==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-JUL-10 3NY6 . COMPND 2 MOLECULE: CHOLIX TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR A.R.MERRILL,R.JORGENSEN . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 63.1 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 16.7 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 18.7 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 2 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 1 425 A H 0 0 211 0, 0.0 3,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 91.0 9.3 9.3 -19.5 2 426 A M + 0 0 95 1,-0.2 11,-0.2 15,-0.0 10,-0.2 -0.620 360.0 19.0-105.0 157.0 6.0 7.6 -20.3 3 427 A A S S- 0 0 22 9,-2.0 2,-0.5 8,-0.3 -1,-0.2 0.867 73.5-175.5 56.7 45.3 2.3 8.0 -19.2 4 428 A V E -A 11 0A 56 7,-1.8 7,-2.4 -3,-0.3 2,-0.6 -0.606 17.5-141.4 -79.0 119.3 2.9 11.6 -18.1 5 429 A I E +A 10 0A 23 -2,-0.5 5,-0.2 5,-0.2 -1,-0.1 -0.717 29.0 169.6 -86.8 120.3 -0.3 13.0 -16.5 6 430 A T E > -A 9 0A 39 3,-2.1 3,-1.1 -2,-0.6 89,-0.2 -0.756 50.3-101.7-117.4 166.8 -0.9 16.7 -17.4 7 431 A P T 3 S+ 0 0 71 0, 0.0 88,-2.7 0, 0.0 33,-0.2 0.766 122.0 41.1 -58.2 -23.9 -4.0 18.9 -16.8 8 432 A Q T 3 S- 0 0 118 1,-0.3 2,-0.1 86,-0.3 88,-0.1 -0.226 126.3 -40.7-123.8 46.6 -4.9 18.4 -20.5 9 433 A G E < -A 6 0A 22 -3,-1.1 -3,-2.1 86,-0.4 2,-0.6 -0.425 63.5 -77.7 125.4 164.7 -4.1 14.7 -21.2 10 434 A V E -A 5 0A 42 -5,-0.2 3,-0.3 -2,-0.1 -5,-0.2 -0.904 51.9-160.4 -99.3 117.7 -1.8 11.8 -20.7 11 435 A T E +A 4 0A 59 -7,-2.4 -7,-1.8 -2,-0.6 -8,-0.3 -0.557 61.5 26.5-100.9 165.0 1.3 12.3 -22.9 12 436 A N S S+ 0 0 101 -9,-0.2 -9,-2.0 -2,-0.2 2,-0.2 0.926 87.8 122.6 52.7 51.8 3.9 9.9 -24.2 13 437 A W + 0 0 30 -3,-0.3 2,-0.2 -11,-0.2 -1,-0.1 -0.712 34.2 174.5-149.4 88.1 1.5 7.0 -23.9 14 438 A T > - 0 0 72 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.501 45.5-110.7 -87.7 161.4 0.8 4.9 -27.0 15 439 A Y H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.902 120.9 56.1 -58.0 -39.8 -1.3 1.7 -27.1 16 440 A Q H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 108.3 47.7 -58.7 -39.2 1.9 -0.3 -27.8 17 441 A E H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.916 112.7 48.3 -67.2 -44.8 3.4 1.2 -24.6 18 442 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.923 108.7 54.8 -57.6 -46.0 0.3 0.4 -22.6 19 443 A E H X S+ 0 0 52 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.923 108.6 46.4 -60.0 -43.8 0.3 -3.2 -23.9 20 444 A A H X S+ 0 0 56 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.859 113.6 50.2 -65.5 -36.2 3.9 -3.9 -22.8 21 445 A T H X S+ 0 0 36 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.921 110.3 49.6 -65.7 -44.0 3.1 -2.4 -19.4 22 446 A H H X S+ 0 0 25 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.922 110.4 50.3 -59.8 -46.1 -0.1 -4.6 -19.2 23 447 A Q H X S+ 0 0 110 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.904 109.9 50.8 -59.4 -39.0 2.0 -7.7 -20.1 24 448 A A H X S+ 0 0 37 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 107.6 53.5 -64.5 -41.6 4.5 -6.7 -17.4 25 449 A L H <>S+ 0 0 11 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.911 107.8 51.0 -58.0 -41.8 1.6 -6.4 -14.9 26 450 A T H ><5S+ 0 0 69 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.910 110.7 48.0 -60.5 -44.1 0.6 -9.9 -15.9 27 451 A R H 3<5S+ 0 0 229 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.9 56.1 -64.8 -32.3 4.1 -11.2 -15.3 28 452 A E T 3<5S- 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.550 124.5-104.1 -78.5 -9.5 4.2 -9.4 -11.9 29 453 A G T < 5S+ 0 0 29 -3,-1.0 76,-2.6 -4,-0.5 2,-0.3 0.688 74.9 134.7 97.3 22.7 1.0 -11.2 -10.9 30 454 A Y E < -B 104 0B 60 -5,-2.6 2,-0.4 74,-0.2 -1,-0.3 -0.751 37.3-156.1-104.8 151.6 -1.6 -8.5 -11.3 31 455 A V E -B 103 0B 20 72,-2.8 72,-2.2 -2,-0.3 2,-0.2 -0.991 21.8-116.5-130.1 132.1 -5.0 -8.8 -12.9 32 456 A F E +B 102 0B 9 -2,-0.4 70,-0.3 70,-0.2 3,-0.1 -0.442 34.0 169.5 -67.3 132.3 -7.1 -6.1 -14.5 33 457 A V E - 0 0 0 68,-2.9 2,-0.3 1,-0.4 69,-0.2 0.526 52.4 -55.6-118.8 -12.6 -10.4 -5.5 -12.8 34 458 A G E -B 101 0B 0 67,-1.2 67,-2.8 32,-0.1 -1,-0.4 -0.893 53.0 -70.9 157.6 171.0 -11.8 -2.3 -14.2 35 459 A Y E -BC 100 65B 5 30,-3.1 30,-2.1 -2,-0.3 2,-0.4 -0.745 28.4-164.2 -93.8 144.8 -11.5 1.4 -15.1 36 460 A H E -B 99 0B 35 63,-2.2 63,-2.4 -2,-0.3 2,-0.4 -0.989 10.1-159.4-124.1 120.6 -11.6 4.3 -12.6 37 461 A G E +B 98 0B 5 -2,-0.4 2,-0.3 61,-0.2 61,-0.2 -0.786 26.5 138.5 -97.2 140.7 -12.3 7.8 -14.0 38 462 A T E -B 97 0B 21 59,-2.1 59,-2.9 -2,-0.4 134,-0.2 -0.952 52.4 -65.9-162.1-178.9 -11.3 10.9 -12.2 39 463 A N > - 0 0 49 37,-0.3 4,-2.2 -2,-0.3 57,-0.2 -0.373 53.4-105.0 -74.7 162.4 -9.8 14.4 -12.4 40 464 A H H > S+ 0 0 38 55,-0.3 4,-1.5 1,-0.2 5,-0.1 0.778 117.3 51.5 -62.2 -30.0 -6.1 14.8 -13.3 41 465 A V H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 113.4 42.0 -71.4 -52.0 -5.0 15.6 -9.8 42 466 A A H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.836 111.0 60.3 -62.4 -32.7 -6.7 12.7 -8.1 43 467 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 103.5 48.3 -64.8 -42.7 -5.5 10.5 -11.0 44 468 A Q H X S+ 0 0 71 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.913 110.2 52.8 -62.3 -43.4 -1.8 11.3 -10.2 45 469 A T H X S+ 0 0 84 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.918 110.4 46.9 -56.7 -47.4 -2.3 10.5 -6.5 46 470 A I H < S+ 0 0 27 -4,-2.3 118,-0.3 2,-0.2 -1,-0.2 0.901 111.5 50.8 -64.3 -41.0 -3.9 7.1 -7.3 47 471 A V H < S+ 0 0 46 -4,-2.3 117,-0.2 1,-0.2 -1,-0.2 0.889 109.1 52.3 -64.7 -39.0 -1.1 6.2 -9.8 48 472 A N H < S- 0 0 117 -4,-2.5 2,-0.2 1,-0.3 -2,-0.2 0.954 136.6 -37.2 -58.7 -50.6 1.5 7.1 -7.1 49 473 A R < - 0 0 179 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.3 -0.801 56.2-115.5-176.2 133.5 -0.2 4.8 -4.6 50 474 A I + 0 0 8 112,-0.4 -4,-0.1 -2,-0.2 112,-0.1 -0.654 45.1 161.9 -75.3 121.5 -3.8 3.8 -3.8 51 475 A A - 0 0 60 -2,-0.5 -2,-0.1 0, 0.0 105,-0.0 -0.981 43.8 -86.6-141.1 147.9 -4.6 4.9 -0.2 52 476 A P 0 0 81 0, 0.0 10,-0.0 0, 0.0 8,-0.0 -0.275 360.0 360.0 -58.2 135.0 -8.0 5.4 1.5 53 477 A V 0 0 171 8,-0.1 8,-0.2 0, 0.0 0, 0.0 -0.898 360.0 360.0-128.2 360.0 -9.9 8.6 1.1 54 ! 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 55 485 A N 0 0 155 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.7 -23.8 5.4 6.2 56 486 A E > + 0 0 182 1,-0.2 3,-1.4 2,-0.2 0, 0.0 0.917 360.0 52.2 -69.0 -44.7 -21.5 6.9 3.7 57 487 A E G > S+ 0 0 150 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.745 94.1 72.9 -69.8 -20.2 -18.5 5.0 5.0 58 488 A K G 3 S+ 0 0 55 1,-0.3 77,-0.4 75,-0.1 -1,-0.3 0.849 105.1 39.5 -53.2 -38.2 -20.4 1.7 4.8 59 489 A W G < S+ 0 0 59 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.109 89.8 133.2-102.5 17.5 -19.9 2.0 1.0 60 490 A G < + 0 0 23 -3,-1.6 75,-0.4 93,-0.1 96,-0.3 -0.414 27.7 89.3 -70.4 142.6 -16.3 3.3 1.1 61 491 A G S S- 0 0 12 -8,-0.2 2,-0.6 94,-0.2 94,-0.2 -0.932 81.4 -54.1 161.7-171.1 -13.7 1.8 -1.1 62 492 A L E -E 154 0C 7 92,-2.5 92,-2.8 -2,-0.3 2,-0.4 -0.877 52.8-146.7 -97.0 121.5 -12.2 2.2 -4.6 63 493 A Y E +E 153 0C 82 -2,-0.6 2,-0.3 90,-0.2 90,-0.2 -0.744 24.9 163.7 -93.1 127.8 -14.9 2.1 -7.4 64 494 A V E -E 152 0C 5 88,-2.7 88,-2.6 -2,-0.4 2,-0.3 -0.906 19.6-152.8-133.0 166.5 -14.2 0.7 -10.8 65 495 A A B -C 35 0B 3 -30,-2.1 -30,-3.1 -2,-0.3 6,-0.1 -0.997 16.3-149.4-138.5 143.0 -16.2 -0.5 -13.8 66 496 A T S S+ 0 0 26 -2,-0.3 2,-0.8 -32,-0.2 -1,-0.1 0.797 90.0 74.4 -77.0 -26.3 -15.6 -3.0 -16.5 67 497 A H S >> S- 0 0 86 83,-0.3 3,-1.5 1,-0.2 4,-0.9 -0.798 79.8-149.7 -89.7 109.4 -17.7 -1.0 -19.0 68 498 A A H 3> S+ 0 0 3 -2,-0.8 4,-2.5 1,-0.3 5,-0.2 0.823 90.2 65.5 -53.4 -38.8 -15.4 2.0 -19.8 69 499 A E H 3> S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.860 96.4 57.4 -52.6 -37.4 -18.3 4.4 -20.4 70 500 A V H <4 S+ 0 0 20 -3,-1.5 3,-0.4 1,-0.2 4,-0.4 0.956 112.1 40.1 -59.8 -50.0 -19.3 4.1 -16.7 71 501 A A H >< S+ 0 0 6 -4,-0.9 3,-1.8 1,-0.2 4,-0.5 0.865 107.4 63.8 -65.6 -36.3 -15.8 5.3 -15.5 72 502 