==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 05-JUN-07 2Q6M . COMPND 2 MOLECULE: CHOLIX TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR A.R.MERRILL,R.JORGENSEN . 203 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 19.7 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+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 3 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 423 A G 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.4 48.0 60.0 10.0 2 424 A S + 0 0 119 1,-0.2 2,-1.0 0, 0.0 0, 0.0 0.883 360.0 56.2 -67.0 -47.6 48.6 59.0 13.7 3 425 A H S S+ 0 0 124 16,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.799 78.3 134.3 -88.4 101.0 45.3 60.3 15.0 4 426 A M - 0 0 99 -2,-1.0 2,-0.1 10,-0.4 15,-0.0 -0.909 53.7-125.1-155.1 120.9 42.9 58.4 12.7 5 427 A A - 0 0 12 -2,-0.3 2,-0.6 165,-0.0 9,-0.2 -0.378 22.0-145.3 -61.6 143.3 39.7 56.6 13.7 6 428 A V E -A 13 0A 59 7,-2.7 7,-2.9 -2,-0.1 2,-0.5 -0.970 6.9-148.0-114.6 121.3 39.7 53.0 12.7 7 429 A I E +A 12 0A 23 -2,-0.6 5,-0.2 5,-0.2 94,-0.0 -0.777 25.2 169.3 -89.8 124.1 36.3 51.7 11.7 8 430 A T E > -A 11 0A 37 3,-2.4 3,-2.5 -2,-0.5 91,-0.2 -0.790 53.8 -95.3-122.0 171.6 35.8 48.0 12.4 9 431 A P T 3 S+ 0 0 59 0, 0.0 90,-2.7 0, 0.0 33,-0.2 0.777 129.0 57.2 -59.4 -23.0 32.7 45.8 12.4 10 432 A Q T 3 S- 0 0 104 1,-0.3 2,-0.1 88,-0.3 165,-0.1 0.127 121.5-111.2 -90.4 19.3 32.5 46.5 16.1 11 433 A G E < -A 8 0A 2 -3,-2.5 -3,-2.4 88,-0.4 -1,-0.3 -0.443 67.0 -1.5 89.7-154.8 32.4 50.2 15.2 12 434 A V E +A 7 0A 44 88,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.456 60.4 172.4 -80.7 136.0 34.9 53.0 15.8 13 435 A T E +A 6 0A 54 -7,-2.9 -7,-2.7 -2,-0.2 3,-0.0 -0.859 56.5 35.4-129.2 170.0 38.2 52.3 17.5 14 436 A N S S+ 0 0 115 -2,-0.3 -10,-0.4 -9,-0.2 2,-0.3 0.906 87.2 114.5 58.4 47.7 41.3 54.4 18.2 15 437 A W - 0 0 33 -3,-0.1 2,-0.2 -10,-0.1 -1,-0.1 -0.754 39.4-179.6-156.3 97.5 39.4 57.7 18.5 16 438 A T > - 0 0 72 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.542 43.4-108.4 -95.3 165.8 39.2 59.7 21.8 17 439 A Y H > S+ 0 0 54 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.900 120.2 58.0 -57.8 -38.5 37.3 62.9 22.3 18 440 A Q H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.929 107.1 47.0 -60.8 -40.6 40.6 64.7 22.5 19 441 A E H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 114.1 47.2 -65.0 -46.3 41.5 63.5 19.0 20 442 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.943 109.1 54.6 -59.3 -46.1 38.0 64.5 17.7 21 443 A E H X S+ 0 0 63 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.914 108.2 48.6 -57.7 -41.1 38.3 67.9 19.3 22 444 A A H X S+ 0 0 55 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.920 112.3 48.6 -66.4 -38.4 41.6 68.6 17.6 23 445 A T H X S+ 0 0 22 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.911 110.1 52.4 -66.3 -45.0 40.2 67.5 14.2 24 446 A H H X S+ 0 0 19 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.930 110.2 47.8 -55.4 -44.8 37.1 69.7 14.8 25 447 A Q H X S+ 0 0 64 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 110.5 51.5 -66.6 -36.4 39.3 72.7 15.5 26 448 A A H X S+ 0 0 23 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.916 111.8 47.8 -63.5 -44.7 41.4 72.0 12.4 27 449 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 -2,-0.2 0.921 109.9 52.8 -62.7 -41.1 38.2 71.8 10.3 28 450 A T H ><5S+ 0 0 62 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.930 106.6 51.6 -60.2 -44.3 37.0 75.0 11.9 29 451 A R H 3<5S+ 0 0 179 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.0 54.7 -61.0 -34.7 40.1 76.8 11.0 30 452 A E T 3<5S- 0 0 129 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.290 125.6-100.6 -81.0 2.5 39.8 75.7 7.4 31 453 A G T < 5S+ 0 0 8 -3,-1.8 78,-2.7 1,-0.3 2,-0.2 0.614 74.4 140.6 92.9 12.9 36.3 77.1 7.2 32 454 A Y E < -B 108 0B 37 -5,-2.5 2,-0.4 76,-0.2 -1,-0.3 -0.616 33.8-156.5 -88.8 152.0 34.1 74.0 7.7 33 455 A V E -B 107 0B 40 74,-2.7 74,-2.4 -2,-0.2 2,-0.2 -0.990 19.1-118.4-131.5 131.2 31.0 74.1 9.8 34 456 A F E +B 106 0B 10 -2,-0.4 72,-0.3 72,-0.2 3,-0.1 -0.487 32.3 170.9 -65.6 134.0 29.3 71.1 11.6 35 457 A V E - 0 0 0 70,-2.9 2,-0.3 1,-0.4 71,-0.2 0.514 52.5 -57.3-122.3 -11.0 25.7 70.5 10.3 36 458 A G E -B 105 0B 0 69,-1.0 69,-2.9 34,-0.1 -1,-0.4 -0.878 53.1 -70.1 154.4 172.3 24.7 67.2 11.9 37 459 A Y E -BC 104 69B 5 32,-2.9 32,-2.2 -2,-0.3 2,-0.4 -0.729 28.8-160.8 -92.3 145.5 25.2 63.6 12.6 38 460 A H E -B 103 0B 13 65,-2.4 65,-2.6 -2,-0.3 2,-0.4 -0.987 9.4-161.2-126.3 117.1 24.8 60.8 10.1 39 461 A G E +B 102 0B 0 -2,-0.4 2,-0.3 63,-0.2 63,-0.2 -0.813 25.6 138.2 -97.5 140.0 24.4 57.3 11.4 40 462 A T E -B 101 0B 13 61,-2.1 61,-2.8 -2,-0.4 136,-0.2 -0.915 51.9 -67.9-160.5 179.5 24.9 54.2 9.4 41 463 A N > - 0 0 48 -2,-0.3 4,-2.3 39,-0.3 5,-0.2 -0.382 52.5-104.1 -73.7 164.0 26.4 50.7 9.3 42 464 A H H > S+ 0 0 38 57,-0.2 4,-1.5 1,-0.2 5,-0.1 0.807 117.1 50.6 -65.3 -31.1 30.1 50.2 9.6 43 465 A V