==== 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 PROTEIN TRANSPORT 12-APR-10 3MIX . COMPND 2 MOLECULE: FLAGELLAR BIOSYNTHESIS PROTEIN FLHA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.BANGE,N.KUEMMERER,G.BOZKURT,K.WILD,I.SINNING . 313 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 2 0 1 3 0 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 1 318 A E > 0 0 212 0, 0.0 4,-0.8 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -47.7 29.7 27.1 27.5 2 319 A I H > + 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.728 360.0 61.3 -78.3 -25.4 26.8 29.2 29.1 3 320 A L H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.828 98.0 58.6 -64.0 -36.1 25.4 26.0 30.4 4 321 A E H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.900 109.3 43.5 -56.1 -44.5 28.6 25.7 32.3 5 322 A E H X S+ 0 0 90 -4,-0.8 4,-4.5 2,-0.2 5,-0.4 0.926 111.3 53.1 -69.0 -47.6 27.8 29.0 33.9 6 323 A E H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 6,-0.3 0.906 114.3 43.6 -51.0 -48.0 24.1 28.1 34.5 7 324 A A H < S+ 0 0 20 -4,-2.8 5,-0.2 2,-0.2 -2,-0.2 0.921 120.1 41.1 -64.1 -46.2 25.3 24.9 36.3 8 325 A E H < S+ 0 0 162 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.891 116.4 47.8 -74.6 -40.8 28.1 26.8 38.3 9 326 A V H < S+ 0 0 75 -4,-4.5 -3,-0.2 -5,-0.1 -2,-0.2 0.977 116.8 47.8 -59.6 -56.7 26.0 29.9 39.1 10 327 A D S < S- 0 0 78 -4,-2.2 -3,-0.0 -5,-0.4 0, 0.0 0.005 100.9-102.3 -73.0-174.5 23.1 27.7 40.2 11 328 A E + 0 0 130 6,-0.0 2,-0.3 2,-0.0 3,-0.3 0.369 59.7 150.9 -94.2 4.4 23.3 24.7 42.6 12 329 A L + 0 0 29 -6,-0.3 -2,-0.0 -5,-0.2 6,-0.0 -0.127 25.0 114.1 -51.8 98.9 23.1 21.9 40.0 13 330 A K + 0 0 129 -2,-0.3 -1,-0.2 -5,-0.0 -6,-0.0 0.607 48.7 77.4-134.8 -41.8 25.1 19.1 41.5 14 331 A S S > S- 0 0 28 -3,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.339 87.7-107.7 -77.9 158.9 22.9 16.1 42.4 15 332 A P H > S+ 0 0 105 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.864 117.9 54.5 -50.2 -38.1 21.6 13.6 39.7 16 333 A E H 4 S+ 0 0 143 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.815 112.4 38.8 -72.1 -33.8 18.1 15.1 40.0 17 334 A S H >4 S+ 0 0 22 -3,-0.5 3,-0.6 1,-0.2 4,-0.4 0.659 103.5 68.6 -94.4 -17.4 19.0 18.7 39.3 18 335 A V H >< S+ 0 0 56 -4,-1.7 3,-1.5 1,-0.2 4,-0.4 0.824 86.4 69.3 -69.0 -30.3 21.6 18.1 36.6 19 336 A V G >< S+ 0 0 79 -4,-0.9 3,-2.4 1,-0.3 -1,-0.2 0.846 87.4 67.0 -53.0 -34.7 18.9 16.8 34.2 20 337 A Q G < S+ 0 0 122 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.785 87.4 67.0 -64.8 -25.7 17.6 20.4 34.0 21 338 A L G < S+ 0 0 36 -3,-1.5 2,-1.2 -4,-0.4 -1,-0.3 0.720 82.7 85.6 -58.6 -24.2 20.9 21.3 32.3 22 339 A L S < S- 0 0 123 -3,-2.4 2,-0.7 -4,-0.4 -1,-0.1 -0.725 71.3-164.7 -85.7 97.3 19.5 19.1 29.4 23 340 A H + 0 0 21 -2,-1.2 -2,-0.1 1,-0.1 -3,-0.1 -0.748 26.3 154.8 -87.9 115.9 17.4 21.7 27.5 