==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 11-AUG-03 1Q5Z . COMPND 2 MOLECULE: SIPA; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR C.E.STEBBINS,M.LILIC,V.E.GALKIN,A.ORLOVA,M.S.VANLOOCK, . 145 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 513 A P 0 0 147 0, 0.0 2,-0.2 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 -32.3 20.1 29.3 -4.9 2 514 A F > - 0 0 35 3,-0.1 3,-2.1 52,-0.0 49,-0.0 -0.384 360.0-177.4-113.1 55.5 17.1 31.6 -3.9 3 515 A S T 3 S+ 0 0 96 1,-0.3 48,-0.1 -2,-0.2 3,-0.1 -0.272 71.3 15.0 -57.4 128.3 17.0 34.0 -6.8 4 516 A G T 3 S+ 0 0 46 1,-0.3 2,-0.5 43,-0.1 -1,-0.3 0.524 84.8 159.4 85.5 6.2 14.4 36.6 -6.4 5 517 A L < + 0 0 31 -3,-2.1 2,-0.3 42,-0.1 -1,-0.3 -0.507 9.1 167.3 -69.9 117.2 13.9 35.9 -2.7 6 518 A K - 0 0 124 -2,-0.5 38,-2.9 38,-0.3 2,-0.3 -0.885 24.4-132.1-124.3 156.1 12.3 38.9 -1.0 7 519 A F B -A 43 0A 25 -2,-0.3 2,-0.7 36,-0.3 34,-0.1 -0.772 21.7-105.7-113.1 156.9 10.8 39.0 2.4 8 520 A K > - 0 0 84 34,-2.3 3,-2.0 -2,-0.3 34,-0.2 -0.714 46.4-114.7 -81.5 113.7 7.5 40.4 3.8 9 521 A Q T 3 S- 0 0 154 -2,-0.7 -1,-0.1 1,-0.3 31,-0.0 -0.165 91.3 -2.7 -50.1 133.7 8.4 43.6 5.6 10 522 A N T > S+ 0 0 69 1,-0.1 3,-1.6 2,-0.1 4,-0.4 0.619 81.6 145.1 57.3 19.5 7.7 43.5 9.4 11 523 A S T < S+ 0 0 19 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.683 72.3 49.3 -59.9 -16.6 6.4 39.9 9.2 12 524 A F T >> S+ 0 0 0 -4,-0.2 3,-1.8 1,-0.1 4,-0.7 0.513 81.1 95.2-100.4 -9.4 8.0 39.2 12.6 13 525 A L G X4 S+ 0 0 89 -3,-1.6 3,-1.4 1,-0.3 -2,-0.1 0.888 83.4 49.9 -52.5 -49.8 6.7 42.2 14.6 14 526 A S G 34 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.542 108.8 56.9 -68.6 -5.2 3.7 40.6 16.2 15 527 A T G <4 S+ 0 0 42 -3,-1.8 -1,-0.3 21,-0.1 -2,-0.2 0.550 77.7 104.1-102.3 -10.6 5.9 37.7 17.2 16 528 A V S << S- 0 0 39 -3,-1.4 17,-0.0 -4,-0.7 2,-0.0 -0.593 72.1-130.1 -74.5 123.1 8.4 39.7 19.2 17 529 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.315 17.8-109.5 -73.0 156.4 7.7 39.2 22.9 18 530 A S > - 0 0 54 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.409 30.5-111.2 -75.6 161.6 7.4 42.0 25.4 19 531 A V H > S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.881 121.6 56.8 -62.0 -34.7 10.2 42.5 27.9 20 532 A T H >4 S+ 0 0 113 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.931 106.0 48.3 -61.4 -45.6 7.6 41.4 30.6 21 533 A N H >4 S+ 0 0 83 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.906 106.7 58.0 -59.6 -42.1 7.0 38.1 28.6 22 534 A M H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 103.0 54.4 -59.9 -27.9 10.8 37.6 28.4 23 535 A H T << S+ 0 0 111 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.549 82.1 117.3 -83.5 -8.1 11.0 37.7 32.2 24 536 A S X - 0 0 55 -3,-1.7 3,-1.6 -4,-0.4 -3,-0.0 -0.309 69.7-132.4 -62.7 142.8 8.4 34.9 32.7 25 537 A M T 3 S+ 0 0 168 1,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.717 110.0 52.6 -67.0 -18.0 9.6 31.8 34.4 26 538 A H T 3 S+ 0 0 142 -5,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.384 82.4 115.8 -98.1 2.9 7.8 29.9 31.6 27 539 A F < - 0 0 39 -3,-1.6 2,-0.8 -6,-0.1 -5,-0.0 -0.586 52.6-155.6 -76.4 129.3 9.5 31.8 28.8 28 540 A D > - 0 0 103 -2,-0.4 4,-2.2 1,-0.2 5,-0.3 -0.888 8.2-170.0-105.4 101.7 11.8 29.7 26.5 29 541 A A H > S+ 0 0 13 -2,-0.8 