H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.957 113.2 43.3 -69.3 -53.2 30.7 49.4 5.9 44 466 A A H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.855 110.3 59.7 -58.1 -38.5 28.8 52.4 4.6 45 467 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.923 102.8 50.2 -60.5 -42.2 30.5 54.6 7.2 46 468 A Q H X S+ 0 0 65 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.929 109.7 51.2 -64.5 -39.9 33.9 53.8 5.9 47 469 A T H X S+ 0 0 88 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.930 111.2 47.9 -59.5 -44.5 32.9 54.6 2.4 48 470 A I H < S+ 0 0 28 -4,-2.3 120,-0.3 1,-0.2 -1,-0.2 0.894 109.5 51.8 -67.8 -40.6 31.5 58.0 3.5 49 471 A V H < S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 119,-0.2 0.888 109.7 52.0 -63.2 -35.5 34.6 58.9 5.5 50 472 A N H < S- 0 0 118 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.947 136.1 -30.1 -63.3 -50.4 36.6 58.1 2.4 51 473 A R < - 0 0 177 -4,-2.3 2,-0.5 -5,-0.1 -1,-0.3 -0.856 57.8-122.3-169.7 130.1 34.6 60.4 0.1 52 474 A I + 0 0 11 114,-0.4 -4,-0.1 -2,-0.3 114,-0.1 -0.703 46.3 158.8 -77.3 126.7 31.0 61.5 0.1 53 475 A A - 0 0 36 -2,-0.5 -2,-0.1 110,-0.0 107,-0.0 -0.990 46.5 -82.9-152.5 147.4 29.4 60.6 -3.2 54 476 A P 0 0 79 0, 0.0 12,-0.0 0, 0.0 10,-0.0 -0.250 360.0 360.0 -60.9 138.7 26.0 60.0 -4.4 55 477 A V 0 0 160 10,-0.1 11,-0.0 -3,-0.0 9,-0.0 0.855 360.0 360.0 -50.9 360.0 24.5 56.7 -3.7 56 ! 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 57 483 A T > 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 158.0 11.4 54.0 -4.8 58 484 A E H > + 0 0 179 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.892 360.0 49.2 -58.0 -38.5 10.4 57.0 -7.0 59 485 A N H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 104.7 56.4 -68.5 -40.7 9.8 59.0 -3.8 60 486 A E H 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.878 108.8 50.0 -59.0 -29.6 13.2 58.1 -2.2 61 487 A E H >< S+ 0 0 140 -4,-1.8 3,-1.8 2,-0.2 -2,-0.2 0.935 107.2 51.5 -72.7 -45.3 14.7 59.5 -5.5 62 488 A K H 3< S+ 0 0 65 -4,-1.9 77,-0.4 1,-0.3 -2,-0.2 0.882 117.3 41.5 -56.7 -39.8 12.7 62.8 -5.2 63 489 A W T 3< S+ 0 0 30 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.134 90.0 144.5 -97.0 23.2 14.0 63.2 -1.6 64 490 A G < + 0 0 16 -3,-1.8 75,-0.4 -5,-0.1 2,-0.3 -0.270 19.9 89.2 -69.6 146.3 17.5 62.0 -2.4 65 491 A G S S- 0 0 12 94,-0.2 2,-0.6 73,-0.1 94,-0.2 -0.924 81.3 -54.8 159.7-175.2 20.6 63.4 -0.7 66 492 A L E -E 158 0C 7 92,-2.5 92,-2.7 -2,-0.3 2,-0.4 -0.861 54.7-145.7 -91.5 121.7 22.7 62.9 2.4 67 493 A Y E +E 157 0C 47 -2,-0.6 2,-0.3 90,-0.2 90,-0.2 -0.740 24.6 166.8 -95.0 133.5 20.6 62.9 5.5 68 494 A V E -E 156 0C 0 88,-2.4 88,-2.8 -2,-0.4 2,-0.3 -0.909 18.2-153.7-134.0 165.6 21.8 64.3 8.8 69 495 A A B -C 37 0B 0 -32,-2.2 -32,-2.9 -2,-0.3 6,-0.1 -0.995 15.7-150.5-141.1 138.2 20.3 65.3 12.1 70 496 A T S S+ 0 0 24 -2,-0.3 2,-0.7 -34,-0.3 -1,-0.1 0.787 88.8 74.2 -76.8 -23.5 21.4 67.7 14.7 71 497 A H S >> S- 0 0 79 83,-0.4 3,-1.5 1,-0.2 4,-1.0 -0.808 80.0-148.3 -90.5 113.3 19.9 65.7 17.5 72 498 A A H 3> S+ 0 0 5 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.828 90.2 63.6 -56.1 -34.6 22.2 62.7 17.8 73 499 A E H 3> S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.838 97.6 57.8 -60.7 -31.6 19.6 60.2 18.8 74 500 A V H <4 S+ 0 0 27 -3,-1.5 4,-0.4 1,-0.2 3,-0.4 0.961 110.9 41.9 -61.0 -48.8 17.9 60.6 15.4 75 501 A A H >< S+ 0 0 0 -4,-1.0 3,-1.7 1,-0.2 4,-0.5 0.891 107.8 61.5 -64.6 -37.0 21.1 59.6 13.7 76 502 A H H >< S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.837 92.4 65.8 -62.9 -29.3 21.7 56.8 16.2 77 503 A G T 3< S+ 0 0 31 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.778 107.8 41.2 -58.6 -26.0 18.5 55.2 15.1 78 504 A Y T < S+ 0 0 100 -3,-1.7 2,-2.1 -4,-0.4 -1,-0.3 0.431 85.5 100.8-100.4 -2.4 20.1 54.6 11.8 79 505 A A S < S+ 0 0 0 -3,-1.2 97,-2.0 -4,-0.5 21,-0.9 -0.368 72.8 73.3 -88.7 63.5 23.5 53.6 13.0 80 506 A R S S- 0 0 44 -2,-2.1 2,-0.3 19,-0.2 -39,-0.3 -0.982 87.3 -96.9-165.7 153.5 23.0 49.8 12.5 81 507 A I - 0 0 36 -2,-0.3 3,-0.1 14,-0.2 19,-0.1 -0.605 36.4-168.7 -68.2 137.9 22.6 47.0 10.2 82 508 A K + 0 0 139 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.547 61.0 48.4-116.5 -7.0 18.9 46.5 9.7 83 509 A E S S- 0 0 130 7,-0.0 -1,-0.2 12,-0.0 2,-0.2 -0.996 71.2-136.1-136.2 134.5 18.6 43.2 7.9 84 510 A G - 0 0 14 5,-0.6 6,-0.0 -2,-0.4 5,-0.0 -0.559 2.0-155.6 -84.8 152.9 20.2 39.9 8.6 85 511 A T + 0 0 106 -2,-0.2 3,-0.1 4,-0.1 -1,-0.1 0.217 63.4 97.4-113.1 9.9 21.7 37.8 5.8 86 512 A G S > S- 0 0 26 4,-2.4 3,-1.5 1,-0.2 4,-0.1 -0.128 91.9 -46.9 -83.7-169.4 21.4 34.4 7.5 87 513 A E G > S+ 0 0 136 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.316 124.4 0.4 -68.7 141.1 18.6 32.0 6.9 88 514 A Y G 3 S- 0 0 206 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.1 0.729 132.6 -59.3 61.0 23.7 15.0 33.3 6.9 89 515 A G G < S+ 0 0 42 -3,-1.5 -5,-0.6 1,-0.3 -1,-0.3 0.703 94.5 147.6 78.0 23.4 16.4 36.8 7.6 90 516 A L < - 0 0 