24 341 A I + 0 0 148 -2,-0.7 -1,-0.1 3,-0.1 63,-0.0 0.393 25.1 129.2-122.6 1.8 15.1 19.9 25.1 25 342 A D - 0 0 48 1,-0.1 63,-0.6 62,-0.1 62,-0.4 -0.279 60.8-131.4 -58.3 136.6 12.3 22.6 24.8 26 343 A P S S+ 0 0 37 0, 0.0 61,-2.7 0, 0.0 2,-0.4 0.880 90.2 19.0 -60.3 -37.3 11.5 23.3 21.2 27 344 A I E -A 86 0A 0 41,-0.5 43,-3.1 59,-0.2 2,-0.4 -0.982 67.2-179.3-141.4 125.2 11.6 27.1 21.7 28 345 A E E -Ab 85 70A 0 57,-2.4 57,-3.2 -2,-0.4 2,-0.5 -0.988 9.6-166.7-127.7 130.6 13.2 29.1 24.5 29 346 A F E -Ab 84 71A 2 41,-3.3 43,-2.1 -2,-0.4 2,-0.4 -0.977 15.9-174.4-115.8 118.0 13.3 32.8 25.0 30 347 A E E +Ab 83 72A 1 53,-3.0 53,-3.4 -2,-0.5 2,-0.3 -0.913 3.9 177.4-117.8 140.4 15.8 33.9 27.6 31 348 A F E -Ab 82 73A 8 41,-1.8 43,-4.0 -2,-0.4 51,-0.2 -0.961 27.7-114.1-142.3 153.1 16.4 37.4 29.0 32 349 A G > - 0 0 0 49,-2.7 3,-1.7 46,-0.4 43,-0.1 -0.277 49.1 -91.7 -76.9 174.8 18.4 39.4 31.6 33 350 A Y G > S+ 0 0 163 44,-0.4 3,-1.5 1,-0.3 47,-0.1 0.752 121.0 67.0 -67.7 -26.4 16.8 41.0 34.6 34 351 A G G 3 S+ 0 0 17 45,-0.8 -1,-0.3 1,-0.3 46,-0.2 0.720 96.1 57.8 -61.6 -22.6 16.3 44.4 32.8 35 352 A L G <> S+ 0 0 1 -3,-1.7 4,-1.2 44,-0.8 -1,-0.3 0.231 74.6 101.5 -97.6 14.6 13.8 42.6 30.5 36 353 A I H <> S+ 0 0 58 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.879 71.7 62.3 -63.8 -41.1 11.5 41.5 33.3 37 354 A P H > S+ 0 0 54 0, 0.0 4,-0.8 0, 0.0 6,-0.2 0.891 107.8 42.3 -56.0 -41.9 8.9 44.3 32.7 38 355 A L H 4 S+ 0 0 16 1,-0.2 9,-2.0 7,-0.2 10,-0.3 0.833 116.2 50.6 -72.6 -29.7 8.0 43.1 29.2 39 356 A A H < S+ 0 0 12 -4,-1.2 9,-0.3 7,-0.1 -1,-0.2 0.819 104.1 54.8 -75.4 -33.0 8.0 39.4 30.3 40 357 A D H < - 0 0 73 -4,-2.1 5,-0.2 3,-0.1 -2,-0.1 0.929 68.0-164.8 -80.2 -50.9 5.7 39.5 33.3 41 358 A A S < S+ 0 0 53 3,-2.0 4,-0.2 -4,-0.8 3,-0.1 0.551 75.9 80.3 78.1 9.8 2.3 41.1 32.3 42 359 A N S S+ 0 0 124 2,-0.4 3,-0.1 -5,-0.1 -1,-0.1 0.460 102.2 41.0-109.9 -20.3 1.0 41.7 35.8 43 360 A Q S S- 0 0 109 1,-0.8 -2,-0.1 -6,-0.2 -3,-0.1 -0.359 135.2 -96.7-107.4 44.7 3.3 44.8 35.7 44 361 A G + 0 0 46 1,-0.1 -3,-2.0 -3,-0.1 -1,-0.8 -0.233 68.7 145.6 62.1-162.9 2.1 45.3 32.1 45 362 A G - 0 0 30 -4,-0.2 3,-0.3 -5,-0.2 4,-0.2 0.459 42.0-136.8 97.0 123.0 4.5 43.9 29.5 46 363 A D > + 0 0 77 1,-0.2 4,-2.6 2,-0.1 3,-0.2 0.429 65.0 108.8 -96.4 -4.9 3.4 42.4 26.3 47 364 A L H > S+ 0 0 2 -9,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.799 80.6 45.2 -52.9 -53.8 5.5 39.2 25.7 48 365 A L H > S+ 0 0 90 -10,-0.3 4,-2.0 -9,-0.3 -1,-0.2 0.919 117.9 44.2 -54.5 -51.8 2.9 36.4 26.2 49 366 A D H > S+ 0 0 114 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 112.3 54.5 -63.4 -36.4 0.2 38.2 24.1 50 367 A R H X S+ 0 0 53 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.868 106.7 50.2 -65.8 -34.7 2.9 39.0 21.6 51 368 A I H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 107.0 54.8 -69.0 -40.7 3.8 35.3 21.3 52 369 A V H X S+ 0 0 51 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 107.8 50.3 -55.0 -47.3 0.1 34.4 20.8 53 370 A M H X S+ 0 0 105 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.908 109.6 50.3 -55.4 -49.6 0.0 36.8 17.9 54 371 A I H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.938 108.8 51.6 -56.7 -47.5 3.1 35.3 16.3 55 372 A R H X S+ 0 0 58 -4,-2.7 4,-1.6 1,-0.2 11,-0.2 0.882 112.9 46.3 -60.2 -39.0 1.6 31.8 16.7 56 373 A R H X S+ 0 0 141 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.948 113.9 47.0 -68.8 -48.7 -1.6 33.0 14.9 57 374 A Q H X S+ 0 0 86 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.925 115.0 44.7 -55.6 -49.7 0.3 34.8 12.1 58 375 A L H X>S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 6,-0.9 0.789 108.2 57.3 -74.7 -29.7 2.7 32.0 11.3 59 376 A A H X5S+ 0 0 24 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.909 113.7 40.6 -59.6 -43.3 -0.1 29.4 11.4 60 377 A L H <5S+ 0 0 116 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.838 123.4 38.6 -77.9 -35.1 -1.9 31.3 8.7 61 378 A E H <5S+ 0 0 82 -4,-2.5 116,-0.2 -5,-0.2 -2,-0.2 0.864 134.4 19.0 -82.7 -35.6 1.2 32.1 6.7 62 379 A L H <5S- 0 0 15 -4,-2.8 114,-3.2 2,-0.3 -3,-0.2 0.720 90.4-124.6-108.0 -25.8 3.1 28.9 7.1 63 380 A G S < - 0 0 8 -43,-4.0 3,-1.3 -2,-0.2 -41,-0.1 -0.935 18.6-165.7-133.1 112.3 18.8 34.4 32.8 75 392 A I T 3 S+ 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 -42,-0.1 0.728 87.9 69.3 -66.2 -26.4 21.3 36.0 35.1 76 393 A A T 3 S+ 0 0 25 -74,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.766 91.9 77.9 -60.8 -25.6 24.2 35.0 32.9 77 394 A L S < S- 0 0 28 -3,-1.3 -44,-0.4 -46,-0.2 -46,-0.1 -0.514 94.9 -96.4 -88.4 155.2 22.9 37.6 30.3 78 395 A Q > - 0 0 126 -2,-0.2 3,-2.3 -46,-0.1 -46,-0.4 -0.291 42.8-101.8 -63.4 151.1 23.3 41.3 30.5 79 396 A P T 3 S+ 0 0 40 0, 0.0 -45,-0.8 0, 0.0 -44,-0.8 0.864 123.6 35.2 -39.7 -51.7 20.4 43.3 32.0 80 397 A N T 3 S+ 0 0 52 -46,-0.2 16,-2.4 -47,-0.1 2,-0.3 0.356 97.7 115.5 -88.1 3.6 19.1 44.4 28.6 81 398 A E E < - C 0 95A 54 -3,-2.3 -49,-2.7 14,-0.2 2,-0.3 -0.558 38.9-176.6 -87.2 135.8 20.0 41.1 26.8 82 399 A Y E -AC 31 94A 8 12,-2.7 12,-2.7 -2,-0.3 2,-0.3 -0.930 3.9-167.0-121.4 158.2 17.6 38.6 25.3 83 400 A R E -AC 30 93A 21 -53,-3.4 -53,-3.0 -2,-0.3 2,-0.4 -0.997 6.8-153.9-142.7 138.7 18.4 35.3 23.6 84 401 A L E -AC 29 92A 2 8,-3.1 7,-3.0 -2,-0.3 8,-1.4 -0.970 11.0-173.1-118.3 130.7 16.3 32.9 21.4 85 402 A K E -AC 28 90A 8 -57,-3.2 -57,-2.4 -2,-0.4 2,-0.4 -0.940 6.4-165.0-120.5 142.7 16.9 29.1 21.2 86 403 A I E > S-AC 27 89A 0 3,-2.6 3,-1.7 -2,-0.4 -59,-0.2 -0.982 77.0 -16.7-127.8 118.4 15.2 26.6 18.9 87 404 A K T 3 S- 0 0 93 -61,-2.7 -60,-0.1 -2,-0.4 -1,-0.1 0.875 132.7 -46.4 60.1 37.2 15.5 22.9 19.5 88 405 A G T 3 S+ 0 0 28 -63,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.240 117.3 105.1 93.7 -13.1 18.5 23.5 21.9 89 406 A N E < S-C 86 0A 101 -3,-1.7 -3,-2.6 2,-0.0 2,-0.3 -0.853 72.1-119.8-108.9 137.7 20.5 25.9 19.7 90 407 A E E +C 85 0A 74 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.552 36.4 166.8 -66.4 126.9 20.9 29.7 20.0 91 408 A V E + 0 0 22 -7,-3.0 2,-0.3 1,-0.4 -6,-0.2 0.476 61.8 14.0-118.7 -12.8 19.5 31.3 16.9 92 409 A A E -C 84 0A 9 -8,-1.4 -8,-3.1 2,-0.0 -1,-0.4 -0.974 52.3-178.4-161.4 146.1 19.3 34.9 18.0 93 410 A K E +C 83 0A 141 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.975 17.9 149.7-142.1 158.2 20.4 37.3 20.6 94 411 A G E -C 82 0A 3 -12,-2.7 -12,-2.7 -2,-0.3 2,-0.3 -0.934 33.3-113.2-166.1-174.0 19.7 41.0 21.1 95 412 A E E -C 81 0A 129 -2,-0.3 2,-0.4 -14,-0.3 -14,-0.2 -0.997 20.1-162.4-142.1 139.3 19.3 43.9 23.5 96 413 A L - 0 0 8 -16,-2.4 2,-0.6 -2,-0.3 3,-0.1 -0.969 15.4-158.4-127.5 142.6 16.3 46.1 24.4 97 414 A L > - 0 0 95 -2,-0.4 3,-2.4 1,-0.1 -62,-0.1 -0.903 16.0-164.8-114.6 96.8 15.9 49.5 26.1 98 415 A L T 3 S+ 0 0 54 -2,-0.6 12,-0.1 1,-0.3 -1,-0.1 0.768 85.5 52.7 -58.5 -33.7 12.3 49.3 27.3 99 416 A D T 3 S+ 0 0 140 -3,-0.1 -1,-0.3 9,-0.1 2,-0.1 0.336 109.2 67.3 -83.4 7.2 12.0 53.0 27.9 100 417 A H < - 0 0 107 -3,-2.4 2,-0.3 2,-0.0 -4,-0.0 -0.421 67.8-133.3-119.6-172.8 13.2 53.7 24.4 101 418 A Y - 0 0 171 7,-0.2 2,-0.5 -2,-0.1 7,-0.2 -0.981 17.5-126.4-145.3 152.8 12.3 53.5 20.7 102 419 A L B D 107 0B 106 5,-2.9 5,-2.4 -2,-0.3 -2,-0.0 -0.899 360.0 360.0-110.2 122.7 14.2 52.3 17.5 103 420 A A 0 0 119 -2,-0.5 3,-0.3 3,-0.2 -2,-0.0 -0.729 360.0 360.0 -93.5 360.0 14.5 54.6 14.5 104 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 105 461 A T 0 0 161 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.9 10.3 54.8 11.0 106 462 A V - 0 0 108 -3,-0.3 2,-0.4 -5,-0.0 -3,-0.2 -0.909 360.0-177.6-117.8 125.5 9.8 54.3 14.8 107 463 A V B -D 102 0B 45 -5,-2.4 -5,-2.9 -2,-0.5 5,-0.0 -0.966 21.0-133.6-126.6 129.3 9.4 50.9 16.6 108 464 A D >> - 0 0 60 -2,-0.4 4,-1.8 -7,-0.2 3,-0.7 -0.411 32.7-108.8 -76.0 158.2 8.9 50.2 20.3 109 465 A P H 3> S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 115.7 55.7 -63.4 -38.9 11.0 47.4 21.9 110 466 A A H 3> S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 5,-0.0 0.845 110.1 48.9 -62.1 -33.8 8.4 44.8 22.3 111 467 A S H <> S+ 0 0 28 -3,-0.7 4,-2.4 2,-0.2 5,-0.3 0.861 107.4 54.6 -71.1 -40.2 7.8 45.1 18.5 112 468 A V H X S+ 0 0 32 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.945 113.0 41.8 -56.7 -49.4 11.5 44.8 17.8 113 469 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.855 112.3 57.4 -69.1 -33.2 11.7 41.5 19.7 114 470 A S H X S+ 0 0 9 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.3 39.1 -60.5 -51.4 8.4 40.4 18.2 115 471 A T H X S+ 0 0 81 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.862 