4,-2.7 88,-0.2 5,-0.2 0.912 79.8 48.4 -60.1 -46.1 14.3 32.2 25.1 30 542 A R H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 115.6 40.9 -62.6 -54.1 15.9 29.9 22.5 31 543 A E H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 117.1 49.2 -63.2 -41.5 12.7 28.5 21.0 32 544 A T H X S+ 0 0 43 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.939 111.4 48.6 -63.8 -47.1 10.9 31.9 21.0 33 545 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.927 110.9 49.9 -59.1 -45.3 13.8 33.7 19.4 34 546 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.860 108.8 54.4 -62.7 -31.3 14.1 31.1 16.6 35 547 A G H X S+ 0 0 15 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.874 105.6 51.8 -68.4 -37.2 10.4 31.5 16.1 36 548 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 111.8 47.2 -63.0 -44.6 10.8 35.3 15.7 37 549 A I H X S+ 0 0 2 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.905 108.6 54.1 -66.3 -39.2 13.5 34.6 13.1 38 550 A R H >< S+ 0 0 50 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.944 110.2 47.1 -59.3 -45.7 11.4 32.0 11.3 39 551 A K H >< S+ 0 0 91 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.865 108.0 56.3 -62.1 -36.7 8.6 34.6 11.0 40 552 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.764 100.0 61.3 -65.7 -24.6 11.1 37.2 9.7 41 553 A L T << S+ 0 0 2 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.198 71.7 134.1 -89.6 17.3 12.0 34.8 7.0 42 554 A E < - 0 0 43 -3,-1.4 -34,-2.3 -34,-0.2 -31,-0.1 -0.537 59.8-119.4 -69.7 121.0 8.5 34.7 5.5 43 555 A P B -A 7 0A 10 0, 0.0 -36,-0.3 0, 0.0 2,-0.1 -0.316 21.7-114.8 -64.5 143.2 8.9 35.1 1.7 44 556 A D > - 0 0 45 -38,-2.9 3,-2.0 1,-0.1 -38,-0.3 -0.474 28.3-115.9 -71.7 146.8 7.2 38.1 0.0 45 557 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.1 7,-0.1 0.716 112.5 68.4 -60.1 -22.9 4.4 37.1 -2.3 46 558 A S T 3 S+ 0 0 72 2,-0.1 -1,-0.3 -39,-0.0 3,-0.1 0.583 75.0 112.4 -72.9 -10.2 6.3 38.4 -5.3 47 559 A T S < S- 0 0 0 -3,-2.0 5,-0.1 -41,-0.2 -42,-0.1 -0.472 85.4 -99.7 -65.8 127.8 8.9 35.6 -4.8 48 560 A P >> - 0 0 64 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.207 33.9-118.6 -49.5 135.0 8.8 33.1 -7.7 49 561 A F H 3> S+ 0 0 112 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.828 110.6 52.4 -45.1 -49.2 6.7 30.1 -6.6 50 562 A P H 3> S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.881 113.1 46.4 -58.3 -37.5 9.5 27.5 -6.9 51 563 A V H <> S+ 0 0 23 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.918 111.3 50.7 -71.0 -45.5 11.7 29.7 -4.7 52 564 A R H X S+ 0 0 75 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.928 111.4 48.6 -57.4 -48.3 9.0 30.3 -2.1 53 565 A R H X S+ 0 0 166 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.919 114.2 44.6 -59.8 -47.4 8.2 26.6 -1.9 54 566 A A H X S+ 0 0 53 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.919 115.5 46.9 -66.2 -44.0 11.9 25.6 -1.5 55 567 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.887 109.1 53.9 -66.7 -39.6 12.7 28.3 1.0 56 568 A D H X S+ 0 0 60 -4,-2.7 4,-2.1 -5,-0.3 5,-0.2 0.928 108.7 50.8 -60.0 -40.4 9.6 27.6 3.1 57 569 A G H X S+ 0 0 43 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.919 111.7 47.7 -62.4 -42.0 10.7 24.0 3.4 58 570 A L H X S+ 0 0 15 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.938 