A H H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.3 100,-0.2 0.838 91.5 65.6 -60.0 -31.4 -15.6 7.9 -18.3 73 503 A G T 3< S+ 0 0 25 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.768 107.6 41.2 -59.1 -24.7 -18.6 9.7 -16.7 74 504 A Y T < S+ 0 0 150 -3,-1.8 2,-2.2 -4,-0.4 -1,-0.3 0.446 83.8 102.1-100.6 -5.2 -16.4 10.5 -13.7 75 505 A A S < S+ 0 0 0 -3,-1.2 97,-1.6 -4,-0.5 21,-1.1 -0.370 73.9 70.4 -85.3 61.6 -13.2 11.4 -15.6 76 506 A R S S- 0 0 42 -2,-2.2 2,-0.3 19,-0.2 -37,-0.3 -0.988 89.7 -90.4-166.3 156.0 -13.6 15.1 -15.2 77 507 A I - 0 0 34 -2,-0.3 3,-0.1 14,-0.2 19,-0.1 -0.657 35.3-165.9 -70.5 136.5 -13.6 18.1 -12.8 78 508 A K + 0 0 160 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.651 63.1 46.0-102.5 -22.6 -17.2 18.4 -11.5 79 509 A E - 0 0 147 7,-0.0 2,-0.2 12,-0.0 -1,-0.2 -0.982 68.4-138.0-131.0 136.4 -17.2 21.9 -10.0 80 510 A G - 0 0 8 5,-0.8 6,-0.1 -2,-0.4 -2,-0.0 -0.598 5.5-158.8 -84.3 150.3 -15.9 25.3 -11.1 81 511 A T + 0 0 108 -2,-0.2 5,-0.1 5,-0.1 3,-0.1 0.297 60.0 97.5-114.4 8.3 -14.0 27.4 -8.6 82 512 A G S > S- 0 0 27 4,-2.7 3,-1.6 1,-0.2 6,-0.1 -0.037 91.3 -40.2 -79.6-169.6 -14.5 30.8 -10.3 83 513 A E G > S- 0 0 146 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 -0.300 129.0 -2.1 -56.6 132.8 -17.2 33.4 -9.5 84 514 A Y G 3 S- 0 0 221 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.778 133.6 -57.5 55.1 30.9 -20.6 32.0 -8.9 85 515 A G G < S+ 0 0 39 -3,-1.6 -5,-0.8 1,-0.3 -1,-0.3 0.439 94.5 151.8 83.6 1.4 -19.3 28.4 -9.5 86 516 A L < - 0 0 109 -3,-2.2 -4,-2.7 -5,-0.1 -1,-0.3 -0.347 49.3-112.8 -63.8 141.7 -18.1 29.2 -13.0 87 517 A P - 0 0 25 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 -0.550 26.9-126.0 -72.7 142.4 -15.1 27.2 -14.2 88 518 A T > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.321 33.9 -99.4 -70.6 168.4 -11.9 29.1 -14.8 89 519 A R H > S+ 0 0 180 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 128.2 52.5 -58.0 -42.6 -10.2 28.7 -18.2 90 520 A A H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.910 110.8 47.8 -58.6 -40.1 -7.9 26.1 -16.8 91 521 A E H 4 S+ 0 0 30 2,-0.2 83,-0.5 1,-0.2 -14,-0.2 0.875 113.2 47.1 -69.1 -37.6 -10.9 24.2 -15.4 92 522 A R H < S+ 0 0 116 -4,-2.5 83,-0.3 1,-0.2 82,-0.3 0.909 116.8 43.5 -65.3 -43.1 -12.8 24.4 -18.7 93 523 A D H < S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.598 93.0 102.3 -86.8 -12.8 -9.8 23.3 -20.8 94 524 A A < - 0 0 5 -4,-1.3 80,-0.4 -5,-0.2 2,-0.4 -0.193 56.8-149.9 -64.2 160.2 -8.7 20.4 -18.5 95 525 A R - 0 0 85 -88,-2.7 -86,-0.4 -89,-0.2 -55,-0.3 -0.980 11.1-133.1-127.2 144.0 -9.3 16.8 -19.2 96 526 A G - 0 0 5 76,-2.2 75,-0.6 -21,-1.1 2,-0.4 -0.179 27.1-112.3 -82.6-170.6 -9.8 14.1 -16.5 97 527 A V E -BD 38 170B 3 -59,-2.9 -59,-2.1 -23,-0.1 2,-0.5 -0.977 7.5-141.3-134.1 134.1 -8.0 10.7 -16.7 98 528 A M E -B 37 0B 3 71,-0.6 69,-2.7 -2,-0.4 2,-0.3 -0.877 27.2-164.0 -91.1 124.6 -9.1 7.1 -17.3 99 529 A L E -BD 36 166B 0 -63,-2.4 -63,-2.2 -2,-0.5 2,-0.5 -0.858 14.9-139.5-110.8 148.8 -7.1 4.7 -15.1 100 530 A R E -BD 35 165B 0 65,-3.5 65,-1.8 -2,-0.3 2,-0.4 -0.923 21.9-153.8-105.5 127.5 -6.8 1.0 -15.3 101 531 A V E -BD 34 164B 0 -67,-2.8 -68,-2.9 -2,-0.5 -67,-1.2 -0.892 12.4-175.2-111.5 137.9 -6.9 -0.8 -12.0 102 532 A Y E -BD 32 163B 0 61,-2.8 61,-2.4 -2,-0.4 -70,-0.2 -0.949 6.9-161.1-130.8 145.1 -5.3 -4.2 -11.2 103 533 A I E -B 31 0B 0 -72,-2.2 -72,-2.8 -2,-0.3 59,-0.1 -0.819 38.3 -86.3-118.7 160.4 -5.3 -6.4 -8.1 104 534 A P E > -B 30 0B 35 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.422 41.9-117.9 -61.7 140.1 -3.0 -9.3 -7.1 105 535 A R G > S+ 0 0 138 -76,-2.6 3,-1.8 1,-0.3 4,-0.2 0.867 113.0 57.8 -49.2 -42.0 -4.2 -12.6 -8.7 106 536 A A G > S+ 0 0 79 1,-0.3 3,-1.7 -77,-0.2 -1,-0.3 0.772 92.1 70.2 -64.0 -24.5 -4.8 -14.2 -5.2 107 537 A S G X S+ 0 0 9 -3,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.688 77.2 81.1 -66.2 -16.9 -7.2 -11.3 -4.3 108 538 A L G X S+ 0 0 20 -3,-1.8 3,-1.4 -4,-0.4 -1,-0.3 0.730 76.5 73.3 -58.7 -21.8 -9.6 -12.8 -6.9 109 539 A E G < S+ 0 0 135 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.823 105.0 36.0 -59.8 -33.1 -10.6 -15.3 -4.1 110 540 A R G < S+ 0 0 66 -3,-1.6 29,-2.3 -4,-0.2 2,-0.7 -0.186 88.3 112.6-113.8 38.7 -12.5 -12.5 -2.4 111 541 A F E < -f 139 0C 0 -3,-1.4 86,-2.6 27,-0.2 29,-0.2 -0.861 51.0-175.4-118.5 91.9 -13.7 -10.8 -5.5 112 542 A Y E -fg 140 197C 48 27,-2.6 29,-1.9 -2,-0.7 2,-0.3 -0.505 16.3-166.5 -98.3 156.7 -17.5 -11.3 -5.4 113 543 A R E -f 141 0C 39 84,-2.1 2,-0.3 27,-0.2 86,-0.2 -0.998 2.8-174.6-137.4 146.5 -20.4 -10.6 -7.7 114 544 A T - 0 0 11 27,-2.5 4,-0.1 -2,-0.3 7,-0.0 -0.963 28.8-137.3-129.0 154.2 -24.2 -10.5 -7.3 115 545 A N S S+ 0 0 118 -2,-0.3 27,-0.1 27,-0.2 -1,-0.1 0.621 82.2 95.0 -78.7 -14.0 -27.0 -10.0 -9.8 116 546 A T S S- 0 0 60 1,-0.1 -2,-0.2 5,-0.1 5,-0.1 -0.631 94.7-101.7 -78.7 132.2 -28.8 -7.8 -7.2 117 547 A P > - 0 0 24 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.291 34.9-122.6 -50.3 135.3 -28.1 -4.1 -7.7 118 548 A L G > S+ 0 0 1 25,-1.9 3,-2.0 1,-0.3 4,-0.2 0.845 109.4 59.5 -56.7 -39.0 -25.5 -3.3 -5.0 119 549 A E G 3 S+ 0 0 119 24,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.692 112.9 40.5 -61.1 -21.0 -27.6 -0.6 -3.3 120 550 A N G < S+ 0 0 114 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.295 105.2 