==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,TOXIN 31-OCT-09 3KI0 . COMPND 2 MOLECULE: CHOLIX TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR R.JORGENSEN,P.R EDWARDS,A.R.MERRILL . 199 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 62.3 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 16.6 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 19.1 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 1 423 A G 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-160.4 48.4 60.3 10.0 2 424 A S + 0 0 112 1,-0.2 2,-1.1 0, 0.0 0, 0.0 0.859 360.0 62.7 -74.4 -37.9 48.9 59.1 13.6 3 425 A H S S+ 0 0 124 16,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.774 77.4 135.9 -85.0 101.3 45.7 60.6 15.0 4 426 A M - 0 0 105 -2,-1.1 15,-0.0 10,-0.4 0, 0.0 -0.887 54.2-125.0-157.5 113.7 43.2 58.6 12.9 5 427 A A - 0 0 14 -2,-0.3 2,-0.5 163,-0.1 9,-0.2 -0.260 23.2-147.2 -56.6 140.5 40.0 56.9 13.9 6 428 A V E -A 13 0A 66 7,-2.7 7,-2.8 5,-0.0 2,-0.6 -0.977 5.2-148.6-114.3 120.8 39.9 53.2 12.9 7 429 A I E +A 12 0A 24 -2,-0.5 5,-0.2 5,-0.2 92,-0.0 -0.806 24.6 170.1 -90.8 121.1 36.5 51.8 11.9 8 430 A T E > -A 11 0A 38 3,-2.2 3,-2.2 -2,-0.6 89,-0.2 -0.736 52.6 -96.4-117.3 170.6 36.1 48.2 12.7 9 431 A P T 3 S+ 0 0 63 0, 0.0 88,-2.5 0, 0.0 33,-0.2 0.767 128.4 55.9 -57.7 -23.2 33.0 45.9 12.7 10 432 A Q T 3 S- 0 0 109 1,-0.4 2,-0.1 86,-0.3 88,-0.1 0.155 122.8-106.6 -94.7 20.1 32.7 46.7 16.4 11 433 A G E < -A 8 0A 3 -3,-2.2 -3,-2.2 86,-0.4 -1,-0.4 -0.456 66.2 -6.4 93.7-161.6 32.6 50.4 15.6 12 434 A V E +A 7 0A 48 86,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.449 59.1 171.7 -78.1 134.4 35.2 53.2 16.0 13 435 A T E +A 6 0A 54 -7,-2.8 -7,-2.7 -2,-0.2 3,-0.0 -0.826 55.8 37.8-126.8 173.1 38.5 52.6 17.8 14 436 A N S S+ 0 0 115 -2,-0.3 -10,-0.4 -9,-0.2 2,-0.2 0.910 87.8 113.7 54.6 49.0 41.7 54.7 18.3 15 437 A W - 0 0 32 -3,-0.1 2,-0.2 -10,-0.1 -1,-0.1 -0.733 40.5-179.9-156.7 94.5 39.7 57.9 18.7 16 438 A T > - 0 0 72 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.531 43.2-109.4 -92.2 165.3 39.5 59.9 21.9 17 439 A Y H > S+ 0 0 54 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.907 120.6 57.9 -59.2 -39.3 37.6 63.1 22.5 18 440 A Q H > S+ 0 0 162 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 107.5 46.8 -58.2 -42.3 41.0 64.9 22.6 19 441 A E H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 113.0 48.7 -65.5 -43.9 41.8 63.7 19.1 20 442 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.931 108.9 53.2 -59.0 -44.6 38.3 64.6 17.8 