.4 156.4 6.9 -10.8 -1.0 31 295 A A E -B 22 0B 16 -9,-1.8 -10,-2.8 -2,-0.3 -9,-2.3 -0.982 22.0-116.4-156.1 153.2 5.9 -7.2 -1.0 32 296 A T E > -B 20 0B 21 -2,-0.3 4,-2.4 -12,-0.3 -12,-0.3 -0.336 32.4-102.6 -91.8 168.7 7.4 -3.9 0.3 33 297 A S H > S+ 0 0 12 -14,-2.6 4,-2.7 1,-0.2 5,-0.2 0.889 122.5 54.6 -55.2 -40.8 6.2 -1.4 2.9 34 298 A A H > S+ 0 0 17 -15,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 108.6 48.8 -64.6 -37.2 5.0 0.9 0.1 35 299 A Q H > S+ 0 0 100 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.935 113.7 45.4 -64.7 -48.0 2.9 -1.9 -1.4 36 300 A V H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.913 114.2 50.8 -61.9 -39.6 1.3 -2.8 1.9 37 301 A T H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 108.4 49.7 -68.3 -43.7 0.7 0.9 2.6 38 302 A A H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.909 110.2 51.7 -60.4 -42.8 -0.9 1.6 -0.7 39 303 A N H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.939 112.1 45.8 -60.9 -44.2 -3.2 -1.4 -0.1 40 304 A M H X S+ 0 0 32 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.902 111.3 52.4 -67.3 -40.2 -4.2 -0.1 3.3 41 305 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.922 109.1 48.7 -62.0 -42.2 -4.7 3.4 2.0 42 306 A R H X S+ 0 0 91 -4,-2.6 4,-2.7 14,-0.3 -2,-0.2 0.924 111.1 51.3 -63.1 -41.0 -7.0 2.2 -0.8 43 307 A K H X S+ 0 0 137 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.922 111.7 47.4 -59.2 -43.8 -8.9 0.1 1.8 44 308 A F H X S+ 0 0 17 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.932 112.0 48.0 -66.8 -46.5 -9.3 3.2 4.0 45 309 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 6,-0.6 0.902 111.3 52.4 -62.7 -40.3 -10.4 5.5 1.2 46 310 A E H ><5S+ 0 0 110 -4,-2.7 3,-1.5 4,-0.2 -2,-0.2 0.917 106.2 53.2 -60.0 -41.4 -12.9 2.8 0.1 47 311 A Q H 3<5S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.5 51.6 -69.1 -21.7 -14.4 2.6 3.7 48 312 A L T 3<5S- 0 0 19 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.518 115.2-120.2 -82.2 -9.4 -14.9 6.4 3.6 49 313 A G T < 5S+ 0 0 69 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.738 88.3 101.6 77.6 25.4 -16.7 6.0 0.3 50 314 A I < + 0 0 41 -5,-2.4 -4,-0.2 -6,-0.1 2,-0.1 0.304 37.0 137.9-127.5 8.9 -14.2 8.2 -1.6 51 315 A L - 0 0 70 -6,-0.6 -9,-0.0 -9,-0.1 -8,-0.0 -0.389 32.2-166.5 -62.4 134.8 -11.9 5.9 -3.5 52 316 A Q > - 0 0 102 -2,-0.1 3,-1.9 1,-0.0 -2,-0.1 -0.831 33.7-114.8-118.6 158.6 -11.1 7.1 -7.0 53 317 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.745 116.7 57.5 -67.2 -21.1 -9.5 5.3 -9.9 54 318 A T T 3 S+ 0 0 120 