==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-SEP-13 4MU9 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 73; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 719 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 74.1 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 . 60 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 30 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 0 1 1 0 0 2 0 0 0 2 0 4 2 0 14 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 . 10 7 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 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 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 0 A G 0 0 83 0, 0.0 68,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.5 19.3 3.2 -13.7 2 25 A H > + 0 0 64 1,-0.1 3,-0.9 68,-0.0 358,-0.2 -0.738 360.0 168.9-132.2 78.7 16.3 1.6 -12.0 3 26 A P T 3 S+ 0 0 67 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.719 73.8 43.8 -69.2 -23.0 16.8 -2.1 -12.3 4 27 A F T >> S+ 0 0 44 355,-0.5 4,-1.8 352,-0.4 3,-0.8 0.189 71.5 111.0-111.2 18.2 14.0 -3.3 -9.9 5 28 A V H <> S+ 0 0 33 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.817 76.5 61.2 -57.9 -32.8 11.1 -1.0 -10.8 6 29 A S H 3> S+ 0 0 86 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 104.7 47.7 -62.9 -36.7 9.3 -4.1 -12.2 7 30 A I H <> S+ 0 0 23 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.953 112.6 47.7 -66.6 -51.1 9.4 -5.7 -8.7 8 31 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.868 112.2 51.0 -58.0 -37.6 8.1 -2.4 -7.1 9 32 A D H X S+ 0 0 40 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.914 109.7 50.1 -64.7 -45.3 5.3 -2.2 -9.8 10 33 A S H X S+ 0 0 51 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 110.3 49.3 -59.2 -46.3 4.3 -5.9 -9.1 11 34 A I H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.921 109.3 52.8 -61.1 -46.7 4.0 -5.2 -5.3 12 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.921 113.0 42.8 -54.9 -50.1 1.9 -2.1 -5.8 13 36 A D H X S+ 0 0 70 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.860 116.4 47.8 -68.1 -35.9 -0.6 -4.0 -8.0 14 37 A N H X S+ 0 0 46 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.920 113.3 46.8 -70.3 -45.1 -0.7 -7.1 -5.7 15 38 A V H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.4 0.928 112.6 50.3 -61.9 -47.9 -1.2 -5.0 -2.5 16 39 A L H X S+ 0 0 6 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.914 114.5 45.1 -58.1 -43.8 -4.0 -2.9 -4.2 17 40 A N H < S+ 0 0 104 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.947 121.4 35.1 -65.4 -51.5 -5.7 -6.1 -5.3 18 41 A L H < S+ 0 0 35 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.870 123.2 39.7 -72.3 -41.6 -5.4 -8.1 -2.0 19 42 A Y H < S+ 0 0 1 -4,-2.9 8,-2.3 -5,-0.2 -1,-0.2 0.566 83.6 121.2 -88.4 -16.3 -5.8 -5.3 0.6 20 43 A Q B < -A 26 0A 85 -4,-1.2 2,-0.3 -5,-0.4 6,-0.2 -0.210 44.8-156.0 -57.6 140.9 -8.5 -3.1 -1.0 21 44 A T > - 0 0 30 4,-1.9 3,-1.6 1,-0.0 4,-0.1 -0.798 29.2-112.4-110.7 158.9 -11.8 -2.4 0.9 22 45 A E T 3 S+ 0 0 207 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.752 115.9 57.7 -60.6 -30.8 -15.2 -1.4 -0.8 23 46 A D T 3 S- 0 0 60 1,-0.0 -1,-0.3 63,-0.0 3,-0.1 0.230 125.9 -96.9 -87.8 11.9 -15.0 2.1 0.8 24 47 A G S < S+ 0 0 43 -3,-1.6 -2,-0.1 1,-0.2 2,-0.1 0.722 88.6 105.9 81.1 28.9 -11.6 2.8 -0.9 25 48 A L - 0 0 3 24,-0.1 -4,-1.9 -4,-0.1 2,-0.3 -0.368 64.5-110.6-118.9-166.6 -9.2 2.0 1.9 26 49 A L B -A 20 0A 6 -6,-0.2 25,-1.5 -2,-0.1 -6,-0.2 -0.994 26.6-113.9-133.4 141.1 -6.8 -0.9 2.7 27 50 A T - 0 0 26 -8,-2.3 24,-0.2 -2,-0.3 319,-0.1 -0.321 26.7-117.8 -70.2 157.5 -6.9 -3.6 5.4 28 51 A E S S+ 0 0 11 22,-0.3 318,-2.6 317,-0.1 319,-0.3 0.862 93.0 3.2 -62.2 -38.2 -4.3 -3.6 8.2 29 52 A T E S-B 345 0B 7 316,-0.2 316,-0.2 317,-0.1 -1,-0.1 -0.891 80.7 -96.5-140.5 170.4 -3.1 -7.1 7.1 30 53 A Y E S+B 344 0B 66 314,-1.6 314,-2.0 -2,-0.3 2,-0.2 -0.959 111.1 25.8-139.0 122.2 -3.6 -9.8 4.4 31 54 A P S S- 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.625 111.2-108.9 -66.0 169.5 -5.4 -12.0 5.0 32 55 A V - 0 0 87 -2,-0.2 -2,-0.1 311,-0.1 3,-0.1 -0.514 23.3-137.9 -69.9 135.8 -7.4 -10.1 7.6 33 56 A N > - 0 0 36 -2,-0.2 3,-1.4 1,-0.1 -5,-0.1 -0.854 6.3-158.0 -92.0 115.6 -6.8 -11.2 11.3 34 57 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.824 96.7 45.9 -63.8 -25.6 -10.3 -11.3 13.1 35 58 A D T 3 S+ 0 0 139 -3,-0.1 12,-0.0 12,-0.1 -2,-0.0 -0.229 87.1 170.9-106.4 36.3 -8.4 -11.0 16.4 36 59 A Q < - 0 0 55 -3,-1.4 2,-0.4 12,-0.1 12,-0.1 -0.250 16.1-160.9 -55.8 128.8 -6.1 -8.1 15.2 37 60 A K - 0 0 89 685,-0.0 2,-0.5 2,-0.0 -2,-0.0 -0.917 6.8-152.4-112.2 139.9 -4.1 -6.4 17.9 38 61 A I + 0 0 41 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.967 19.5 169.9-115.2 113.1 -2.6 -2.9 17.4 39 62 A T + 0 0 68 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.0 0.420 60.2 73.9-103.4 -2.2 0.6 -2.4 19.5 40 63 A Y S S+ 0 0 54 2,-0.1 2,-0.2 3,-0.1 -1,-0.1 0.217 71.8 100.0-102.0 14.8 2.0 0.9 18.1 41 64 A L S S- 0 0 55 -3,-0.3 121,-0.0 1,-0.1 -3,-0.0 -0.663 84.4 -85.2-101.0 157.6 -0.4 3.5 19.6 42 65 A A 0 0 27 1,-0.3 -1,-0.1 -2,-0.2 69,-0.1 -0.325 360.0 360.0 -58.3 132.0 0.0 5.8 22.7 43 66 A G 0 0 60 122,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.537 360.0 360.0 75.2 360.0 -1.0 3.9 25.8 44 ! 