==== 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 HYDROLASE 24-FEB-11 3QUT . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.PATSKOVSKY,H.HUANG,R.TORO,J.A.GERLT,S.K.BURLEY,D.DUNAWAY-M . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 1 2 0 0 1 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 1 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 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 H > 0 0 194 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 66.9 19.4 -24.6 -27.1 2 1 A M H > + 0 0 64 223,-0.3 4,-2.7 1,-0.2 223,-0.1 0.875 360.0 52.8 -71.3 -41.6 19.2 -23.1 -23.6 3 2 A R H 4 S+ 0 0 133 221,-0.8 -1,-0.2 1,-0.2 222,-0.1 0.903 112.5 47.6 -58.8 -40.7 21.7 -25.3 -21.7 4 3 A K H 4 S+ 0 0 183 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.920 122.0 32.7 -66.1 -41.6 24.4 -24.6 -24.3 5 4 A K H < S+ 0 0 91 -4,-1.8 -2,-0.2 161,-0.1 -1,-0.2 0.788 89.0 104.4 -91.7 -29.5 23.9 -20.8 -24.4 6 5 A L < + 0 0 12 -4,-2.7 162,-0.2 -5,-0.2 161,-0.1 -0.296 26.4 154.4 -66.6 131.7 22.8 -19.8 -20.9 7 6 A K + 0 0 110 160,-3.2 102,-2.6 1,-0.3 2,-0.3 0.571 60.0 30.4-120.5 -26.3 25.5 -18.0 -18.8 8 7 A A E -ab 109 168A 2 159,-1.9 161,-1.2 100,-0.2 2,-0.5 -0.984 53.7-148.4-143.2 148.9 23.6 -15.9 -16.3 9 8 A V E -ab 110 169A 0 100,-2.0 102,-2.4 -2,-0.3 2,-0.8 -0.988 18.8-151.3-119.8 122.9 20.4 -15.7 -14.3 10 9 A L E -ab 111 170A 0 159,-3.4 161,-2.7 -2,-0.5 2,-0.5 -0.854 16.2-163.9-103.4 105.3 19.2 -12.2 -13.6 11 10 A F E -ab 112 171A 0 100,-3.2 102,-2.5 -2,-0.8 161,-0.1 -0.776 13.8-139.0 -94.0 128.3 17.2 -12.1 -10.4 12 11 A D - 0 0 6 159,-2.4 5,-0.4 -2,-0.5 102,-0.2 -0.368 17.4-141.0 -63.8 160.1 14.9 -9.3 -9.3 13 12 A M S >>>S+ 0 0 0 100,-0.4 5,-2.1 3,-0.2 4,-1.8 0.915 74.8 59.9 -92.4 -70.5 15.2 -8.5 -5.6 14 13 A N B 345S+f 18 0B 21 1,-0.3 159,-0.3 2,-0.2 5,-0.2 -0.472 121.8 6.7 -71.0 128.4 11.8 -7.7 -4.0 15 14 A G T 345S+ 0 0 1 3,-2.6 -1,-0.3 -2,-0.3 178,-0.2 0.456 134.0 53.0 82.8 0.9 9.4 -10.6 -4.2 16 15 A V T <45S+ 0 0 0 -3,-1.8 -3,-0.2 2,-0.4 -2,-0.2 0.558 124.2 12.7-126.5 -60.5 12.1 -12.9 -5.7 17 16 A L T <5S+ 0 0 0 -4,-1.8 76,-2.6 -5,-0.4 2,-0.4 0.862 132.5 37.1 -87.1 -43.6 15.2 -12.8 -3.4 18 17 A F B > + 0 0 3 -2,-1.7 4,-2.2 70,-0.2 3,-0.6 0.584 40.8 86.1-101.8 -15.3 9.5 -7.9 1.3 21 20 A M H 3> S+ 0 0 9 -3,-0.4 4,-3.0 1,-0.2 5,-0.3 0.830 82.1 59.1 -67.1 -30.1 6.4 -7.3 -0.8 22 21 A P H 3> S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.901 112.2 44.6 -59.0 -32.7 3.8 -8.1 1.9 23 22 A Y H <> S+ 0 0 55 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.910 113.4 47.1 -79.6 -41.1 5.5 -5.3 3.8 24 23 A H H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.927 115.6 48.0 -61.7 -43.0 5.7 -2.9 0.9 25 24 A S H X S+ 0 0 5 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.936 112.8 46.6 -63.4 -47.4 2.1 -3.7 0.1 26 25 A E H X S+ 0 0 57 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.908 112.4 50.7 -62.0 -43.1 0.8 -3.3 3.6 27 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.904 113.9 44.3 -63.0 -43.2 2.7 0.0 4.1 28 