==== 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 3KI2 . COMPND 2 MOLECULE: CHOLIX TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR R.JORGENSEN,P.R.EDWARDS,A.R.MERRILL . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 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 16.7 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 . 14 7.1 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 19.2 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 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.3 47.9 60.4 10.1 2 424 A S + 0 0 112 1,-0.2 2,-1.1 0, 0.0 0, 0.0 0.865 360.0 63.6 -76.4 -38.2 48.4 59.1 13.6 3 425 A H S S+ 0 0 121 16,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.783 78.6 134.0 -84.4 99.8 45.3 60.6 15.1 4 426 A M - 0 0 102 -2,-1.1 2,-0.1 10,-0.4 9,-0.0 -0.940 55.8-124.3-157.8 121.8 42.8 58.7 13.0 5 427 A A - 0 0 12 -2,-0.3 2,-0.5 162,-0.1 9,-0.2 -0.394 22.5-147.7 -63.4 140.1 39.7 56.9 13.8 6 428 A V E -A 13 0A 70 7,-2.6 7,-2.6 -2,-0.1 2,-0.6 -0.980 8.1-146.2-113.5 120.2 39.6 53.2 12.7 7 429 A I E +A 12 0A 24 -2,-0.5 5,-0.2 5,-0.2 91,-0.0 -0.796 26.5 169.3 -88.9 121.1 36.2 52.0 11.8 8 430 A T E > -A 11 0A 36 3,-2.0 3,-2.3 -2,-0.6 88,-0.2 -0.755 52.9 -98.0-118.9 169.0 35.8 48.3 12.7 9 431 A P T 3 S+ 0 0 59 0, 0.0 87,-2.7 0, 0.0 33,-0.2 0.773 127.4 56.5 -58.7 -21.3 32.6 46.1 12.7 10 432 A Q T 3 S- 0 0 110 1,-0.4 2,-0.2 85,-0.3 87,-0.1 0.253 122.7-105.5 -92.1 13.0 32.5 46.8 16.4 11 433 A G E < -A 8 0A 4 -3,-2.3 -3,-2.0 85,-0.3 -1,-0.4 -0.505 65.5 -10.3 100.5-167.6 32.4 50.5 15.7 12 434 A V E +A 7 0A 45 85,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.440 60.6 175.7 -71.8 133.6 35.0 53.3 15.9 13 435 A T E +A 6 0A 54 -7,-2.6 -7,-2.6 -2,-0.2 3,-0.1 -0.856 56.7 35.6-126.3 168.7 38.3 52.6 17.8 14 436 A N S S+ 0 0 114 -2,-0.3 -10,-0.4 -9,-0.2 2,-0.2 0.919 88.0 113.6 57.2 49.3 41.4 54.7 18.3 15 437 A W - 0 0 33 -3,-0.2 2,-0.2 -10,-0.1 -1,-0.1 -0.744 40.8-178.6-157.3 98.4 39.4 58.0 18.6 16 438 A T > - 0 0 72 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.528 43.4-108.3 -96.4 163.9 39.2 60.0 21.8 17 439 A Y H > S+ 0 0 56 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.892 120.9 58.6 -55.7 -39.3 37.3 63.2 22.4 18 440 A Q H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 106.7 46.5 -57.9 -41.7 40.7 65.0 22.5 19 441 A E H > S+ 0 0 33 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.915 113.8 48.3 -67.3 -41.7 41.4 63.8 19.0 20 442 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.933 