107 -3,-1.6 -4,-2.4 -4,-0.1 -1,-0.3 -0.649 52.3-114.6 -81.9 143.1 18.1 35.8 10.9 91 517 A P - 0 0 24 0, 0.0 -7,-0.1 0, 0.0 2,-0.1 -0.551 27.4-121.7 -69.8 148.3 21.2 37.9 11.5 92 518 A T > - 0 0 57 -2,-0.2 4,-2.2 -6,-0.1 5,-0.2 -0.392 32.4-100.8 -73.7 172.2 24.5 35.9 11.4 93 519 A R H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.899 126.9 52.6 -61.3 -42.6 26.6 36.0 14.6 94 520 A A H > S+ 0 0 68 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.876 108.3 50.9 -64.5 -35.2 28.9 38.6 12.9 95 521 A E H 4 S+ 0 0 27 2,-0.2 83,-0.5 1,-0.2 3,-0.3 0.868 110.9 47.6 -63.6 -41.3 25.8 40.7 12.1 96 522 A R H < S+ 0 0 123 -4,-2.2 83,-0.3 1,-0.2 -2,-0.2 0.845 112.8 49.8 -68.5 -34.5 24.6 40.6 15.7 97 523 A D H < S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.591 91.4 103.4 -76.1 -20.2 28.1 41.5 16.9 98 524 A A < - 0 0 4 -4,-0.7 80,-0.4 -3,-0.3 2,-0.4 -0.250 54.2-159.5 -65.3 153.4 28.4 44.4 14.5 99 525 A R - 0 0 87 -90,-2.7 -88,-0.4 -91,-0.2 -57,-0.2 -0.993 13.8-128.7-127.5 144.5 28.0 48.0 15.7 100 526 A G - 0 0 1 76,-2.4 75,-0.7 -21,-0.9 2,-0.4 -0.074 22.4-115.4 -78.3-172.4 27.1 50.9 13.5 101 527 A V E -BD 40 174B 1 -61,-2.8 -61,-2.1 -90,-0.1 2,-0.5 -0.990 7.1-144.3-131.9 136.4 29.0 54.2 13.3 102 528 A M E -B 39 0B 1 71,-0.6 69,-2.9 -2,-0.4 2,-0.3 -0.876 24.5-166.3 -96.3 124.5 28.0 57.8 14.1 103 529 A L E -BD 38 170B 0 -65,-2.6 -65,-2.4 -2,-0.5 2,-0.5 -0.836 15.5-139.3-110.1 151.0 29.5 60.3 11.7 104 530 A R E -BD 37 169B 0 65,-3.2 65,-2.3 -2,-0.3 2,-0.4 -0.948 19.8-151.2-106.9 129.0 29.8 64.1 12.0 105 531 A V E -BD 36 168B 0 -69,-2.9 -70,-2.9 -2,-0.5 -69,-1.0 -0.861 12.7-173.7-111.5 131.4 29.2 66.0 8.7 106 532 A Y E -BD 34 167B 0 61,-2.6 61,-2.3 -2,-0.4 -72,-0.2 -0.951 4.2-164.4-122.0 143.1 30.8 69.4 8.0 107 533 A I E -B 33 0B 0 -74,-2.4 -74,-2.7 -2,-0.4 59,-0.1 -0.895 35.3 -93.8-120.3 157.0 30.2 71.7 5.1 108 534 A P E > -B 32 0B 36 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.440 40.3-117.4 -63.6 143.4 32.2 74.6 3.8 109 535 A R G > S+ 0 0 169 -78,-2.7 3,-1.8 1,-0.3 4,-0.3 0.810 111.5 64.1 -56.5 -34.3 30.9 77.8 5.4 110 536 A A G > S+ 0 0 70 1,-0.3 3,-1.6 -79,-0.2 -1,-0.3 0.833 90.9 67.1 -60.8 -25.5 29.9 79.3 2.0 111 537 A S G X S+ 0 0 9 -3,-2.0 3,-1.9 1,-0.3 -1,-0.3 0.710 79.0 80.6 -69.0 -14.6 27.4 76.5 1.6 112 538 A L G X S+ 0 0 26 -3,-1.8 3,-1.5 -4,-0.4 -1,-0.3 0.730 75.2 75.4 -62.3 -22.3 25.4 77.9 4.5 113 539 A E G < S+ 0 0 136 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.741 