==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-09 3HRH . COMPND 2 MOLECULE: ANTIGEN 85-C; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.BOUCAU,A.K SANKI,F.E.UMESIRI,S.J.SUCHECK,D.R.RONNING . 553 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 50 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.7 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 3 5 4 0 1 0 3 2 2 0 0 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 4 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 . 2 0 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 7 A P 0 0 128 0, 0.0 21,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.7 -7.6 7.3 61.7 2 8 A V - 0 0 71 19,-0.1 2,-0.4 17,-0.0 19,-0.2 -0.713 360.0-148.0 -85.8 138.7 -9.0 8.8 58.5 3 9 A E E -A 20 0A 63 17,-3.8 17,-2.9 -2,-0.4 2,-1.0 -0.898 11.0-146.2-113.3 139.9 -12.7 8.1 58.0 4 10 A Y E -A 19 0A 94 -2,-0.4 15,-0.2 15,-0.2 2,-0.2 -0.830 35.2-175.6-102.7 93.9 -14.6 7.7 54.8 5 11 A L E -A 18 0A 19 13,-2.7 13,-2.7 -2,-1.0 2,-0.5 -0.495 27.0-146.0 -93.7 159.2 -17.9 9.2 55.6 6 12 A Q E -A 17 0A 108 11,-0.2 11,-0.2 -2,-0.2 -2,-0.0 -0.932 19.3-167.5-125.1 102.6 -21.2 9.5 53.7 7 13 A V E -A 16 0A 0 9,-2.7 9,-3.9 -2,-0.5 2,-0.1 -0.800 19.8-125.4 -94.7 128.7 -22.9 12.8 54.6 8 14 A P E -A 15 0A 67 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.402 19.4-163.1 -71.9 149.2 -26.5 13.2 53.5 9 15 A S E >> -A 14 0A 5 5,-1.0 5,-1.6 1,-0.1 4,-1.3 -0.881 13.6-177.4-137.6 102.4 -27.5 16.2 51.4 10 16 A A T 45S+ 0 0 94 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.897 88.4 57.5 -63.6 -40.1 -31.2 17.0 51.2 11 17 A S T 45S+ 0 0 45 1,-0.2 75,-0.2 77,-0.1 -1,-0.2 0.848 118.5 30.3 -60.2 -36.6 -30.4 19.8 48.8 12 18 A M T 45S- 0 0 6 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.485 104.5-127.3-101.9 -4.2 -28.7 17.4 46.4 13 19 A G T <5S+ 0 0 65 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.853 75.8 66.9 62.8 39.0 -30.8 14.4 47.2 14 20 A R E - 0 0 5 86,-0.1 3,-1.3 83,-0.1 35,-0.3 -0.132 46.9 -72.7 -93.5-168.3 -9.8 21.3 41.8 34 40 A L T 3 S+ 0 0 33 1,-0.3 34,-1.3 33,-0.1 35,-0.1 0.799 127.7 52.1 -55.9 -35.2 -11.6 21.3 38.5 35 41 A R T 3 S+ 0 0 169 32,-0.2 -1,-0.3 33,-0.1 32,-0.1 -0.085 77.0 166.0 -97.6 35.1 -11.1 17.6 37.9 36 42 A A < - 0 0 2 -3,-1.3 31,-0.3 30,-0.2 2,-0.2 -0.246 26.1-141.3 -53.9 129.2 -12.5 16.4 41.3 37 43 A Q - 0 0 97 3,-0.6 28,-1.2 28,-0.2 5,-0.1 -0.490 13.4-125.3 -92.5 163.9 -13.1 12.7 41.2 38 44 A D S S+ 0 0 118 -2,-0.2 -21,-0.1 26,-0.1 3,-0.1 0.506 103.7 47.5 -85.4 -6.3 -16.0 10.7 42.8 39 45 A D S S+ 0 0 70 1,-0.3 2,-0.3 26,-0.0 -1,-0.1 0.867 118.9 5.4-100.6 -51.1 -13.8 8.4 44.8 40 46 A Y S S- 0 0 104 -22,-0.0 -3,-0.6 -21,-0.0 -1,-0.3 -0.986 73.5-106.2-140.1 148.9 -11.1 10.5 46.6 41 47 A N >> - 0 0 0 -2,-0.3 4,-1.7 21,-0.2 3,-1.0 -0.438 33.7-118.3 -71.1 143.2 -10.3 14.2 47.0 42 48 A G H 3> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.769 111.3 60.4 -53.0 -32.4 -7.4 15.5 45.0 43 49 A W H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 6,-0.6 0.879 108.8 43.0 -66.1 -36.7 -5.5 16.5 48.2 44 50 A D H <4 S+ 0 0 62 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.813 114.4 51.4 -77.3 -31.2 -5.5 12.8 49.4 45 51 A I H < S+ 0 0 74 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.844 125.8 22.6 -72.9 -33.9 -4.6 11.5 45.9 46 52 A N H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.526 118.4 39.0-115.1 -6.7 -1.6 13.9 45.4 47 53 A T < - 0 0 16 -4,-1.8 3,-0.3 -5,-0.2 4,-0.1 -0.921 69.7-117.7-143.2 168.2 -0.3 15.0 48.8 48 54 A P > + 0 0 59 0, 0.0 4,-3.1 0, 0.0 5,-0.3 -0.082 63.9 137.0 -93.3 31.6 0.5 14.0 52.4 49 55 A A H > + 0 0 0 -6,-0.6 4,-1.3 1,-0.2 5,-0.1 0.885 68.8 47.2 -45.0 -53.0 -2.1 16.6 53.5 50 56 A F H >4 S+ 0 0 14 -3,-0.3 3,-0.7 1,-0.2 4,-0.3 0.952 115.5 44.2 -56.5 -53.6 -3.6 14.3 56.2 51 57 A E H >4 S+ 0 0 156 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.848 109.5 57.6 -60.9 -36.2 -0.2 13.2 57.6 52 58 A E H 3< S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.783 113.7 38.6 -67.1 -26.5 1.0 16.8 57.5 53 59 A Y T X< S+ 0 0 4 -4,-1.3 3,-1.1 -3,-0.7 5,-0.5 0.288 83.2 133.1-106.1 8.8 -1.8 17.9 59.7 54 60 A Y T < S- 0 0 129 -3,-0.9 -31,-0.1 -4,-0.3 5,-0.1 -0.435 85.1 -2.5 -63.1 125.1 -1.8 14.8 62.0 55 61 A Q T 3 S+ 0 0 167 -33,-0.3 -1,-0.3 -2,-0.2 -32,-0.1 0.943 90.1 130.8 55.1 53.4 -2.0 16.0 65.6 56 62 A S S < S- 0 0 9 -3,-1.1 -2,-0.1 2,-0.4 -1,-0.1 0.236 84.8-106.1-112.0 4.1 -1.9 19.7 64.7 57 63 A G S S+ 0 0 30 1,-0.3 -31,-0.4 -34,-0.2 2,-0.3 0.666 92.3 104.8 76.4 15.8 -4.9 20.3 66.9 58 64 A L - 0 0 1 -5,-0.5 -2,-0.4 -36,-0.1 2,-0.3 -0.962 66.3-132.7-131.6 147.4 -6.9 20.7 63.7 59 65 A S E - c 0 27A 2 -33,-2.7 -31,-3.2 -2,-0.3 2,-0.5 -0.705 18.2-143.9 -94.9 149.4 -9.4 18.5 61.9 60 66 A V E -Bc 21 28A 1 -39,-2.3 -39,-2.2 -2,-0.3 2,-0.5 -0.965 12.9-170.8-118.0 128.0 -9.2 17.9 58.1 61 67 A I E -Bc 20 29A 0 -33,-2.2 -31,-2.3 -2,-0.5 -41,-0.2 -0.964 3.9-176.7-121.6 116.9 -12.2 17.6 55.9 62 68 A M E -B 19 0A 0 -43,-3.7 -43,-2.9 -2,-0.5 -21,-0.2 -0.840 13.4-155.8-114.3 94.3 -11.9 16.5 52.3 63 69 A P E -B 18 0A 0 0, 0.0 2,-0.4 0, 0.0 -45,-0.2 -0.372 15.4-135.8 -65.6 151.2 -15.2 16.6 50.5 64 70 A V + 0 0 6 -47,-2.6 -47,-0.3 -23,-0.1 2,-0.1 -0.908 57.6 8.2-113.3 137.8 -15.4 14.2 47.5 65 71 A G + 0 0 3 -28,-1.2 -33,-0.2 -2,-0.4 -28,-0.2 -0.464 49.2 133.1 96.2-170.2 -16.8 15.0 44.1 66 72 A G > - 0 0 3 1,-0.2 3,-2.6 -2,-0.1 4,-0.5 0.764 37.8-166.9 92.1 28.2 -18.0 18.3 42.6 67 73 A Q T 3 S- 0 0 55 -31,-0.3 -32,-0.2 1,-0.3 -1,-0.2 -0.255 76.3 -8.8 -51.3 125.1 -16.2 18.1 39.2 68 74 A S T 3 S+ 0 0 0 -34,-1.3 -1,-0.3 -35,-0.3 -34,-0.1 0.697 103.2 120.4 57.0 23.1 -16.4 21.5 37.6 69 75 A S X - 0 0 0 -3,-2.6 3,-1.4 -35,-0.1 -2,-0.1 0.734 63.6-146.0 -87.7 -24.6 -18.9 22.7 40.3 70 76 A F T 3 - 0 0 19 -4,-0.5 3,-0.1 1,-0.3 -3,-0.1 0.634 55.3 -90.9 63.5 13.8 -16.9 25.6 41.7 71 77 A Y T 3 S+ 0 0 4 -5,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.838 94.3 127.1 50.6 39.1 -18.5 24.4 45.0 72 78 A T S < S- 0 0 6 -3,-1.4 17,-1.4 17,-0.2 2,-0.7 -0.626 71.1 -96.1-116.0 175.4 -21.4 26.8 44.3 73 79 A D B -H 88 0B 45 15,-0.3 15,-0.2 -2,-0.2 2,-0.1 -0.862 44.0-144.3 -95.2 115.7 -25.2 26.4 44.2 74 80 A W - 0 0 2 13,-2.9 97,-0.2 -2,-0.7 98,-0.1 -0.410 13.1-131.4 -79.0 155.9 -26.1 26.0 40.5 75 81 A Y S S- 0 0 131 95,-1.3 96,-0.2 96,-0.6 -1,-0.1 0.888 85.2 -14.3 -71.6 -39.6 -29.3 27.4 39.0 76 82 A Q S S- 0 0 87 94,-1.8 11,-0.3 9,-0.1 -1,-0.2 -0.925 89.5 -64.9-154.0 173.6 -30.2 24.1 37.4 77 83 A P S S- 0 0 35 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.297 72.6 -83.3 -62.1 153.5 -28.8 20.6 36.5 78 84 A S > - 0 0 2 7,-0.4 2,-1.4 1,-0.1 5,-0.5 -0.452 39.6-144.7 -64.8 121.1 -26.0 20.8 33.9 79 85 A Q T 5S+ 0 0 101 -2,-0.3 -1,-0.1 1,-0.2 90,-0.1 -0.668 84.8 39.7 -89.3 83.9 -27.7 21.0 30.5 80 86 A S T 5S+ 0 0 73 -2,-1.4 -1,-0.2 3,-0.1 86,-0.1 0.064 108.8 47.8 171.1 -42.5 -25.2 19.0 28.4 81 87 A N T 5S- 0 0 54 -3,-0.3 -2,-0.1 84,-0.2 85,-0.1 0.336 104.8-109.9-104.0 6.4 -23.9 16.0 30.3 82 88 A G T 5 + 0 0 66 -4,-0.5 -3,-0.1 1,-0.2 0, 0.0 0.636 47.1 179.1 78.0 13.8 -27.2 14.7 31.6 83 89 A Q < - 0 0 23 -5,-0.5 -1,-0.2 1,-0.2 -3,-0.1 -0.278 16.5-156.4 -50.2 125.1 -26.6 15.5 35.2 84 90 A N + 