==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 28-JAN-10 2X49 . COMPND 2 MOLECULE: INVASION PROTEIN INVA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR L.J.WORRALL,M.VUCKOVIC,N.C.J.STRYNADKA . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.7 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 . 3 0.9 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 0 0 3 2 1 2 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 3 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 . 1 0 3 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 1 353 A G 0 0 95 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.5 42.4 71.7 14.0 2 354 A S >> - 0 0 18 1,-0.0 4,-2.6 0, 0.0 3,-1.6 -0.785 360.0 -92.2-122.3 175.7 40.2 70.0 11.5 3 355 A H H 3> S+ 0 0 111 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.774 115.3 75.7 -57.6 -28.2 37.4 67.5 11.8 4 356 A M H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 141,-0.1 0.792 116.3 16.1 -58.3 -32.4 39.8 64.7 11.6 5 357 A T H X4 S+ 0 0 17 -3,-1.6 3,-1.1 38,-0.1 40,-0.4 0.772 122.4 61.4-101.8 -42.6 40.9 65.3 15.1 6 358 A E H 3< S+ 0 0 134 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.611 106.8 40.5 -73.0 -19.6 38.1 67.5 16.5 7 359 A T T 3< S+ 0 0 107 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.434 108.7 59.8-110.6 -1.1 35.2 65.1 16.1 8 360 A V < - 0 0 20 -3,-1.1 -1,-0.2 -5,-0.2 56,-0.1 -0.560 67.5-168.5-135.6 70.7 36.7 61.9 17.2 9 361 A P - 0 0 51 0, 0.0 55,-0.4 0, 0.0 56,-0.3 -0.179 21.0-124.7 -65.9 149.1 38.2 61.7 20.7 10 362 A L E -a 46 0A 4 35,-3.0 37,-2.7 53,-0.1 2,-0.4 -0.668 24.6-152.3 -83.2 146.7 40.4 58.9 21.9 11 363 A I E -aB 47 62A 4 51,-2.0 51,-2.9 -2,-0.3 2,-0.5 -0.988 8.9-164.2-126.5 130.2 39.2 57.1 25.1 12 364 A L E -aB 48 61A 1 35,-2.8 37,-2.3 -2,-0.4 2,-0.5 -0.980 11.8-150.6-109.0 118.4 41.3 55.4 27.7 13 365 A L E +aB 49 60A 8 47,-3.0 47,-2.3 -2,-0.5 37,-0.2 -0.818 27.8 176.3 -85.9 126.3 39.4 53.1 30.0 14 366 A V E -a 50 0A 0 35,-2.4 37,-2.7 -2,-0.5 2,-0.2 -0.849 36.0 -86.6-127.6 159.3 41.4 53.1 33.3 15 367 A P >> - 0 0 2 0, 0.0 3,-2.2 0, 0.0 4,-1.0 -0.530 28.8-132.1 -70.0 137.1 40.9 51.5 36.7 16 368 A K H >> S+ 0 0 152 35,-0.3 3,-0.7 1,-0.3 4,-0.5 0.879 109.1 60.5 -49.0 -39.0 38.8 53.6 39.1 17 369 A S H 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.583 111.8 36.7 -67.2 -16.5 41.6 52.9 41.6 18 370 A R H <> S+ 0 0 25 -3,-2.2 4,-2.1 2,-0.1 5,-0.2 0.445 89.1 95.9-112.5 -8.1 44.2 54.7 39.4 19 371 A R H S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 110.0 51.7 -64.8 -32.3 46.8 59.4 40.1 22 374 A L H <>S+ 0 0 5 -4,-2.1 5,-2.3 1,-0.2 4,-0.4 0.872 109.8 50.2 -78.6 -32.5 46.6 59.4 36.2 23 375 A E H ><5S+ 0 0 99 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 0.907 110.4 48.9 -62.5 -45.4 45.0 62.8 36.4 24 376 A K H 3<5S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 109.9 51.9 -65.2 -32.7 47.8 64.0 38.7 25 377 A A T 3<5S- 0 0 22 