==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAY-10 3N3U . COMPND 2 MOLECULE: ADENOSINE MONOPHOSPHATE-PROTEIN TRANSFERASE IBPA; . SOURCE 2 ORGANISM_SCIENTIFIC: HISTOPHILUS SOMNI; . AUTHOR J.XIAO . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.7 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 0.7 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 2 0 0 0 0 1 0 1 2 3 2 0 0 1 0 1 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 3488 A V 0 0 103 0, 0.0 2,-0.5 0, 0.0 85,-0.0 0.000 360.0 360.0 360.0 122.3 41.3 -5.8 9.4 2 3489 A N + 0 0 104 1,-0.1 3,-0.1 2,-0.0 85,-0.0 -0.819 360.0 169.6 -97.6 126.1 45.0 -6.1 9.1 3 3490 A Y > + 0 0 15 -2,-0.5 3,-2.1 1,-0.1 -1,-0.1 0.535 48.4 102.0-109.0 -11.6 46.3 -9.0 7.0 4 3491 A Q T 3 S+ 0 0 141 1,-0.3 -1,-0.1 9,-0.1 9,-0.1 0.802 84.3 44.9 -45.0 -43.9 50.1 -8.2 6.8 5 3492 A D T 3 S+ 0 0 139 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.493 90.1 100.1 -89.6 -3.8 51.3 -10.6 9.4 6 3493 A L S < S- 0 0 35 -3,-2.1 2,-0.2 1,-0.1 -3,-0.0 -0.590 82.1-111.8 -77.3 142.0 49.2 -13.6 8.2 7 3494 A E + 0 0 178 -2,-0.2 2,-0.3 2,-0.0 87,-0.1 -0.575 44.1 177.9 -73.5 140.1 51.0 -16.1 6.1 8 3495 A D + 0 0 31 -2,-0.2 83,-0.0 1,-0.1 82,-0.0 -0.969 30.9 158.5-151.0 126.0 49.8 -16.1 2.5 9 3496 A N S S+ 0 0 152 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.345 77.2 70.1-124.1 1.3 50.7 -17.9 -0.7 10 3497 A L S S- 0 0 14 200,-0.1 200,-2.7 199,-0.1 5,-0.1 0.441 105.9-120.3 -89.8 -2.2 47.5 -17.4 -2.6 11 3498 A N > + 0 0 49 198,-0.2 4,-2.3 3,-0.1 3,-0.3 0.864 60.4 155.3 55.7 37.3 48.3 -13.8 -2.9 12 3499 A L H > + 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.764 68.3 60.0 -60.9 -25.5 45.1 -13.2 -1.0 13 3500 A K H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 104.1 47.0 -73.0 -38.7 46.7 -9.9 0.1 14 3501 A G H > S+ 0 0 12 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.943 112.3 51.4 -62.8 -47.9 47.0 -8.8 -3.5 15 3502 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 109.7 48.7 -53.0 -50.6 43.4 -9.9 -4.1 16 3503 A I H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 110.5 51.6 -60.1 -38.1 42.2 -7.9 -1.0 17 3504 A S H X S+ 0 0 55 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.925 107.7 52.5 -63.7 -45.1 44.2 -4.9 -2.3 18 3505 A L H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 112.7 44.7 -51.7 -50.9 42.5 -5.2 -5.7 19 3506 A E H X S+ 0 0 2 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.866 108.4 57.0 -66.1 -39.3 39.1 -5.2 -4.0 20 3507 A D H X S+ 0 0 61 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.925 110.4 44.5 -56.3 -46.3 40.0 -2.3 -1.7 21 3508 A D H X S+ 0 0 68 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.917 115.5 46.3 -67.5 -45.2 40.8 -0.1 -4.7 22 3509 A R H >< S+ 0 0 31 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.943 114.8 47.6 -60.8 -48.9 37.7 -1.2 -6.7 23 3510 A N H >< S+ 0 0 72 -4,-3.2 3,-1.3 1,-0.2 4,-0.4 0.878 108.3 55.0 -60.4 -40.0 35.4 -0.7 -3.6 24 3511 A A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 -5,-0.3 4,-0.2 0.761 113.7 41.7 -66.4 -25.2 37.0 2.7 -2.9 25 3512 A N T >S+ 0 0 11 -3,-1.3 4,-2.5 1,-0.2 5,-1.0 0.895 79.6 51.6 -63.9 -43.3 32.6 2.2 -6.5 27 3514 A E H 4>S+ 0 0 98 -4,-0.4 