==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 26-OCT-11 4A5P . COMPND 2 MOLECULE: PROTEIN MXIA; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR P.ABRUSCI,M.VEGARA-IRIGARAY,S.JOHNSON,P.ROVERSI,M.E.FRIEDE,J . 897 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 9.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 54 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 0 0 0 9 2 1 7 5 0 2 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 1 4 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 PARALLEL BRIDGES PER LADDER . 5 4 2 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 5 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 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 1 357 A S 0 0 108 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 141.9 -30.3 -37.7 41.0 2 358 A S + 0 0 62 2,-0.1 2,-0.3 1,-0.1 0, 0.0 0.822 360.0 44.1 -70.3 -35.7 -27.5 -36.0 43.0 3 359 A E S S- 0 0 58 473,-0.1 473,-0.1 474,-0.0 -1,-0.1 -0.889 91.3-108.6-116.0 145.1 -30.1 -34.0 45.1 4 360 A T - 0 0 24 -2,-0.3 55,-0.1 471,-0.3 -2,-0.1 -0.332 42.5 -94.3 -68.9 149.4 -33.3 -35.3 46.8 5 361 A V - 0 0 44 1,-0.1 55,-0.9 -4,-0.1 54,-0.6 -0.534 32.6-148.3 -67.3 120.2 -36.8 -34.2 45.4 6 362 A P S S+ 0 0 50 0, 0.0 53,-1.1 0, 0.0 2,-0.4 0.890 77.5 20.0 -59.9 -47.4 -37.9 -31.1 47.4 7 363 A L E +A 58 0A 0 33,-0.5 35,-2.3 51,-0.2 2,-0.4 -0.995 62.8 172.5-134.6 127.7 -41.7 -31.7 47.3 8 364 A I E -Ab 57 42A 4 49,-2.0 49,-2.9 -2,-0.4 2,-0.5 -0.999 11.8-163.9-133.1 128.3 -43.6 -35.0 46.6 9 365 A L E -Ab 56 43A 1 33,-3.2 35,-1.9 -2,-0.4 2,-0.4 -0.945 9.2-156.5-118.1 108.4 -47.4 -35.5 46.9 10 366 A L E -Ab 55 44A 41 45,-2.6 45,-1.8 -2,-0.5 35,-0.2 -0.732 18.0-178.7 -85.7 127.4 -48.7 -39.1 47.0 11 367 A F E - b 0 45A 8 33,-2.7 35,-2.4 -2,-0.4 38,-0.2 -0.638 33.4 -73.7-119.0 175.0 -52.3 -39.6 46.0 12 368 A A E - b 0 46A 14 39,-0.2 2,-1.9 33,-0.2 35,-0.2 -0.412 48.3-106.6 -70.9 145.9 -54.8 -42.5 45.6 13 369 A E 0 0 131 33,-1.0 -1,-0.1 36,-0.4 38,-0.1 -0.550 360.0 360.0 -76.3 80.4 -54.4 -45.1 42.8 14 370 A N 0 0 162 -2,-1.9 -1,-0.2 2,-0.1 31,-0.0 0.541 360.0 360.0-129.1 360.0 -57.4 -43.8 40.7 15 ! 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 16 374 A A > 0 0 105 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 166.0 -57.0 -36.9 35.3 17 375 A N T > + 0 0 155 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.324 360.0 93.8 -78.3 8.4 -54.4 -34.3 34.3 18 376 A D T 3> + 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.633 68.1 76.1 -72.5 -16.7 -56.4 -31.7 36.4 19 377 A M H <> S+ 0 0 42 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.799 89.7 54.8 -63.2 -34.5 -54.0 -32.6 39.3 20 378 A E H <> S+ 0 0 94 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.802 106.3 51.3 -69.5 -32.3 -51.3 -30.5 37.6 21 379 A G H > S+ 0 0 28 -4,-0.5 4,-1.6 -3,-0.2 -2,-0.2 0.875 109.8 50.3 -69.9 -39.7 -53.7 -27.5 37.6 22 380 A L H X S+ 0 0 8 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.891 109.8 50.1 -63.5 -45.8 -54.3 -28.1 41.4 23 381 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.905 113.5 45.3 -60.8 -46.4 -50.5 -28.1 42.1 24 382 A E H X S+ 0 0 73 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.781 110.9 53.5 -70.7 -29.3 -49.9 -24.8 40.2 25 383 A R H X S+ 0 0 119 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.854 111.5 46.0 -71.1 -36.5 -53.0 -23.2 41.9 26 384 A I H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.912 113.3 49.4 -69.2 -46.2 -51.5 -24.1 45.3 27 385 A R H X S+ 0 0 59 -4,-2.3 4,-0.7 1,-0.2 11,-0.4 0.841 114.8 44.9 -61.0 -39.1 -48.0 -22.9 44.2 28 386 A S H >X S+ 0 0 66 -4,-1.8 4,-1.1 2,-0.2 3,-0.5 0.903 112.7 49.5 -73.1 -45.1 -49.6 -19.5 42.9 29 387 A Q H 3X S+ 0 0 71 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.816 105.1 58.5 -64.4 -34.8 -51.8 -19.0 46.1 30 388 A F H 3X>S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.9 0.794 107.5 47.5 -65.4 -30.5 -48.8 -19.6 48.4 31 389 A F H <<5S+ 0 0 62 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.746 113.4 48.1 -79.9 -27.6 -47.0 -16.7 46.7 32 390 A I H <5S+ 0 0 77 -4,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.907 121.4 35.6 -76.2 -43.7 -50.2 -14.5 47.0 33 391 A D H <5S+ 0 0 42 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.778 142.4 6.0 -80.5 -34.5 -50.7 -15.4 50.7 34 392 A Y T <5S- 0 0 13 -4,-2.0 128,-3.1 -5,-0.2 129,-0.3 0.618 88.4-122.7-126.4 -24.5 -47.0 -15.6 51.9 35 393 A G < + 0 0 2 -5,-0.9 2,-0.4 1,-0.2 -4,-0.2 0.840 63.9 133.1 81.0 36.7 -44.7 -14.5 48.9 36 394 A V - 0 0 2 -6,-0.6 2,-1.1 -9,-0.1 -1,-0.2 -0.987 54.8-137.2-124.1 121.5 -42.6 -17.7 48.7 37 395 A R - 0 0 193 -2,-0.4 -9,-0.1 83,-0.1 -10,-0.1 -0.692 29.2-148.3 -79.4 97.7 -41.9 -19.3 45.3 38 396 A L - 0 0 5 -2,-1.1 3,-0.1 -11,-0.4 2,-0.1 -0.326 18.7-103.4 -65.0 150.2 -42.4 -23.0 46.2 39 397 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.388 52.2 -79.6 -72.8 156.4 -40.4 -25.8 44.4 40 398 A T - 0 0 95 1,-0.1 -33,-0.5 -2,-0.1 2,-0.3 -0.398 50.5-132.0 -60.5 119.6 -42.2 -27.8 41.7 41 399 A I - 0 0 9 -2,-0.2 2,-0.4 -35,-0.1 -33,-0.2 -0.636 13.0-133.0 -80.2 132.4 -44.3 -30.5 43.5 42 400 A L E -b 8 0A 59 -35,-2.3 -33,-3.2 -2,-0.3 2,-0.5 -0.755 14.4-143.7 -89.2 126.1 -44.0 -34.1 42.1 43 401 A Y E +b 9 0A 78 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.809 28.6 165.1 -94.1 126.9 -47.4 -36.0 41.6 44 402 A R E -b 10 0A 136 -35,-1.9 -33,-2.7 -2,-0.5 2,-0.4 -0.958 25.9-139.9-140.0 155.8 -47.4 -39.7 42.4 45 403 A T E -b 11 0A 75 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.951 14.0-168.4-121.3 139.5 -50.0 -42.5 43.0 46 404 A S E -b 12 0A 17 -35,-2.4 -33,-1.0 -2,-0.4 3,-0.2 -0.990 21.6-157.0-130.6 136.6 -49.9 -45.3 45.6 