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 45 71 A N 0 0 187 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-136.8 -13.4 -1.2 20.9 46 72 A G - 0 0 60 1,-0.2 2,-0.1 0, 0.0 0, 0.0 0.080 360.0 -38.3 -91.3-157.3 -15.1 -3.1 18.0 47 73 A T - 0 0 104 1,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.433 56.9-119.0 -72.9 140.5 -13.9 -4.6 14.7 48 74 A L + 0 0 55 -2,-0.1 -1,-0.1 -14,-0.1 3,-0.1 -0.560 27.9 178.8 -77.0 139.7 -11.3 -2.8 12.6 49 75 A K + 0 0 105 -2,-0.2 2,-0.3 1,-0.1 -24,-0.1 0.331 66.9 18.0-123.4 2.9 -12.6 -1.9 9.1 50 76 A A S S- 0 0 3 -25,-0.1 -22,-0.3 54,-0.0 -23,-0.2 -0.926 84.5 -91.6-158.9 172.6 -9.4 -0.1 7.7 51 77 A S - 0 0 0 -25,-1.5 -25,-0.1 -2,-0.3 -2,-0.1 -0.496 45.5-101.4 -86.1 166.5 -5.7 0.2 8.4 52 78 A F > - 0 0 14 -2,-0.2 4,-1.6 51,-0.1 51,-0.2 -0.248 39.3-101.0 -77.7 170.3 -4.2 2.9 10.7 53 79 A L H > S+ 0 0 0 49,-2.3 4,-2.9 2,-0.2 5,-0.2 0.884 114.3 62.6 -62.8 -43.7 -2.6 6.0 9.1 54 80 A W H > S+ 0 0 36 48,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.945 110.5 36.1 -51.3 -57.8 1.1 4.8 9.5 55 81 A P H >4 S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.912 116.1 55.3 -66.5 -35.8 0.8 1.6 7.3 56 82 A Y H >< S+ 0 0 2 -4,-1.6 3,-1.9 1,-0.2 4,-0.5 0.914 100.3 60.7 -58.2 -43.9 -1.6 3.4 4.9 57 83 A S H >X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.3 3,-0.6 0.673 88.6 70.9 -57.0 -25.4 1.0 6.2 4.4 58 84 A G H S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.5 -1,-0.2 0.835 104.4 48.5 -69.0 -34.6 1.4 3.5 -0.2 60 86 A X H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.5 5,-0.2 0.909 111.1 48.9 -71.8 -43.9 1.9 7.3 -0.8 61 87 A S H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.926 115.1 47.1 -59.6 -44.6 5.8 7.0 -0.3 62 88 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.908 113.0 45.9 -61.7 -51.6 5.8 4.0 -2.7 63 89 A C H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.855 115.1 47.5 -61.7 -40.6 3.6 5.7 -5.4 64 90 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 112.0 50.1 -67.7 -43.7 5.6 9.0 -5.3 65 91 A A H X S+ 0 0 5 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.900 112.0 48.8 -59.4 -42.3 8.9 7.1 -5.4 66 92 A X H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.4 0.877 110.9 48.9 -68.2 -38.5 7.7 5.1 -8.5 67 93 A Y H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.882 114.0 47.4 -66.7 -38.0 6.5 8.3 -10.3 68 94 A Q H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.929 115.9 44.0 -65.3 -49.0 9.9 9.9 -9.6 69 95 A A H < S+ 0 0 21 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.798 132.1 17.3 -64.5 -39.4 11.9 6.8 -10.8 70 96 A T H < S- 0 0 58 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.703 79.3-139.0-110.0 -32.4 9.8 6.1 -14.0 71 97 A G < + 0 0 47 -4,-1.9 2,-0.5 -5,-0.4 -4,-0.1 0.582 48.8 155.2 75.4 12.2 7.8 9.1 -14.9 72 98 A D >> - 0 0 76 -6,-0.4 3,-1.6 1,-0.1 4,-0.7 -0.639 45.5-144.6 -79.8 121.4 4.9 6.7 -15.7 73 99 A K H 3> S+ 0 0 127 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.655 91.9 81.4 -56.8 -20.0 1.4 8.3 -15.5 74 100 A K H 