2,-0.0 2,-0.6 0, 0.0 -3,-0.0 0.521 83.3 109.9 -79.4 -9.6 -6.6 7.7 -9.7 55 319 A D < - 0 0 21 -3,-1.9 4,-0.1 1,-0.2 -13,-0.0 -0.599 41.9-178.7 -77.9 120.3 -5.9 6.8 -6.1 56 320 A T - 0 0 88 -2,-0.6 -14,-0.3 2,-0.3 -1,-0.2 0.743 52.7-111.8 -76.6 -22.7 -2.8 4.7 -5.5 57 321 A G S S+ 0 0 0 1,-0.4 2,-0.5 -16,-0.2 -13,-0.1 0.153 82.7 122.1 104.3 -15.0 -3.6 4.6 -1.7 58 322 A I + 0 0 51 1,-0.1 -1,-0.4 -17,-0.1 -2,-0.3 -0.731 36.9 179.6 -81.7 125.1 -0.7 6.8 -0.7 59 323 A T + 0 0 3 72,-2.0 10,-1.4 -2,-0.5 11,-0.5 0.358 24.8 134.8-115.2 2.3 -2.3 9.7 1.1 60 324 A N - 0 0 48 71,-0.6 146,-0.1 8,-0.2 3,-0.1 -0.270 50.3-129.1 -56.0 138.4 0.6 12.0 2.1 61 325 A A - 0 0 20 144,-0.4 84,-0.4 4,-0.1 7,-0.2 -0.531 40.4 -88.4 -72.7 152.3 0.4 15.8 1.6 62 326 A P > - 0 0 95 0, 0.0 3,-2.6 0, 0.0 5,-0.2 -0.413 67.2 -81.8 -58.1 138.3 3.3 17.4 -0.2 63 327 A A T 3 S+ 0 0 65 1,-0.3 83,-0.2 -3,-0.1 3,-0.1 -0.242 117.9 12.8 -57.8 122.3 5.6 18.3 2.7 64 328 A G T 3 S+ 0 0 52 81,-1.2 -1,-0.3 1,-0.4 2,-0.2 0.101 97.9 123.2 98.9 -18.6 4.5 21.6 4.3 65 329 A S < - 0 0 33 -3,-2.6 -1,-0.4 1,-0.1 -4,-0.1 -0.497 56.9-148.4 -75.3 145.8 1.1 21.6 2.6 66 330 A A S S+ 0 0 32 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.337 80.5 80.2 -87.3 2.0 -2.1 21.8 4.7 67 331 A Q + 0 0 136 -5,-0.2 2,-0.2 4,-0.0 -2,-0.1 -0.956 53.6 159.5-119.4 111.1 -3.9 19.7 2.0 68 332 A G - 0 0 37 -2,-0.5 -8,-0.2 2,-0.4 -7,-0.1 -0.598 54.7 -92.2-111.3-175.8 -3.5 16.0 1.8 69 333 A R S S+ 0 0 59 -10,-1.4 -9,-0.1 -2,-0.2 -10,-0.1 0.885 102.6 82.3 -67.3 -37.1 -5.7 13.2 0.2 70 334 A I S S- 0 0 17 -11,-0.5 -2,-0.4 1,-0.1 137,-0.3 -0.567 88.5-120.2 -76.2 121.1 -7.7 12.5 3.3 71 335 A P > - 0 0 42 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.283 18.5-119.8 -57.6 144.8 -10.5 15.1 3.6 72 336 A R G >> S+ 0 0 142 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.848 112.1 62.6 -51.6 -41.9 -10.5 17.2 6.8 73 337 A V G 34 S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.692 110.6 40.0 -61.6 -16.4 -13.9 15.9 7.8 74 338 A Y G <> S+ 0 0 82 -3,-2.1 4,-2.3 133,-0.1 -1,-0.3 0.353 88.9 95.3-109.1 4.0 -12.4 12.4 8.0 75 339 A G H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.4 5,-0.2 0.864 81.4 52.1 -68.6 -36.2 -9.1 13.3 9.5 76 340 A R H X S+ 0 0 160 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.934 111.2 49.1 -64.7 -42.4 -10.1 12.6 13.1 77 341 A Q H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.929 113.5 47.0 -58.4 -47.0 -11.3 9.1 12.1 78 342 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 112.7 48.7 -62.9 -46.9 -8.0 8.6 10.2 79 