71.2-106.8 7.1 -30.3 -3.2 -2.8 121 551 A A <> + 0 0 3 -3,-2.0 4,-2.9 -4,-0.3 5,-0.2 0.160 53.2 114.4-113.4 14.2 -27.8 -6.0 -1.8 122 552 A E H > S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 80.4 49.2 -55.7 -47.6 -26.5 -5.0 1.7 123 553 A E H > S+ 0 0 155 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 115.0 45.0 -57.2 -47.1 -28.0 -8.0 3.5 124 554 A H H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 112.7 51.2 -62.3 -47.5 -26.6 -10.4 0.9 125 555 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.919 109.3 49.4 -57.4 -47.7 -23.2 -8.8 0.9 126 556 A T H X>S+ 0 0 32 -4,-2.7 4,-1.4 -5,-0.2 5,-1.0 0.848 111.3 49.8 -65.8 -35.2 -22.8 -8.9 4.6 127 557 A Q H <5S+ 0 0 139 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.909 111.9 48.2 -65.8 -42.6 -23.8 -12.6 4.7 128 558 A V H <5S+ 0 0 54 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.9 38.4 -63.6 -47.4 -21.3 -13.5 2.0 129 559 A I H <5S- 0 0 19 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.689 105.7-126.8 -84.1 -15.9 -18.4 -11.6 3.6 130 560 A G T <5S+ 0 0 65 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.686 77.0 61.8 81.7 19.9 -19.3 -12.6 7.2 131 561 A H S S- 0 0 48 4,-0.3 3,-2.3 -27,-0.0 2,-0.4 -0.931 106.4 -58.9-159.9 174.2 -28.7 0.7 -10.6 146 576 A A T 3 S- 0 0 84 1,-0.3 3,-0.1 -2,-0.3 -30,-0.1 -0.471 128.4 -2.3 -68.5 117.8 -31.8 -1.4 -11.4 147 577 A G T 3 S+ 0 0 86 -2,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.572 111.9 131.3 80.1 8.0 -31.1 -2.7 -14.9 148 578 A G < - 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0 0 7 -3,-1.8 -112,-0.4 -4,-0.2 2,-0.3 -0.448 62.8-149.3 -83.0 163.4 -4.1 -2.8 -6.0 163 593 A V E -D 102 0B 42 -61,-2.4 -61,-2.8 -2,-0.1 2,-0.4 -0.957 5.2-154.8-131.7 151.5 -2.2 -0.8 -8.6 164 594 A A E +D 101 0B 8 -118,-0.3 -63,-0.2 -2,-0.3 -65,-0.0 -0.990 12.3 175.1-129.4 143.1 -3.3 1.7 -11.3 165 595 A I E -D 100 0B 26 -65,-1.8 -65,-3.5 -2,-0.4 2,-0.1 -0.932 41.4 -89.6-129.3 157.4 -1.8 2.9 -14.6 166 596 A P E -D 99 0B 4 0, 0.0 -67,-0.3 0, 0.0 2,-0.1 -0.388 33.4-136.5 -67.2 147.3 -3.4 5.3 -17.2 167 597 A S E - 0 0 4 -69,-2.7 -69,-0.2 2,-0.2 -157,-0.1 -0.426 17.1-125.4 -79.2 168.1 -5.6 4.0 -20.0 168 598 A T E S+ 0 0 34 15,-0.2 -153,-0.1 -2,-0.1 16,-0.1 0.433 82.4 107.1 -92.9 -1.8 -5.2 5.3 -23.6 169 599 A I E S- 0 0 4 14,-0.1 -71,-0.6 -71,-0.1 -2,-0.2 -0.667 80.5-116.7 -73.4 121.0 -8.9 6.2 -23.6 170 600 A P E -D 97 0B 66 0, 0.0 10,-0.3 0, 0.0 -73,-0.1 -0.233 29.2-114.0 -60.3 145.7 -9.0 10.0 -23.3 171 601 A G - 0 0 12 -75,-0.6 -74,-0.1 1,-0.1 -95,-0.1 -0.119 25.5-109.8 -71.2 175.1 -10.7 11.5 -20.3 172 602 A N - 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