==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-APR-11 2YFC . COMPND 2 MOLECULE: MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDR . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.M.D.GONCALVES,D.DE SANCTIS,S.M.MCSWEENEY . 535 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 72.3 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 . 4 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 . 2 0.4 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 . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 0 0 0 2 2 0 2 2 2 0 2 0 0 0 0 4 0 0 0 0 0 0 0 0 0 4 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 . 2 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 7 A P 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.6 -34.5 -67.2 -0.9 2 8 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.171 360.0-136.3 -58.8 140.5 -32.0 -65.8 1.7 3 9 A T > - 0 0 39 1,-0.1 4,-1.8 139,-0.0 3,-0.2 -0.485 28.3-104.6 -88.5 165.7 -31.1 -62.1 1.7 4 10 A N H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.839 122.2 55.6 -61.1 -33.2 -27.5 -60.8 2.1 5 11 A A H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 106.9 50.0 -63.7 -41.1 -28.3 -59.7 5.7 6 12 A E H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.835 104.1 59.0 -68.7 -31.6 -29.4 -63.3 6.5 7 13 A R H X S+ 0 0 54 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.904 103.7 52.0 -60.7 -41.4 -26.2 -64.6 5.0 8 14 A L H X S+ 0 0 2 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.929 107.8 51.2 -60.5 -44.5 -24.3 -62.6 7.6 9 15 A H H X S+ 0 0 37 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.912 111.2 48.7 -56.0 -42.5 -26.4 -64.1 10.3 10 16 A E H X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.900 110.7 50.3 -65.6 -41.1 -25.5 -67.5 8.9 11 17 A F H X S+ 0 0 37 -4,-2.7 4,-1.5 2,-0.2 6,-0.2 0.901 109.5 50.6 -63.6 -41.4 -21.8 -66.6 8.8 12 18 A H H <>S+ 0 0 9 -4,-2.7 5,-1.7 1,-0.2 4,-0.3 0.873 110.1 49.8 -66.9 -37.4 -21.8 -65.4 12.4 13 19 A R H ><5S+ 0 0 176 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.895 108.4 54.7 -63.4 -40.9 -23.5 -68.6 13.6 14 20 A A H 3<5S+ 0 0 52 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.830 111.5 42.6 -63.9 -33.6 -20.9 -70.6 11.7 15 21 A I T 3<5S- 0 0 84 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.359 114.3-114.1 -97.6 6.1 -18.0 -68.9 13.4 16 22 A G T < 5 0 0 69 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.543 360.0 360.0 77.1 8.1 -19.6 -69.1 16.8 17 23 A A < 0 0 50 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.511 360.0 360.0 -70.3 360.0 -20.0 -65.3 17.1 18 ! 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 19 25 A T 0 0 50 0, 0.0 68,-0.1 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 146.1 -25.4 -62.5 17.6 20 26 A P - 0 0 45 0, 0.0 69,-0.1 0, 0.0 4,-0.1 -0.054 360.0-141.2 -63.0 155.3 -28.5 -61.0 19.2 21 27 A E S S+ 0 0 150 2,-0.1 70,-0.1 67,-0.1 67,-0.0 0.736 86.4 32.9 -85.9 -26.1 -32.0 -61.4 17.7 22 28 A R S S- 0 0 113 68,-0.1 68,-0.2 1,-0.0 114,-0.1 -0.854 109.9 -63.9-129.8 163.9 -33.1 -57.8 18.6 23 29 A P - 0 0 11 0, 0.0 66,-0.3 0, 0.0 180,-0.1 -0.219 58.5-179.1 -54.5 124.5 -31.3 -54.4 18.7 24 30 A T - 0 0 62 64,-3.1 66,-0.1 179,-0.1 178,-0.1 -0.957 31.1-120.7-137.0 116.5 -28.7 -54.6 21.5 25 31 A P - 0 0 47 0, 0.0 178,-0.1 0, 0.0 64,-0.0 -0.294 39.1-138.4 -50.3 125.5 -26.3 -51.9 22.7 26 32 A P - 0 0 8 0, 0.0 175,-0.1 0, 0.0 62,-0.1 -0.440 14.7-101.2 -89.6 163.3 -22.8 -53.3 22.2 27 33 A P >> - 0 0 66 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.439 39.7-107.2 -70.8 157.5 -19.7 -53.0 24.4 28 34 A P H 3> S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 118.1 60.2 -55.0 -40.9 -17.1 -50.4 23.4 29 35 A E H 3> S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.865 103.5 50.5 -56.8 -39.8 -14.7 -53.1 22.2 30 36 A L H <> S+ 0 0 35 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.918 109.4 50.5 -65.3 -43.5 -17.2 -54.4 19.7 31 37 A L H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.941 