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.519 109.3-128.0 -80.5 -5.0 50.4 62.6 36.3 26 378 A Q T <>5 + 0 0 101 -3,-0.9 4,-3.0 -4,-0.4 5,-0.3 0.886 43.7 169.2 54.1 44.6 48.6 64.5 33.5 27 379 A L H > S+ 0 0 15 -6,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 116.2 43.5 -65.4 -43.1 46.1 62.7 28.8 29 381 A E H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 114.8 49.2 -72.7 -38.0 48.0 66.0 28.3 30 382 A R H X S+ 0 0 115 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.857 107.1 55.3 -74.3 -35.3 51.4 64.4 28.2 31 383 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.936 112.8 44.0 -57.0 -46.7 50.3 61.7 25.7 32 384 A R H X S+ 0 0 84 -4,-1.8 4,-1.7 -5,-0.2 11,-0.3 0.930 116.4 44.1 -70.0 -43.9 49.2 64.5 23.4 33 385 A S H X S+ 0 0 61 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.921 116.4 45.7 -70.3 -42.3 52.2 66.7 23.8 34 386 A Q H X S+ 0 0 75 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.865 109.2 54.8 -69.5 -35.2 54.8 64.0 23.6 35 387 A F H X>S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.3 5,-0.5 0.918 107.8 50.9 -66.2 -41.0 53.2 62.4 20.5 36 388 A F H X5S+ 0 0 52 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.917 113.1 45.6 -60.0 -43.4 53.4 65.7 18.8 37 389 A I H <5S+ 0 0 89 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 118.3 42.6 -62.4 -45.2 57.1 66.0 19.6 38 390 A D H <5S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.2 154,-0.2 0.788 131.9 16.6 -77.9 -34.4 57.8 62.4 18.6 39 391 A Y H <5S- 0 0 7 -4,-2.5 152,-2.5 2,-0.2 -3,-0.2 0.551 93.1-121.2-122.4 -16.2 55.8 62.2 15.4 40 392 A G S < - 0 0 11 -37,-2.7 3,-1.7 -2,-0.4 -35,-0.3 -0.786 14.1-120.7 -94.0 121.5 36.5 50.8 33.0 52 404 A E T 3 S+ 0 0 175 -2,-0.6 -1,-0.0 1,-0.2 -39,-0.0 -0.270 92.7 3.8 -55.3 130.1 34.1 48.3 34.6 53 405 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.2 0, 0.0 2,-0.2 0.428 87.9 148.6 75.4 -0.6 35.9 45.3 35.9 54 406 A L < - 0 0 31 -3,-1.7 -1,-0.2 -40,-0.2 -38,-0.2 -0.468 43.1-130.4 -66.5 135.7 39.5 46.4 35.2 55 407 A D > - 0 0 85 -2,-0.2 3,-1.0 1,-0.1 -1,-0.1 -0.113 37.4 -91.7 -72.0 177.3 42.2 45.2 37.6 56 408 A D T 3 S+ 0 0 87 1,-0.2 19,-0.2 -39,-0.1 -1,-0.1 0.555 121.8 46.4 -74.0 -5.0 44.6 47.8 39.0 57 409 A N T 3 S+ 0 0 30 17,-0.1 16,-1.8 18,-0.1 2,-0.4 -0.113 90.8 98.1-132.0 29.6 47.1 47.3 36.2 58 410 A S E < - C 0 72A 7 -3,-1.0 2,-0.3 14,-0.2 14,-0.2 -0.973 40.6-178.2-126.0 146.3 45.1 47.4 33.0 59 411 A I E - C 0 71A 0 12,-2.5 12,-3.1 -2,-0.4 2,-0.4 -0.991 10.5-155.0-139.1 137.1 44.2 50.1 30.4 60 412 A V E -BC 13 70A 1 -47,-2.3 -47,-3.0 -2,-0.3 2,-0.6 -0.974 5.8-150.3-115.9 134.1 42.0 49.9 27.3 61 413 A L E -BC 12 69A 1 8,-2.9 7,-2.8 -2,-0.4 8,-1.3 -0.878 11.9-168.0-100.2 124.7 42.4 52.1 24.3 62 414 A L E -BC 11 67A 10 -51,-2.9 -51,-2.0 -2,-0.6 2,-0.5 -0.923 6.1-172.9-110.9 130.5 39.2 52.9 22.3 63 415 A I E > S+ C 0 66A 4 3,-2.1 3,-1.6 -2,-0.5 -53,-0.1 -0.993 84.1 0.9-118.3 125.5 39.4 54.5 18.9 64 416 A N T 3 S- 0 0 75 -2,-0.5 -1,-0.1 -55,-0.4 3,-0.1 0.859 130.6 -66.2 62.1 31.6 36.0 55.4 17.5 65 417 A E T 3 S+ 0 0 150 -56,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.606 113.2 120.6 67.3 11.3 34.5 54.1 20.7 66 418 A I E < S-C 63 0A 111 -3,-1.6 -3,-2.1 1,-0.0 -1,-0.2 -0.890 73.4-109.3-106.3 134.2 35.7 50.7 19.7 67 419 A R E +C 62 0A 155 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.476 41.8 167.3 -62.6 126.8 38.2 48.6 21.7 68 420 A V E - 0 0 49 -7,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.739 61.7 -7.3-106.8 -45.3 41.5 48.5 19.9 69 421 A E E -C 61 0A 53 -8,-1.3 -8,-2.9 2,-0.0 2,-0.5 -0.987 49.7-145.3-155.6 146.5 43.9 47.2 22.5 70 422 A Q E -C 60 0A 86 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.978 25.2-161.3-113.4 127.8 44.1 46.3 26.1 71 423 A F E -C 59 0A 15 -12,-3.1 -12,-2.5 -2,-0.5 2,-0.5 -0.781 13.0-143.9-107.8 144.9 47.4 47.0 27.8 72 424 A T E +C 58 0A 28 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.957 23.9 173.6-108.0 119.8 48.9 45.7 31.0 73 425 A V - 0 0 0 -16,-1.8 2,-1.4 -2,-0.5 3,-0.1 -0.984 26.0-148.1-128.0 116.6 50.9 48.3 32.9 74 426 A Y > - 0 0 54 -2,-0.4 3,-2.4 1,-0.2 51,-0.2 -0.672 17.6-171.2 -86.7 89.9 52.3 47.4 36.4 75 427 A F T 3 S+ 0 0 32 -2,-1.4 50,-0.3 1,-0.3 51,-0.2 0.739 81.3 46.1 -55.8 -30.6 52.1 51.0 37.7 76 428 A D T 3 S+ 0 0 102 -3,-0.1 33,-0.3 49,-0.1 -1,-0.3 0.387 110.3 63.0 -96.8 1.6 54.0 50.2 40.9 77 429 A L S < S- 0 0 36 -3,-2.4 48,-0.6 31,-0.1 2,-0.4 -0.552 76.6-115.6-119.3-179.6 56.8 48.1 39.2 78 430 A M E -DE 107 124B 15 29,-2.5 29,-2.7 -2,-0.2 2,-0.4 -0.967 23.7-126.9-121.0 138.5 59.6 48.6 36.6 79 431 A R E -DE 106 123B 3 44,-2.9 44,-2.5 -2,-0.4 2,-0.9 -0.715 8.8-143.0 -91.3 133.5 59.9 47.0 33.2 80 432 A V E > - E 0 122B 1 25,-2.7 3,-1.0 -2,-0.4 25,-0.4 -0.796 17.9-172.7 -90.7 101.9 63.1 45.1 32.2 81 433 A V T 3 S+ 0 0 1 40,-2.1 205,-0.3 -2,-0.9 -1,-0.2 0.919 81.5 36.2 -66.4 -45.8 63.4 46.1 28.5 82 434 A N T 3 S+ 0 0 36 39,-0.7 -1,-0.3 203,-0.1 203,-0.1 -0.275 89.0 173.3-105.7 47.5 66.3 43.7 27.7 83 435 A Y < - 0 0 9 -3,-1.0 2,-0.3 201,-0.3 201,-0.2 -0.090 9.9-176.4 -52.8 143.7 65.2 40.8 29.9 84 436 A S > - 0 0 37 201,-0.0 3,-2.4 1,-0.0 4,-0.2 -0.973 40.3-112.7-140.1 161.4 66.9 37.5 29.9 85 437 A D T >> S+ 0 0 107 1,-0.3 3,-1.2 -2,-0.3 4,-0.8 0.640 106.5 83.0 -64.2 -17.7 66.2 34.2 31.7 86 438 A E H 3> S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.807 77.3 71.5 -55.4 -25.3 69.5 34.8 33.5 87 439 A V H X4>S+ 0 0 0 -3,-2.4 5,-1.3 1,-0.3 3,-0.9 0.872 92.7 52.6 -63.3 -38.2 67.3 37.0 35.8 88 440 A V H X45S+ 0 0 70 -3,-1.2 3,-1.5 1,-0.2 -1,-0.3 0.802 99.2 65.4 -70.2 -26.8 65.6 33.9 37.3 89 441 A S H 3<5S+ 0 0 104 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.764 95.9 58.3 -60.1 -26.5 69.1 32.5 38.1 90 442 A F T <<5S- 0 0 98 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.407 127.2 -99.2 -90.8 -1.0 69.6 35.3 40.4 91 443 A G T < 5S+ 0 0 61 -3,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.643 78.4 