27 A W H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.927 115.4 47.5 -66.6 -46.4 1.3 1.5 0.9 29 28 A H H X S+ 0 0 21 -4,-2.9 4,-2.1 -5,-0.2 10,-0.3 0.941 116.7 43.4 -58.6 -47.4 -2.2 0.3 1.6 30 29 A Q H X S+ 0 0 56 -4,-3.0 4,-2.3 -5,-0.2 5,-0.2 0.902 111.2 51.8 -71.5 -41.8 -2.1 1.6 5.2 31 30 A V H X S+ 0 0 3 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.934 113.5 45.9 -60.4 -42.7 -0.5 5.0 4.5 32 31 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.2 3,-0.5 0.932 110.1 54.5 -67.1 -39.6 -3.0 5.7 1.8 33 32 A K H ><5S+ 0 0 121 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.874 104.1 53.8 -58.2 -41.9 -5.9 4.6 4.1 34 33 A T H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 107.9 51.4 -68.6 -25.5 -4.8 7.0 6.9 35 34 A H T <<5S- 0 0 81 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.341 124.2-108.7 -85.2 5.8 -5.0 9.8 4.2 36 35 A G T < 5S+ 0 0 57 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.734 79.0 127.9 72.3 25.6 -8.6 8.5 3.4 37 36 A L < - 0 0 13 -5,-2.8 2,-0.7 -6,-0.1 -1,-0.3 -0.874 57.2-127.1-117.4 148.1 -7.5 7.1 0.0 38 37 A D + 0 0 102 -2,-0.3 2,-0.4 21,-0.1 -9,-0.1 -0.836 39.6 150.2-103.6 108.2 -8.1 3.6 -1.3 39 38 A L - 0 0 0 -2,-0.7 -6,-0.2 -10,-0.3 -7,-0.1 -0.930 37.8-141.9-130.7 107.4 -5.1 1.6 -2.6 40 39 A S > - 0 0 46 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.248 19.5-115.2 -69.6 160.7 -5.8 -2.1 -2.0 41 40 A R H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.896 119.2 49.7 -59.8 -42.0 -3.1 -4.5 -1.0 42 41 A E H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.915 107.9 54.0 -65.4 -41.7 -3.4 -6.3 -4.3 43 42 A E H > S+ 0 0 42 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.875 100.2 60.1 -61.4 -35.5 -3.1 -3.0 -6.2 44 43 A A H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.892 102.7 53.5 -59.6 -36.8 0.1 -2.1 -4.5 45 44 A Y H >< S+ 0 0 18 -4,-1.1 3,-1.4 -3,-0.4 -1,-0.2 0.898 103.6 56.4 -62.5 -38.8 1.5 -5.3 -6.0 46 45 A M H 3< S+ 0 0 70 -4,-1.5 130,-0.3 1,-0.3 -1,-0.2 0.875 107.4 49.1 -58.4 -36.8 0.4 -4.2 -9.5 47 46 A H T >< S+ 0 0 21 -4,-1.6 3,-2.6 -3,-0.1 2,-0.3 0.310 75.3 136.7 -90.1 10.3 2.5 -1.0 -9.0 48 47 A E T < S+ 0 0 25 -3,-1.4 128,-0.4 1,-0.3 129,-0.2 -0.405 72.4 30.2 -61.6 119.1 5.6 -2.7 -7.9 49 48 A G T 3 S+ 0 0 45 1,-0.5 -1,-0.3 -2,-0.3 2,-0.1 0.007 92.6 115.9 116.6 -29.0 8.4 -0.9 -9.8 50 49 A R S < S- 0 0 93 -3,-2.6 -1,-0.5 1,-0.1 98,-0.0 -0.427 72.0-104.9 -71.5 150.1 6.7 2.5 -10.1 51 50 A T > - 0 0 92 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.298 30.3-111.1 -62.7 156.9 8.2 5.6 -8.4 52 51 A G H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.939 120.2 53.3 -54.0 -48.4 6.5 6.8 -5.2 53 52 A A H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 109.1 46.7 -53.2 -49.2 5.4 9.9 -7.1 54 53 A S H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 113.9 48.0 -63.3 -45.5 3.7 7.8 -9.9 55 54 A T H X S+ 0 0 6 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.932 113.7 47.0 -56.4 -50.6 1.9 5.5 -7.4 56 55 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 