112.4 45.8 -66.0 -49.5 14.2 25.0 4.5 59 571 A R H X S+ 0 0 30 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.876 113.6 51.3 -64.8 -33.8 13.1 27.5 7.2 60 572 A A H < S+ 0 0 34 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.898 112.0 45.9 -68.7 -40.3 10.5 25.1 8.5 61 573 A E H < S+ 0 0 82 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 120.2 38.1 -70.3 -39.2 13.0 22.2 8.8 62 574 A I H < S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.776 128.7 33.0 -83.1 -24.0 15.8 24.3 10.4 63 575 A L S < S- 0 0 4 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.441 80.3-178.2-128.3 58.4 13.4 26.4 12.6 64 576 A P - 0 0 18 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.273 23.6-148.0 -60.0 143.1 10.5 24.1 13.5 65 577 A N S S+ 0 0 101 -5,-0.1 2,-0.3 4,-0.1 -30,-0.1 0.862 78.3 88.6 -78.1 -36.6 7.8 25.6 15.6 66 578 A D S > S- 0 0 75 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.454 73.2-148.2 -63.6 124.3 7.0 22.3 17.4 67 579 A T H > S+ 0 0 83 -2,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.768 95.7 56.1 -69.7 -25.7 9.4 22.1 20.4 68 580 A I H > S+ 0 0 130 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 112.0 43.9 -70.0 -42.1 9.7 18.4 20.3 69 581 A K H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.890 112.8 52.4 -66.8 -39.9 10.9 18.7 16.7 70 582 A S H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.920 110.7 47.5 -61.7 -43.5 13.2 21.6 17.6 71 583 A A H X S+ 0 0 55 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.882 109.7 53.0 -65.8 -37.1 14.7 19.6 20.4 72 584 A A H X S+ 0 0 55 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.882 110.0 48.0 -65.9 -38.1 15.2 16.6 18.1 73 585 A L H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 109.0 53.8 -68.1 -42.1 17.1 18.9 15.6 74 586 A K H X S+ 0 0 92 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.910 108.3 50.4 -57.7 -43.8 19.2 20.3 18.4 75 587 A A H >< S+ 0 0 64 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.914 110.7 48.4 -62.1 -45.2 20.2 16.8 19.5 76 588 A Q H >< S+ 0 0 87 -4,-1.9 3,-1.7 1,-0.2 6,-0.2 0.922 107.6 55.4 -61.1 -44.6 21.2 15.9 15.9 77 589 A C H >< S+ 0 0 7 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.594 85.4 80.1 -67.5 -10.3 23.2 19.0 15.5 78 590 A S T << S+ 0 0 107 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.713 108.1 31.5 -68.7 -17.1 25.3 18.3 18.6 79 591 A D T X S+ 0 0 86 -3,-1.7 3,-2.0 -4,-0.3 -1,-0.3 -0.491 81.0 160.5-133.7 59.0 27.2 16.0 16.2 80 592 A I G X + 0 0 21 -3,-1.3 3,-2.1 1,-0.3 7,-0.3 0.743 64.0 68.9 -56.2 -29.6 26.7 18.0 13.1 81 593 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.715 94.6 59.6 -65.4 -17.1 29.6 16.4 11.2 82 594 A K G < S+ 0 0 156 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.479 102.6 57.3 -85.4 -6.1 27.4 13.3 11.1 83 595 A H <> + 0 0 49 -3,-2.1 4,-2.4 -4,-0.2 -1,-0.2 -0.642 55.9 168.2-130.8 77.3 24.7 15.2 9.3 84 596 A P H > S+ 0 0 96 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.845 80.5 54.3 -54.6 -39.3 26.0 16.7 6.0 85 597 A E H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.902 110.6 44.3 -65.7 -42.6 22.5 17.5 4.8 86 598 A L H > S+ 0 0 13 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.898 113.0 52.6 -69.3 -38.0 21.6 19.5 7.9 87 599 A K H X