137.4 91.0 19.2 66.6 34.4 42.4 92 444 A I < - 0 0 10 -5,-1.3 -1,-0.3 19,-0.0 -2,-0.1 -0.837 39.1-160.7 -97.7 130.7 64.2 36.9 40.9 93 445 A N - 0 0 134 -2,-0.5 -5,-0.0 -3,-0.1 -6,-0.0 -0.911 22.1-153.9-104.4 101.0 60.6 35.9 40.0 94 446 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.302 18.5-114.0 -75.1 164.0 59.4 38.5 37.5 95 447 A T E -F 106 0B 49 11,-3.1 11,-3.0 -21,-0.0 2,-0.4 -0.862 41.5-159.3 -93.4 125.4 55.9 39.5 36.9 96 448 A I E -F 105 0B 86 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.953 18.3-178.2-121.0 128.6 55.2 38.4 33.3 97 449 A H E -F 104 0B 38 7,-2.3 7,-2.8 -2,-0.4 2,-0.4 -0.970 10.6-160.6-119.0 141.2 52.6 39.6 30.8 98 450 A Q E +F 103 0B 119 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.949 13.9 179.6-122.5 139.1 52.1 38.1 27.4 99 451 A Q E > S-F 102 0B 74 3,-2.8 3,-1.9 -2,-0.4 2,-0.4 -0.931 74.8 -42.3-135.2 109.4 50.4 39.5 24.3 100 452 A G T 3 S- 0 0 67 -2,-0.4 210,-0.1 1,-0.3 209,-0.0 -0.541 123.4 -30.8 66.8-124.9 50.6 37.2 21.3 101 453 A S T 3 S+ 0 0 17 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.410 116.7 106.3-103.0 4.7 54.2 36.0 21.4 102 454 A S E < - F 0 99B 8 -3,-1.9 -3,-2.8 184,-0.1 2,-0.4 -0.658 54.6-161.0 -82.2 135.6 55.5 39.2 22.9 103 455 A Q E - F 0 98B 47 -2,-0.4 2,-0.4 -5,-0.2 183,-0.3 -0.891 6.6-159.4-119.6 144.8 56.5 39.0 26.6 104 456 A Y E - F 0 97B 26 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.5 -0.995 6.7-157.0-126.9 132.6 56.9 41.7 29.1 105 457 A F E - F 0 96B 4 -25,-0.4 -25,-2.7 -2,-0.4 2,-0.4 -0.925 9.0-174.1-120.6 126.1 58.9 41.4 32.3 106 458 A W E +DF 79 95B 2 -11,-3.0 -11,-3.1 -2,-0.5 2,-0.3 -0.941 3.7 179.0-123.1 142.9 58.4 43.5 35.4 107 459 A V E -D 78 0B 2 -29,-2.7 -29,-2.5 -2,-0.4 2,-0.0 -0.845 34.3 -86.1-133.9 167.4 60.4 43.6 38.6 108 460 A T > - 0 0 59 -2,-0.3 4,-2.5 -31,-0.2 5,-0.2 -0.294 39.9-110.6 -68.1 164.7 60.4 45.5 41.9 109 461 A H H > S+ 0 0 108 -33,-0.3 4,-1.9 1,-0.2 5,-0.2 0.927 120.9 49.1 -61.3 -42.9 62.1 48.8 42.2 110 462 A E H > S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 112.2 48.1 -64.3 -40.5 64.7 47.2 44.5 111 463 A E H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.872 107.9 57.2 -68.1 -35.1 65.3 44.3 42.0 112 464 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.904 102.3 52.7 -61.4 -43.1 65.6 46.8 39.2 113 465 A E H X S+ 0 0 96 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.918 110.3 49.0 -65.6 -40.1 68.4 48.6 40.9 114 466 A K H >< S+ 0 0 122 -4,-1.6 3,-0.6 1,-0.2 4,-0.4 0.928 111.4 49.9 -59.4 -47.8 70.3 45.4 41.2 115 467 A L H ><>S+ 0 0 1 -4,-2.7 5,-1.9 1,-0.2 3,-1.5 0.868 102.0 61.0 -65.4 -34.7 69.6 44.6 37.6 116 468 A R H ><5S+ 0 0 100 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.860 97.2 59.8 -59.6 -33.5 70.8 47.9 36.3 117 469 A E T <<5S+ 0 0 158 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.679 103.5 51.7 -72.2 -16.4 74.3 47.2 37.8 118 470 A L T < 5S- 0 0 100 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.258 