5,-2.4 3,-0.2 -1,-0.2 0.920 115.6 41.9 -59.6 -44.8 30.7 5.4 -5.7 28 3515 A S H 45S+ 0 0 73 -4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.910 120.0 41.9 -69.8 -43.0 32.5 7.2 -8.5 29 3516 A N H <5S+ 0 0 70 -4,-2.6 -2,-0.2 -7,-0.2 -1,-0.2 0.758 134.7 7.4 -80.5 -26.9 32.4 4.4 -11.1 30 3517 A V T ><5S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.2 -3,-0.2 0.727 126.6 43.6-118.4 -68.2 28.8 3.2 -10.5 31 3518 A L T 3 - 0 0 45 -3,-1.7 4,-2.4 -6,-0.2 5,-0.2 -0.604 58.1-145.7 -72.2 125.7 28.0 7.3 -13.2 34 3521 A E H > S+ 0 0 98 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.819 96.9 53.9 -69.7 -31.2 25.6 9.5 -15.3 35 3522 A K H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 111.2 47.7 -67.3 -39.1 24.6 6.7 -17.7 36 3523 A F H > S+ 0 0 0 2,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.942 114.9 45.9 -60.5 -48.7 23.6 4.6 -14.6 37 3524 A L H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 112.6 48.2 -64.4 -44.1 21.7 7.6 -13.1 38 3525 A D H X S+ 0 0 80 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.902 112.4 48.7 -68.4 -39.4 19.9 8.6 -16.3 39 3526 A E H X S+ 0 0 34 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.931 111.2 51.6 -61.3 -43.8 18.8 5.0 -17.0 40 3527 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.892 111.1 47.4 -60.1 -40.7 17.6 4.8 -13.4 41 3528 A R H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 113.1 48.5 -66.5 -45.1 15.6 8.0 -13.8 42 3529 A E H X S+ 0 0 127 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.908 112.6 48.0 -60.3 -44.8 14.1 6.7 -17.1 43 3530 A I H >X S+ 0 0 50 -4,-3.0 3,-0.7 1,-0.2 4,-0.7 0.918 112.1 49.3 -65.0 -43.1 13.2 3.3 -15.6 44 3531 A S H >X S+ 0 0 41 -4,-2.3 4,-1.2 1,-0.2 3,-0.8 0.913 104.8 58.6 -61.0 -44.2 11.6 4.9 -12.5 45 3532 A K H 3< S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 91.9 71.1 -60.8 -23.1 9.6 7.3 -14.6 46 3533 A K H << S+ 0 0 112 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.922 101.1 42.6 -61.4 -45.4 7.9 4.4 -16.4 47 3534 A S H << S+ 0 0 105 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.966 104.4 74.4 -64.9 -55.1 5.9 3.4 -13.4 48 3535 A I S < S- 0 0 40 -4,-1.2 5,-0.0 1,-0.1 3,-0.0 -0.109 93.9 -61.4 -52.2 151.6 4.9 6.9 -12.3 49 3536 A P - 0 0 46 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.270 16.3-129.9 -47.7 156.9 2.2 8.8 -14.3 50 3537 A E S S+ 0 0 166 2,-0.2 -4,-0.0 3,-0.1 -2,-0.0 -0.923 114.7 33.0 76.0 12.5 1.7 9.8 -17.1 51 3538 A A S > S+ 0 0 71 -2,-0.0 4,-0.9 -3,-0.0 -1,-0.1 -0.184 105.2 64.2 164.5 -48.3 0.8 13.1 -15.4 52 3539 A T H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.1 -2,-0.2 0.698 88.7 72.6 -75.2 -21.0 3.0 13.4 -12.3 53 3540 A V H > S+ 0 0 36 -4,-0.3 4,-1.3 2,-0.2 3,-0.5 0.989 102.0 35.4 -61.0 -71.6 6.3 13.6 -14.3 54 3541 A K H 4 S+ 0 0 175 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.876 116.9 61.4 -48.5 -38.3 6.2 17.1 -15.8 55 3542 A Q H >< S+ 0 0 133 -4,-0.9 3,-0.7 1,-0.2 -1,-0.3 0.937 111.5 34.1 -51.5 -54.0 4.5 18.0 -12.5 56 3543 A M H >< S+ 0 0 53 -4,-2.7 3,-1.4 -3,-0.5 6,-0.3 0.453 90.9 96.7 -86.6 -2.2 7.5 17.0 -10.4 57 3544 A S T 3< S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.814 86.7 50.1 -53.6 -29.5 10.0 18.1 -13.1 58 3545 A H T < S+ 0 0 152 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.598 83.9 107.4 -88.8 -13.9 10.2 21.3 -11.1 59 3546 A L X - 0 0 76 -3,-1.4 3,-1.4 1,-0.2 4,-0.4 -0.550 67.4-143.2 -67.8 121.1 10.8 19.6 -7.8 60 3547 A P T 3 S+ 0 0 110 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.806 99.3 48.5 -53.5 -33.7 14.5 20.1 -6.8 61 3548 A E T >> S+ 0 0 107 1,-0.2 4,-2.4 2,-0.1 3,-2.0 0.619 84.9 94.2 -84.1 -13.7 14.7 16.6 -5.3 62 3549 A F H <> S+ 0 0 5 -3,-1.4 4,-2.1 -6,-0.3 5,-0.2 0.849 76.5 56.9 -54.4 -48.8 13.1 14.8 -8.3 63 3550 A D H 34 S+ 0 0 89 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.740 117.6 39.2 -54.1 -22.0 16.3 13.8 -10.2 64 3551 A D H X> S+ 0 0 86 -3,-2.0 3,-1.8 2,-0.2 4,-1.3 0.827 105.0 61.5 -97.9 -42.4 17.3 12.1 -6.9 65 3552 A I H 3< S+ 0 0 75 -4,-2.4 4,-0.4 1,-0.3 3,-0.3 0.872 104.4 55.7 -47.8 -37.7 14.0 10.6 -5.8 66 3553 A L T 3< S+ 0 0 4 -4,-2.1 -1,-0.3 -5,-0.2 4,-0.3 0.717 113.9 37.3 -69.2 -22.7 14.2 8.7 -9.1 67 3554 A T T <> S+ 0 0 1 -3,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.484 87.6 89.9-113.1 -4.8 17.6 7.2 -8.3 68 3555 A E H X S+ 0 0 119 -4,-1.3 4,-2.0 -3,-0.3 5,-0.1 0.881 90.4 48.0 -65.9 -39.2 17.5 6.4 -4.6 69 3556 A G H > S+ 0 0 43 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.932 112.9 47.0 -64.6 -47.5 16.1 2.9 -5.0 70 3557 A A H > S+ 0 0 24 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.871 111.8 51.5 -64.0 -39.0 18.6 1.9 -7.7 71 3558 A K H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.926 108.7 50.7 -62.7 -46.4 21.5 3.3 -5.7 72 3559 A K H X S+ 0 0 163 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.890 109.2 52.7 -57.7 -41.1 20.5 1.3 -2.6 73 3560 A V H X S+ 0 0 37 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.929 110.8 44.9 -62.7 -47.3 20.3 -1.9 -4.7 74 3561 A E H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.880 112.1 51.9 -67.3 -38.9 23.8 -1.5 -6.1 75 3562 A S H X S+ 0 0 50 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.892 110.7 49.7 -62.3 -39.5 25.3 -0.6 -2.7 76 3563 A R H X S+ 0 0 108 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.947 112.5 46.1 -63.4 -50.3 23.7 -3.7 -1.3 77 3564 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.916 112.1 51.6 -58.0 -45.3 25.0 -5.9 -4.1 78 3565 A N H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.862 106.6 53.6 -62.6 -36.2 28.5 -4.4 -3.7 79 3566 A K H < S+ 0 0 173 -4,-1.9 197,-0.3 1,-0.2 -1,-0.2 0.867 110.3 48.6 -65.4 -35.2 28.5 -5.0 0.0 80 3567 A A H < S+ 0 0 12 -4,-1.6 196,-0.3 -3,-0.2 -2,-0.2 0.828 117.1 38.2 -75.1 -33.9 27.7 -8.7 -0.6 81 3568 A I H < S+ 0 0 0 -4,-1.8 2,-0.2 -5,-0.1 -2,-0.2 0.688 85.9 107.6 -95.1 -20.0 30.3 -9.4 -3.3 82 3569 A T S < S- 0 0 18 -4,-1.8 2,-0.7 -5,-0.2 194,-0.3 -0.428 70.7-127.8 -66.9 126.7 33.3 -7.3 -2.0 83 3570 A F + 0 0 0 -2,-0.2 -64,-0.1 193,-0.1 -1,-0.1 -0.658 51.0 139.8 -83.5 111.2 36.0 -9.6 -0.6 84 3571 A R - 0 0 94 -2,-0.7 193,-0.1 -65,-0.1 -1,-0.1 -0.585 30.8-167.9-149.5 80.9 37.0 -8.7 2.9 85 3572 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.301 22.2-115.8 -74.7 151.7 37.5 -11.9 5.1 86 3573 A S > - 0 0 40 1,-0.1 4,-3.1 -2,-0.0 3,-0.4 -0.410 39.3-101.5 -71.9 161.7 38.0 -12.1 8.8 87 3574 A V H > S+ 0 0 53 