0 0 131 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.317 67.7 40.6 -92.6 8.9 -29.9 14.4 36.9 85 91 A Y S S- 0 0 47 -9,-0.1 2,-0.5 -7,-0.1 -7,-0.4 -0.909 84.5-101.2-145.5 172.9 -29.6 16.6 40.0 86 92 A T - 0 0 32 -2,-0.3 2,-0.2 -75,-0.2 -2,-0.0 -0.884 31.7-121.8-107.6 123.7 -28.6 20.2 40.9 87 93 A Y + 0 0 3 -2,-0.5 -13,-2.9 -11,-0.3 3,-0.1 -0.402 35.4 168.5 -59.1 125.4 -25.3 21.0 42.4 88 94 A K B > +H 73 0B 57 -15,-0.2 4,-2.1 -2,-0.2 -15,-0.3 -0.345 19.0 142.7-136.4 52.2 -25.8 22.7 45.7 89 95 A W H > + 0 0 4 -17,-1.4 4,-2.9 2,-0.2 -16,-0.2 0.765 68.3 55.2 -66.8 -31.3 -22.3 22.7 47.2 90 96 A E H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.929 111.6 46.1 -68.0 -41.8 -22.4 26.1 48.9 91 97 A T H >>S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 5,-1.2 0.916 115.1 47.8 -62.2 -44.5 -25.6 24.9 50.8 92 98 A F H <>S+ 0 0 0 -4,-2.1 5,-3.1 3,-0.2 -2,-0.2 0.917 114.7 44.6 -63.3 -46.4 -23.9 21.6 51.6 93 99 A L H <5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.738 123.9 33.6 -73.2 -24.7 -20.6 23.2 52.7 94 100 A T H <5S+ 0 0 16 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.582 135.5 12.7-107.5 -12.8 -22.3 25.9 54.8 95 101 A R T X5S+ 0 0 131 -4,-2.0 4,-1.5 -5,-0.2 -3,-0.2 0.650 124.4 35.6-124.2 -68.1 -25.4 24.2 56.1 96 102 A E H > S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 113.6 49.2 -63.5 -35.6 -21.2 21.4 59.2 99 105 A A H X S+ 0 0 54 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.905 114.5 43.7 -68.9 -43.0 -24.5 20.4 60.9 100 106 A W H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.881 114.4 50.8 -69.7 -39.0 -23.8 16.7 60.4 101 107 A L H X S+ 0 0 1 -4,-2.9 4,-2.1 -5,-0.2 6,-1.5 0.860 109.2 50.9 -67.6 -36.2 -20.2 17.1 61.4 102 108 A Q H X S+ 0 0 110 -4,-2.0 4,-1.1 4,-0.2 -2,-0.2 0.952 115.8 40.0 -66.7 -49.0 -21.1 18.9 64.6 103 109 A A H < S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.836 128.5 30.2 -69.9 -35.1 -23.6 16.3 65.8 104 110 A N H < S+ 0 0 89 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.660 134.1 23.1-101.9 -18.7 -21.7 13.2 64.7 105 111 A K H < S- 0 0 75 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.316 95.8-118.4-130.6 6.8 -18.0 14.2 65.0 106 112 A G < + 0 0 58 -4,-1.1 2,-0.4 -5,-0.2 -4,-0.2 0.798 59.4 152.4 60.2 30.4 -18.0 17.1 67.5 107 113 A V - 0 0 5 -6,-1.5 -1,-0.2 -9,-0.1 -81,-0.2 -0.765 47.0-116.8 -93.8 137.7 -16.6 19.5 65.0 108 114 A S - 0 0 31 -83,-3.0 -81,-0.3 -2,-0.4 -9,-0.1 -0.551 8.5-145.6 -76.8 133.8 -17.5 23.2 65.4 109 115 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.611 83.1 54.6 -70.9 -13.1 -19.5 24.9 62.6 110 116 A T S S+ 0 0 72 1,-0.2 24,-0.3 -12,-0.1 -2,-0.1 -0.794 90.7 37.4-121.3 163.3 -17.6 28.2 63.2 111 117 A G S S+ 0 0 15 22,-2.6 24,-0.2 -2,-0.3 2,-0.2 0.851 81.1 137.2 68.7 38.1 -14.0 29.2 63.3 112 118 A N - 0 0 0 22,-2.5 25,-1.2 -3,-0.2 2,-0.4 -0.525 49.7-116.6-109.4 176.3 -12.8 27.0 60.5 113 119 A A E -de 28 137A 0 -86,-2.6 -84,-3.5 -2,-0.2 2,-0.6 -0.945 12.3-152.7-119.9 136.6 -10.5 27.4 57.5 114 120 A A E -de 29 138A 0 23,-2.4 25,-3.3 -2,-0.4 2,-0.5 -0.921 15.3-177.0-108.4 113.5 -11.3 27.2 53.8 115 121 A V E +de 30 139A 0 -86,-2.9 -84,-2.9 -2,-0.6 2,-0.3 -0.947 9.4 168.9-113.9 120.0 -8.4 26.2 51.6 116 122 A G E - e 0 140A 0 23,-2.5 25,-2.8 -2,-0.5 2,-0.3 -0.907 14.7-162.7-129.4 158.2 -9.0 26.0 47.9 117 123 A L E > - e 0 141A 2 -85,-0.3 3,-1.7 -2,-0.3 4,-0.3 -0.966 58.5 -24.2-138.4 153.6 -6.8 25.6 44.8 118 124 A S T >> S+ 0 0 15 23,-2.4 3,-1.4 -2,-0.3 4,-0.6 -0.201 139.1 13.8 47.7-118.8 -7.3 26.3 41.1 119 125 A M H >> S+ 0 0 5 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.916 139.1 41.4 -47.7 -51.4 -11.0 26.1 40.5 120 126 A S H <> S+ 0 0 0 -3,-1.7 4,-2.4 -88,-0.5 -1,-0.3 0.497 88.5 91.9 -80.5 -3.5 -11.8 26.3 44.2 121 127 A G H <> S+ 0 0 0 -3,-1.4 4,-1.1 -4,-0.3 -5,-0.2 0.913 96.1 37.7 -56.5 -43.8 -9.2 28.9 45.1 122 128 A G H X + 0 0 43 -4,-1.9 4,-2.7 -5,-0.2 3,-0.6 -0.397 63.5 157.0-135.7 58.6 -19.8 33.2 56.0 132 138 A P T 34 S+ 0 0 27 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 0.811 74.8 55.5 -52.8 -36.0 -17.1 35.0 58.1 133 139 A Q T 34 S+ 0 0 147 1,-0.2 -22,-2.6 2,-0.1 -21,-0.2 0.879 113.3 39.9 -68.7 -37.6 -18.2 33.3 61.2 134 140 A Q T <4 S+ 0 0 13 -3,-0.6 -22,-2.5 -24,-0.3 -1,-0.2 0.863 130.4 28.8 -78.0 -35.1 -17.8 29.8 59.7 135 141 A F < + 0 0 0 -4,-2.7 -1,-0.2 -8,-0.2 -22,-0.1 -0.674 56.4 159.3-127.7 79.2 -14.6 30.7 57.9 136 142 A P S S+ 0 0 43 0, 0.0 62,-2.6 0, 0.0 2,-0.4 0.638 77.0 53.0 -72.7 -7.1 -12.5 33.5 59.6 137 143 A Y E +ef 113 198A 0 -25,-1.2 -23,-2.4 60,-0.2 2,-0.4 -0.989 65.7 174.4-130.7 134.0 -9.6 32.1 57.5 138 144 A A E -ef 114 199A 0 60,-2.5 62,-2.1 -2,-0.4 2,-0.4 -0.999 10.5-165.5-142.3 138.6 -9.4 31.5 53.8 139 145 A A E -ef 115 200A 0 -25,-3.3 -23,-2.5 -2,-0.4 2,-0.5 -0.981 1.3-166.8-125.2 134.1 -6.6 30.4 51.5 140 146 A S E -ef 116 201A 0 60,-2.7 62,-2.5 -2,-0.4 2,-0.7 -0.970 5.6-168.0-121.4 113.3 -6.6 30.6 47.7 141 147 A L E S-ef 117 202A 0 -25,-2.8 -23,-2.4 -2,-0.5 -20,-0.2 -0.899 74.2 -26.5-107.3 110.7 -3.9 28.7 45.9 142 148 A S S S+ 0 0 0 60,-2.8 -1,-0.2 -2,-0.7 -21,-0.2 0.885 96.1 164.4 56.0 43.7 -3.6 29.6 42.2 143 149 A G - 0 0 0 59,-0.4 2,-0.7 -22,-0.2 -24,-0.2 -0.259 47.6-115.1 -86.1 176.1 -7.2 30.6 42.0 144 150 A F - 0 0 30 -26,-0.6 -22,-0.1 -25,-0.2 82,-0.1 -0.872 35.7-179.8-113.5 91.9 -9.0 32.7 39.3 145 151 A L + 0 0 0 -2,-0.7 41,-1.8 80,-0.2 42,-0.1 0.169 69.6 46.3 -84.5 15.2 -10.0 35.8 41.4 146 152 A N > + 0 0 26 39,-0.2 3,-1.7 40,-0.1 -1,-0.2 -0.257 62.0 158.1-150.0 52.5 -11.8 37.9 38.8 147 153 A P T 3 S+ 0 0 7 0, 0.0 9,-0.2 0, 0.0 34,-0.1 0.715 72.7 52.1 -51.4 -30.0 -14.2 35.3 37.1 148 154 A S T 3 S+ 0 0 28 32,-0.3 2,-0.2 4,-0.1 33,-0.1 0.633 90.4 99.8 -86.0 -13.0 -16.7 38.0 35.8 149 155 A E S X S- 0 0 89 -3,-1.7 3,-1.5 31,-0.1 -3,-0.1 -0.539 90.9 -50.6 -84.0 139.5 -14.1 40.1 34.1 150 156 A G T 3 S- 0 0 47 1,-0.2 4,-0.3 -2,-0.2 0, 0.0 -0.097 120.1 -5.2 45.5-118.2 -13.3 40.0 30.3 151 157 A W T >> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.1 3,-1.0 0.659 108.0 94.7 -80.9 -18.7 -12.7 36.6 28.8 152 158 A W H <> S+ 0 0 11 -3,-1.5 4,-3.2 1,-0.3 5,-0.3 0.844 78.8 55.8 -45.1 -47.2 -12.8 34.7 32.1 153 159 A P H 3> S+ 0 0 14 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.930 114.1 42.9 -55.0 -39.7 -16.5 33.7 31.8 154 160 A T H <> S+ 0 0 47 -3,-1.0 4,-2.4 -4,-0.3 -2,-0.2 0.931 113.7 49.3 -69.2 -47.5 -15.7 32.2 28.5 155 161 A L H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.894 111.7 49.7 -60.7 -39.8 -12.5 30.5 29.6 156 162 A I H X S+ 0 0 10 -4,-3.2 4,-2.7 -5,-0.3 -1,-0.2 0.922 109.6 52.6 -64.9 -42.1 -14.3 29.1 32.6 157 163 A G H X S+ 0 0 18 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.896 110.0 46.5 -60.6 -43.3 -17.1 27.8 30.4 158 164 A L H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.931 113.0 50.5 -64.9 -44.1 -14.7 26.0 28.1 159 165 A A H X S+ 0 0 22 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.896 110.6 48.9 -60.3 -42.7 -12.8 24.5 31.0 160 166 A M H < S+ 0 0 0 -4,-2.7 6,-2.1 1,-0.2 5,-0.3 0.903 111.8 48.9 -65.6 -40.3 -16.0 23.2 32.6 161 167 A N H X S+ 0 0 75 -4,-2.1 4,-1.2 4,-0.3 -2,-0.2 0.873 111.3 49.8 -67.9 -35.9 -17.1 21.7 29.3 162 168 A D H < S+ 0 0 8 -4,-2.4 2,-1.0 1,-0.2 -1,-0.2 0.797 105.5 61.1 -73.2 -27.1 -13.8 20.0 28.8 163 169 A S T < S- 0 0 3 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 -0.659 139.7 -31.3-101.6 77.9 -13.9 18.6 32.4 164 170 A G T 4 S- 0 0 37 -2,-1.0 -2,-0.2 -3,-0.2 -3,-0.1 0.490 97.5 -85.7 95.0 2.3 -17.0 16.4 32.4 165 171 A G S < S+ 0 0 17 -4,-1.2 -4,-0.3 -5,-0.3 2,-0.2 0.846 72.1 166.1 67.4 34.9 -19.0 18.3 29.9 166 172 A Y - 0 0 31 -6,-2.1 2,-0.6 -3,-0.3 -1,-0.2 -0.534 31.7-131.5 -85.3 152.3 -20.5 20.8 32.4 167 173 A N >> - 0 0 45 -2,-0.2 3,-1.1 1,-0.1 4,-0.8 -0.903 7.1-159.5-110.4 115.5 -22.3 24.0 31.4 168 174 A A H 3> S+ 0 0 7 -2,-0.6 4,-2.4 1,-0.3 5,-0.5 0.748 93.1 63.7 -60.9 -25.6 -21.4 27.3 33.0 169 175 A N H 3> S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.845 100.4 51.3 -68.6 -32.1 -24.7 28.7 32.0 170 176 A S H <4 S+ 0 0 1 -3,-1.1 -94,-1.8 2,-0.2 -95,-1.3 0.733 114.5 47.1 -74.4 -22.1 -26.5 26.2 34.1 171 177 A M H < S- 0 0 1 -4,-0.8 -96,-0.6 -97,-0.2 -2,-0.2 0.968 138.4 -6.5 -83.1 -64.2 -24.2 27.3 37.0 172 178 A W H < S- 0 0 14 -4,-2.4 8,-0.4 1,-0.3 7,-0.3 0.184 95.0-122.7-120.7 15.7 -24.3 31.1 37.0 173 179 A G < - 0 0 6 -4,-1.1 -1,-0.3 -5,-0.5 -2,-0.1 -0.141 62.2 -20.7 69.7-173.5 -26.3 31.9 33.9 174 180 A P S > S- 0 0 68 0, 0.0 3,-2.2 0, 0.0 6,-0.3 -0.178 77.7 -96.0 -62.7 162.5 -24.8 34.1 31.1 175 181 A S T 3 S+ 0 0 75 1,-0.3 6,-0.1 4,-0.1 5,-0.1 0.725 125.3 62.2 -51.6 -22.8 -21.9 36.4 31.9 176 182 A S T 3 S+ 0 0 96 4,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.748 79.6 104.9 -76.8 -25.1 -24.5 39.1 32.4 177 183 A D S X S- 0 0 35 -3,-2.2 3,-1.5 1,-0.1 4,-0.4 -0.257 80.1-121.8 -59.8 142.7 -26.3 37.4 35.3 178 184 A P T >> S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.755 102.9 77.5 -55.2 -30.7 -25.6 38.8 38.8 179 185 A A H 3> S+ 0 0 12 -7,-0.3 4,-1.8 1,-0.2 -6,-0.1 0.833 86.2 61.7 -52.2 -35.2 -24.3 35.5 40.0 180 186 A W H <4 S+ 0 0 5 -3,-1.5 -32,-0.3 -8,-0.4 -1,-0.2 0.897 110.0 36.7 -61.7 -43.1 -21.0 36.1 38.2 181 187 A K H X4 S+ 0 0 109 -3,-0.7 3,-1.5 -4,-0.4 -1,-0.2 0.837 112.3 60.3 -77.8 -32.3 -20.1 39.3 40.2 182 188 A R H 3< S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.845 112.2 39.5 -61.7 -34.2 -21.6 37.8 43.4 183 189 A N T 3< S+ 0 0 14 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.128 90.6 111.8-103.3 19.8 -19.1 35.0 43.2 184 190 A D <> - 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