129.4 -98.5-103.6 2.9 74.4 44.2 35.6 119 471 A G T < 5S+ 0 0 50 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.574 72.5 146.1 92.8 11.4 73.6 46.3 32.6 120 472 A Y < - 0 0 18 -5,-1.9 2,-0.5 -8,-0.1 -1,-0.3 -0.453 45.1-129.5 -69.2 145.8 69.8 45.7 32.2 121 473 A V - 0 0 64 -2,-0.1 -40,-2.1 2,-0.0 -39,-0.7 -0.928 23.7-159.7-105.1 128.2 67.8 48.6 31.0 122 474 A L E -E 80 0B 19 -2,-0.5 2,-0.4 -42,-0.2 -42,-0.2 -0.816 7.9-162.6-111.9 148.1 64.7 49.6 32.9 123 475 A R E -E 79 0B 43 -44,-2.5 -44,-2.9 -2,-0.3 2,-0.0 -0.997 21.6-122.6-126.6 132.0 61.7 51.6 32.0 124 476 A N E > -E 78 0B 69 -2,-0.4 4,-2.1 -46,-0.2 5,-0.2 -0.302 30.1-109.4 -70.4 159.1 59.2 53.2 34.4 125 477 A A H > S+ 0 0 6 -48,-0.6 4,-2.2 -50,-0.3 5,-0.1 0.869 114.8 47.4 -63.8 -41.2 55.6 52.3 34.2 126 478 A L H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 112.1 52.8 -71.1 -31.1 54.2 55.6 32.8 127 479 A D H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 109.6 48.1 -69.5 -38.0 57.0 55.6 30.2 128 480 A E H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.915 110.0 52.4 -67.6 -39.9 56.1 52.1 29.1 129 481 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.941 108.9 50.1 -65.9 -42.3 52.4 53.1 28.9 130 482 A Y H X S+ 0 0 39 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.937 110.9 49.5 -60.0 -46.0 53.2 56.0 26.7 131 483 A H H X S+ 0 0 41 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.947 111.0 49.1 -59.2 -47.2 55.3 53.8 24.4 132 484 A C H X S+ 0 0 12 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.932 115.0 44.6 -55.1 -50.4 52.5 51.2 24.1 133 485 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.926 112.6 51.2 -64.0 -43.5 50.0 53.9 23.3 134 486 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.908 108.7 50.3 -62.8 -44.2 52.2 55.7 20.8 135 487 A V H X S+ 0 0 2 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.928 114.8 44.2 -59.3 -42.6 53.0 52.5 18.9 136 488 A T H X S+ 0 0 4 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.893 113.7 49.3 -74.5 -38.1 49.4 51.7 18.6 137 489 A L H < S+ 0 0 0 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.888 107.5 54.8 -69.7 -38.9 48.3 55.2 17.7 138 490 A A H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.929 107.7 50.4 -56.6 -47.8 51.0 55.5 15.0 139 491 A R H 3< S+ 0 0 64 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.822 112.1 47.7 -59.4 -30.9 49.7 52.3 13.3 140 492 A N T >< S+ 0 0 40 -4,-1.0 3,-2.4 -3,-0.3 4,-0.3 0.060 73.4 129.9-103.5 23.7 46.2 53.8 13.4 141 493 A V G X> + 0 0 0 -3,-1.6 3,-1.8 1,-0.3 4,-1.1 0.793 60.1 67.8 -52.3 -34.3 47.2 57.1 12.0 142 494 A N G 34 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.654 88.7 68.5 -66.1 -13.2 44.5 57.1 9.3 143 495 A E G <4 S+ 0 0 77 -3,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 0.746 119.4 14.2 -75.5 -22.9 41.9 57.5 12.1 144 496 A Y T <4 S+ 0 0 3 -3,-1.8 2,-0.4 -4,-0.3 -2,-0.2 0.227 116.0 68.6-138.8 6.6 43.0 61.0 13.0 145 497 A F < + 0 