S+ 0 0 68 -4,-2.4 4,-2.5 -7,-0.3 5,-0.2 0.943 110.0 47.5 -62.6 -46.8 25.0 21.2 7.8 88 600 A A H X S+ 0 0 51 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.922 113.4 49.0 -59.3 -43.6 24.5 22.3 4.2 89 601 A K H X S+ 0 0 46 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 110.8 49.2 -63.8 -43.6 21.0 23.5 5.1 90 602 A M H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.944 112.0 48.1 -62.1 -47.1 22.1 25.5 8.1 91 603 A E H X S+ 0 0 106 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.891 112.1 50.3 -62.4 -36.4 24.9 27.2 6.1 92 604 A T H X S+ 0 0 51 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.933 113.4 44.9 -66.4 -44.6 22.5 28.0 3.3 93 605 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.897 110.2 54.4 -66.7 -40.7 20.0 29.6 5.7 94 606 A K H X S+ 0 0 65 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.904 107.4 51.7 -59.3 -40.6 22.7 31.5 7.6 95 607 A E H X S+ 0 0 108 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.910 109.1 49.7 -63.2 -42.7 23.8 33.0 4.3 96 608 A V H >< S+ 0 0 20 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.931 108.6 54.1 -62.2 -42.8 20.2 34.1 3.5 97 609 A I H >< S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.868 97.9 63.0 -60.4 -36.6 20.0 35.6 7.0 98 610 A T H 3< S+ 0 0 34 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 108.2 43.3 -64.3 -15.2 23.2 37.7 6.4 99 611 A H T << S+ 0 0 130 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.263 79.6 137.4-112.6 10.6 21.4 39.6 3.6 100 612 A H X - 0 0 9 -3,-1.8 3,-1.8 -4,-0.2 4,-0.2 -0.350 56.0-134.8 -60.1 133.2 18.1 40.1 5.3 101 613 A P T 3 S+ 0 0 100 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.781 106.4 40.4 -61.3 -28.2 16.8 43.6 4.6 102 614 A Q T 3> S+ 0 0 40 1,-0.2 4,-2.3 -62,-0.1 3,-0.3 -0.004 76.7 124.1-108.1 28.4 15.8 44.0 8.3 103 615 A K H <> + 0 0 69 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.881 69.5 58.8 -53.7 -41.5 18.9 42.3 9.7 104 616 A E H > S+ 0 0 166 -3,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.930 109.1 43.2 -55.3 -47.9 19.8 45.4 11.8 105 617 A K H > S+ 0 0 88 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 112.6 52.6 -66.3 -40.6 16.5 45.3 13.6 106 618 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.875 108.9 50.9 -64.7 -36.0 16.6 41.5 14.0 107 619 A A H X S+ 0 0 14 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.899 108.4 51.3 -68.3 -38.2 20.1 41.8 15.6 108 620 A E H X S+ 0 0 112 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.906 110.7 49.2 -63.8 -38.8 18.8 44.5 18.0 109 621 A I H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.924 108.0 53.6 -66.1 -41.5 16.0 42.1 19.0 110 622 A A H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.905 108.9 49.7 -59.6 -39.2 18.6 39.3 19.5 111 623 A L H X S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.831 108.1 53.1 -70.3 -28.3 20.5 41.6 21.8 112 624 A Q H X S+ 0 0 56 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.921 108.9 48.6 -70.8 -42.1 17.3 42.4 23.7 113 625 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 6,-1.4 0.866 110.9 54.0 -62.5 -35.7 16.7 38.6 24.2 114 626 A A H X S+ 0 0 18 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.932 114.4 37.8 -63.9 -47.5 20.3 38.4 25.3 115 627 A R H < S+ 0 0 164 