21 443 A E H X S+ 0 0 62 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.902 108.7 49.5 -63.3 -39.1 38.6 68.1 19.3 22 444 A A H X S+ 0 0 57 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.900 112.7 47.6 -63.1 -41.6 42.0 68.7 17.6 23 445 A T H X S+ 0 0 37 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.918 110.7 52.1 -65.6 -41.7 40.5 67.5 14.2 24 446 A H H X S+ 0 0 19 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.925 109.7 49.2 -58.4 -46.9 37.4 69.8 14.8 25 447 A Q H X S+ 0 0 61 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.904 110.1 50.8 -63.7 -38.5 39.7 72.8 15.4 26 448 A A H X S+ 0 0 43 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.924 110.9 49.2 -62.1 -43.6 41.7 72.1 12.2 27 449 A L H <>S+ 0 0 19 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.905 108.9 53.5 -61.1 -41.0 38.5 71.9 10.3 28 450 A T H ><5S+ 0 0 64 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.919 107.7 49.5 -59.7 -45.3 37.4 75.2 11.8 29 451 A R H 3<5S+ 0 0 182 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.847 106.4 56.9 -64.9 -31.8 40.6 76.9 10.7 30 452 A E T 3<5S- 0 0 152 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.370 124.6-104.3 -78.0 1.9 40.1 75.5 7.2 31 453 A G T < 5S+ 0 0 9 -3,-1.7 76,-2.9 1,-0.3 2,-0.3 0.679 73.8 138.6 86.1 19.9 36.7 77.2 7.0 32 454 A Y E < -B 106 0B 67 -5,-2.5 2,-0.4 74,-0.2 -1,-0.3 -0.676 35.5-155.6 -92.5 155.9 34.4 74.2 7.6 33 455 A V E -B 105 0B 42 72,-2.6 72,-2.4 -2,-0.3 2,-0.2 -0.995 19.6-117.1-135.1 131.8 31.3 74.2 9.8 34 456 A F E +B 104 0B 13 -2,-0.4 70,-0.2 70,-0.2 3,-0.1 -0.453 32.7 171.4 -65.6 134.2 29.6 71.3 11.6 35 457 A V E - 0 0 0 68,-3.0 2,-0.3 1,-0.4 69,-0.2 0.525 52.7 -52.1-123.4 -12.2 26.0 70.8 10.4 36 458 A G E -B 103 0B 0 67,-1.0 67,-2.9 32,-0.1 -1,-0.4 -0.870 54.0 -74.6 160.7 172.4 24.9 67.5 12.0 37 459 A Y E -BC 102 67B 6 30,-3.0 30,-2.0 -2,-0.3 2,-0.4 -0.708 29.4-160.2 -91.8 146.3 25.4 63.8 12.8 38 460 A H E -B 101 0B 31 63,-2.5 63,-2.7 -2,-0.3 2,-0.4 -0.993 8.7-161.0-126.1 121.6 24.9 61.0 10.2 39 461 A G E +B 100 0B 6 -2,-0.4 2,-0.3 61,-0.2 61,-0.2 -0.845 25.6 138.7-102.5 137.9 24.5 57.5 11.6 40 462 A T E -B 99 0B 21 59,-2.1 59,-2.7 -2,-0.4 134,-0.2 -0.930 52.3 -66.7-158.6 179.7 25.0 54.4 9.5 41 463 A N > - 0 0 48 37,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.329 52.6-105.4 -72.2 164.9 26.4 50.9 9.4 42 464 A H H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.797 116.7 51.0 -68.2 -28.8 30.2 50.4 9.7 43 465 A V H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.963 