109.1 53.2 -62.4 -46.8 38.0 64.8 17.7 21 443 A E H X S+ 0 0 61 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.907 108.6 49.3 -61.5 -40.8 38.2 68.2 19.3 22 444 A A H X S+ 0 0 54 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.906 112.3 48.5 -63.7 -40.2 41.5 68.9 17.6 23 445 A T H X S+ 0 0 38 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.908 109.6 52.6 -62.0 -43.3 40.0 67.8 14.3 24 446 A H H X S+ 0 0 19 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.933 110.0 48.0 -57.7 -46.1 37.0 70.0 14.8 25 447 A Q H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.900 110.4 51.5 -67.7 -37.1 39.2 73.0 15.5 26 448 A A H X S+ 0 0 37 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.933 111.7 47.3 -61.6 -42.7 41.3 72.3 12.4 27 449 A L H <>S+ 0 0 21 -4,-2.7 5,-2.4 1,-0.2 4,-0.5 0.921 110.8 52.5 -63.6 -40.2 38.1 72.0 10.3 28 450 A T H ><5S+ 0 0 62 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.917 106.7 52.2 -58.5 -47.0 36.8 75.3 11.8 29 451 A R H 3<5S+ 0 0 177 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.0 53.8 -59.4 -37.0 40.0 77.1 11.0 30 452 A E T 3<5S- 0 0 148 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.516 125.5-100.6 -78.0 -7.0 39.7 75.9 7.3 31 453 A G T < 5S+ 0 0 8 -3,-1.4 75,-2.5 -4,-0.5 2,-0.2 0.594 75.1 138.1 100.5 12.1 36.1 77.4 7.1 32 454 A Y E < -B 105 0B 70 -5,-2.4 2,-0.4 73,-0.2 -1,-0.3 -0.597 35.7-155.4 -86.8 152.4 34.0 74.2 7.6 33 455 A V E -B 104 0B 41 71,-2.5 71,-2.4 -2,-0.2 2,-0.2 -0.992 18.9-117.2-131.8 132.4 30.9 74.4 9.8 34 456 A F E +B 103 0B 9 -2,-0.4 69,-0.3 69,-0.2 3,-0.1 -0.476 32.6 171.9 -65.2 132.8 29.2 71.4 11.6 35 457 A V E - 0 0 0 67,-3.0 2,-0.3 1,-0.4 68,-0.2 0.518 52.4 -55.8-121.8 -10.1 25.7 70.8 10.3 36 458 A G E -B 102 0B 0 66,-1.0 66,-2.9 31,-0.1 -1,-0.4 -0.876 54.0 -71.5 155.7 171.3 24.6 67.5 12.0 37 459 A Y E -BC 101 66B 6 29,-2.9 29,-2.1 -2,-0.3 2,-0.5 -0.721 28.7-159.3 -90.5 144.6 25.2 63.9 12.7 38 460 A H E -B 100 0B 30 62,-2.5 62,-2.7 -2,-0.3 2,-0.4 -0.984 10.0-161.6-123.8 118.3 24.7 61.1 10.2 39 461 A G E +B 99 0B 5 -2,-0.5 2,-0.3 60,-0.2 60,-0.2 -0.807 26.0 137.8 -98.1 138.4 24.2 57.6 11.7 40 462 A T E -B 98 0B 18 58,-2.3 58,-2.7 -2,-0.4 133,-0.2 -0.915 51.7 -68.6-159.1-176.1 24.8 54.5 9.6 41 463 A N > - 0 0 46 -2,-0.3 4,-2.3 36,-0.3 5,-0.2 -0.384 51.7-103.7 -79.5 167.8 26.3 51.0 9.6 42 464 A H H > S+ 0 0 36 54,-0.3 4,-1.3 1,-0.2 5,-0.1 0.787 117.0 51.2 -67.8 -26.4 30.0 50.4 9.7 43 465 A V H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.963 113.3 