114.8 55.1 -73.9 -33.6 9.6 40.7 14.6 116 472 A H H X S+ 0 0 51 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.921 111.6 44.2 -59.0 -43.8 13.0 39.3 15.5 117 473 A I H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.945 114.8 48.6 -65.7 -48.2 11.4 36.2 17.0 118 474 A T H X S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.882 111.9 48.3 -61.7 -41.9 9.0 35.8 14.1 119 475 A E H X S+ 0 0 97 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.863 113.1 48.8 -64.5 -37.9 11.8 36.2 11.5 120 476 A K H X S+ 0 0 39 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.892 110.0 49.8 -72.1 -38.1 13.9 33.7 13.4 121 477 A I H X S+ 0 0 0 -4,-2.6 4,-0.5 2,-0.2 3,-0.3 0.887 110.1 52.7 -63.0 -38.6 11.1 31.1 13.7 122 478 A K H >< S+ 0 0 52 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.905 107.7 50.4 -63.6 -40.7 10.5 31.6 9.9 123 479 A Q H 3< S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.756 123.1 32.0 -67.7 -24.9 14.2 30.9 9.2 124 480 A H H >X S+ 0 0 26 -4,-1.1 3,-2.1 -3,-0.3 4,-0.5 0.211 80.2 117.3-118.4 13.5 14.0 27.7 11.4 125 481 A A H XX S+ 0 0 1 -3,-0.8 3,-1.3 -4,-0.5 4,-0.8 0.797 72.9 61.0 -53.2 -35.1 10.4 26.6 10.8 126 482 A H H 34 S+ 0 0 50 1,-0.3 -1,-0.3 -4,-0.3 3,-0.2 0.749 100.3 54.8 -68.6 -23.5 11.5 23.4 9.2 127 483 A E H <4 S+ 0 0 63 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.606 107.3 52.6 -78.0 -15.6 13.2 22.5 12.5 128 484 A L H << S+ 0 0 0 -3,-1.3 2,-2.1 -4,-0.5 -2,-0.2 0.513 76.0 94.2-103.8 -9.3 9.9 23.0 14.3 129 485 A I < + 0 0 4 -4,-0.8 38,-0.2 -3,-0.2 -1,-0.1 -0.510 63.1 163.2 -79.3 71.3 7.5 20.7 12.3 130 486 A G > - 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0 0 0 -5,-2.5 2,-0.1 4,-0.0 34,-0.0 -0.817 69.7-146.0-106.9 126.9 3.5 6.4 4.7 158 514 A S > - 0 0 45 -2,-0.5 4,-1.9 -5,-0.2 5,-0.2 -0.366 34.6-107.1 -72.8 162.5 4.5 6.7 8.4 159 515 A V H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.913 123.9 56.8 -51.3 -40.3 3.9 9.9 10.4 160 516 A G H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 103.5 51.2 -63.3 -40.0 7.7 10.2 10.2 161 517 A D H > S+ 0 0 36 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 112.2 46.3 -60.8 -45.2 7.7 10.1 6.4 162 518 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.924 107.6 57.6 -64.2 -46.4 5.0 12.8 6.2 163 519 A Q H X S+ 0 0 56 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.868 105.3 50.9 -47.7 -48.8 6.9 14.9 8.8 164 520 A K H X S+ 0 0 112 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.870 109.7 49.7 -61.1 -40.9 10.0 14.9 6.5 165 521 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.962 112.9 47.1 -61.8 -48.2 8.0 16.1 3.5 166 522 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.887 112.7 49.2 -60.1 -40.2 6.5 18.9 5.5 167 523 A A H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.875 109.8 51.3 -66.7 -39.5 9.9 19.9 