3,-0.2 0.932 111.7 50.9 -60.7 -46.0 0.7 8.4 -5.3 57 56 A N H X S+ 0 0 34 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.840 102.9 59.2 -64.5 -35.9 -0.5 10.3 -8.4 58 57 A I H X S+ 0 0 52 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.927 114.1 38.1 -54.3 -45.6 -2.4 7.3 -9.8 59 58 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 5,-0.3 0.934 117.2 49.4 -74.5 -46.6 -4.5 7.4 -6.5 60 59 A F H X>S+ 0 0 8 -4,-3.0 4,-2.7 1,-0.2 6,-1.1 0.915 112.0 49.1 -57.5 -46.0 -4.7 11.2 -6.2 61 60 A Q H X5S+ 0 0 93 -4,-3.0 4,-0.9 4,-0.2 -1,-0.2 0.924 115.3 42.3 -62.7 -46.4 -5.9 11.6 -9.9 62 61 A R H <5S+ 0 0 122 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.766 126.5 30.8 -75.0 -24.6 -8.6 8.9 -9.7 63 62 A E H <5S+ 0 0 84 -4,-2.0 -2,-0.2 3,-0.2 -3,-0.2 0.797 132.6 24.8-102.4 -35.3 -9.9 9.9 -6.2 64 63 A L H <5S- 0 0 82 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.443 96.1-123.2-111.5 -5.0 -9.4 13.7 -5.9 65 64 A G S < - 0 0 57 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.383 26.3-108.2 -75.6 165.1 2.1 18.3 -4.8 70 69 A Q H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 123.8 54.4 -60.2 -34.0 5.8 17.6 -4.4 71 70 A E H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.848 109.1 47.1 -66.8 -38.3 5.3 18.3 -0.6 72 71 A E H > S+ 0 0 64 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.873 112.8 49.3 -70.5 -38.3 2.5 15.7 -0.5 73 72 A I H X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 112.1 47.3 -66.3 -47.3 4.6 13.1 -2.3 74 73 A E H X S+ 0 0 134 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.893 115.5 45.5 -61.8 -41.2 7.6 13.6 -0.0 75 74 A S H X S+ 0 0 55 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.906 112.9 48.2 -75.3 -40.2 5.5 13.4 3.1 76 75 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 112.4 50.1 -65.5 -39.7 3.5 10.3 2.0 77 76 A Y H X S+ 0 0 105 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.865 110.2 50.2 -65.8 -35.8 6.7 8.5 1.0 78 77 A H H X S+ 0 0 117 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.940 111.5 48.6 -62.7 -47.6 8.2 9.4 4.4 79 78 A E H X S+ 0 0 71 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 110.3 51.4 -57.3 -45.1 5.1 8.0 6.1 80 79 A K H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.912 110.2 49.0 -62.5 -41.7 5.3 4.8 4.0 81 80 A S H X S+ 0 0 40 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.881 108.3 53.1 -63.4 -43.6 9.0 4.3 5.0 82 81 A I H X S+ 0 0 98 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.948 113.7 44.1 -57.1 -47.5 8.2 4.8 8.7 83 82 A L H >X S+ 0 0 45 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.945 112.9 50.0 -63.2 -51.1 5.5 2.1 8.4 84 83 A F H >< S+ 0 0 20 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.909 111.8 47.9 -54.8 -45.7 7.6 -0.3 6.4 85 84 A N H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.706 103.4 62.9 -73.2 -18.5 10.5 -0.0 8.8 86 85 A S H << S+ 0 0 83 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.647 93.0 79.0 -76.5 -18.1 8.2 -0.6 11.8 87 86 A Y S << S- 0 0 48 -3,-1.0 3,-0.1 -4,-0.8 -64,-0.0 -0.380 103.6 -75.9 -78.4 166.9 7.4 -4.0 10.4 88 87 A P - 0 0 86 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.256 60.2 -88.7 -60.0 154.8 9.8 -7.0 10.9 89 88 A E - 0 0 129 1,-0.1 2,-0.2 -3,-0.1 -4,-0.0 -0.412 52.6-100.9 -60.6 135.5 12.8 -7.0 8.7 90 89 A A - 0 0 18 -3,-0.1 -70,-0.2 -2,-0.1 2,-0.1 -0.424 38.4-142.9 -60.9 129.1 12.1 -8.9 5.4 91 90 A E - 0 0 87 -72,-0.4 -72,-3.2 -2,-0.2 -1,-0.1 -0.416 31.9 -80.4 -84.9 163.0 13.4 -12.5 5.4 92 91 A R B -G 18 0B 99 -74,-0.2 -74,-0.3 -2,-0.1 -1,-0.1 -0.380 54.7-104.4 -54.6 139.0 14.9 -14.3 2.4 93 92 A M >> - 0 0 15 -76,-2.6 3,-2.4 1,-0.1 4,-0.5 -0.532 39.4-107.7 -67.2 129.5 12.2 -15.6 0.2 94 93 A P T 34 S+ 0 0 91 0, 0.0 120,-0.5 0, 0.0 119,-0.3 -0.369 108.9 27.0 -56.3 132.9 11.8 -19.4 0.7 95 94 A G T 3> S+ 0 0 0 118,-0.2 4,-2.4 119,-0.1 5,-0.2 0.146 96.0 96.7 99.5 -22.9 13.3 -21.0 -2.5 96 95 A A H <> S+ 0 0 0 -3,-2.4 4,-2.5 2,-0.2 5,-0.2 0.952 86.4 42.8 -69.8 -50.5 15.7 -18.1 -3.3 97 96 A W H X S+ 0 0 74 -4,-0.5 4,-2.9 1,-0.2 5,-0.2 0.934 116.4 51.6 -54.4 -45.6 18.8 -19.6 -1.6 98 97 A E H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.899 111.2 44.1 -63.4 -46.1 17.9 -23.0 -3.1 99 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.902 113.9 51.9 -66.2 -41.7 17.5 -21.7 -6.7 100 99 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 111.6 46.6 -57.3 -47.9 20.7 -19.6 -6.4 101 100 A Q H X S+ 0 0 110 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.916 112.6 50.8 -61.9 -44.0 22.6 -22.7 -5.2 102 101 A K H X S+ 0 0 51 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.947 112.8 43.9 -60.3 -50.1 21.2 -24.8 -8.0 103 102 A V H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-0.4 0.897 112.3 53.5 -65.8 -36.9 22.0 -22.4 -10.8 104 103 A K H ><5S+ 0 0 107 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.929 105.8 53.4 -61.2 -41.0 25.5 -21.8 -9.3 105 104 A S H 3<5S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.744 103.9 57.5 -67.8 -23.2 26.1 -25.6 -9.3 106 105 A E T 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.363 123.9-105.0 -82.9 2.4 25.2 -25.6 -13.1 107 106 A G T < 5S+ 0 0 65 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.628 74.9 140.6 82.8 14.4 28.0 -23.1 -13.8 108 107 A L < - 0 0 9 -5,-2.3 -1,-0.3 -6,-0.2 -100,-0.2 -0.596 50.9-125.6 -90.1 154.3 25.6 -20.1 -14.2 109 108 A T E -a 8 0A 57 -102,-2.6 -100,-2.0 -2,-0.2 2,-0.2 -0.864 19.6-142.3-100.8 113.5 26.4 -16.6 -12.9 110 109 A P E +a 9 0A 7 0, 0.0 24,-0.3 0, 0.0 2,-0.3 -0.537 23.0 179.9 -71.2 141.0 23.7 -15.0 -10.6 111 110 A M E -a 10 0A 2 -102,-2.4 -100,-3.2 -2,-0.2 2,-0.4 -0.931 21.3-133.3-132.7 157.4 23.1 -11.3 -11.0 112 111 A V E -ac 11 138A 0 25,-1.1 27,-2.6 -2,-0.3 2,-0.4 -0.949 17.0-177.9-111.9 133.0 20.7 -8.9 -9.3 113 112 A V E + c 0 139A 0 -102,-2.5 -100,-0.4 -2,-0.4 2,-0.4 -0.923 21.8 160.7-130.1 103.2 18.5 -6.4 -11.3 114 113 A T - 0 0 4 25,-2.9 -102,-0.0 -2,-0.4 -2,-0.0 -0.949 46.0-148.5-128.7 144.3 16.5 -4.2 -8.9 115 114 A G + 0 0 49 -2,-0.4 2,-0.1 25,-0.2 25,-0.1 0.412 69.2 115.2 -82.3 -0.3 14.7 -0.9 -9.0 116 115 A S + 0 0 13 1,-0.1 25,-2.5 2,-0.1 26,-0.4 -0.457 32.4 167.0 -73.0 143.7 15.6 -0.4 -5.4 117 116 A G + 0 0 29 23,-0.2 2,-1.2 24,-0.2 -1,-0.1 0.104 44.7 124.5-129.3 2.3 17.8 2.4 -4.3 118 117 A Q >> - 0 0 41 1,-0.2 4,-2.0 2,-0.1 3,-1.7 -0.578 49.7-162.7 -67.5 93.3 16.7 1.6 -0.7 119 118 A L H 3> S+ 0 0 115 -2,-1.2 4,-1.4 1,-0.3 -1,-0.2 0.560 80.8 72.2 -61.3 -11.9 20.1 1.1 0.8 120 119 A S H 34 S+ 0 0 63 2,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.790 111.6 27.6 -72.8 -31.9 18.5 -0.8 3.8 121 120 A L H <4 S+ 0 0 17 -3,-1.7 4,-0.4 2,-0.1 3,-0.3 0.785 117.5 60.3 -93.2 -37.4 17.7 -3.8 1.6 122 121 A L H >< S+ 0 0 16 -4,-2.0 3,-1.3 1,-0.2 4,-0.4 0.890 103.4 49.5 -59.9 -44.1 20.6 -3.3 -1.0 123 122 A E T 3X S+ 0 0 59 -4,-1.4 4,-0.7 1,-0.3 3,-0.5 0.782 102.6 63.7 -65.3 -28.7 23.4 -3.6 1.6 124 123 A R H 3> S+ 0 0 71 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.583 83.3 80.5 -75.0 -8.9 21.8 -6.8 3.0 125 124 A L H <> S+ 0 0 3 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.2 0.951 90.4 48.5 -61.5 -50.2 22.3 -8.6 -0.4 126 125 A E H 4 S+ 0 0 111 -3,-0.5 6,-0.2 -4,-0.4 -1,-0.2 0.894 119.0 37.4 -59.5 -44.9 26.0 -9.5 0.2 127 126 A H H < S+ 0 0 96 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.681 114.6 51.5 -94.7 -11.3 25.5 -10.9 3.6 128 127 A N H < S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.761 126.7 27.5 -79.1 -28.9 22.1 -12.6 3.1 129 128 A F S >X S- 0 0 1 -4,-2.0 3,-2.2 -5,-0.2 4,-0.6 -0.464 86.3-169.4-128.7 61.0 23.6 -14.4 0.1 130 129 A P T 34 S+ 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.231 73.3 6.6 -61.1 135.6 27.3 -14.6 0.7 131 130 A G T 34 S+ 0 0 55 2,-0.2 -5,-0.1 -5,-0.2 -4,-0.1 0.333 105.7 97.1 79.1 -8.4 29.3 -15.7 -2.4 132 131 A M T <4 S+ 0 0 10 -3,-2.2 2,-0.3 -6,-0.2 -6,-0.1 0.840 82.4 32.2 -79.7 -35.8 26.3 -15.6 -4.7 133 132 A F < - 0 0 27 -4,-0.6 2,-0.4 -7,-0.1 -2,-0.2 -0.799 60.4-142.7-125.6 161.6 26.7 -12.1 -6.2 134 133 A H > - 0 0 93 -24,-0.3 3,-2.2 -2,-0.3 -22,-0.2 -0.986 21.6-132.7-123.6 135.6 29.4 -9.6 -7.3 135 134 A K G > S+ 0 0 158 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.825 109.5 56.9 -54.6 -34.5 28.9 -5.9 -6.9 136 135 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.567 104.3 53.8 -72.8 -9.3 30.1 -5.4 -10.5 137 136 A L G < S+ 0 0 26 -3,-2.2 -25,-1.1 -27,-0.1 2,-0.4 -0.332 92.0 96.4-121.9 45.6 27.3 -7.7 -11.7 138 137 A M E < -c 112 0A 27 -3,-0.8 2,-0.4 -27,-0.2 -25,-0.2 -0.992 53.2-160.8-133.1 143.3 24.5 -5.8 -10.0 139 138 A V E +c 113 0A 0 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.2 -0.997 21.9 163.1-123.7 125.3 22.1 -3.2 -11.4 140 139 A T > - 0 0 13 -2,-0.4 3,-1.8 -27,-0.2 4,-0.5 -0.694 57.4 -82.7-126.8-177.8 20.2 -1.0 -8.9 141 140 A A G > S+ 0 0 39 -25,-2.5 3,-0.8 1,-0.3 -24,-0.2 0.798 124.4 65.2 -56.4 -29.6 18.3 2.3 -9.1 142 141 A F G 3 S+ 0 0 141 -26,-0.4 -1,-0.3 1,-0.2 -25,-0.1 0.696 100.5 50.7 -68.4 -17.5 21.6 4.1 -8.9 143 142 A D G < S+ 0 0 60 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.568 101.6 65.3 -98.1 -12.5 