42.3 -73.5 -54.0 30.4 49.6 6.1 44 466 A A H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.859 110.0 60.7 -58.2 -35.7 28.6 52.6 4.7 45 467 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.911 102.6 49.9 -63.2 -41.6 30.4 54.8 7.3 46 468 A Q H X S+ 0 0 70 -4,-1.3 4,-2.0 -3,-0.2 -1,-0.2 0.923 110.6 51.0 -62.2 -41.1 33.8 53.9 5.9 47 469 A T H X S+ 0 0 89 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.937 111.8 46.5 -60.1 -44.7 32.6 54.8 2.4 48 470 A I H < S+ 0 0 26 -4,-2.4 117,-0.3 1,-0.2 -2,-0.2 0.883 110.2 52.0 -69.7 -38.8 31.3 58.2 3.5 49 471 A V H < S+ 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 116,-0.2 0.892 110.5 50.5 -63.9 -37.4 34.4 59.0 5.5 50 472 A N H < S- 0 0 121 -4,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.952 136.6 -26.3 -64.2 -50.4 36.4 58.2 2.4 51 473 A R < - 0 0 180 -4,-2.4 2,-0.5 -5,-0.1 -1,-0.3 -0.857 59.6-123.6-167.7 129.4 34.3 60.4 0.1 52 474 A I + 0 0 8 111,-0.4 -4,-0.1 -2,-0.3 111,-0.1 -0.676 48.4 149.0 -78.6 126.8 30.7 61.7 0.2 53 475 A A 0 0 39 -2,-0.5 -2,-0.1 107,-0.0 104,-0.0 -0.982 360.0 360.0-156.1 149.4 28.9 60.6 -3.0 54 476 A P 0 0 117 0, 0.0 9,-0.0 0, 0.0 7,-0.0 -0.296 360.0 360.0 -66.9 360.0 25.4 59.7 -4.1 55 ! 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 56 485 A N > 0 0 113 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.3 9.6 59.4 -3.1 57 486 A E T 4 + 0 0 162 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.807 360.0 43.1 -57.7 -32.7 13.1 58.2 -2.1 58 487 A E T >4 S+ 0 0 165 2,-0.2 3,-1.8 1,-0.1 -1,-0.2 0.902 111.8 51.4 -79.9 -47.5 14.5 59.8 -5.3 59 488 A K T 34 S+ 0 0 73 1,-0.3 77,-0.4 75,-0.1 -2,-0.2 0.874 118.0 40.8 -54.1 -41.3 12.5 63.0 -5.0 60 489 A W T 3< S+ 0 0 25 -4,-2.6 -1,-0.3 75,-0.1 -2,-0.2 0.104 90.8 143.5 -97.1 23.1 13.7 63.3 -1.4 61 490 A G < + 0 0 16 -3,-1.8 75,-0.4 -5,-0.1 2,-0.3 -0.305 20.2 90.7 -68.5 143.8 17.3 62.2 -2.2 62 491 A G S S- 0 0 12 94,-0.2 2,-0.7 73,-0.1 94,-0.2 -0.916 81.1 -55.7 161.2-176.6 20.3 63.6 -0.5 63 492 A L E -E 155 0C 6 92,-2.6 92,-2.6 -2,-0.3 2,-0.4 -0.834 55.1-146.8 -89.5 118.7 22.6 63.2 2.5 64 493 A Y E +E 154 0C 81 -2,-0.7 2,-0.3 90,-0.2 90,-0.2 -0.716 24.9 165.3 -90.6 133.4 20.4 63.1 5.7 65 494 A V E -E 153 0C 6 88,-2.6 88,-2.8 -2,-0.4 2,-0.4 -0.917 20.0-151.2-137.3 166.9 21.7 64.5 8.9 66 495 A A B -C 37 0B 3 -29,-2.1 -29,-2.9 -2,-0.3 6,-0.1 -0.998 14.8-151.3-139.7 138.1 20.2 65.5 12.3 67 496 A T S S+ 0 0 24 -2,-0.4 2,-0.8 -31,-0.2 -1,-0.1 0.794 89.4 73.8 -78.0 -22.9 21.4 68.1 14.8 68 497 A H S >> S- 