6.9 168 524 A K H X S+ 0 0 20 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.878 110.8 48.9 -66.9 -37.5 11.3 19.9 3.4 169 525 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.7 0.966 113.7 45.6 -59.9 -53.6 8.5 22.2 2.2 170 526 A L H ><5S+ 0 0 3 -4,-2.6 3,-2.1 1,-0.2 -44,-0.2 0.867 104.1 64.2 -59.5 -38.2 9.0 24.6 5.1 171 527 A K H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 108.3 39.9 -52.9 -42.7 12.7 24.6 4.6 172 528 A E T <<5S- 0 0 20 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.182 122.4-105.2 -95.5 15.7 12.2 26.2 1.2 173 529 A K T < 5 + 0 0 80 -3,-2.1 2,-0.7 1,-0.3 -3,-0.2 0.758 69.2 149.3 74.0 24.3 9.4 28.5 2.5 174 530 A V < - 0 0 3 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.839 48.7-124.5 -91.0 116.5 6.6 26.6 0.8 175 531 A S - 0 0 21 -2,-0.7 3,-0.3 1,-0.1 -112,-0.2 -0.290 11.2-152.4 -56.1 144.2 3.6 27.0 3.0 176 532 A I + 0 0 1 -114,-3.2 -113,-0.2 1,-0.1 -1,-0.1 0.044 65.2 109.8-107.2 23.3 1.9 23.7 4.2 177 533 A R + 0 0 136 1,-0.2 2,-2.0 -116,-0.2 3,-0.2 0.821 62.3 73.4 -60.3 -35.2 -1.6 25.3 4.6 178 534 A N > + 0 0 59 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 -0.516 57.0 157.5 -86.3 73.7 -2.9 23.3 1.6 179 535 A L H > + 0 0 18 -2,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.812 66.3 60.1 -68.6 -33.0 -3.0 20.0 3.4 180 536 A V H > S+ 0 0 32 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.956 109.0 40.8 -59.0 -54.6 -5.6 18.5 1.0 181 537 A T H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 114.5 53.7 -63.8 -44.2 -3.4 18.9 -2.0 182 538 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.944 113.8 41.9 -51.9 -53.0 -0.3 17.8 -0.1 183 539 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.823 110.4 55.4 -68.8 -33.1 -2.1 14.6 1.0 184 540 A E H X S+ 0 0 107 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.905 111.2 47.1 -64.1 -39.5 -3.7 13.9 -2.4 185 541 A T H X S+ 0 0 14 -4,-2.2 4,-1.5 1,-0.2 5,-0.3 0.934 112.2 48.9 -66.7 -44.3 -0.2 14.0 -3.9 186 542 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.869 111.3 50.5 -61.5 -39.0 1.1 11.7 -1.1 187 543 A A H < S+ 0 0 11 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.914 111.1 49.2 -63.5 -41.3 -1.8 9.3 -1.8 188 544 A D H < S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.713 127.1 23.1 -71.8 -26.2 -1.1 9.3 -5.5 189 545 A Y H >X S+ 0 0 72 -4,-1.5 3,-2.2 -5,-0.1 4,-1.6 0.659 95.6 90.2-115.9 -22.3 2.7 8.6 -5.1 190 546 A G T 3< S+ 0 0 2 -4,-2.9 -3,-0.1 -5,-0.3 -2,-0.1 0.705 89.9 51.0 -52.9 -28.3 3.1 7.0 -1.7 191 547 A K T 34 S+ 0 0 133 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.643 111.7 47.5 -84.2 -15.6 2.7 3.5 -3.1 192 548 A L T <4 S+ 0 0 139 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.687 129.1 0.9 -95.2 -24.9 5.3 4.1 -5.8 193 549 A T < - 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