343 A S H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.914 110.5 50.3 -60.1 -43.7 -5.9 9.8 13.1 80 344 A E H X S+ 0 0 69 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.844 108.8 52.7 -66.3 -31.9 -7.7 7.6 15.6 81 345 A Y H X S+ 0 0 72 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.919 109.7 48.8 -66.0 -46.1 -7.2 4.6 13.4 82 346 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 113.6 46.3 -54.9 -48.1 -3.5 5.4 13.3 83 347 A I H X S+ 0 0 4 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.921 109.8 54.5 -64.4 -42.1 -3.4 5.7 17.1 84 348 A R H X S+ 0 0 146 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.926 108.7 49.3 -54.5 -49.1 -5.4 2.5 17.5 85 349 A R H < S+ 0 0 24 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.930 113.5 45.5 -56.6 -50.0 -2.8 0.7 15.4 86 350 A G H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.931 112.1 50.4 -58.6 -47.9 0.0 2.0 17.4 87 351 A M H >< S+ 0 0 74 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.799 99.2 66.4 -65.0 -27.8 -1.7 1.3 20.7 88 352 A S T 3< S+ 0 0 74 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.649 95.5 59.9 -66.0 -15.1 -2.4 -2.3 19.6 89 353 A Q T X S+ 0 0 26 -3,-1.8 3,-2.6 -4,-0.4 99,-0.3 0.340 70.7 134.3 -95.8 2.0 1.4 -2.8 19.7 90 354 A I T < S+ 0 0 78 -3,-1.6 99,-0.2 1,-0.3 91,-0.1 -0.318 73.8 24.9 -46.9 128.0 1.8 -2.0 23.4 91 355 A G T 3 S+ 0 0 36 97,-2.2 -1,-0.3 1,-0.4 98,-0.1 0.251 85.7 130.6 92.2 -10.6 4.0 -4.7 24.8 92 356 A V < - 0 0 31 -3,-2.6 96,-2.8 1,-0.1 -1,-0.4 -0.557 66.1-102.0 -70.7 139.0 5.8 -5.6 21.6 93 357 A P B -C 187 0C 56 0, 0.0 24,-1.9 0, 0.0 94,-0.3 -0.236 29.2-114.2 -63.2 147.5 9.6 -5.7 22.1 94 358 A Y B -d 117 0D 20 92,-2.5 91,-0.4 89,-0.3 2,-0.3 -0.570 34.8-179.2 -68.9 142.4 11.9 -2.9 21.1 95 359 A S > - 0 0 2 22,-1.6 3,-2.7 -2,-0.2 2,-0.2 -0.932 32.8-116.9-146.5 125.3 14.4 -3.8 18.3 96 360 A W T 3 S+ 0 0 33 -2,-0.3 12,-2.2 1,-0.3 15,-0.3 -0.426 104.8 4.9 -62.4 123.4 16.9 -1.3 16.9 97 361 A G T 3 S+ 0 0 2 10,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.529 102.6 144.7 78.9 3.0 16.0 -1.0 13.2 98 362 A G < + 0 0 0 -3,-2.7 20,-2.1 10,-0.1 23,-0.2 -0.506 27.3 45.3 -84.3 146.5 12.8 -3.1 13.6 99 363 A G - 0 0 4 7,-0.3 2,-0.3 18,-0.2 23,-0.1 -0.004 41.4-166.3 112.7 151.8 9.5 -2.8 12.0 100 364 A N B > -E 103 0E 13 3,-2.3 3,-1.2 21,-0.1 -79,-0.1 -0.858 52.5 -74.7-154.2-175.7 7.8 -2.1 8.6 101 365 A A T 3 S+ 0 0 0 -2,-0.3 -80,-0.1 1,-0.3 -69,-0.0 0.706 127.7 53.7 -66.1 -18.4 4.4 -1.2 7.3 102 366 A A T 3 S- 0 0 47 1,-0.3 -1,-0.3 -81,-0.1 -81,-0.0 0.573 122.1 -79.1 -88.3 -14.7 3.1 -4.8 8.1 103 367 A G B < S-E 100 0E 5 -3,-1.2 -3,-2.3 18,-0.1 -1,-0.3 -0.954 76.5 -16.7 145.4-168.4 4.2 -5.0 11.7 104 368 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.271 64.2 176.1 -67.2 159.2 7.3 -5.6 13.8 105 369 A S E -F 116 0F 25 11,-2.2 11,-2.3 9,-0.1 9,-0.1 -0.959 38.3 -65.2-154.2 166.1 10.3 -7.1 12.1 106 370 A K E -F 115 0F 119 -2,-0.3 -7,-0.3 9,-0.3 9,-0.2 -0.314 54.5-143.5 -50.5 140.9 13.9 -8.2 12.6 107 371 A G - 0 0 2 4,-2.4 2,-0.3 7,-1.1 -10,-0.3 -0.013 12.3-103.9 -94.1-159.4 16.2 -5.2 13.3 108 372 A I S > S- 0 0 59 -12,-2.2 3,-2.7 -2,-0.0 4,-0.1 -0.867 75.0 -10.9-128.7 163.9 19.7 -4.3 12.3 109 373 A D G > S+ 0 0 129 1,-0.3 3,-1.8 -2,-0.3 4,-0.2 -0.252 143.0 12.0 49.6-119.5 23.1 -4.3 14.0 110 374 A S G > S+ 0 0 93 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.857 134.6 50.7 -47.8 -43.0 22.1 -4.7 17.6 111 375 A G G X S+ 0 0 4 -3,-2.7 -4,-2.4 -15,-0.3 3,-1.6 0.249 73.8 112.0 -86.6 16.0 18.5 -5.7 16.7 112 376 A A G < S+ 0 0 45 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.723 83.7 39.6 -60.0 -26.2 19.4 -8.4 14.2 113 377 A G G < S+ 0 0 79 -3,-0.6 2,-0.5 -4,-0.2 -1,-0.3 0.232 103.5 80.1-108.0 11.7 18.1 -11.1 16.4 114 378 A T < - 0 0 60 -3,-1.6 -7,-1.1 -18,-0.1 2,-0.6 -0.985 64.0-147.8-127.6 125.8 15.0 -9.4 17.8 115 379 A V E +F 106 0F 92 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.3 -0.809 58.8 89.0 -84.7 122.0 11.7 -9.1 16.1 116 380 A G E -F 105 0F 0 -11,-2.3 -11,-2.2 -2,-0.6 2,-0.4 -0.938 69.6 -72.1-177.9-157.2 10.2 -5.8 17.2 117 381 A F B -d 94 0D 0 -24,-1.9 -22,-1.6 -2,-0.3 -18,-0.2 -0.969 21.4-156.9-123.8 147.4 9.9 -2.0 16.6 118 382 A D > - 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0 0 2 -5,-1.6 2,-0.5 -73,-0.2 -1,-0.3 -0.719 38.2-156.1 -81.2 107.1 0.6 7.7 5.0 133 397 A K - 0 0 97 -2,-0.8 -8,-0.1 -3,-0.1 -9,-0.0 -0.810 14.9-179.1 -91.1 123.6 3.9 6.4 3.8 134 398 A L - 0 0 13 -2,-0.5 2,-0.1 -10,-0.1 7,-0.1 -0.967 26.8-116.1-126.5 143.5 6.9 7.3 6.0 135 399 A P - 0 0 42 0, 0.0 2,-1.8 0, 0.0 6,-0.2 -0.395 33.0-109.5 -73.0 154.0 10.6 6.5 5.6 136 400 A H B S+A 15 0A 10 -121,-0.6 -121,-3.0 -119,-0.3 2,-0.2 -0.446 92.0 79.2 -87.8 68.3 12.3 4.3 8.2 137 401 A Y S > S- 0 0 39 -2,-1.8 4,-2.3 -123,-0.2 3,-0.4 -0.783 71.9-139.4-167.4 125.7 14.5 7.0 9.8 138 402 A S H > S+ 0 0 0 -125,-0.4 4,-1.8 1,-0.2 28,-0.1 0.866 103.2 55.6 -58.3 -38.2 13.3 9.6 12.3 139 403 A G H > S+ 0 0 6 27,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.881 109.6 45.7 -66.2 -35.9 15.3 12.4 10.7 140 404 A S H >4 S+ 0 0 46 -3,-0.4 3,-0.9 