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.852 127.4 33.1 -74.4 -36.8 19.9 41.1 28.0 116 628 A E H < S+ 0 0 67 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.672 133.1 21.5 -95.7 -19.6 16.4 40.2 29.2 117 629 A A H < S- 0 0 21 -4,-2.1 -88,-0.2 -5,-0.3 -3,-0.2 0.246 97.6-111.6-136.1 12.8 16.3 36.4 28.8 118 630 A G >< + 0 0 22 -4,-0.9 3,-1.7 -5,-0.1 4,-0.2 0.725 56.2 156.2 63.8 26.8 19.8 35.1 28.7 119 631 A L T 3 S+ 0 0 10 -6,-1.4 3,-0.3 1,-0.3 -5,-0.2 0.835 77.7 33.1 -51.9 -39.0 19.7 34.0 25.1 120 632 A T T > S+ 0 0 25 1,-0.2 3,-2.2 -6,-0.1 -1,-0.3 0.185 80.7 117.6-106.3 17.7 23.5 34.2 24.7 121 633 A R T < S+ 0 0 176 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.713 71.7 58.3 -59.7 -23.0 24.5 33.2 28.2 122 634 A L T > S- 0 0 102 -3,-0.3 3,-2.7 -4,-0.2 -1,-0.3 0.446 85.9-171.7 -87.6 1.3 26.3 30.0 27.0 123 635 A K G X + 0 0 120 -3,-2.2 3,-2.0 1,-0.3 -1,-0.2 -0.119 69.8 1.8 46.7-127.2 28.6 32.2 24.8 124 636 A G G 3 S+ 0 0 46 1,-0.3 -1,-0.3 20,-0.2 -2,-0.1 0.671 130.1 63.7 -63.8 -15.0 30.7 30.0 22.6 125 637 A E G < S+ 0 0 165 -3,-2.7 -1,-0.3 19,-0.1 -2,-0.2 0.348 73.1 127.4 -90.2 6.4 29.1 26.9 23.9 126 638 A T S < S- 0 0 11 -3,-2.0 -6,-0.1 -4,-0.2 5,-0.0 -0.388 73.2 -90.8 -60.3 140.4 25.7 28.1 22.5 127 639 A D > - 0 0 30 1,-0.1 4,-2.9 4,-0.1 5,-0.2 -0.050 35.5-105.3 -57.1 158.4 24.3 25.3 20.4 128 640 A Y H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 113.9 44.9 -50.3 -55.9 24.9 24.9 16.6 129 641 A V H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.964 117.1 43.7 -61.4 -50.9 21.6 26.1 15.2 130 642 A L H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 113.4 53.0 -62.8 -38.2 21.3 29.1 17.5 131 643 A S H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.899 109.3 48.2 -62.0 -41.9 24.9 30.1 17.0 132 644 A N H X S+ 0 0 21 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.881 111.8 49.3 -68.9 -35.5 24.6 30.0 13.2 133 645 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.951 113.3 46.7 -66.8 -46.4 21.5 32.2 13.3 134 646 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.883 111.8 50.3 -63.4 -38.2 23.2 34.7 15.7 135 647 A D H < S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 105.7 58.1 -68.4 -30.3 26.3 34.8 13.5 136 648 A G H < S+ 0 0 1 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.898 115.4 35.5 -64.3 -37.1 24.1 35.3 10.5 137 649 A L H < S+ 0 0 7 -4,-1.6 2,-0.5 1,-0.3 -2,-0.2 0.836 127.9 35.1 -83.7 -36.4 22.7 38.5 12.2 138 650 A I S >< S- 0 0 23 -4,-2.8 3,-2.4 -5,-0.2 -1,-0.3 -0.818 74.4-167.2-123.6 84.9 25.9 39.6 13.9 139 651 A G T 3 S+ 0 0 68 -2,-0.5 -1,-0.1 -3,-0.3 -4,-0.1 0.695 80.9 57.5 -45.4 -35.6 28.7 38.7 11.5 140 652 A D T 3 S- 0 0 122 1,-0.1 -1,-0.3 3,-0.0 -5,-0.1 0.459 99.3-131.9 -81.2 2.1 31.7 39.2 13.9 141 653 A G X + 0 0 9 -3,-2.4 3,-2.0 -6,-0.2 4,-0.3 0.618 59.7 143.1 59.1 13.3 30.2 36.7 16.3 142 654 A S G > + 0 0 68 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.624 48.3 84.7 -60.1 -14.7 30.9 39.2 19.1 143 655 A W G 3 S+ 0 0 17 -5,-0.3 -1,-0.3 1,-0.2 -20,-0.2 0.726 84.1 62.0 -61.5 -18.4 27.6 38.2 20.8 144 656 A R G < 0 0 73 -3,-2.0 -1,-0.2 -21,-0.1 -20,-0.2 0.890 360.0 360.0 -72.7 -41.5 29.8 35.4 22.4 145 657 A A < 0 0 121 -3,-0.7 -2,-0.1 -4,-0.3 -3,-0.1 0.780 360.0 360.0-110.7 360.0 32.1 37.9 24.2