47 405 A N S S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.2 -35,-0.1 0.648 95.6 65.0 -80.7 -18.9 -52.0 -48.5 45.9 48 406 A E S S+ 0 0 147 2,-0.0 -1,-0.2 -36,-0.0 2,-0.2 0.751 90.4 80.4 -73.3 -30.0 -51.2 -48.6 49.7 49 407 A L S S- 0 0 36 -3,-0.2 -36,-0.4 -38,-0.2 -38,-0.0 -0.510 83.7-112.4 -83.1 150.5 -53.1 -45.3 50.3 50 408 A X - 0 0 161 -2,-0.2 3,-0.1 -38,-0.1 -4,-0.1 -0.166 33.5 -99.1 -73.6 171.1 -56.9 -44.9 50.8 51 409 A V S S+ 0 0 110 1,-0.2 -39,-0.2 -39,-0.1 -1,-0.1 0.700 125.9 34.5 -64.8 -22.4 -59.2 -43.1 48.3 52 410 A D S S+ 0 0 7 17,-0.1 16,-2.0 -41,-0.1 -1,-0.2 0.575 95.1 106.5-107.9 -16.9 -59.1 -40.0 50.7 53 411 A D E + C 0 67A 27 14,-0.2 2,-0.3 -3,-0.1 14,-0.2 -0.489 40.4 177.8 -74.8 133.3 -55.5 -40.2 51.9 54 412 A I E - C 0 66A 3 12,-2.0 12,-3.1 -2,-0.2 2,-0.4 -0.997 10.6-159.9-133.6 127.4 -52.8 -37.7 50.6 55 413 A V E -AC 10 65A 3 -45,-1.8 -45,-2.6 -2,-0.3 2,-0.4 -0.959 5.7-149.1-118.0 128.6 -49.2 -37.8 52.0 56 414 A L E -AC 9 64A 0 8,-3.1 7,-2.6 -2,-0.4 8,-1.2 -0.818 11.5-163.7 -95.6 129.9 -46.7 -34.8 51.7 57 415 A L E -AC 8 62A 29 -49,-2.9 -49,-2.0 -2,-0.4 2,-0.6 -0.970 5.2-167.5-120.6 118.9 -43.0 -35.7 51.4 58 416 A I E > S-AC 7 61A 0 3,-1.9 3,-0.7 -2,-0.5 -51,-0.2 -0.945 82.3 -8.2-108.4 117.0 -40.3 -33.0 52.0 59 417 A N T 3 S- 0 0 17 -53,-1.1 -1,-0.2 -54,-0.6 -52,-0.1 0.877 129.3 -59.2 60.5 46.5 -36.8 -34.2 50.8 60 418 A E T 3 S+ 0 0 81 -55,-0.9 2,-0.4 -3,-0.3 -1,-0.2 0.651 117.0 112.8 57.9 25.8 -38.1 -37.7 50.1 61 419 A V E < S-C 58 0A 13 -3,-0.7 -3,-1.9 0, 0.0 -1,-0.2 -0.976 77.7-103.7-125.8 135.4 -39.1 -38.1 53.8 62 420 A R E +C 57 0A 127 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.383 46.1 162.1 -60.3 127.1 -42.8 -38.3 55.1 63 421 A A E - 0 0 30 -7,-2.6 2,-0.3 1,-0.4 -6,-0.2 0.747 57.3 -2.3-115.3 -49.6 -43.9 -34.9 56.7 64 422 A D E -C 56 0A 37 -8,-1.2 -8,-3.1 2,-0.0 -1,-0.4 -0.995 52.3-145.1-152.0 149.2 -47.7 -34.8 56.9 65 423 A S E -C 55 0A 51 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.905 18.3-164.7-115.6 142.0 -50.8 -36.9 56.0 66 424 A F E -C 54 0A 1 -12,-3.1 -12,-2.0 -2,-0.3 2,-0.5 -0.919 17.7-151.4-129.3 153.5 -54.2 -35.5 54.9 67 425 A N E +C 53 0A 41 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.903 33.7 158.0-125.6 94.0 -57.9 -36.7 54.5 68 426 A I - 0 0 3 -16,-2.0 2,-0.7 -2,-0.5 -2,-0.1 -0.984 32.8-152.2-125.6 134.0 -59.6 -34.8 51.7 69 427 A Y > - 0 0 53 -2,-0.4 3,-1.6 1,-0.1 -17,-0.1 -0.907 8.0-168.7-105.3 100.2 -62.7 -35.8 49.7 70 428 A F T 3 S+ 0 0 77 -2,-0.7 26,-0.2 1,-0.3 27,-0.1 0.638 86.7 53.8 -65.2 -17.8 -62.4 -34.0 46.2 71 429 A D T 3 S+ 0 0 124 25,-0.1 20,-0.6 2,-0.0 -1,-0.3 0.311 106.6 65.2 -98.7 6.2 -66.0 -34.9 45.3 72 430 A X E < S-D 90 0B 96 -3,-1.6 2,-0.4 18,-0.2 24,-0.3 -0.726 71.4-130.1-125.3 172.4 -67.5 -33.3 48.5 73 431 A V E -D 89 0B 43 16,-2.7 16,-1.8 -2,-0.2 2,-0.3 -0.990 21.4-158.5-126.0 131.9 -67.8 -29.9 50.3 74 432 A C E DE 88 94B 0 20,-1.7 20,-2.7 -2,-0.4 14,-0.2 -0.792 360.0 360.0-112.4 154.9 -66.9 -29.3 54.0 75 433 A I 0 0 110 12,-1.5 12,-0.9 -2,-0.3 -2,-0.0 -0.981 360.0 360.0-122.2 360.0 -67.9 -26.6 56.5 76 ! 