0 0 83 83,-0.4 3,-1.5 1,-0.2 4,-1.0 -0.814 80.5-148.8 -90.4 111.2 19.8 66.0 17.6 69 498 A A H 3> S+ 0 0 5 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.818 90.3 63.2 -54.1 -38.2 22.2 63.1 18.0 70 499 A E H 3> S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.856 98.1 57.8 -58.5 -34.3 19.5 60.6 19.1 71 500 A V H <4 S+ 0 0 31 -3,-1.5 4,-0.5 1,-0.2 3,-0.4 0.959 110.7 41.6 -59.8 -49.5 17.8 61.0 15.7 72 501 A A H >< S+ 0 0 5 -4,-1.0 3,-1.6 1,-0.2 4,-0.4 0.882 107.9 61.8 -65.5 -34.8 21.0 59.9 13.9 73 502 A H H >< S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.831 92.3 65.5 -62.4 -30.9 21.6 57.2 16.4 74 503 A G T 3< S+ 0 0 31 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.787 108.0 41.3 -59.1 -25.2 18.4 55.5 15.4 75 504 A Y T < S+ 0 0 157 -3,-1.6 2,-2.1 -4,-0.5 -1,-0.3 0.438 85.6 101.0 -98.5 -4.0 19.9 54.9 12.0 76 505 A A S < S+ 0 0 0 -3,-1.2 97,-2.0 -4,-0.4 21,-0.8 -0.388 72.1 73.0 -86.6 64.4 23.4 53.9 13.2 77 506 A R S S- 0 0 47 -2,-2.1 -36,-0.3 19,-0.1 2,-0.3 -0.981 87.5 -96.0-165.9 151.1 22.9 50.2 12.8 78 507 A I - 0 0 31 -2,-0.3 3,-0.1 14,-0.2 19,-0.1 -0.596 36.1-172.6 -64.5 134.8 22.6 47.3 10.3 79 508 A K + 0 0 137 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.573 59.9 58.4-112.2 -11.6 18.8 46.9 9.8 80 509 A E - 0 0 126 7,-0.0 2,-0.2 12,-0.0 -1,-0.2 -0.973 68.8-142.8-124.9 128.7 18.7 43.7 7.8 81 510 A G - 0 0 14 5,-0.7 6,-0.1 -2,-0.4 -2,-0.0 -0.567 3.8-159.2 -76.8 148.1 20.0 40.3 8.6 82 511 A T + 0 0 105 -2,-0.2 3,-0.1 3,-0.1 -1,-0.1 0.380 59.6 98.6-111.0 2.7 21.5 38.3 5.7 83 512 A G S > S- 0 0 25 4,-2.2 3,-1.7 1,-0.2 6,-0.1 -0.075 91.3 -49.2 -79.2-176.7 21.3 34.8 7.3 84 513 A E G > S+ 0 0 140 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 -0.284 126.3 3.0 -59.2 135.7 18.5 32.3 6.6 85 514 A Y G 3 S- 0 0 212 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.678 131.7 -62.7 62.1 23.2 15.0 33.7 6.9 86 515 A G G < S+ 0 0 41 -3,-1.7 -5,-0.7 1,-0.3 -1,-0.3 0.514 93.3 148.4 79.9 8.4 16.3 37.2 7.5 87 516 A L < - 0 0 107 -3,-1.9 -4,-2.2 -5,-0.1 -1,-0.3 -0.458 52.6-111.6 -66.4 145.6 18.0 36.2 10.8 88 517 A P - 0 0 24 0, 0.0 -7,-0.1 0, 0.0 2,-0.1 -0.484 29.2-119.1 -71.7 149.5 21.2 38.3 11.4 89 518 A T > - 0 0 52 -2,-0.1 4,-2.3 -6,-0.1 5,-0.2 -0.403 32.4-101.0 -73.0 169.5 24.5 36.4 11.2 90 519 A R H > S+ 0 0 164 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 127.0 51.3 -57.9 -44.4 26.6 36.4 14.3 91 520 A A H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.890 108.6 51.9 -60.0 -40.8 28.8 39.1 12.8 