113.1 43.4 -70.8 -52.3 30.8 49.5 6.1 44 466 A A H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.858 109.4 60.7 -59.7 -35.2 28.9 52.6 4.7 45 467 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 102.5 49.9 -62.0 -43.6 30.6 54.7 7.3 46 468 A Q H X S+ 0 0 71 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.923 110.1 51.2 -60.1 -42.6 34.1 53.9 6.0 47 469 A T H X S+ 0 0 86 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.924 111.1 47.7 -59.1 -45.6 32.9 54.8 2.5 48 470 A I H < S+ 0 0 28 -4,-2.3 118,-0.4 1,-0.2 -1,-0.2 0.902 109.6 51.8 -68.1 -40.5 31.6 58.1 3.6 49 471 A V H < S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 117,-0.2 0.891 110.0 52.0 -62.5 -37.1 34.7 59.0 5.6 50 472 A N H < S- 0 0 120 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.959 136.2 -29.8 -61.5 -51.3 36.7 58.2 2.4 51 473 A R < - 0 0 180 -4,-2.3 2,-0.5 -5,-0.1 -1,-0.3 -0.862 58.6-121.3-170.5 128.9 34.6 60.5 0.2 52 474 A I + 0 0 9 112,-0.4 -4,-0.1 -2,-0.3 112,-0.1 -0.687 46.6 158.0 -77.9 123.3 31.0 61.6 0.2 53 475 A A - 0 0 35 -2,-0.5 -2,-0.1 0, 0.0 105,-0.0 -0.985 49.2 -86.0-144.6 149.0 29.4 60.5 -3.1 54 476 A P 0 0 80 0, 0.0 10,-0.0 0, 0.0 8,-0.0 -0.362 360.0 360.0 -61.7 138.6 25.8 60.0 -4.1 55 477 A V 0 0 178 8,-0.1 -3,-0.0 -2,-0.0 0, 0.0 0.918 360.0 360.0 -65.1 360.0 24.6 56.4 -3.3 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 57 485 A N > 0 0 142 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.1 9.8 59.2 -3.1 58 486 A E T 4 + 0 0 181 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.746 360.0 45.2 -60.5 -22.4 13.2 58.1 -1.9 59 487 A E T >4 S+ 0 0 170 2,-0.2 3,-1.7 1,-0.1 -1,-0.2 0.867 109.1 51.5 -86.4 -46.1 14.7 59.7 -5.1 60 488 A K T 34 S+ 0 0 77 1,-0.3 77,-0.3 76,-0.1 -2,-0.2 0.889 118.1 41.7 -54.7 -40.4 12.7 63.0 -5.0 61 489 A W T 3< S+ 0 0 29 -4,-2.3 -1,-0.3 75,-0.1 -2,-0.2 0.048 90.5 144.4 -97.6 25.0 14.0 63.3 -1.4 62 490 A G < + 0 0 14 -3,-1.7 75,-0.4 -5,-0.1 2,-0.3 -0.318 21.0 88.8 -70.0 145.3 17.5 62.1 -2.2 63 491 A G S S- 0 0 12 94,-0.2 2,-0.6 73,-0.1 94,-0.2 -0.918 81.7 -54.5 157.8-175.2 20.5 63.6 -0.5 64 492 A L E -E 156 0C 6 92,-2.5 92,-2.7 -2,-0.3 2,-0.4 -0.839 54.2-145.9 -93.4 119.7 22.8 63.1 2.6 65 493 A Y E +E 155 0C 85 -2,-0.6 2,-0.3 90,-0.2 90,-0.2 -0.744 25.5 165.5 -92.0 129.8 20.6 63.1 5.7 66 494 A V E -E 154 0C 6 88,-2.7 88,-2.8 -2,-0.4 2,-0.4 -0.909 19.1-152.9-134.2 166.6 22.0 64.5 9.0 67 495 A A B -C 37 0B 2 -30,-2.0 -30,-3.0 -2,-0.3 6,-0.1 -0.998 16.4-150.9-140.1 139.2 20.5 65.6 12.4 68 