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 77 448 A V 0 0 114 0, 0.0 11,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.3 -67.9 -38.1 57.5 78 449 A S E +F 87 0C 96 9,-0.2 2,-0.3 7,-0.0 9,-0.2 -0.966 360.0 168.7-125.5 139.7 -65.6 -36.4 60.1 79 450 A T E -F 86 0C 24 7,-2.1 7,-2.5 -2,-0.4 2,-0.4 -0.920 19.6-138.2-140.9 161.0 -61.7 -35.9 60.1 80 451 A S E -F 85 0C 72 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 11.7-173.7-132.3 142.9 -59.3 -33.8 62.2 81 452 A Y E > S-F 84 0C 30 3,-2.4 3,-1.4 -2,-0.4 -15,-0.0 -0.997 78.5 -4.1-135.6 125.8 -56.1 -31.7 61.5 82 453 A N T 3 S- 0 0 54 -2,-0.4 196,-0.2 1,-0.3 -1,-0.1 0.896 128.7 -59.2 55.4 48.7 -53.9 -30.1 64.2 83 454 A E T 3 S+ 0 0 106 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.369 115.5 117.8 63.3 3.2 -56.3 -31.3 67.0 84 455 A R E < -F 81 0C 70 -3,-1.4 -3,-2.4 167,-0.0 -1,-0.2 -0.871 59.2-138.3-102.4 124.3 -59.2 -29.3 65.3 85 456 A V E -F 80 0C 118 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.489 21.1-179.2 -83.2 150.3 -62.2 -31.3 64.0 86 457 A I E -F 79 0C 33 -7,-2.5 -7,-2.1 -2,-0.2 2,-0.4 -0.966 15.9-139.0-145.7 151.7 -64.0 -30.7 60.6 87 458 A S E -F 78 0C 65 -12,-0.9 -12,-1.5 -2,-0.3 2,-0.3 -0.972 9.3-152.3-123.4 134.7 -67.0 -32.4 58.9 88 459 A W E +D 74 0B 12 -11,-3.1 2,-0.3 -2,-0.4 -14,-0.2 -0.757 15.1 178.2-102.7 147.9 -67.5 -33.3 55.1 89 460 A V E -D 73 0B 84 -16,-1.8 -16,-2.7 -2,-0.3 -2,-0.0 -0.948 34.0 -86.2-145.6 159.3 -70.8 -33.6 53.2 90 461 A D E D 72 0B 111 -2,-0.3 -18,-0.2 -18,-0.2 -19,-0.0 -0.264 360.0 360.0 -66.7 153.3 -72.0 -34.4 49.6 91 462 A V 0 0 133 -20,-0.6 -1,-0.1 -2,-0.0 -19,-0.1 0.826 360.0 360.0 -65.4 360.0 -72.3 -31.6 46.9 92 ! 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 93 475 A I 0 0 177 0, 0.0 2,-0.4 0, 0.0 -18,-0.2 0.000 360.0 360.0 360.0 148.0 -68.9 -23.3 53.3 94 476 A X B -E 74 0B 83 -20,-2.7 -20,-1.7 4,-0.0 5,-0.0 -0.998 360.0-124.3-133.4 130.7 -65.4 -24.4 52.2 95 477 A S > - 0 0 49 -2,-0.4 4,-2.0 -22,-0.2 5,-0.2 -0.219 21.5-119.0 -67.6 158.6 -64.3 -26.0 48.9 96 478 A A H > S+ 0 0 6 -24,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.892 115.4 39.3 -65.6 -44.8 -62.4 -29.4 48.7 97 479 A Q H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.765 115.9 52.7 -77.3 -28.9 -59.4 -27.9 47.0 98 480 A D H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.839 111.8 44.1 -75.9 -36.3 -59.5 -24.7 49.1 99 481 A E H X S+ 0 0 14 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.815 111.3 54.5 -77.0 -32.5 -59.5 -26.6 52.5 100 482 A F H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.863 107.0 