92 521 A E H 4 S+ 0 0 27 2,-0.2 83,-0.5 1,-0.2 -14,-0.2 0.875 111.1 46.8 -62.5 -40.6 25.7 41.2 12.1 93 522 A R H < S+ 0 0 114 -4,-2.3 83,-0.3 1,-0.2 -2,-0.2 0.885 114.3 47.4 -66.5 -38.9 24.5 40.9 15.7 94 523 A D H < S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.658 92.7 101.7 -82.0 -13.0 27.9 41.7 17.0 95 524 A A < - 0 0 5 -4,-1.2 80,-0.4 -5,-0.2 2,-0.4 -0.187 55.8-154.6 -67.7 156.9 28.3 44.7 14.8 96 525 A R - 0 0 90 -87,-2.7 -85,-0.3 -88,-0.2 -54,-0.3 -0.977 15.4-125.3-127.1 145.5 27.9 48.3 16.0 97 526 A G - 0 0 1 76,-2.6 75,-0.7 -21,-0.8 2,-0.4 -0.098 23.3-116.5 -78.0-176.5 27.0 51.3 13.8 98 527 A V E -BD 40 171B 1 -58,-2.7 -58,-2.3 -87,-0.1 2,-0.5 -0.992 7.7-145.4-130.0 134.7 28.9 54.5 13.4 99 528 A M E -B 39 0B 1 71,-0.5 69,-3.0 -2,-0.4 2,-0.3 -0.904 24.4-166.2 -95.1 123.5 27.9 58.1 14.3 100 529 A L E -BD 38 167B 0 -62,-2.7 -62,-2.5 -2,-0.5 2,-0.5 -0.820 15.4-138.8-109.0 150.9 29.5 60.6 11.8 101 530 A R E -BD 37 166B 0 65,-3.4 65,-2.3 -2,-0.3 2,-0.5 -0.947 19.5-151.1-106.5 128.4 29.8 64.4 12.0 102 531 A V E -BD 36 165B 0 -66,-2.9 -67,-3.0 -2,-0.5 -66,-1.0 -0.880 12.9-174.7-110.4 133.2 29.1 66.3 8.8 103 532 A Y E -BD 34 164B 0 61,-2.7 61,-2.4 -2,-0.5 -69,-0.2 -0.953 4.5-163.3-123.9 141.9 30.7 69.6 8.0 104 533 A I E -B 33 0B 0 -71,-2.4 -71,-2.5 -2,-0.4 59,-0.1 -0.874 35.4 -93.9-120.0 153.8 30.1 71.9 5.0 105 534 A P E > -B 32 0B 39 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.424 41.4-118.9 -59.4 141.0 32.1 74.8 3.6 106 535 A R G > S+ 0 0 166 -75,-2.5 3,-1.9 1,-0.3 4,-0.3 0.804 109.8 67.2 -57.9 -32.4 30.7 78.0 5.2 107 536 A A G > S+ 0 0 71 1,-0.3 3,-1.6 -76,-0.2 -1,-0.3 0.825 89.8 66.4 -56.7 -30.2 29.7 79.4 1.9 108 537 A S G X S+ 0 0 8 -3,-1.9 3,-1.9 1,-0.3 -1,-0.3 0.665 78.8 80.5 -67.6 -15.5 27.1 76.7 1.6 109 538 A L G X S+ 0 0 26 -3,-1.9 3,-1.5 -4,-0.3 -1,-0.3 0.744 76.1 74.5 -62.2 -22.0 25.2 78.2 4.5 110 539 A E G < S+ 0 0 139 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.713 105.1 35.4 -62.5 -19.9 23.8 80.7 2.0 111 540 A R G < S+ 0 0 70 -3,-1.9 29,-2.4 -4,-0.1 2,-0.7 -0.133 86.8 114.3-124.6 38.6 21.5 77.9 0.7 112 541 A F E < -f 140 0C 0 -3,-1.5 86,-2.5 27,-0.2 29,-0.2 -0.869 49.3-176.8-116.9 93.6 20.9 76.1 4.0 113 542 A Y E -fg 141 198C 47 27,-2.6 29,-1.8 -2,-0.7 2,-0.3 -0.500 14.7-165.6 -99.6 159.1 17.1 76.5 4.5 114 543 A R E -f 142 0C 34 84,-2.1 2,-0.3 27,-0.2 29,-0.2 -0.997 3.4-173.4-142.6 147.6 14.7 75.6 7.3 115 544 A T - 0 0 10 27,-2.3 4,-0.1 -2,-0.3 7,-0.0 -0.958 26.8-141.1-129.5 152.6 11.0 75.4 7.6 116 