496 A T S S+ 0 0 26 -2,-0.4 2,-0.8 -32,-0.2 -1,-0.1 0.779 90.4 73.9 -79.1 -20.8 21.6 68.1 14.9 69 497 A H S >> S- 0 0 81 83,-0.4 3,-1.7 1,-0.2 4,-0.9 -0.820 80.9-149.0 -91.2 111.3 20.0 66.0 17.7 70 498 A A H 3> S+ 0 0 6 -2,-0.8 4,-2.6 1,-0.3 3,-0.2 0.818 90.2 63.6 -54.4 -37.2 22.5 63.1 18.0 71 499 A E H 3> S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.826 96.7 58.2 -59.7 -32.1 19.8 60.6 19.0 72 500 A V H <4 S+ 0 0 32 -3,-1.7 4,-0.4 1,-0.2 3,-0.3 0.959 111.7 40.7 -61.9 -48.3 18.0 61.0 15.6 73 501 A A H >< S+ 0 0 6 -4,-0.9 3,-1.7 -3,-0.2 4,-0.4 0.883 108.7 61.4 -66.3 -36.2 21.2 59.9 13.8 74 502 A H H >< S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.847 92.6 65.4 -63.0 -31.4 21.9 57.1 16.4 75 503 A G T 3< S+ 0 0 27 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.746 109.0 40.1 -59.9 -21.9 18.6 55.4 15.5 76 504 A Y T < S+ 0 0 164 -3,-1.7 2,-2.1 -4,-0.4 -1,-0.3 0.404 84.5 103.2-102.4 -4.0 20.2 54.8 12.1 77 505 A A S < S+ 0 0 0 -3,-1.3 97,-2.0 -4,-0.4 21,-0.9 -0.402 72.9 69.4 -83.1 62.3 23.7 53.9 13.2 78 506 A R S S- 0 0 43 -2,-2.1 -37,-0.3 19,-0.2 2,-0.3 -0.985 90.4 -88.5-166.3 155.2 23.2 50.1 12.7 79 507 A I - 0 0 34 -2,-0.3 3,-0.1 14,-0.2 19,-0.1 -0.592 37.1-167.7 -66.8 139.7 22.8 47.3 10.3 80 508 A K + 0 0 152 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.529 61.5 48.8-114.4 -8.3 19.1 47.0 9.7 81 509 A E - 0 0 135 7,-0.0 2,-0.3 12,-0.0 -1,-0.2 -0.999 69.2-137.8-136.9 133.2 18.7 43.7 7.8 82 510 A G - 0 0 13 5,-0.6 6,-0.0 -2,-0.4 4,-0.0 -0.630 7.2-156.7 -83.5 148.4 20.1 40.3 8.6 83 511 A T + 0 0 105 -2,-0.3 3,-0.1 4,-0.1 -1,-0.1 0.364 58.4 103.2-110.0 4.5 21.4 38.3 5.6 84 512 A G S > S- 0 0 27 4,-2.1 3,-1.9 1,-0.2 6,-0.1 -0.152 89.8 -60.0 -76.7 176.8 21.0 34.8 7.1 85 513 A E G > S+ 0 0 142 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.324 127.5 12.0 -61.7 141.8 18.3 32.4 6.1 86 514 A Y G 3 S- 0 0 208 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.637 132.1 -71.8 63.7 18.0 14.8 33.7 6.9 87 515 A G G < S+ 0 0 41 -3,-1.9 -5,-0.6 1,-0.3 -1,-0.3 0.694 88.1 151.8 72.2 22.0 16.4 37.1 7.5 88 516 A L < - 0 0 113 -3,-1.6 -4,-2.1 -7,-0.1 -1,-0.3 -0.617 50.2-112.4 -73.4 142.0 18.1 36.1 10.7 89 517 A P - 0 0 22 0, 0.0 -7,-0.1 0, 0.0 2,-0.1 -0.447 28.8-119.5 -70.3 150.4 21.2 38.2 11.3 90 518 A T > - 0 0 56 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.387 32.5-100.0 -73.6 170.7 24.5 36.2 11.2 91 519 A R H > S+ 0 0 167 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 127.0 52.1 -56.9 -44.1 26.7 36.2 14.3 92 520 A