51.8 -65.9 -38.3 -56.8 -29.0 51.2 101 483 A Y H X S+ 0 0 19 -4,-1.3 4,-3.3 2,-0.2 5,-0.2 0.893 106.7 53.7 -63.1 -43.8 -54.6 -25.9 50.4 102 484 A H H X S+ 0 0 90 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.872 114.0 41.4 -58.5 -43.1 -55.2 -24.6 54.0 103 485 A Q H X S+ 0 0 7 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.863 118.6 45.7 -73.5 -40.4 -54.0 -27.9 55.6 104 486 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.916 110.9 51.4 -70.0 -47.0 -51.0 -28.3 53.1 105 487 A S H X S+ 0 0 3 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.835 108.7 52.6 -59.4 -37.5 -49.8 -24.6 53.3 106 488 A Q H X S+ 0 0 20 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.2 0.884 108.8 49.5 -65.3 -41.6 -49.7 -24.9 57.2 107 489 A A H < S+ 0 0 0 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.803 109.4 52.7 -66.7 -33.4 -47.6 -28.1 57.0 108 490 A L H < S+ 0 0 0 -4,-1.6 3,-0.3 2,-0.2 -1,-0.2 0.817 108.2 49.7 -72.6 -34.2 -45.1 -26.3 54.5 109 491 A L H >< S+ 0 0 3 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.783 104.8 58.3 -74.5 -29.2 -44.7 -23.3 57.0 110 492 A N T 3< S+ 0 0 30 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.674 118.6 32.4 -71.1 -20.0 -44.0 -25.8 59.8 111 493 A N T > S+ 0 0 29 -4,-0.5 3,-1.0 -3,-0.3 4,-0.3 -0.253 78.8 129.1-129.2 40.3 -41.1 -27.1 57.7 112 494 A I G X> + 0 0 0 -3,-1.1 4,-3.2 1,-0.2 3,-0.6 0.707 64.7 68.6 -69.9 -22.3 -40.1 -23.7 55.9 113 495 A N G 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.719 101.1 47.4 -68.8 -23.4 -36.4 -24.2 56.9 114 496 A E G <4 S+ 0 0 30 -3,-1.0 -1,-0.2 -6,-0.2 -2,-0.2 0.506 123.5 32.2 -94.0 -10.8 -36.3 -27.2 54.4 115 497 A I T <4 S+ 0 0 9 -3,-0.6 2,-0.5 -4,-0.3 -2,-0.2 0.765 119.4 45.4-110.8 -51.2 -38.0 -25.2 51.6 116 498 A F S < S+ 0 0 8 -4,-3.2 -1,-0.3 -5,-0.1 2,-0.2 -0.895 72.5 141.3-105.0 123.0 -36.9 -21.5 52.1 117 499 A G > - 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0 0 63 -4,-3.4 -1,-0.2 1,-0.1 -4,-0.0 -0.905 48.5-179.1-112.2 135.6 -30.0 -4.5 68.0 180 562 A X + 0 0 164 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.641 59.1 95.7-102.4 -22.1 -27.6 -7.5 67.4 181 563 A D > - 0 0 65 1,-0.1 4,-1.5 2,-0.0 5,-0.1 -0.607 61.1-155.1 -75.7 127.6 -30.0 -10.3 68.5 182 564 A V H > S+ 0 0 5 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.875 94.8 53.9 -68.4 -41.4 -31.9 -11.9 65.6 183 565 A I H > S+ 0 0 22 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.883 112.8 43.3 -61.6 -42.4 -34.8 -13.1 67.8 184 566 A T H > S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.807 110.2 57.8 -72.4 -32.6 -35.3 -9.4 69.1 185 567 A L H X S+ 0 0 1 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.857 103.8 51.3 -66.2 -37.7 -34.9 -8.1 65.5 186 568 A V H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.870 104.6 58.5 -66.2 -38.8 -37.9 -10.3 64.3 187 569 A E