545 A N S S+ 0 0 117 -2,-0.3 27,-0.1 27,-0.2 3,-0.1 0.516 78.8 98.8 -83.9 -9.4 8.7 74.8 10.7 117 546 A T S S- 0 0 61 1,-0.1 -2,-0.2 2,-0.1 5,-0.1 -0.646 96.9 -94.6 -75.6 135.8 6.4 72.7 8.4 118 547 A P > - 0 0 26 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.258 42.3-120.7 -51.9 131.4 7.1 69.0 8.7 119 548 A L G > S+ 0 0 2 25,-2.4 3,-2.0 1,-0.3 7,-0.1 0.857 107.5 53.4 -55.8 -43.3 9.4 68.3 5.9 120 549 A E G 3 S+ 0 0 125 24,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.620 111.6 48.7 -69.2 -9.1 7.4 65.8 3.9 121 550 A N G < S+ 0 0 122 -3,-2.4 -1,-0.3 1,-0.1 3,-0.2 0.274 97.8 73.2-104.0 8.5 4.4 68.2 3.9 122 551 A A <> + 0 0 2 -3,-2.0 4,-3.0 -4,-0.3 5,-0.2 0.183 53.7 118.6-110.8 17.5 6.5 71.2 2.8 123 552 A E H > S+ 0 0 66 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.882 78.6 47.6 -54.2 -46.2 7.2 70.3 -0.9 124 553 A E H > S+ 0 0 168 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 114.6 47.1 -63.7 -42.9 5.4 73.4 -2.3 125 554 A H H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.937 113.1 48.5 -58.7 -49.8 7.2 75.6 0.1 126 555 A I H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.926 112.3 47.8 -58.5 -46.9 10.6 74.0 -0.6 127 556 A T H X>S+ 0 0 37 -4,-2.7 4,-1.8 -5,-0.2 5,-0.7 0.895 111.5 51.1 -66.9 -34.1 10.2 74.2 -4.4 128 557 A Q H <5S+ 0 0 164 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.926 113.8 45.6 -64.6 -43.1 9.1 77.9 -4.1 129 558 A V H <5S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 118.9 38.6 -69.2 -44.0 12.2 78.6 -2.0 130 559 A I H <5S- 0 0 19 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.672 103.3-128.0 -86.5 -15.6 14.7 76.8 -4.2 131 560 A G T <5S+ 0 0 67 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.661 77.1 60.6 82.3 16.2 13.1 77.9 -7.5 132 561 A H S S- 0 0 48 4,-0.3 3,-2.8 -27,-0.1 -1,-0.2 -0.935 103.0 -68.2-158.6 163.3 7.1 64.8 11.7 147 576 A A T 3 S+ 0 0 84 1,-0.3 3,-0.1 -2,-0.3 -30,-0.1 -0.393 127.6 12.0 -61.3 133.2 4.8 67.3 13.5 148 577 A G T 3 S+ 0 0 92 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.414 110.7 120.8 81.4 -5.4 6.1 67.7 17.1 149 578 A G < - 0 0 24 -3,-2.8 -1,-0.3 1,-0.2 2,-0.0 -0.336 69.9 -91.0 -88.6 170.6 9.3 65.8 16.0 150 579 A E - 0 0 95 -6,-0.1 -5,-3.1 1,-0.1 -4,-0.3 -0.285 54.0 -90.6 -68.8 159.7 13.0 66.6 16.0 151 580 A D E - H 0 144C 15 -7,-0.3 -83,-0.4 -6,-0.1 2,-0.3 -0.397 34.8-167.4 -67.3 153.9 14.5 68.2 12.9 152 581 A E E - H 0 143C 33 -9,-2.4 -9,-2.1 -86,-0.1 2,-0.4 -0.964 9.6-147.9-131.2 156.8 16.1 66.4 10.0 153 582 A T E -EH 65 