A H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.896 108.3 51.3 -57.9 -44.9 28.9 38.9 12.7 93 521 A E H 4 S+ 0 0 28 2,-0.2 83,-0.5 1,-0.2 -1,-0.2 0.877 110.8 47.5 -60.2 -41.0 25.8 41.0 12.1 94 522 A R H < S+ 0 0 105 -4,-2.3 83,-0.3 1,-0.2 -2,-0.2 0.878 114.3 47.4 -68.0 -35.9 24.6 40.7 15.7 95 523 A D H < S+ 0 0 60 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.652 92.7 101.8 -82.9 -15.2 28.0 41.6 17.0 96 524 A A < - 0 0 5 -4,-1.3 2,-0.4 -5,-0.2 80,-0.4 -0.180 55.4-154.9 -64.7 157.2 28.5 44.6 14.7 97 525 A R - 0 0 88 -88,-2.5 -86,-0.4 -89,-0.2 78,-0.2 -0.995 13.2-130.5-130.4 141.3 28.1 48.2 15.8 98 526 A G - 0 0 2 76,-2.4 75,-0.6 -21,-0.9 2,-0.4 -0.056 23.4-113.4 -76.3-172.3 27.3 51.1 13.6 99 527 A V E -BD 40 172B 1 -59,-2.7 -59,-2.1 -88,-0.1 2,-0.5 -0.984 7.0-144.3-134.3 135.5 29.1 54.4 13.4 100 528 A M E -B 39 0B 1 71,-0.5 69,-2.8 -2,-0.4 2,-0.3 -0.889 26.3-166.6 -95.4 125.5 28.1 58.0 14.3 101 529 A L E -BD 38 168B 0 -63,-2.7 -63,-2.5 -2,-0.5 2,-0.5 -0.846 16.1-138.4-113.2 151.1 29.7 60.5 11.8 102 530 A R E -BD 37 167B 0 65,-3.3 65,-2.2 -2,-0.3 2,-0.5 -0.937 19.7-150.3-106.8 126.8 30.0 64.3 12.1 103 531 A V E -BD 36 166B 0 -67,-2.9 -68,-3.0 -2,-0.5 -67,-1.0 -0.890 12.7-173.0-107.5 132.4 29.4 66.2 8.8 104 532 A Y E -BD 34 165B 0 61,-2.8 61,-2.3 -2,-0.5 -70,-0.2 -0.940 3.8-165.0-122.3 139.6 31.0 69.5 8.0 105 533 A I E -B 33 0B 0 -72,-2.4 -72,-2.6 -2,-0.4 59,-0.1 -0.882 35.9 -94.8-117.9 154.2 30.4 71.8 5.0 106 534 A P E > -B 32 0B 37 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.448 41.1-117.4 -60.5 144.7 32.5 74.8 3.7 107 535 A R G > S+ 0 0 171 -76,-2.9 3,-1.9 1,-0.3 4,-0.3 0.821 111.4 64.3 -59.5 -33.0 31.2 77.9 5.3 108 536 A A G > S+ 0 0 70 1,-0.3 3,-1.6 -77,-0.2 -1,-0.3 0.817 90.2 67.6 -60.8 -26.8 30.2 79.4 2.0 109 537 A S G X S+ 0 0 10 -3,-1.9 3,-1.7 1,-0.3 -1,-0.3 0.676 79.2 79.9 -67.4 -15.7 27.6 76.6 1.6 110 538 A L G X S+ 0 0 26 -3,-1.9 3,-1.6 -4,-0.4 -1,-0.3 0.740 75.2 76.2 -62.1 -21.4 25.6 78.1 4.5 111 539 A E G < S+ 0 0 138 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.756 104.1 35.1 -60.6 -24.8 24.2 80.6 2.0 112 540 A R G < S+ 0 0 73 -3,-1.7 29,-2.4 -4,-0.2 2,-0.7 -0.154 86.6 115.9-122.6 41.2 22.0 77.9 0.7 113 541 A F E < -f 141 0C 0 -3,-1.6 86,-2.5 27,-0.2 29,-0.2 -0.866 48.6-176.2-115.1 91.9 21.3 76.1 4.0 114 542 A Y E -fg 142 199C 47 27,-2.6 29,-2.1 -2,-0.7 2,-0.3 -0.520 14.6-166.8 -97.5 157.8 17.5 76.6 4.5 115 543 A R E -f 143 0C 35 84,-2.0 2,-0.3 27,-0.2 29,-0.2 -0.996 3.2-174.4-141.5 148.6 15.1 75.7 7.3 116 