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.899 127.2 52.1 -52.7 -41.1 41.3 -13.4 10.0 88 3575 A E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.856 111.9 45.2 -64.4 -36.5 39.7 -16.7 10.7 89 3576 A E H > S+ 0 0 37 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.886 108.4 56.7 -73.8 -40.4 38.3 -16.8 7.1 90 3577 A F H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.919 113.1 41.1 -53.8 -46.8 41.6 -15.7 5.6 91 3578 A S H X S+ 0 0 49 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.881 110.6 55.8 -72.7 -40.7 43.3 -18.7 7.2 92 3579 A E H X S+ 0 0 75 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.896 108.5 49.5 -57.8 -41.4 40.5 -21.1 6.5 93 3580 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.893 107.4 55.3 -64.1 -40.7 40.8 -20.2 2.8 94 3581 A Q H X S+ 0 0 26 -4,-1.5 4,-1.0 -5,-0.2 -2,-0.2 0.944 112.8 41.0 -56.1 -51.1 44.6 -20.7 3.0 95 3582 A D H X S+ 0 0 105 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.905 111.8 56.3 -64.8 -43.7 44.1 -24.3 4.3 96 3583 A L H >< S+ 0 0 28 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.837 101.9 55.1 -61.1 -36.7 41.2 -25.1 1.9 97 3584 A V H >< S+ 0 0 15 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.849 101.1 60.0 -66.6 -32.9 43.2 -24.3 -1.2 98 3585 A K H 3< S+ 0 0 177 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.789 103.5 52.4 -61.8 -27.5 45.9 -26.7 -0.1 99 3586 A T T << S+ 0 0 84 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.396 83.4 118.7 -93.0 1.7 43.3 -29.5 -0.2 100 3587 A L < - 0 0 18 -3,-1.3 2,-0.2 -4,-0.2 188,-0.1 -0.442 67.8-117.6 -73.7 140.3 42.0 -28.8 -3.8 101 3588 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.560 39.3 175.1 -71.1 137.9 42.3 -31.5 -6.5 102 3589 A K - 0 0 112 -2,-0.2 147,-0.2 147,-0.2 2,-0.1 -0.935 22.1-134.9-151.8 126.1 44.5 -30.3 -9.3 103 3590 A T - 0 0 57 145,-2.7 4,-0.0 -2,-0.3 0, 0.0 -0.388 3.1-151.8 -81.0 156.8 45.7 -32.3 -12.4 104 3591 A K + 0 0 193 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.503 65.7 104.7-100.6 -10.5 49.3 -32.3 -13.7 105 3592 A V S S- 0 0 84 143,-0.1 2,-1.6 1,-0.1 -2,-0.1 -0.508 75.4-128.0 -77.0 138.6 48.2 -33.0 -17.3 106 3593 A I - 0 0 161 -2,-0.2 -1,-0.1 142,-0.0 -2,-0.1 -0.676 37.0-148.1 -81.0 85.7 48.4 -30.1 -19.8 107 3594 A E - 0 0 35 -2,-1.6 2,-0.1 138,-0.2 141,-0.0 -0.301 5.4-133.7 -64.2 135.8 44.8 -30.6 -21.0 108 3595 A D > - 0 0 95 1,-0.1 4,-2.5 -2,-0.0 3,-0.2 -0.297 29.9 -95.8 -83.5 172.2 44.0 -29.8 -24.6 109 3596 A L H > S+ 0 0 45 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.882 123.4 53.4 -57.1 -43.2 41.1 -27.8 -25.8 110 3597 A S H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 110.8 47.1 -59.8 -42.1 38.9 -30.8 -26.6 111 3598 A T H > S+ 0 0 54 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.935 115.9 44.1 -64.9 -47.1 39.5 -32.1 -23.0 112 3599 A K H X S+ 0 0 40 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.934 112.3 53.4 -63.2 -45.5 38.7 -28.7 -21.5 113 3600 A T H X S+ 0 0 1 -4,-3.