H X S+ 0 0 19 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.826 105.0 49.8 -59.1 -37.2 -40.0 -8.8 67.2 188 570 A H H X S+ 0 0 43 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.823 107.6 53.4 -70.9 -35.3 -39.3 -5.3 65.8 189 571 A V H X S+ 0 0 1 -4,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.858 107.0 53.0 -67.0 -37.6 -40.4 -6.4 62.2 190 572 A R H < S+ 0 0 1 -4,-1.9 7,-0.2 1,-0.2 -1,-0.2 0.839 105.1 54.5 -65.0 -37.9 -43.7 -7.7 63.8 191 573 A A H >< S+ 0 0 40 -4,-1.2 3,-0.7 1,-0.2 -1,-0.2 0.820 110.0 45.9 -65.9 -34.9 -44.3 -4.3 65.4 192 574 A S H 3< S+ 0 0 45 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.635 112.7 51.6 -81.5 -17.3 -44.0 -2.6 61.9 193 575 A L T 3X S+ 0 0 7 -4,-0.8 4,-2.2 1,-0.2 3,-0.3 0.052 74.6 117.5-104.3 20.5 -46.3 -5.4 60.5 194 576 A S H <> S+ 0 0 22 -3,-0.7 4,-1.8 1,-0.2 94,-0.4 0.791 72.3 53.4 -57.6 -36.7 -49.0 -4.7 63.2 195 577 A R H > S+ 0 0 180 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.857 111.5 44.6 -69.4 -39.4 -51.6 -3.6 60.6 196 578 A Y H > S+ 0 0 65 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.895 111.4 52.9 -70.3 -45.8 -51.2 -6.9 58.5 197 579 A I H >X S+ 0 0 8 -4,-2.2 4,-1.4 1,-0.2 3,-0.6 0.923 112.6 44.3 -55.6 -50.4 -51.2 -9.2 61.6 198 580 A C H 3X S+ 0 0 0 -4,-1.8 4,-1.3 88,-0.3 -1,-0.2 0.809 107.6 60.2 -65.1 -35.5 -54.5 -7.7 62.8 199 581 A S H 3< S+ 0 0 78 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.754 110.9 39.8 -65.2 -29.6 -56.1 -7.8 59.3 200 582 A K H << S+ 0 0 103 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.739 117.5 45.8 -92.2 -29.4 -55.7 -11.6 59.1 201 583 A I H < S+ 0 0 40 -4,-1.4 7,-0.4 -5,-0.1 2,-0.3 0.568 99.8 84.3 -91.6 -11.8 -56.6 -12.6 62.7 202 584 A A < - 0 0 22 -4,-1.3 2,-0.4 -5,-0.1 5,-0.2 -0.717 57.1-161.6 -98.0 146.1 -59.8 -10.3 62.9 203 585 A V B > S-G 206 0D 99 3,-1.9 3,-0.7 -2,-0.3 -3,-0.0 -0.997 82.0 -9.7-126.7 117.8 -63.3 -11.1 61.6 204 586 A S T 3 S- 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.813 130.3 -56.6 59.7 38.9 -65.7 -8.1 61.0 205 587 A G T 3 S+ 0 0 36 1,-0.2 87,-1.9 -6,-0.1 2,-0.4 0.707 114.2 115.2 69.4 25.8 -63.1 -5.7 62.8 206 588 A E E < -Gh 203 292D 58 -3,-0.7 -3,-1.9 85,-0.2 2,-0.5 -0.994 51.0-155.6-130.0 130.5 -63.1 -7.8 66.0 207 589 A I E - h 0 293D 1 85,-3.3 87,-2.9 -2,-0.4 2,-0.8 -0.922 11.0-146.8-106.7 120.0 -60.1 -9.8 67.5 208 590 A X E - h 0 294D 89 -2,-0.5 49,-1.8 -7,-0.4 2,-0.3 -0.790 28.1-175.4 -87.8 106.9 -61.0 -12.7 69.8 209 591 A V E -ih 257 295D 0 85,-2.6 87,-3.1 -2,-0.8 88,-0.5 -0.784 27.7-155.8-109.3 151.8 -58.2 -12.8 72.4 210 592 A V E -ih 258 297D 0 47,-1.5 49,-0.7 -2,-0.3 88,-0.2 -0.920 28.1-163.6-123.9 92.8 -57.3 -15.1 75.3 211 593 A M E - h 0 298D 48 86,-0.7 88,-1.8 -2,-0.5 2,-0.4 -0.188 13.2-117.2 -74.9 169.7 -55.2 -13.0 77.8 212 594 A L - 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