0 3 -4,-1.1 2,-0.2 -141,-0.1 -1,-0.1 -0.987 53.3 118.4-140.9 130.8 45.2 62.3 10.1 146 498 A G S > S- 0 0 9 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.693 70.3 -37.2-157.8-148.3 44.5 63.3 6.5 147 499 A I H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.834 125.2 54.5 -65.4 -37.1 44.5 66.0 3.8 148 500 A Q H > S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 112.1 44.4 -65.0 -42.6 43.4 68.8 6.1 149 501 A E H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 114.5 49.9 -67.4 -41.5 46.2 68.1 8.5 150 502 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.933 108.3 52.1 -61.3 -43.1 48.7 67.8 5.6 151 503 A K H X S+ 0 0 88 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.875 108.6 51.9 -65.1 -32.5 47.5 71.0 4.0 152 504 A H H X S+ 0 0 103 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.904 109.5 48.7 -68.7 -42.5 48.1 72.8 7.3 153 505 A M H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.881 111.2 50.0 -65.5 -37.7 51.6 71.4 7.5 154 506 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.893 109.9 51.3 -68.9 -37.8 52.3 72.5 4.0 155 507 A D H X S+ 0 0 72 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.890 109.3 49.7 -66.6 -38.7 51.0 76.0 4.7 156 508 A Q H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.5 46.9 -65.4 -40.2 53.2 76.3 7.7 157 509 A L H >X S+ 0 0 7 -4,-1.8 4,-3.2 1,-0.2 3,-1.7 0.847 105.4 59.3 -72.0 -32.8 56.1 75.2 5.7 158 510 A E H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 94.9 63.7 -67.4 -30.7 55.3 77.5 2.9 159 511 A A T 3< S+ 0 0 86 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.621 117.9 28.3 -67.6 -14.2 55.6 80.4 5.2 160 512 A K T <4 S+ 0 0 136 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.2 0.709 134.2 24.3-118.4 -36.4 59.2 79.4 5.6 161 513 A F X + 0 0 70 -4,-3.2 4,-1.9 1,-0.1 3,-0.4 -0.564 64.6 165.0-134.8 67.6 60.3 77.8 2.3 162 514 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.829 75.6 49.8 -62.3 -32.6 57.9 79.0 -0.4 163 515 A D H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.854 108.2 53.4 -78.3 -30.1 60.0 77.9 -3.4 164 516 A L H > S+ 0 0 32 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.944 111.0 45.6 -68.0 -43.1 60.4 74.4 -2.0 165 517 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.934 109.8 56.5 -66.6 -42.1 56.6 74.0 -1.6 166 518 A K H X S+ 0 0 129 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.915 110.0 45.0 -53.0 -46.9 56.1 75.5 -5.1 167 519 A E H >< S+ 0 0 76 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.894 111.6 50.7 -69.8 -42.5 58.3 72.8 -6.6 168 520 A V H >X S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-1.4 0.933 107.2 53.7 -60.5 -41.7 56.9 69.9 -4.7 169 521 A L H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.587 97.8 65.1 -75.2 -14.8 53.3 70.8 -5.6 170 522 A R T << S+ 0 0 174 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.651 116.0 29.0 -74.1 -18.9 54.2 70.8 -9.3 171 523 A H T <4 S+ 0 0 53 