1,-0.2 4,-0.3 0.877 109.1 55.8 -75.3 -33.9 13.7 11.8 7.3 141 405 A Q H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.879 100.2 61.0 -59.7 -35.9 10.2 11.6 8.9 142 406 A Y H 3< S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.753 99.2 56.2 -66.6 -20.5 10.8 15.0 10.4 143 407 A N T << S+ 0 0 107 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.2 0.517 100.6 70.3 -91.8 -4.7 11.2 16.5 6.9 144 408 A L S < S+ 0 0 58 -3,-1.6 60,-0.1 -4,-0.3 -10,-0.0 -0.574 86.3 23.8-102.3 171.6 7.8 15.2 5.8 145 409 A G S S- 0 0 13 -84,-0.4 -81,-1.2 -2,-0.2 2,-0.4 -0.244 98.3 -54.3 71.5-164.8 4.3 16.5 6.9 146 410 A R E -G 204 0G 64 58,-2.3 58,-2.9 -83,-0.2 2,-0.1 -0.966 49.2-121.7-121.8 131.6 3.6 19.9 8.3 147 411 A K E -G 203 0G 79 -2,-0.4 56,-0.2 56,-0.2 -2,-0.0 -0.416 25.5-175.1 -75.2 138.8 5.3 21.5 11.2 148 412 A I E -G 202 0G 14 54,-2.6 54,-2.8 -2,-0.1 5,-0.1 -0.989 39.6 -98.4-125.7 135.6 3.2 22.6 14.3 149 413 A P E > -G 201 0G 61 0, 0.0 3,-2.3 0, 0.0 52,-0.3 -0.304 31.0-126.6 -53.7 139.2 4.9 24.5 17.2 150 414 A S G > S+ 0 0 18 50,-2.5 3,-1.6 1,-0.3 51,-0.1 0.836 109.5 63.6 -61.9 -29.4 5.6 21.9 19.9 151 415 A S G 3 S+ 0 0 103 49,-0.3 -1,-0.3 1,-0.3 50,-0.1 0.665 107.1 45.2 -64.0 -14.1 3.7 24.1 22.4 152 416 A Q G < S+ 0 0 132 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.160 80.3 149.9-118.2 19.2 0.6 23.4 20.3 153 417 A M < - 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K 0 178G 30 -15,-2.8 -16,-3.1 -2,-0.6 6,-0.2 -0.529 20.5-173.7 -70.7 133.3 1.5 12.4 21.0 173 437 A L E - 0 0 11 4,-3.0 -18,-0.2 1,-0.3 5,-0.2 0.413 41.4-112.4-104.4 -3.7 -1.7 11.0 22.6 174 438 A G E > S+ K 0 177G 11 3,-0.6 3,-1.6 -20,-0.1 -1,-0.3 -0.146 93.2 69.8 83.9 167.5 -2.8 14.2 24.2 175 439 A N T 3 S- 0 0 161 1,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.817 128.5 -65.0 53.8 36.0 -2.9 14.8 28.0 176 440 A G T 3 S+ 0 0 35 1,-0.2 17,-2.3 16,-0.1 2,-0.3 0.705 107.4 116.7 64.8 25.3 0.9 14.9 28.2 177 441 A Q E < -KL 174 192G 95 -3,-1.6 -4,-3.0 15,-0.3 -3,-0.6 -0.902 41.4-167.8-123.3 150.3 1.4 11.2 27.1 178 442 A M E -KL 172 191G 0 13,-2.8 13,-2.5 -2,-0.3 2,-0.5 -0.972 20.4-127.9-137.7 151.4 3.1 9.7 24.1 179 443 A L E +KL 171 190G 1 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.3 -0.872 43.0 160.4 -96.0 130.0 3.3 6.3 22.4 180 444 A E E - L 0 189G 1 9,-2.6 9,-2.5 -2,-0.5 -10,-0.1 -0.991 50.4-135.5-150.0 154.4 6.8 5.1 21.8 181 445 A A - 0 0 0 -12,-0.4 -12,-0.2 -2,-0.3 -62,-0.2 -0.970 44.1-178.6-102.6 104.8 9.2 2.3 21.1 182 446 A P - 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