142C 0 -88,-2.8 -88,-2.6 -2,-0.3 2,-0.6 -0.989 2.5-158.5-124.7 126.1 18.2 68.0 7.3 154 583 A V E -EH 64 141C 1 -13,-3.0 -13,-2.3 -2,-0.4 2,-0.7 -0.940 10.3-160.2-102.6 117.4 18.4 66.8 3.7 155 584 A I E -EH 63 140C 0 -92,-2.6 -92,-2.6 -2,-0.6 -15,-0.2 -0.865 23.1-123.6 -97.1 114.1 21.6 68.0 2.1 156 585 A G >> - 0 0 0 -17,-2.6 4,-2.9 -2,-0.7 3,-1.1 -0.242 22.1-116.0 -56.4 146.5 21.2 68.0 -1.7 157 586 A W H 3> S+ 0 0 73 -21,-0.5 4,-2.1 1,-0.3 5,-0.2 0.863 113.1 58.8 -56.8 -36.9 23.9 65.8 -3.4 158 587 A D H 34 S+ 0 0 84 -21,-0.5 -1,-0.3 -22,-0.3 -20,-0.2 0.821 115.4 37.7 -64.1 -29.2 25.5 68.8 -5.3 159 588 A M H X4 S+ 0 0 0 -3,-1.1 3,-1.7 -22,-1.0 -2,-0.2 0.875 112.9 57.0 -80.3 -44.3 26.1 70.4 -1.9 160 589 A A H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.781 90.7 69.9 -66.3 -25.8 27.0 67.3 -0.0 161 590 A I T 3< S+ 0 0 81 -4,-2.1 -1,-0.3 1,-0.3 -109,-0.2 0.695 99.6 51.5 -68.1 -12.8 29.8 66.2 -2.3 162 591 A H T < S+ 0 0 103 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.373 94.4 100.5 -99.3 3.2 31.8 69.2 -0.9 163 592 A A < - 0 0 13 -3,-2.1 2,-0.4 -4,-0.1 -111,-0.4 -0.338 64.2-136.3 -84.5 168.3 31.2 68.1 2.7 164 593 A V E -D 103 0B 38 -61,-2.4 -61,-2.7 -113,-0.1 2,-0.5 -0.989 11.1-159.8-125.8 132.9 33.5 66.3 5.1 165 594 A A E +D 102 0B 6 -2,-0.4 -63,-0.2 -117,-0.3 -128,-0.0 -0.965 14.0 173.4-112.0 129.1 32.4 63.5 7.4 166 595 A I E -D 101 0B 19 -65,-2.3 -65,-3.4 -2,-0.5 -2,-0.0 -0.965 37.5 -94.3-129.3 148.8 34.4 62.6 10.5 167 596 A P E -D 100 0B 10 0, 0.0 -67,-0.3 0, 0.0 2,-0.2 -0.334 31.3-140.0 -62.3 142.5 33.6 60.1 13.2 168 597 A S E - 0 0 3 -69,-3.0 -69,-0.2 2,-0.2 -156,-0.1 -0.472 16.2-128.0 -81.0 165.3 31.9 61.1 16.4 169 598 A T E S+ 0 0 35 -2,-0.2 -152,-0.1 15,-0.2 16,-0.1 0.463 79.7 108.4 -91.0 -2.9 32.9 59.6 19.8 170 599 A I E S- 0 0 4 14,-0.1 -71,-0.5 -71,-0.1 -2,-0.2 -0.610 79.2-115.8 -72.8 123.9 29.2 58.8 20.4 171 600 A P E -D 98 0B 67 0, 0.0 10,-0.3 0, 0.0 -73,-0.1 -0.208 29.4-117.1 -58.8 148.7 28.9 55.0 20.1 172 601 A G - 0 0 11 -75,-0.7 -95,-0.1 1,-0.2 -74,-0.1 -0.084 23.8-110.4 -73.6 180.0 26.7 53.6 17.4 173 602 A N - 0 0 5 -97,-2.0 -76,-2.6 -133,-0.2 2,-0.3 -0.136 30.7-133.3 -96.2-164.4 23.5 51.6 17.7 174 603 A A - 0 0 2 -78,-0.2 4,-0.1 -97,-0.1 -78,-0.1 -0.957 30.2 -95.4-150.7 167.1 23.1 47.9 16.8 175 604 A Y S S+ 0 0 59 -83,-0.5 2,-0.7 -80,-0.4 -82,-0.1 0.893 125.6 48.8 -52.7 -46.2 20.8 45.5 15.0 176 605 A E S S- 0 0 150 -83,-0.3 -1,-0.2 -3,-0.1 -97,-0.0 -0.911 115.6-109.9 -93.8 115.2 19.2 44.9 18.4 177 606 A E - 0 