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.492 125.3 34.8-121.0 -15.6 54.9 67.1 -9.1 172 524 A A S < S- 0 0 7 -4,-1.4 -1,-0.3 4,-0.0 2,-0.1 -0.989 71.9-131.0-145.5 136.2 52.6 65.8 -6.3 173 525 A T > - 0 0 90 -2,-0.3 4,-2.6 -3,-0.1 3,-0.2 -0.439 33.1-105.5 -80.3 164.8 49.1 66.8 -5.2 174 526 A V H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 123.6 54.4 -55.6 -39.9 48.1 67.5 -1.7 175 527 A Q H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 108.2 47.8 -60.9 -42.3 46.4 64.1 -1.7 176 528 A R H > S+ 0 0 68 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.926 111.5 49.8 -68.2 -41.0 49.6 62.3 -2.8 177 529 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.924 109.5 52.4 -61.8 -41.5 51.6 64.1 -0.1 178 530 A S H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.928 108.2 51.9 -64.7 -41.4 49.1 63.1 2.5 179 531 A E H X S+ 0 0 55 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.916 108.4 50.2 -60.0 -44.9 49.3 59.5 1.4 180 532 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.958 111.9 48.1 -56.3 -48.8 53.1 59.6 1.7 181 533 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 110.7 50.0 -63.7 -45.7 52.9 61.0 5.2 182 534 A Q H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.888 110.0 51.6 -58.8 -40.7 50.3 58.5 6.4 183 535 A R H < S+ 0 0 109 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.851 111.1 47.5 -69.8 -31.2 52.4 55.7 5.1 184 536 A L H ><>S+ 0 0 0 -4,-2.1 5,-1.9 -5,-0.2 3,-1.6 0.981 115.1 44.8 -69.2 -51.2 55.5 57.0 7.0 185 537 A L H ><5S+ 0 0 2 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.835 104.4 62.1 -64.1 -34.5 53.6 57.4 10.3 186 538 A S T 3<5S+ 0 0 37 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.668 106.1 47.8 -70.1 -16.1 51.9 54.1 10.0 187 539 A E T < 5S- 0 0 25 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.045 126.7-101.1-109.4 18.2 55.3 52.5 10.2 188 540 A R T < 5S+ 0 0 4 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.761 75.5 142.2 71.2 25.1 56.4 54.6 13.1 189 541 A V < - 0 0 5 -5,-1.9 -1,-0.3 -8,-0.1 -2,-0.1 -0.870 49.6-124.1 -95.6 125.2 58.5 57.1 11.1 190 542 A S - 0 0 28 -2,-0.5 -150,-0.2 35,-0.2 3,-0.2 -0.429 14.8-161.8 -69.3 147.1 58.2 60.7 12.3 191 543 A V + 0 0 1 -152,-2.5 3,-0.2 1,-0.1 -151,-0.2 0.106 61.7 109.3-110.7 15.3 57.1 63.5 10.0 192 544 A R + 0 0 125 1,-0.2 2,-1.8 -154,-0.2 3,-0.3 0.869 68.0 65.9 -56.1 -39.4 58.5 66.3 12.2 193 545 A N > + 0 0 50 1,-0.2 4,-1.7 -3,-0.2 -1,-0.2 -0.505 62.0 157.9 -87.6 69.0 61.2 67.0 9.7 194 546 A M H > + 0 0 18 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.834 65.6 61.4 -64.4 -31.4 58.9 68.2 7.0 195 547 A K H > S+ 0 0 82 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.930 107.5 44.0 -65.4 -44.4 61.6 70.2 5.3 196 548 A L H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 112.0 52.4 -68.3 -34.8 63.6 67.1 4.6 197 549 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.926 110.8 48.1 -66.1 -45.7 60.6 65.1 3.6 198 550 