22.7 2.7 -12.2 144 143 A V < - 0 0 29 -3,-0.8 3,-0.1 -4,-0.5 -5,-0.0 -0.857 52.8-156.0-124.1 152.9 19.8 3.6 -14.5 145 144 A K S S+ 0 0 156 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.917 92.8 33.3 -81.3 -52.3 17.9 6.5 -16.0 146 145 A Y S S- 0 0 120 3,-0.0 -1,-0.3 1,-0.0 2,-0.1 -0.926 78.0-150.2-112.9 127.1 14.6 4.7 -16.6 147 146 A G > - 0 0 38 -2,-0.5 3,-2.2 1,-0.2 5,-0.2 -0.239 44.1 -29.8 -80.7 173.1 13.4 1.9 -14.2 148 147 A K T 3 S+ 0 0 16 1,-0.3 -1,-0.2 3,-0.1 29,-0.2 -0.359 120.9 45.2 -53.2 137.1 11.2 -1.1 -15.0 149 148 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.965 103.1 82.2 -87.5 3.4 9.0 -1.4 -17.1 150 149 A N S < S- 0 0 61 -3,-2.2 4,-0.3 1,-0.1 30,-0.1 -0.479 84.8-131.0 -60.7 138.8 11.6 0.3 -19.3 151 150 A P S >> S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 3,-0.9 0.620 82.7 102.5 -68.6 -11.2 14.1 -2.5 -20.5 152 151 A E H 3> S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.825 74.8 52.9 -43.8 -48.3 17.1 -0.3 -19.5 153 152 A P H 3> S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.905 115.5 40.9 -59.3 -39.0 17.9 -2.2 -16.1 154 153 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.3 -2,-0.2 0.870 113.9 51.9 -76.0 -36.6 18.0 -5.6 -17.9 155 154 A L H X S+ 0 0 82 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.904 110.4 50.5 -64.4 -37.4 19.9 -4.2 -20.9 156 155 A M H X S+ 0 0 44 -4,-3.0 4,-2.8 -5,-0.3 5,-0.2 0.879 105.9 55.0 -67.2 -37.4 22.4 -2.7 -18.5 157 156 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.930 107.4 50.2 -59.6 -43.8 22.7 -6.1 -16.7 158 157 A L H X>S+ 0 0 13 -4,-2.2 5,-3.0 2,-0.2 4,-0.6 0.929 111.3 49.5 -58.6 -42.8 23.6 -7.7 -20.1 159 158 A K H ><5S+ 0 0 178 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.945 111.5 47.3 -62.2 -49.0 26.2 -4.9 -20.7 160 159 A K H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 116.1 45.2 -60.8 -35.9 27.8 -5.3 -17.2 161 160 A G H 3<5S- 0 0 30 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.527 108.9-122.5 -83.8 -5.9 28.0 -9.1 -17.6 162 161 A G T <<5 + 0 0 63 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.888 65.2 147.7 60.6 42.5 29.3 -8.9 -21.2 163 162 A L < - 0 0 25 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.784 50.1-138.2-113.8 147.9 26.2 -11.0 -22.2 164 163 A K > - 0 0 155 -2,-0.3 3,-2.2 -3,-0.1 4,-0.1 -0.696 38.1-108.5 -88.5 157.9 23.9 -11.3 -25.2 165 164 A A G > S+ 0 0 30 1,-0.3 3,-1.5 -2,-0.3 22,-0.4 0.845 118.8 59.8 -57.0 -33.5 20.2 -11.6 -24.4 166 165 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 20,-0.1 -161,-0.1 0.470 98.0 61.4 -77.0 0.4 20.2 -15.3 -25.5 167 166 A E G < S+ 0 0 27 -3,-2.2 -160,-3.2 -161,-0.1 -159,-1.9 0.261 102.8 59.6-103.6 6.4 22.8 -16.0 -22.7 168 167 A A E < -b 8 0A 3 -3,-1.5 19,-0.6 -162,-0.2 2,-0.3 -0.895 57.3-158.3-133.5 158.2 20.5 -14.8 -19.9 169 168 A V E -bd 9 187A 2 -161,-1.2 -159,-3.4 -2,-0.3 2,-0.4 -0.984 18.5-139.0-130.6 145.3 17.2 -15.6 -18.2 170 169 A V E -bd 10 188A 0 17,-2.5 19,-3.3 -2,-0.3 2,-0.5 -0.841 6.3-158.4-101.2 137.0 15.2 -13.1 -16.0 171 170 A I E +bd 