3> S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.897 95.9 43.5 -50.7 -44.9 0.1 4.9 -14.2 75 101 A Y H <> S+ 0 0 9 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.825 110.0 54.6 -74.0 -33.8 1.4 6.0 -10.7 76 102 A K H X S+ 0 0 25 -4,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.930 109.5 49.1 -63.7 -44.7 0.1 9.5 -10.9 77 103 A T H X S+ 0 0 72 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.884 108.6 52.3 -61.1 -44.0 -3.4 8.0 -11.7 78 104 A I H X>S+ 0 0 18 -4,-1.7 4,-2.1 -5,-0.2 5,-2.0 0.928 113.7 44.5 -60.2 -43.2 -3.1 5.6 -8.6 79 105 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 3,-0.2 -2,-0.2 0.930 117.6 43.3 -65.8 -47.7 -2.3 8.6 -6.4 80 106 A E H <5S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.842 126.6 28.7 -67.5 -40.6 -5.0 10.9 -7.8 81 107 A K H <5S+ 0 0 161 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.706 136.2 11.5 -95.3 -27.6 -7.9 8.4 -7.9 82 108 A R T X5S+ 0 0 97 -4,-2.1 4,-1.3 -5,-0.4 -3,-0.2 0.780 122.2 39.8-117.0 -58.8 -7.1 5.9 -5.1 83 109 A I H > S+ 0 0 61 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.855 113.5 50.6 -66.3 -29.3 -8.8 10.3 -1.7 86 112 A G H >< S+ 0 0 2 -4,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.927 107.9 51.5 -68.9 -44.6 -8.2 7.4 0.7 87 113 A L H >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.2 4,-0.2 0.856 100.6 63.4 -59.6 -38.4 -5.8 9.5 2.8 88 114 A E H >< S+ 0 0 77 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.723 85.9 72.4 -59.6 -24.1 -8.4 12.3 3.0 89 115 A Q T << S+ 0 0 51 -3,-1.1 16,-2.4 -4,-0.5 17,-0.4 0.635 98.2 50.8 -66.2 -12.5 -10.7 9.9 5.0 90 116 A Y T < S+ 0 0 0 -3,-2.0 11,-2.5 14,-0.3 2,-0.4 0.451 80.3 121.1 -99.7 -9.6 -8.2 10.5 7.9 91 117 A W E < -C 100 0C 66 -3,-1.5 2,-0.7 9,-0.2 9,-0.2 -0.498 43.7-167.3 -66.8 115.4 -8.3 14.4 7.7 92 118 A D E +C 99 0C 6 7,-3.1 7,-1.5 -2,-0.4 -1,-0.1 -0.893 21.0 161.5-106.4 99.1 -9.4 15.8 11.1 93 119 A G + 0 0 42 -2,-0.7 5,-0.2 5,-0.2 -1,-0.1 0.364 64.7 76.1 -94.5 0.7 -10.2 19.6 10.6 94 120 A E S S+ 0 0 157 3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.919 91.5 51.2 -78.6 -49.5 -12.3 19.6 13.9 95 121 A R S S- 0 0 49 4,-0.1 4,-0.2 2,-0.1 -3,-0.1 -0.739 104.7 -82.6 -91.9 139.2 -9.3 19.7 16.3 96 122 A L S S+ 0 0 131 -2,-0.3 2,-0.2 2,-0.1 -3,-0.1 -0.796 105.7 30.0-113.6 149.4 -6.7 22.3 15.6 97 123 A P S S- 0 0 49 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.573 99.6-118.2 -63.7 148.5 -4.3 22.8 13.8 98 124 A A + 0 0 26 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.312 52.5 140.5 -61.9 142.5 -6.0 20.5 11.2 99 125 A C E -C 92 0C 0 -7,-1.5 -7,-3.1 -4,-0.2 2,-0.6 -0.943 55.6 -68.6-164.5-178.6 -4.0 17.3 10.3 100 126 A Y E -C 91 0C 0 -2,-0.3 13,-0.5 -9,-0.2 -9,-0.2 -0.813 47.0-149.0 -92.0 122.5 -4.4 13.6 9.5 101 127 A Q - 0 0 2 -11,-2.5 11,-0.2 -2,-0.6 10,-0.1 -0.442 27.3-102.9 -83.8 163.7 -5.5 11.6 12.6 102 128 A S S S+ 0 0 4 9,-3.0 -49,-2.3 -2,-0.1 -48,-0.2 0.594 101.0 28.5 -66.8 -17.8 -4.4 7.9 13.1 103 129 A Y S S- 0 0 9 -51,-0.2 7,-0.2 8,-0.2 -2,-0.2 -0.947 104.6 -71.6-142.2 152.8 -7.7 6.2 12.0 104 130 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -14,-0.3 -0.229 38.0-130.3 -54.4 138.4 -10.6 7.3 9.6 105 131 A V G > S+ 0 0 59 -16,-2.4 3,-1.7 1,-0.3 -15,-0.1 0.676 102.4 71.8 -60.0 -24.4 -12.7 10.2 10.8 106 132 A K G 3 S+ 0 0 104 -17,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.600 95.0 56.4 -68.2 -12.5 -16.0 8.4 10.0 107 133 A Y G < S- 0 0 76 -3,-1.8 -1,-0.3 1,-0.4 -2,-0.2 0.211 119.8-107.0-101.7 14.0 -15.1 6.2 13.0 108 134 A G < - 0 0 38 -3,-1.7 -1,-0.4 2,-0.0 2,-0.3 -0.433 62.8 -19.1 94.8-169.8 -14.9 9.2 15.4 109 135 A Q + 0 0 106 -2,-0.1 2,-0.3 -3,-0.1 3,-0.0 -0.564 64.0 173.5 -75.1 131.3 -11.9 11.0 17.0 110 136 A H - 0 0 37 -2,-0.3 -8,-0.1 -7,-0.2 -7,-0.1 -0.908 41.5 -66.7-134.1 160.6 -8.7 9.0 17.2 111 137 A G - 0 0 21 -2,-0.3 -9,-3.0 -10,-0.1 2,-0.5 -0.081 42.6-143.4 -49.2 143.4 -5.1 9.9 18.3 112 138 A R - 0 0 0 -11,-0.2 51,-2.2 -10,-0.1 52,-0.5 -0.951 13.1-158.3-115.4 127.6 -3.2 12.5 16.2 113 139 A Y B > -D 162 0D 12 -13,-0.5 4,-1.3 -2,-0.5 49,-0.2 -0.918 17.9-151.6-114.1 130.6 0.5 12.0 15.8 114 140 A Y H > S+ 0 0 0 47,-2.0 4,-1.0 -2,-0.5 -1,-0.1 0.914 101.3 49.7 -60.4 -43.8 3.1 14.7 15.0 115 141 A D H >> S+ 0 0 14 46,-0.7 4,-1.7 2,-0.2 3,-0.6 0.876 102.8 58.8 -67.2 -38.0 5.4 12.1 13.3 116 142 A D H 3> S+ 0 0 16 1,-0.2 4,-1.3 45,-0.2 -1,-0.2 0.892 108.2 49.1 -52.4 -44.7 2.6 10.5 11.1 117 143 A N H 3X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.759 103.9 59.2 -69.7 -24.8 2.1 14.1 9.6 118 144 A I H > - 0 0 77 -6,-0.3 3,-1.9 -5,-0.2 4,-0.7 -0.662 42.4-141.7 -78.3 111.2 0.0 21.2 -8.4 134 160 A A H >> S+ 0 0 56 -2,-0.7 4,-1.9 1,-0.3 3,-0.5 0.755 93.6 67.7 -38.1 -46.0 -0.5 24.1 -5.9 135 161 A D H 3> S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.766 96.8 53.9 -49.6 -38.8 -2.7 21.9 -3.5 136 162 A Y H <> S+ 0 0 23 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.888 108.0 47.3 -70.3 -40.4 0.3 19.7 -2.5 137 163 A L H < S+ 0 0 0 -4,-1.5 3,-0.8 2,-0.2 4,-0.4 0.918 111.7 53.0 -66.7 -46.1 0.7 21.4 12.9 147 173 A I H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.928 111.1 45.9 -55.5 -49.3 4.1 19.6 13.3 148 174 A Y H >< S+ 0 0 29 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.599 96.0 71.4 -76.6 -5.5 5.6 22.7 14.9 149 175 A S T << S+ 0 0 47 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.616 93.7 62.7 -77.4 -9.7 2.6 23.2 17.2 150 176 A G T < S+ 0 0 0 -3,-1.4 10,-2.3 -4,-0.4 -1,-0.2 0.400 85.0 96.5 -90.7 -3.3 4.2 20.1 18.8 151 177 A W B < +F 159 0E 48 -3,-1.2 2,-0.3 8,-0.2 8,-0.2 -0.591 49.6 