104.2 35.5 -58.9 -23.9 24.0 80.4 2.0 114 540 A R G < S+ 0 0 71 -3,-1.9 29,-2.4 -4,-0.2 2,-0.7 -0.145 87.2 114.1-123.3 38.5 21.8 77.6 0.6 115 541 A F E < -f 143 0C 0 -3,-1.5 86,-2.5 27,-0.2 29,-0.2 -0.864 49.1-178.0-116.7 91.9 21.1 75.8 3.9 116 542 A Y E -fg 144 201C 43 27,-2.5 29,-1.8 -2,-0.7 2,-0.3 -0.515 15.3-166.1 -98.0 160.3 17.4 76.3 4.4 117 543 A R E -f 145 0C 34 84,-2.0 2,-0.3 27,-0.2 29,-0.2 -0.993 3.2-172.7-145.0 147.5 14.9 75.3 7.1 118 544 A T - 0 0 9 27,-2.3 4,-0.1 -2,-0.3 7,-0.0 -0.952 26.9-139.9-128.3 152.9 11.1 75.2 7.5 119 545 A N S S+ 0 0 112 -2,-0.3 27,-0.1 27,-0.2 3,-0.1 0.559 79.4 98.9 -85.0 -7.4 8.9 74.5 10.5 120 546 A T S S- 0 0 60 1,-0.1 -2,-0.2 5,-0.1 5,-0.1 -0.597 96.0 -95.6 -76.6 136.9 6.6 72.4 8.2 121 547 A P > - 0 0 23 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.264 39.8-121.7 -51.1 131.9 7.2 68.7 8.5 122 548 A L G > S+ 0 0 3 25,-2.4 3,-2.1 1,-0.3 7,-0.1 0.879 107.7 56.0 -57.0 -39.5 9.6 68.1 5.6 123 549 A E G 3 S+ 0 0 83 24,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.686 111.9 44.9 -63.2 -20.2 7.4 65.5 3.9 124 550 A N G < S+ 0 0 117 -3,-2.3 -1,-0.3 1,-0.1 3,-0.2 0.264 100.0 73.8-103.6 6.6 4.5 68.0 3.8 125 551 A A <> + 0 0 2 -3,-2.1 4,-2.9 -4,-0.3 5,-0.2 0.201 52.3 116.4-110.8 15.3 6.7 70.9 2.6 126 552 A E H > S+ 0 0 67 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.871 78.3 50.6 -54.3 -41.4 7.4 70.1 -1.1 127 553 A E H > S+ 0 0 171 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 113.8 44.9 -65.4 -45.4 5.6 73.1 -2.4 128 554 A H H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.922 113.3 50.1 -59.2 -47.7 7.4 75.4 -0.0 129 555 A I H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.925 111.4 47.7 -61.6 -42.4 10.8 73.8 -0.7 130 556 A T H X>S+ 0 0 36 -4,-2.6 4,-1.8 -5,-0.2 5,-0.7 0.901 111.5 51.1 -72.0 -31.4 10.4 74.1 -4.5 131 557 A Q H <5S+ 0 0 168 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.931 113.6 45.8 -66.3 -41.6 9.3 77.7 -4.2 132 558 A V H <5S+ 0 0 56 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 119.1 38.4 -70.9 -39.8 12.4 78.5 -2.1 133 559 A I H <5S- 0 0 20 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.663 102.6-129.4 -86.4 -15.8 14.9 76.7 -4.3 134 560 A G T <5S+ 0 0 67 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.649 76.2 60.5 77.7 19.4 13.3 77.7 -7.6 135 561 A H S S- 0 0 46 4,-0.3 3,-2.8 -27,-0.1 -1,-0.2 -0.931 102.2 -67.8-156.2 164.6 7.2 64.5 11.5 150 576 A A T 3 S+ 0 0 84 1,-0.3 3,-0.1 -2,-0.3 -30,-0.1 -0.430 127.8 13.4 -61.7 132.2 5.0 67.0 13.3 151 577 A G T 3 S+ 0 0 93 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.413 110.1 122.0 81.3 -5.0 6.3 67.3 16.9 152 578 A G < - 0 0 25 -3,-2.8 -1,-0.3 1,-0.2 3,-0.1 -0.361 68.7 -93.4 -88.1 171.0 9.5 65.5 15.8 153 579 A E - 0 0 97 1,-0.1 -5,-2.9 -6,-0.1 -4,-0.3 -0.293 53.9 -89.5 -68.9 161.7 13.1 66.4 15.8 154 580 A D E - H 0 147C 16 -7,-0.3 -83,-0.4 -6,-0.1 2,-0.3 -0.343 35.3-166.9 -70.5 152.8 14.7 67.9 12.8 155 581 A E E - H 0 146C 24 -9,-2.4 -9,-2.2 -86,-0.1 2,-0.4 -0.968 8.8-149.1-131.0 151.5 16.2 66.1 9.8 156 582 A T E -EH 68 145C 0 -88,-2.8 -88,-2.4 -2,-0.3 2,-0.6 -0.991 2.6-158.8-121.0 128.7 18.3 67.7 7.1 157 583 A V E -EH 67 144C 2 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.7 -0.941 9.9-160.8-103.3 115.3 18.6 66.6 3.5 158 584 A I E -EH 66 143C 0 -92,-2.7 -92,-2.5 -2,-0.6 -15,-0.2 -0.885 22.7-124.5 -96.9 115.7 21.8 67.8 1.9 159 585 A G >> - 0 0 0 -17,-2.6 4,-2.8 -2,-0.7 3,-1.3 -0.278 22.2-116.0 -58.1 149.5 21.4 67.7 -1.9 160 586 A W H 3> S+ 0 0 45 -21,-0.5 4,-2.1 1,-0.3 5,-0.2 0.851 113.1 60.0 -61.0 -36.4 24.1 65.6 -3.5 161 587 A D H 34 S+ 0 0 88 -21,-0.3 -1,-0.3 -22,-0.3 -20,-0.3 0.790 115.7 36.8 -63.6 -25.2 25.7 68.6 -5.4 162 588 A M H X4 S+ 0 0 0 -3,-1.3 3,-2.0 -22,-0.9 -2,-0.2 0.864 111.6 59.8 -83.6 -43.6 26.3 70.2 -2.0 163 589 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.804 90.9 67.3 -64.3 -26.8 27.1 67.0 -0.1 164 590 A I T 3< S+ 0 0 72 -4,-2.1 -1,-0.3 1,-0.3 -112,-0.2 0.685 99.6 53.7 -70.1 -8.1 30.1 66.1 -2.3 165 591 A H T < S+ 0 0 84 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.392 94.5 97.2 -99.7 0.2 31.8 69.2 -0.8 166 592 A A < - 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0 0 5 -97,-2.0 -76,-2.4 -136,-0.2 2,-0.3 -0.175 28.6-134.7-100.8-168.5 23.7 51.2 17.4 177 603 A A - 0 0 2 -78,-0.2 4,-0.2 -97,-0.1 -78,-0.1 -0.939 32.0 -96.2-148.2 165.6 23.2 47.5 16.7 178 604 A Y S S+ 0 0 57 -83,-0.5 2,-0.7 -80,-0.4 -82,-0.1 0.904 124.9 51.6 -52.0 -48.0 20.8 45.1 14.9 179 605 A E S S- 0 0 147 -83,-0.3 -1,-0.2 -3,-0.1 -97,-0.0 -0.893 115.1-111.3 -89.4 112.7 19.3 44.6 18.3 180 606 A E - 0 0 132 -2,-0.7 2,-0.3 -4,-0.1 -2,-0.1 -0.106 35.0-167.0 -60.1 140.6 18.7 48.1 19.3 181 607 A L - 0 0 79 -4,-0.2 2,-0.1 3,-0.0 -4,-0.1 -0.922 27.6-104.9-123.6 150.0 20.7 49.8 22.1 182 608 A A - 0 0 99 -2,-0.3 -109,-0.0 1,-0.1 3,-0.0 -0.443 44.7-101.1 -72.8 146.2 20.0 53.1 23.8 183 609 A I - 0 0 15 -2,-0.1 