111.6 48.1 -58.3 -47.9 -17.8 -50.9 18.3 32 38 A R H X S+ 0 0 136 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.885 111.8 50.6 -61.9 -38.8 -14.0 -50.4 17.9 33 39 A L H X S+ 0 0 82 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.929 110.1 48.3 -63.0 -47.7 -13.7 -53.7 16.2 34 40 A R H X S+ 0 0 22 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.890 110.1 52.9 -62.8 -38.9 -16.5 -53.0 13.7 35 41 A Q H X S+ 0 0 18 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.912 106.7 53.8 -60.3 -42.3 -14.9 -49.6 12.9 36 42 A T H X S+ 0 0 69 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.918 109.2 46.6 -59.7 -44.8 -11.6 -51.3 12.2 37 43 A L H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.859 112.0 50.3 -68.3 -36.0 -13.2 -53.7 9.7 38 44 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.921 111.6 49.3 -65.4 -42.2 -15.1 -50.9 7.9 39 45 A D H X S+ 0 0 54 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.907 109.8 51.2 -63.5 -43.2 -11.9 -48.9 7.7 40 46 A E H X S+ 0 0 104 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.941 115.9 39.3 -60.2 -50.7 -9.9 -51.8 6.3 41 47 A E H X S+ 0 0 31 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.862 113.2 54.8 -71.7 -36.2 -12.4 -52.6 3.5 42 48 A S H X S+ 0 0 9 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.900 107.4 52.2 -61.1 -39.7 -13.2 -49.0 2.7 43 49 A A H X S+ 0 0 45 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.865 108.3 50.1 -65.7 -36.4 -9.4 -48.4 2.3 44 50 A E H X S+ 0 0 88 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.925 112.5 46.7 -68.8 -42.4 -9.2 -51.3 -0.2 45 51 A V H X S+ 0 0 3 -4,-2.3 4,-2.7 28,-0.2 -2,-0.2 0.955 113.6 49.3 -57.8 -52.2 -12.2 -49.9 -2.2 46 52 A R H X S+ 0 0 79 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.885 110.7 49.3 -54.7 -46.7 -10.7 -46.4 -2.2 47 53 A A H X S+ 0 0 59 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.906 111.5 49.8 -63.6 -40.3 -7.2 -47.6 -3.3 48 54 A E H X S+ 0 0 31 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 110.1 48.6 -68.0 -42.7 -8.8 -49.6 -6.1 49 55 A I H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.948 111.5 50.5 -59.4 -47.1 -10.9 -46.7 -7.4 50 56 A D H X S+ 0 0 89 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.892 109.4 53.7 -55.2 -40.7 -7.8 -44.5 -7.3 51 57 A H H X S+ 0 0 87 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.937 109.5 45.4 -58.4 -54.5 -6.0 -47.3 -9.3 52 58 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.878 111.2 53.2 -56.6 -43.8 -8.6 -47.4 -12.0 53 59 A L H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.893 107.5 51.8 -61.3 -39.7 -8.7 -43.6 -12.3 54 60 A A H X S+ 0 0 62 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.892 108.4 51.3 -66.6 -38.3 -4.9 -43.5 -12.7 55 61 A R H <>S+ 0 0 54 -4,-1.7 5,-2.0 2,-0.2 3,-0.4 0.910 110.6 47.7 -64.8 -42.7 -5.1 -46.1 -15.5 56 62 A Q H ><5S+ 0 0 34 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.895 107.0 57.0 -64.4 -40.8 -7.8 -44.0 -17.4 57 63 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 102.7 56.6 -59.5 -26.2 -5.7 -40.9 -16.9 58 64 A A T 3<5S- 0 0 88 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.484 126.4-102.6 -84.4 -2.9 -2.9 -42.8 -18.7 59 65 A G T < 5S+ 0 0 69 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.430 71.8 146.6 98.4 -0.4 -5.2 -43.3 -21.7 60 66 A E < - 0 0 82 -5,-2.0 2,-0.7 1,-0.1 -1,-0.3 -0.460 44.8-138.3 -70.3 138.7 -6.1 -46.9 -21.0 61 67 A A - 0 0 92 -2,-0.2 -1,-0.1 103,-0.0 -5,-0.0 -0.885 25.9-134.1 -95.9 111.2 -9.6 -48.0 -22.0 62 68 A L - 0 0 15 -2,-0.7 2,-0.2 103,-0.2 3,-0.0 -0.322 13.0-145.7 -67.7 146.2 -10.9 -50.2 -19.2 63 69 A S > - 0 0 57 1,-0.1 3,-0.6 100,-0.1 4,-0.3 -0.664 28.1-109.8-101.2 165.4 -12.6 -53.6 -19.9 64 70 A A G > S+ 0 0 8 1,-0.2 3,-1.9 -2,-0.2 4,-0.1 0.900 120.5 59.3 -59.5 -39.5 -15.4 -55.1 -17.9 65 71 A G G > S+ 0 0 16 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.801 92.7 65.6 -59.2 -31.3 -12.9 -57.7 -16.7 66 72 A D G < S+ 0 0 