544 A T - 0 0 10 27,-2.3 4,-0.1 -2,-0.3 7,-0.0 -0.951 28.4-139.2-132.2 151.3 11.3 75.5 7.7 117 545 A N S S+ 0 0 114 -2,-0.3 27,-0.1 27,-0.2 -1,-0.0 0.529 79.5 99.8 -81.3 -10.2 9.0 74.8 10.6 118 546 A T S S- 0 0 58 1,-0.1 -2,-0.2 5,-0.1 5,-0.1 -0.641 92.8-102.0 -74.4 131.7 6.8 72.7 8.4 119 547 A P > - 0 0 23 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.310 35.8-122.7 -50.6 130.9 7.4 69.0 8.7 120 548 A L G > S+ 0 0 2 25,-2.2 3,-1.9 1,-0.3 4,-0.2 0.835 108.2 62.3 -56.2 -39.5 9.5 68.2 5.6 121 549 A E G 3 S+ 0 0 148 24,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.751 112.5 39.4 -52.8 -26.1 7.2 65.5 4.3 122 550 A N G < S+ 0 0 124 -3,-2.4 -1,-0.3 1,-0.1 3,-0.2 0.321 101.4 76.4-106.0 6.3 4.6 68.3 4.0 123 551 A A <> + 0 0 1 -3,-1.9 4,-3.2 -4,-0.3 5,-0.2 0.240 51.6 112.4-105.6 11.8 6.9 71.1 2.8 124 552 A E H > S+ 0 0 67 -3,-0.2 4,-2.8 1,-0.2 5,-0.2 0.886 81.1 48.5 -56.3 -43.6 7.5 70.2 -0.9 125 553 A E H > S+ 0 0 168 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.946 114.8 45.3 -63.2 -46.8 5.7 73.3 -2.3 126 554 A H H > S+ 0 0 87 2,-0.2 4,-2.4 -4,-0.2 -2,-0.2 0.931 113.6 49.5 -58.1 -49.6 7.5 75.6 0.1 127 555 A I H X S+ 0 0 1 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.926 111.0 49.1 -57.9 -46.0 10.9 74.0 -0.6 128 556 A T H X>S+ 0 0 36 -4,-2.8 4,-1.7 -5,-0.2 5,-0.7 0.885 111.3 50.0 -64.3 -35.8 10.4 74.3 -4.4 129 557 A Q H <5S+ 0 0 169 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.891 114.0 46.2 -67.1 -38.8 9.3 78.0 -4.0 130 558 A V H <5S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 119.5 37.2 -72.3 -45.0 12.5 78.7 -1.9 131 559 A I H <5S- 0 0 21 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.663 103.1-129.1 -84.2 -15.1 15.0 76.8 -4.2 132 560 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.660 76.3 61.5 78.9 18.4 13.3 77.9 -7.5 133 561 A H S S- 0 0 49 4,-0.3 3,-2.5 -27,-0.1 2,-0.2 -0.920 102.7 -64.7-155.9 169.3 7.4 64.7 11.6 148 576 A A T 3 S+ 0 0 85 1,-0.3 3,-0.1 -2,-0.3 -30,-0.1 -0.442 128.7 11.5 -64.0 129.5 5.1 67.1 13.5 149 577 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.432 110.4 126.1 82.8 -0.9 6.3 67.5 17.0 150 578 A G < - 0 0 23 -3,-2.5 -1,-0.3 1,-0.2 3,-0.1 -0.349 67.0 -96.6 -89.1 165.2 9.6 65.7 15.9 151 579 A E - 0 0 99 1,-0.1 -5,-3.1 -6,-0.1 -4,-0.3 -0.260 53.9 -86.9 -67.2 162.7 13.2 66.7 16.0 152 580 A D E - H 0 145C 17 -7,-0.3 -83,-0.4 -6,-0.1 2,-0.3 -0.388 37.5-168.4 -68.0 151.2 14.8 68.3 13.0 153 581 A E E - H 0 144C 34 -9,-2.4 -9,-2.0 -86,-0.1 2,-0.4 -0.959 9.2-149.1-128.7 156.5 