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.868 107.8 54.4 -63.3 -39.4 59.7 67.9 1.1 199 551 A E H X S+ 0 0 87 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.912 110.1 48.4 -61.5 -37.9 63.2 68.0 -0.3 200 552 A A H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.899 110.2 50.6 -72.6 -31.5 63.0 64.3 -0.9 201 553 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.897 106.0 55.5 -70.1 -37.0 59.6 64.6 -2.6 202 554 A A H < S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 114.3 42.3 -65.3 -29.4 61.0 67.4 -4.9 203 555 A L H < S+ 0 0 120 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.887 127.9 25.4 -79.7 -43.5 63.7 64.9 -5.9 204 556 A W H >X S+ 0 0 81 -4,-2.4 4,-2.0 1,-0.1 3,-1.1 0.797 103.8 71.8-100.5 -33.6 61.6 61.8 -6.3 205 557 A A T 3< S+ 0 0 1 -4,-2.6 -3,-0.1 -5,-0.3 -1,-0.1 0.810 91.8 60.5 -60.8 -34.0 58.0 62.8 -7.1 206 558 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.834 118.0 30.1 -59.0 -33.6 58.8 64.0 -10.6 207 559 A R T <4 S+ 0 0 221 -3,-1.1 2,-0.5 -4,-0.2 -2,-0.2 0.630 113.6 58.8-100.7 -22.4 60.0 60.5 -11.5 208 560 A E < + 0 0 46 -4,-2.0 -1,-0.2 1,-0.1 -4,-0.0 -0.943 45.4 167.3-123.0 113.5 58.0 58.1 -9.4 209 561 A K + 0 0 119 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.1 0.434 53.9 93.2-103.5 -8.1 54.2 58.1 -9.7 210 562 A D > - 0 0 27 1,-0.1 4,-2.6 48,-0.1 5,-0.2 -0.788 69.6-146.4 -90.7 122.9 53.5 54.9 -7.8 211 563 A V H > S+ 0 0 22 -2,-0.6 4,-2.2 1,-0.2 5,-0.1 0.849 92.7 50.3 -65.1 -34.2 52.8 55.7 -4.2 212 564 A I H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 114.0 45.1 -67.9 -49.5 54.3 52.6 -2.6 213 565 A N H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.916 111.7 53.4 -58.7 -46.8 57.5 52.9 -4.6 214 566 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 105.2 54.3 -56.7 -46.2 57.7 56.6 -3.8 215 567 A V H X S+ 0 0 7 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.913 103.8 55.8 -56.3 -39.7 57.4 56.0 -0.1 216 568 A E H X S+ 0 0 21 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.864 108.1 47.9 -62.4 -40.2 60.3 53.7 -0.2 217 569 A H H X S+ 0 0 63 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.2 0.886 110.8 50.9 -66.4 -39.4 62.5 56.4 -1.7 218 570 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.936 107.6 53.3 -63.6 -43.5 61.3 58.9 0.9 219 571 A R H < S+ 0 0 1 -4,-2.9 7,-0.2 1,-0.2 -1,-0.2 0.923 108.2 52.2 -57.1 -44.1 62.2 56.4 3.7 220 572 A G H >< S+ 0 0 43 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.2 0.908 107.4 49.8 -59.4 -41.8 65.6 56.2 2.1 221 573 A A H 3< S+ 0 0 57 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.849 113.7 47.8 -64.5 -31.1 66.1 59.9 2.1 222 574 A M T >X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 3,-1.0 0.213 75.5 123.0 -95.5 11.0 65.1 60.0 5.8 223 575 A A H <> S+ 0 0 19 -3,-1.3 4,-2.8 1,-0.3 5,-0.3 0.860 70.3 51.7 -46.7 -47.1 67.3 57.1 6.8 224 576 A R H 3> S+ 0 0 137 -3,-0.3 4,-2.2 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