0 132 -2,-0.7 2,-0.3 -4,-0.1 -2,-0.1 -0.096 35.5-169.3 -63.3 144.5 18.7 48.4 19.5 178 607 A L - 0 0 82 -4,-0.1 2,-0.2 3,-0.0 -4,-0.1 -0.922 28.7-104.5-126.0 148.1 20.6 50.1 22.3 179 608 A A - 0 0 100 -2,-0.3 -109,-0.0 1,-0.1 3,-0.0 -0.497 44.1-101.2 -71.8 144.8 20.0 53.4 24.0 180 609 A I - 0 0 16 -2,-0.2 2,-1.0 1,-0.1 3,-0.1 -0.252 32.3-111.9 -60.9 148.6 22.3 56.3 23.1 181 610 A D > - 0 0 67 -10,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.759 30.8-170.9 -84.5 98.9 25.1 57.2 25.5 182 611 A E H > S+ 0 0 121 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.805 82.3 61.6 -66.1 -29.0 24.0 60.6 26.8 183 612 A E H > S+ 0 0 149 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 105.7 46.6 -62.5 -39.3 27.3 61.2 28.5 184 613 A A H > S+ 0 0 12 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.893 110.3 53.0 -72.3 -35.3 29.0 61.0 25.1 185 614 A V H X S+ 0 0 34 -4,-1.8 4,-0.6 1,-0.2 3,-0.2 0.944 110.5 48.1 -58.9 -45.6 26.4 63.4 23.6 186 615 A A H >< S+ 0 0 58 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.898 105.9 57.4 -65.2 -38.3 27.1 65.8 26.4 187 616 A K H 3< S+ 0 0 119 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.880 114.2 38.6 -59.7 -36.9 30.9 65.6 25.9 188 617 A E H >< S+ 0 0 0 -4,-1.5 3,-1.3 -3,-0.2 -1,-0.3 0.465 88.2 100.8 -90.3 -3.9 30.4 66.7 22.3 189 618 A Q G X< S+ 0 0 143 -3,-1.0 3,-2.0 -4,-0.6 -1,-0.2 0.880 75.4 55.3 -55.3 -45.0 27.7 69.3 22.9 190 619 A S G 3 S+ 0 0 95 -4,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.731 112.9 42.1 -67.4 -19.8 29.9 72.4 22.8 191 620 A I G < S+ 0 0 10 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.223 108.7 64.1-104.7 16.5 31.3 71.6 19.3 192 621 A S < + 0 0 15 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.1 -0.042 64.9 147.2-132.8 30.3 27.9 70.4 17.9 193 622 A T - 0 0 99 -3,-0.3 -3,-0.0 1,-0.1 -159,-0.0 -0.319 58.0 -91.8 -65.1 152.7 25.7 73.5 18.0 194 623 A K - 0 0 134 1,-0.1 -1,-0.1 3,-0.0 -159,-0.1 -0.366 41.9-121.3 -62.2 142.3 23.0 73.9 15.3 195 624 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.362 37.4 -89.1 -74.3 164.9 24.2 75.9 12.2 196 625 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 -0.507 46.1-151.6 -72.0 147.2 22.4 79.0 11.2 197 626 A Y - 0 0 43 -2,-0.2 2,-0.8 -3,-0.1 -84,-0.2 -0.887 19.1-124.7-118.7 151.2 19.4 78.5 8.9 198 627 A K B g 113 0C 109 -86,-2.5 -84,-2.1 -2,-0.3 -88,-0.0 -0.846 360.0 360.0 -89.3 105.4 17.8 80.7 6.2 199 628 A E 0 0 130 -2,-0.8 -84,-0.1 -86,-0.2 -86,-0.0 -0.309 360.0 360.0-129.8 360.0 14.2 80.7 7.5