11 189A 0 -161,-2.7 -159,-2.4 -2,-0.4 2,-0.3 -0.968 27.7 163.7-114.9 114.0 13.4 -14.2 -12.8 172 171 A E E - d 0 190A 2 17,-2.4 19,-2.7 -2,-0.5 -157,-0.1 -0.959 34.2-170.7-133.9 151.2 10.7 -11.7 -11.9 173 172 A N + 0 0 6 -2,-0.3 21,-0.2 -159,-0.3 20,-0.1 0.584 68.3 70.9-109.7 -15.6 7.6 -11.4 -9.7 174 173 A A S > S- 0 0 2 1,-0.1 4,-2.9 18,-0.1 5,-0.3 -0.792 74.8-128.3-116.8 147.8 5.9 -8.2 -10.8 175 174 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.894 111.4 48.6 -62.0 -39.5 4.1 -7.3 -14.0 176 175 A L H > S+ 0 0 12 -128,-0.4 4,-1.7 -130,-0.3 -127,-0.1 0.835 113.9 47.9 -67.8 -31.3 6.2 -4.2 -14.6 177 176 A G H > S+ 0 0 2 -129,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.884 109.7 51.0 -75.3 -41.1 9.4 -6.2 -14.1 178 177 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.921 109.0 53.2 -57.8 -44.7 8.3 -9.0 -16.4 179 178 A E H X S+ 0 0 61 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.923 108.0 50.6 -57.0 -44.5 7.6 -6.3 -19.0 180 179 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.903 111.3 46.9 -62.4 -44.5 11.1 -4.9 -18.6 181 180 A G H <>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 3,-0.2 0.919 114.8 47.1 -62.6 -44.6 12.7 -8.3 -19.0 182 181 A H H ><5S+ 0 0 86 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.915 110.5 51.0 -63.4 -43.6 10.6 -9.1 -22.1 183 182 A K H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.692 103.1 61.0 -70.7 -18.1 11.3 -5.7 -23.7 184 183 A A T 3<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.442 118.3-115.4 -82.4 -1.2 15.0 -6.3 -23.1 185 184 A G T < 5S+ 0 0 56 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.674 70.5 136.1 77.3 21.1 14.6 -9.4 -25.4 186 185 A I < - 0 0 2 -5,-2.0 -1,-0.3 -19,-0.1 -2,-0.1 -0.814 66.9-103.7-106.9 140.1 15.4 -11.9 -22.6 187 186 A F E -d 169 0A 57 -19,-0.6 -17,-2.5 -22,-0.4 2,-0.5 -0.429 47.7-155.8 -54.9 123.4 13.7 -15.1 -21.8 188 187 A T E -d 170 0A 0 17,-0.3 19,-2.7 -19,-0.2 20,-1.2 -0.950 15.0-162.2-122.9 123.0 11.6 -14.2 -18.8 189 188 A I E -de 171 208A 0 -19,-3.3 -17,-2.4 -2,-0.5 2,-0.4 -0.920 12.4-149.5-102.9 121.4 10.3 -16.5 -16.0 190 189 A A E -de 172 209A 0 18,-3.0 20,-2.6 -2,-0.6 2,-0.5 -0.770 6.9-165.3 -89.0 135.0 7.6 -15.1 -13.8 191 190 A V E - e 0 210A 0 -19,-2.7 2,-2.0 -2,-0.4 22,-0.1 -0.977 14.5-147.1-118.8 112.5 7.4 -16.4 -10.2 192 191 A N + 0 0 30 18,-3.0 -19,-0.1 -2,-0.5 6,-0.1 -0.507 35.8 156.4 -86.5 77.1 4.0 -15.4 -8.9 193 192 A T + 0 0 33 -2,-2.0 -1,-0.2 -178,-0.2 -178,-0.1 0.423 55.4 46.0 -87.1 3.4 4.9 -14.9 -5.3 194 193 A G S S- 0 0 27 -21,-0.2 -152,-0.1 2,-0.1 -2,-0.0 -0.363 102.0 -73.4-126.1-156.0 2.1 -12.5 -4.3 195 194 A P S S+ 0 0 65 0, 0.0 -153,-0.1 0, 0.0 3,-0.1 0.425 84.6 113.6 -90.8 -0.1 -1.7 -12.2 -4.6 196 195 A L S S- 0 0 12 1,-0.1 2,-0.4 -154,-0.1 -2,-0.1 -0.299 77.4 -99.9 -71.7 155.1 -2.0 -11.3 -8.3 197 196 A D >> - 0 0 111 1,-0.1 3,-1.9 2,-0.0 4,-0.6 -0.622 29.1-132.1 -68.6 130.5 -3.6 -13.5 -11.0 198 197 A G H >> S+ 0 0 10 -2,-0.4 4,-1.9 1,-0.3 3,-0.7 0.755 102.6 72.0 -56.7 -27.6 -0.7 -15.3 -12.8 199 198 A Q