16.4 66.4 10.0 154 582 A T E -EH 66 143C 0 -88,-2.8 -88,-2.7 -2,-0.3 2,-0.6 -0.995 2.0-159.2-125.9 126.9 18.5 68.0 7.3 155 583 A V E -EH 65 142C 1 -13,-2.8 -13,-2.4 -2,-0.4 2,-0.7 -0.937 9.7-159.6-103.5 117.4 18.6 66.8 3.8 156 584 A I E -EH 64 141C 0 -92,-2.7 -92,-2.5 -2,-0.6 -15,-0.2 -0.857 22.4-124.1 -97.3 114.0 21.9 68.0 2.1 157 585 A G >> - 0 0 0 -17,-2.5 4,-2.9 -2,-0.7 3,-1.3 -0.267 22.6-115.8 -56.1 146.0 21.4 67.9 -1.8 158 586 A W H 3> S+ 0 0 55 -21,-0.5 4,-2.3 1,-0.3 5,-0.2 0.861 113.3 60.1 -54.8 -38.3 24.1 65.7 -3.4 159 587 A D H 34 S+ 0 0 86 -22,-0.3 -20,-0.3 -21,-0.3 -1,-0.3 0.770 115.9 36.0 -63.6 -26.1 25.6 68.7 -5.4 160 588 A M H X4 S+ 0 0 1 -3,-1.3 3,-2.1 -22,-1.0 -2,-0.2 0.841 112.1 59.2 -86.1 -44.1 26.3 70.3 -2.0 161 589 A A H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 -2,-0.2 0.810 92.4 66.7 -61.6 -29.0 27.1 67.1 -0.1 162 590 A I T 3< S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -110,-0.2 0.661 100.5 52.5 -67.5 -12.7 30.1 66.2 -2.4 163 591 A H T < S+ 0 0 94 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.400 96.0 94.1 -95.9 -2.1 31.8 69.3 -1.0 164 592 A A < - 0 0 11 -3,-2.0 -112,-0.4 -4,-0.2 2,-0.4 -0.394 64.1-142.5 -85.4 169.4 31.3 68.1 2.6 165 593 A V E -D 104 0B 43 -61,-2.3 -61,-2.8 -2,-0.1 2,-0.4 -0.983 7.8-155.5-131.2 140.6 33.6 66.1 4.9 166 594 A A E +D 103 0B 6 -118,-0.4 -63,-0.2 -2,-0.4 -65,-0.0 -0.965 13.2 175.7-119.3 134.6 32.7 63.4 7.4 167 595 A I E -D 102 0B 22 -65,-2.2 -65,-3.3 -2,-0.4 -2,-0.0 -0.972 37.6 -94.2-130.6 147.2 34.7 62.4 10.5 168 596 A P E -D 101 0B 8 0, 0.0 -67,-0.3 0, 0.0 2,-0.2 -0.305 31.7-139.7 -60.3 143.2 33.8 60.0 13.2 169 597 A S E - 0 0 2 -69,-2.8 -69,-0.2 2,-0.2 -157,-0.1 -0.490 16.9-126.7 -83.0 167.3 32.2 61.0 16.4 170 598 A T E S+ 0 0 36 -2,-0.2 -153,-0.1 15,-0.2 16,-0.1 0.460 80.2 108.5 -91.3 -4.6 33.2 59.6 19.8 171 599 A I E S- 0 0 4 14,-0.1 -71,-0.5 -71,-0.1 -2,-0.2 -0.598 79.5-115.9 -71.9 122.9 29.5 58.7 20.4 172 600 A P E -D 99 0B 65 0, 0.0 10,-0.3 0, 0.0 -73,-0.1 -0.225 29.6-114.2 -60.2 151.7 29.2 54.9 20.2 173 601 A G - 0 0 14 -75,-0.6 -95,-0.1 1,-0.1 -74,-0.1 -0.062 24.5-111.7 -74.8 176.8 27.1 53.5 17.4 174 602 A N - 0 0 5 -97,-2.0 -76,-2.4 -134,-0.2 2,-0.3 -0.199 29.3-134.2 -94.5-166.8 23.8 51.5 17.6 175 603 A A - 0 0 2 -78,-0.2 4,-0.1 -97,-0.1 -78,-0.1 -0.939 30.6 -95.8-147.9 167.6 23.3 47.8 16.8 176 604 A Y S S+ 0 0 60 -83,-0.5 2,-0.7 -80,-0.4 -82,-0.1 0.912 125.7 49.4 -53.1 -45.9 21.0 45.4 15.0 177 605 A E S S- 0 0 142 -83,-0.3 -1,-0.2 -3,-0.1 0, 0.0 -0.891 115.5-110.4 -92.5 114.4 19.4 44.9 18.4 178 606 A E - 0 0 131 -2,-0.7 2,-0.3 -4,-0.1 -2,-0.1 -0.089 34.9-167.7 -65.6 144.0 18.9 48.4 19.5 179 607 A L - 0 0 80 -4,-0.1 2,-0.2 -104,-0.0 -4,-0.1 -0.900 28.1-103.5-125.3 149.9 20.9 50.1 22.3 180 608 A A - 0 0 100 -2,-0.3 -109,-0.0 1,-0.1 3,-0.0 -0.500 44.5-100.8 -74.2 144.6 20.3 53.4 24.1 181 609 A I - 0 0 14 -2,-0.2 2,-1.0 1,-0.1 3,-0.1 -0.267 32.6-111.6 -61.8 149.2 22.6 56.3 23.2 182 610 A D > - 0 0 66 -10,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.745 31.1-171.5 -84.7 98.2 25.5 57.2 25.5 183 611 A E H > S+ 0 0 124 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.835 81.9 61.1 -64.7 -32.4 24.4 60.5 26.9 184 612 A E H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 107.0 45.9 -60.3 -40.0 27.8 61.1 28.6 185 613 A A H > S+ 0 0 13 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.892 110.4 52.7 -73.8 -35.3 29.4 61.0 25.1 186 614 A V H X S+ 0 0 35 -4,-1.8 4,-0.7 1,-0.2 3,-0.2 0.953 111.0 48.6 -59.0 -46.8 26.8 63.4 23.7 187 615 A A H >< S+ 0 0 61 -4,-2.9 3,-1.0 1,-0.2 4,-0.4 0.900 106.2 55.7 -61.3 -41.2 27.5 65.8 26.5 188 616 A K H 3< S+ 0 0 125 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.872 114.8 39.7 -62.1 -33.0 31.2 65.6 26.0 189 617 A E H >< S+ 0 0 0 -4,-1.6 3,-1.0 -3,-0.2 -1,-0.2 0.477 87.3 99.4 -90.0 -4.0 30.8 66.7 22.3 190 618 A Q G X< S+ 0 0 141 -3,-1.0 3,-2.1 -4,-0.7 -1,-0.2 0.877 75.9 56.2 -57.2 -43.3 28.0 69.3 22.9 191 619 A S G 3 S+ 0 0 93 -4,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.774 112.5 41.7 -65.0 -26.0 30.2 72.4 22.8 192 620 A I G < S+ 0 0 12 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.244 109.7 63.7 -99.8 13.9 31.6 71.5 19.3 193 621 A S < + 0 0 14 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 -0.021 64.5 144.8-132.1 33.3 28.2 70.4 18.0 194 622 A T - 0 0 101 -3,-0.3 -3,-0.0 1,-0.1 -160,-0.0 -0.306 59.6 -90.6 -70.0 157.2 25.9 73.5 18.0 195 623 A K - 0 0 133 1,-0.1 -1,-0.1 -127,-0.0 -160,-0.1 -0.364 42.5-122.1 -64.3 143.7 23.3 73.9 15.3 196 624 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.371 37.2 -88.6 -76.9 163.5 24.5 75.9 12.3 197 625 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 -0.493 46.2-149.5 -71.3 147.8 22.7 79.1 11.3 198 626 A Y - 0 0 44 -2,-0.1 2,-0.8 -3,-0.1 -84,-0.2 -0.870 18.5-123.0-118.3 151.3 19.8 78.6 8.8 199 627 A K B g 114 0C 111 -86,-2.5 -84,-2.0 -2,-0.3 -88,-0.0 -0.850 360.0 360.0 -87.9 108.5 18.2 80.7 6.1 200 628 A E 0 0 135 -2,-0.8 -1,-0.2 -86,-0.2 -83,-0.1 0.408 360.0 360.0-152.8 360.0 14.6 80.9 7.4