170.1 -84.4 149.9 7.4 22.0 19.6 152 178 A S - 0 0 20 6,-1.3 5,-0.0 -2,-0.2 -2,-0.0 -0.963 45.8-116.3-152.3 162.3 7.8 23.5 23.2 153 179 A D S > S+ 0 0 143 -2,-0.3 3,-2.0 3,-0.1 2,-0.1 0.501 77.2 119.3 -78.7 -8.4 10.6 25.2 25.2 154 180 A E G > S+ 0 0 86 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 -0.447 86.1 10.7 -59.9 128.2 10.5 22.2 27.7 155 181 A L G 3 S- 0 0 48 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.608 135.5 -68.2 71.1 16.9 13.9 20.4 27.7 156 182 A G G < S- 0 0 61 -3,-2.0 2,-0.3 2,-0.1 -1,-0.2 0.398 103.7 -42.4 83.9 2.5 15.3 23.4 25.7 157 183 A G S < S+ 0 0 0 -3,-1.1 -4,-0.1 1,-0.1 43,-0.0 -0.946 73.2 129.0 142.2-163.7 13.2 22.5 22.6 158 184 A G - 0 0 0 -2,-0.3 -6,-1.3 16,-0.1 2,-0.3 0.069 52.4 -88.1 94.2 158.6 12.2 19.5 20.5 159 185 A I B -F 151 0E 0 11,-0.3 11,-1.3 -8,-0.2 -8,-0.2 -0.829 32.4-127.6-106.9 141.8 8.9 18.1 19.2 160 186 A F - 0 0 7 -10,-2.3 9,-0.2 -2,-0.3 3,-0.1 -0.023 11.0-137.9 -71.0 179.5 6.5 15.7 21.0 161 187 A W S S+ 0 0 54 7,-0.5 -47,-2.0 1,-0.3 -46,-0.7 0.796 82.8 33.1-108.7 -57.8 5.1 12.4 19.4 162 188 A C B > -DE 113 165D 2 3,-0.5 3,-1.7 -49,-0.2 -1,-0.3 -0.949 63.7-150.5-112.8 118.9 1.4 12.1 20.2 163 189 A E T 3 S+ 0 0 29 -51,-2.2 3,-0.3 -2,-0.5 -50,-0.1 0.758 100.1 49.8 -52.1 -33.4 -0.7 15.3 20.5 164 190 A Q T 3 S+ 0 0 92 -52,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.502 118.6 37.2 -87.7 -5.3 -3.0 13.6 23.1 165 191 A Q B < -E 162 0D 58 -3,-1.7 2,-1.6 3,-0.1 -3,-0.5 -0.621 68.4-179.5-148.0 74.8 -0.1 12.3 25.3 166 192 A K + 0 0 93 -3,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.602 36.0 126.0 -83.8 81.4 2.7 15.0 25.5 167 193 A E + 0 0 70 -2,-1.6 55,-1.9 1,-0.2 2,-0.3 0.563 66.4 16.2-113.2 -19.5 5.1 13.1 27.8 168 194 A A E -G 221 0F 8 -3,-0.3 -7,-0.5 53,-0.3 2,-0.5 -0.982 63.7-119.0-154.3 162.1 8.5 13.1 25.8 169 195 A K E -G 220 0F 0 51,-2.5 51,-2.2 -2,-0.3 2,-0.3 -0.942 39.8-154.8-108.3 124.9 10.4 14.6 22.9 170 196 A H E >> -G 219 0F 21 -11,-1.3 3,-1.3 -2,-0.5 4,-0.9 -0.803 30.0-140.1-113.1 146.1 11.4 11.9 20.2 171 197 A T H >> S+ 0 0 0 47,-2.4 4,-3.0 -2,-0.3 3,-0.8 0.896 108.7 60.9 -64.0 -37.1 14.1 11.4 17.5 172 198 A C H 34 S+ 0 0 4 46,-0.5 -1,-0.3 1,-0.2 47,-0.1 0.592 111.6 38.7 -64.7 -14.2 11.2 10.0 15.3 173 199 A S H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 -14,-0.2 -2,-0.2 0.426 124.1 38.2-112.9 -12.8 9.5 13.5 15.5 174 200 A N H X S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 3,-0.8 0.971 114.7 38.8 -67.2 -53.5 15.0 14.0 12.8 176 202 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.819 111.1 63.1 -66.9 -24.1 12.5 13.7 9.8 177 203 A S H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.835 101.0 51.2 -60.5 -37.4 11.2 17.2 10.9 178 204 A T H > - 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