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 110.8 46.5 -55.5 -46.3 35.7 -28.2 -23.8 114 3601 A N H X S+ 0 0 58 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.888 110.7 52.1 -65.7 -40.0 34.2 -31.6 -22.7 115 3602 A E H X S+ 0 0 56 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 112.8 44.3 -62.2 -46.2 34.8 -31.0 -19.0 116 3603 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.897 113.6 50.8 -67.1 -40.6 33.0 -27.6 -19.1 117 3604 A T H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.930 111.9 46.9 -61.9 -46.2 30.2 -29.0 -21.2 118 3605 A E H X S+ 0 0 101 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.897 110.9 52.5 -63.3 -40.7 29.6 -31.9 -18.9 119 3606 A A H X S+ 0 0 8 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.883 110.9 47.6 -62.5 -39.2 29.8 -29.6 -15.9 120 3607 A L H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.920 109.2 52.7 -67.8 -43.8 27.1 -27.3 -17.5 121 3608 A A H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.3 7,-0.4 0.779 101.5 61.9 -63.5 -27.6 24.9 -30.3 -18.3 122 3609 A A H 3< S+ 0 0 59 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.731 100.3 54.1 -70.6 -22.0 25.1 -31.4 -14.7 123 3610 A T T << S+ 0 0 22 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.226 110.4 49.7 -96.4 13.3 23.4 -28.2 -13.6 124 3611 A S <> - 0 0 31 -3,-1.2 4,-1.6 1,-0.1 -1,-0.2 -0.894 55.2-160.9-159.6 122.3 20.4 -28.6 -15.9 125 3612 A K H > S+ 0 0 146 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.799 96.6 60.1 -71.4 -30.2 18.0 -31.4 -16.6 126 3613 A T H > S+ 0 0 77 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.900 105.4 47.2 -65.5 -41.6 17.0 -29.8 -19.9 127 3614 A I H 4 S+ 0 0 2 1,-0.2 7,-0.4 2,-0.2 3,-0.4 0.922 111.3 51.6 -64.7 -43.6 20.6 -30.0 -21.2 128 3615 A Q H < S+ 0 0 118 -4,-1.6 -1,-0.2 -7,-0.4 -2,-0.2 0.839 115.8 42.0 -59.1 -34.2 20.8 -33.7 -20.1 129 3616 A R H < S+ 0 0 194 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.615 107.5 62.9 -93.1 -15.3 17.6 -34.5 -21.9 130 3617 A T >X - 0 0 58 -4,-1.3 4,-2.2 -3,-0.4 3,-0.6 -0.843 56.9-175.5-118.2 94.8 18.2 -32.5 -25.1 131 3618 A P H 3> S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.855 84.9 54.7 -56.2 -39.4 21.2 -33.8 -27.1 132 3619 A E H 3> S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.834 109.4 47.5 -68.2 -31.8 20.9 -31.0 -29.8 133 3620 A L H <> S+ 0 0 16 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.933 111.3 50.6 -70.1 -47.4 21.0 -28.3 -27.1 134 3621 A K H X S+ 0 0 61 -4,-2.2 4,-2.1 -7,-0.4 -2,-0.2 0.906 110.4 50.8 -56.1 -43.3 24.0 -29.9 -25.3 135 3622 A E H X S+ 0 0 105 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.876 110.9 45.9 -66.3 -40.6 25.9 -30.1 -28.6 136 3623 A Q H X S+ 0 0 89 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.814 111.6 52.2 -74.9 -29.5 25.4 -26.5 -29.6 137 3624 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.897 106.7 55.2 -66.6 -40.1 26.3 -25.3 -26.1 138 3625 A K H X S+ 0 0 58 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.890 106.3 51.1 -58.5 -40.8 29.5 -27.4 -26.5 139 3626 A T H X S+ 0 0 62 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.915 108.9 49.5 -63.9 -45.0 30.3 -25.5 -29.7 140 3627 A A H X S+ 0 0 11 -4,-1.8 4,-2.2 24,-0.3 -1,-0.2 0.884 112.1 49.7 -61.0 -38.5 29.9 -22.1 -28.0 141 3628 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.908 110.5 49.4 -66.1 -43.3 32.2 -23.3 -25.2 142 3629 A E H X S+ 0 0 75 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.935 