2,-1.0 1,-0.1 -1,-0.1 -0.318 33.6-110.1 -65.8 150.1 22.3 56.0 22.9 184 610 A D > - 0 0 65 -10,-0.3 4,-1.9 1,-0.2 3,-0.4 -0.723 31.2-170.7 -83.3 97.8 25.2 56.9 25.3 185 611 A E H > S+ 0 0 124 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.822 81.7 60.7 -64.9 -32.8 24.1 60.2 26.7 186 612 A E H > S+ 0 0 158 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 106.9 46.1 -59.4 -40.6 27.4 60.8 28.4 187 613 A A H > S+ 0 0 13 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.898 110.2 52.6 -71.0 -36.7 29.1 60.7 25.1 188 614 A V H X S+ 0 0 32 -4,-1.9 4,-0.7 1,-0.2 3,-0.2 0.952 111.3 49.2 -57.9 -47.6 26.5 63.0 23.5 189 615 A A H >< S+ 0 0 57 -4,-2.7 3,-1.0 1,-0.2 4,-0.5 0.910 106.0 54.7 -62.2 -43.2 27.1 65.5 26.4 190 616 A K H 3< S+ 0 0 127 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.880 114.6 41.0 -61.9 -31.1 30.9 65.4 26.0 191 617 A E H >< S+ 0 0 0 -4,-1.6 3,-1.3 -3,-0.2 -1,-0.3 0.506 87.8 98.6 -89.9 -4.6 30.5 66.3 22.3 192 618 A Q G X< S+ 0 0 143 -3,-1.0 3,-2.0 -4,-0.7 -1,-0.2 0.857 75.0 57.4 -56.3 -44.1 27.7 68.9 22.8 193 619 A S G 3 S+ 0 0 94 -4,-0.5 3,-0.3 -3,-0.3 -1,-0.3 0.757 112.0 41.5 -67.9 -20.5 29.9 72.0 22.7 194 620 A I G < S+ 0 0 9 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.219 108.2 66.0-102.4 15.6 31.3 71.2 19.3 195 621 A S < + 0 0 15 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.1 -0.045 64.4 147.3-132.0 33.3 27.9 70.1 17.9 196 622 A T - 0 0 99 -3,-0.3 -3,-0.0 1,-0.1 -162,-0.0 -0.295 56.8 -94.4 -69.5 150.7 25.8 73.2 17.9 197 623 A K - 0 0 134 1,-0.1 -1,-0.1 -162,-0.0 -162,-0.1 -0.400 40.6-121.2 -63.0 143.8 23.2 73.6 15.2 198 624 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.347 35.9 -90.6 -73.8 164.8 24.3 75.6 12.2 199 625 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 -0.466 45.3-150.6 -73.6 148.0 22.5 78.7 11.2 200 626 A Y - 0 0 43 -2,-0.1 2,-0.8 -3,-0.1 -84,-0.2 -0.898 18.2-121.6-118.9 152.4 19.6 78.3 8.8 201 627 A K B g 116 0C 109 -86,-2.5 -84,-2.0 -2,-0.3 -88,-0.0 -0.832 360.0 360.0 -90.7 111.7 18.0 80.4 6.1 202 628 A E 0 0 133 -2,-0.8 -1,-0.2 -86,-0.2 -83,-0.1 0.413 360.0 360.0-156.1 360.0 14.4 80.6 7.3 203 ! 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 0.0 204 1001 A X 0 0 174 0, 0.0 -144,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 16.9 54.6 3.2 205 ! 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 0.0 206 1002 A X 0 0 232 0, 0.0 -39,-0.1 0, 0.0 -155,-0.1 0.000 360.0 360.0 360.0 360.0 37.4 66.0 1.1