H 3> S+ 0 0 96 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.825 88.2 62.3 -57.1 -30.8 -2.3 -14.3 -16.1 200 199 A V H <> S+ 0 0 44 -3,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.882 105.6 46.4 -62.6 -36.1 -1.2 -10.7 -15.5 201 200 A L H <<>S+ 0 0 0 -3,-0.7 5,-1.8 -4,-0.6 4,-0.3 0.891 112.2 48.4 -76.5 -39.9 2.4 -11.9 -15.5 202 201 A L H ><5S+ 0 0 61 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.923 110.9 52.5 -60.9 -44.4 1.9 -13.9 -18.7 203 202 A D H 3<5S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.776 101.7 60.2 -64.4 -24.5 0.2 -10.9 -20.3 204 203 A A T 3<5S- 0 0 20 -4,-1.1 -1,-0.3 -5,-0.2 -22,-0.2 0.543 132.1 -88.4 -79.1 -8.8 3.2 -8.8 -19.4 205 204 A G T < 5 + 0 0 16 -3,-1.6 -17,-0.3 -4,-0.3 -3,-0.2 0.512 68.4 159.3 118.4 8.9 5.4 -11.0 -21.5 206 205 A A < - 0 0 11 -5,-1.8 -1,-0.2 1,-0.1 -17,-0.2 -0.398 31.0-154.3 -65.9 137.9 6.6 -13.9 -19.3 207 206 A D S S+ 0 0 72 -19,-2.7 2,-0.3 1,-0.2 -18,-0.2 0.751 81.1 16.5 -77.6 -30.1 7.7 -17.0 -21.2 208 207 A L E -e 189 0A 59 -20,-1.2 -18,-3.0 2,-0.0 2,-0.4 -0.980 68.3-149.7-142.6 149.8 7.0 -19.3 -18.3 209 208 A L E +e 190 0A 65 -2,-0.3 -18,-0.2 -20,-0.2 -20,-0.0 -0.994 14.6 176.4-123.2 131.2 5.0 -19.0 -15.1 210 209 A F E -e 191 0A 25 -20,-2.6 -18,-3.0 -2,-0.4 3,-0.1 -0.941 30.5-134.2-127.4 150.4 5.7 -20.7 -11.8 211 210 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 0.626 81.7 2.2 -83.4 -10.1 3.7 -20.2 -8.5 212 211 A S S > S- 0 0 37 -22,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.983 70.5-106.0-166.2 160.7 6.8 -19.9 -6.2 213 212 A M H > S+ 0 0 1 -119,-0.3 4,-2.5 -2,-0.3 -118,-0.2 0.897 119.7 51.1 -60.9 -41.2 10.6 -19.8 -6.1 214 213 A Q H > S+ 0 0 63 -120,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.908 108.3 52.6 -66.6 -36.1 10.8 -23.2 -4.7 215 214 A T H > S+ 0 0 47 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 110.1 48.6 -62.5 -41.3 8.5 -24.6 -7.4 216 215 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.3 0.928 110.7 50.3 -63.0 -45.2 10.8 -23.0 -10.0 217 216 A C H >< S+ 0 0 14 -4,-2.5 3,-1.0 1,-0.2 4,-0.4 0.942 111.2 49.4 -56.4 -46.1 13.9 -24.6 -8.3 218 217 A D H 3< S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.766 118.0 40.4 -62.0 -28.7 12.1 -28.0 -8.3 219 218 A S H >X S+ 0 0 31 -4,-1.5 4,-1.2 -3,-0.3 3,-0.6 0.383 83.2 103.2-101.5 1.1 11.3 -27.6 -12.0 220 219 A W H XX S+ 0 0 2 -3,-1.0 4,-1.6 -4,-0.7 3,-0.5 0.860 78.2 54.7 -58.3 -41.0 14.6 -26.0 -13.2 221 220 A D H 3> S+ 0 0 82 -4,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.862 106.1 52.8 -56.7 -41.2 15.9 -29.3 -14.7 222 221 A T H <4 S+ 0 0 100 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.750 109.2 49.5 -69.5 -27.1 12.7 -29.6 -16.9 223 222 A I H << S+ 0 0 29 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.895 108.1 52.5 -71.6 -49.2 13.2 -26.0 -18.2 224 223 A M H < 0 0 8 -4,-1.6 -221,-0.8 -222,-0.1 -2,-0.2 0.578 360.0 360.0 -68.6 -29.0 16.9 -26.4 -19.2 225 224 A L < 0 0 201 -4,-1.0 -223,-0.3 -223,-0.1 -222,-0.2 0.812 360.0 360.0 -90.1 360.0 16.7 -29.5 -21.3