111.3 48.9 -61.2 -49.0 34.8 -24.5 -27.7 143 3630 A D H X S+ 0 0 86 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.914 112.2 49.3 -55.2 -46.7 34.7 -21.2 -29.6 144 3631 A F H X S+ 0 0 9 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.921 113.4 44.6 -62.2 -45.8 35.1 -19.3 -26.3 145 3632 A L H X S+ 0 0 10 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.916 113.9 51.5 -64.5 -42.4 38.0 -21.4 -25.1 146 3633 A Q H < S+ 0 0 114 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.924 113.5 42.7 -58.6 -48.7 39.7 -21.2 -28.5 147 3634 A N H < S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.695 117.0 46.0 -75.2 -21.3 39.4 -17.4 -28.8 148 3635 A S H >< S+ 0 0 1 -4,-1.4 3,-1.6 -5,-0.2 -1,-0.2 0.491 78.6 122.4-102.7 -5.5 40.5 -16.7 -25.2 149 3636 A Q T 3< S- 0 0 142 -4,-1.0 -4,-0.0 -3,-0.5 -3,-0.0 -0.391 91.5 -8.1 -65.4 129.9 43.5 -19.0 -24.9 150 3637 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.773 119.2 101.1 56.2 29.2 46.7 -17.2 -24.0 151 3638 A K S < S- 0 0 124 -3,-1.6 -1,-0.2 3,-0.0 2,-0.1 -0.969 82.0 -94.1-140.8 151.4 44.8 -13.9 -24.5 152 3639 A P - 0 0 82 0, 0.0 2,-0.1 0, 0.0 46,-0.0 -0.454 46.1-109.9 -65.5 138.2 43.2 -11.3 -22.2 153 3640 A L - 0 0 9 45,-0.2 2,-0.3 -2,-0.1 49,-0.1 -0.415 38.2-164.9 -61.8 140.7 39.5 -11.8 -21.6 154 3641 A T > - 0 0 56 1,-0.1 4,-1.4 -2,-0.1 3,-0.2 -0.922 32.7-121.1-125.5 158.1 37.4 -9.1 -23.2 155 3642 A V H > S+ 0 0 41 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.873 115.0 60.2 -58.7 -37.5 33.7 -8.1 -22.8 156 3643 A Q H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 101.5 52.5 -59.1 -40.6 33.2 -8.9 -26.5 157 3644 A M H > S+ 0 0 27 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 110.9 47.0 -61.3 -41.8 34.3 -12.5 -25.8 158 3645 A I H X S+ 0 0 2 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.877 110.1 52.9 -70.0 -38.4 31.7 -12.8 -23.1 159 3646 A E H X S+ 0 0 42 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.943 111.0 46.4 -59.0 -49.5 29.0 -11.2 -25.2 160 3647 A N H X S+ 0 0 97 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.843 112.3 52.0 -62.9 -33.9 29.7 -13.8 -28.0 161 3648 A L H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.931 108.9 48.9 -67.3 -47.4 29.7 -16.5 -25.4 162 3649 A N H < S+ 0 0 0 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.935 112.6 48.5 -57.3 -47.5 26.3 -15.5 -24.0 163 3650 A H H >< S+ 0 0 73 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.918 112.3 49.0 -57.3 -45.4 24.9 -15.3 -27.5 164 3651 A G H 3< S+ 0 0 25 -4,-2.2 -24,-0.3 1,-0.3 -1,-0.2 0.763 105.3 58.4 -67.7 -25.9 26.3 -18.8 -28.3 165 3652 A L T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.332 96.0 67.0 -87.6 8.1 24.9 -20.2 -25.0 166 3653 A R X + 0 0 4 -3,-1.4 3,-1.5 -4,-0.1 -1,-0.2 -0.237 49.2 133.9-122.9 46.1 21.3 -19.3 -26.0 167 3654 A P T 3 + 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.628 66.3 72.5 -70.1 -11.3 20.5 -21.5 -29.0 168 3655 A D T 3 S+ 0 0 89 -3,-0.2 2,-0.3 2,-0.1 -2,-0.0 0.285 91.0 71.4 -86.4 11.1 17.2 -22.3 -27.4 169 3656 A E S < S- 0 0 58 -3,-1.5 4,-0.1 1,-0.0 3,-0.1 -0.916 90.5-103.3-121.2 152.9 16.0 -18.8 -28.2 170 3657 A G > - 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