38 -3,-0.6 4,-0.3 1,-0.3 -1,-0.3 0.615 91.7 67.0 -64.7 -14.3 -10.7 -55.0 -15.2 67 73 A L G <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.3 -1,-0.3 0.478 72.4 93.9 -85.4 -5.2 -13.6 -54.3 -12.8 68 74 A A H <> S+ 0 0 7 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.907 83.3 47.9 -62.0 -43.5 -13.3 -57.6 -10.9 69 75 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.923 114.0 48.1 -65.2 -38.3 -11.0 -56.4 -8.1 70 76 A L H > S+ 0 0 2 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.928 110.9 50.6 -63.5 -45.4 -13.2 -53.4 -7.5 71 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.900 110.2 51.2 -59.8 -40.0 -16.3 -55.5 -7.5 72 78 A H H X S+ 0 0 54 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.932 110.9 46.4 -59.9 -50.2 -14.7 -57.9 -5.0 73 79 A E H X S+ 0 0 40 -4,-2.3 4,-2.3 2,-0.2 -28,-0.2 0.895 110.6 53.4 -63.4 -40.6 -13.7 -55.1 -2.6 74 80 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.924 110.1 47.9 -58.2 -43.3 -17.2 -53.5 -2.8 75 81 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.890 108.8 53.3 -66.5 -38.8 -18.7 -56.9 -1.9 76 82 A D H X S+ 0 0 25 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.897 108.4 51.9 -57.2 -42.4 -16.2 -57.2 1.1 77 83 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.916 108.5 49.3 -63.7 -42.6 -17.4 -53.8 2.2 78 84 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.915 108.5 56.3 -57.2 -43.0 -21.0 -54.9 2.1 79 85 A Y H X S+ 0 0 13 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.934 111.6 39.4 -57.3 -48.9 -19.9 -58.0 4.1 80 86 A V H X S+ 0 0 15 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.766 116.1 51.8 -77.3 -23.6 -18.5 -56.0 7.0 81 87 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.941 113.4 42.7 -75.7 -51.5 -21.2 -53.4 6.9 82 88 A Y H X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.873 112.3 58.4 -53.9 -39.4 -24.0 -56.0 7.0 83 89 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.895 102.8 51.1 -59.6 -42.3 -21.7 -57.7 9.7 84 90 A A H X S+ 0 0 4 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.940 110.6 48.4 -60.3 -47.7 -21.9 -54.6 11.9 85 91 A L H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 4,-0.2 0.886 110.6 51.6 -61.6 -38.5 -25.7 -54.4 11.7 86 92 A D H ><5S+ 0 0 19 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.895 107.0 51.5 -68.3 -40.4 -26.0 -58.1 12.6 87 93 A Q H 3<5S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 107.1 55.4 -68.9 -21.4 -23.7 -57.8 15.6 88 94 A L T 3<5S- 0 0 8 -4,-1.2 -64,-3.1 -3,-0.2 -1,-0.3 0.485 116.2-117.7 -83.2 -4.2 -25.9 -54.9 16.8 89 95 A G T < 5 + 0 0 6 -3,-1.4 2,-0.6 -66,-0.3 -3,-0.2 0.732 68.5 141.5 71.3 24.1 -28.9 -57.2 16.6 90 96 A I < - 0 0 6 -5,-2.6 2,-0.7 -68,-0.2 -1,-0.2 -0.881 57.1-126.3-108.2 121.2 -30.4 -54.9 13.9 91 97 A D > - 0 0 76 -2,-0.6 4,-1.6 1,-0.2 3,-0.4 -0.461 20.7-159.5 -63.3 104.4 -32.3 -56.3 10.9 92 98 A A H > S+ 0 0 5 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.828 85.9 55.8 -58.4 -34.0 -30.5 -54.7 8.0 93 99 A D H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 104.1 52.3 -73.0 -35.3 -33.3 -55.2 5.6 94 100 A A H > S+ 0 0 18 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.913 114.5 42.6 -65.7 -43.2 -35.9 -53.4 7.7 95 101 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.923 113.5 52.3 -66.7 -44.2 -33.7 -50.4 8.1 96 102 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.896 105.5 54.8 -60.2 -41.6 -32.7 -50.5 4.4 97 103 A A H X S+ 0 0 36 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.892 110.3 46.3 -58.7 -40.8 -36.3 -50.6 3.2 98 104 A E H X S+ 0 0 36 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.926 114.1 46.9 -68.7 -46.6 -37.0 -47.4 5.2 99 105 A V H X S+ 0 0 2 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.909 111.7 53.0 -58.9 -42.7 -33.9 -45.7 3.9 100 106 A H H >X S+ 0 0 9 -4,-3.2 4,-2.2 1,-0.2 3,-0.5 0.914 105.4 53.2 -61.0 -44.7 -34.8 -46.8 0.3 101 107 A R H 3X S+ 0 0 165 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.901 110.4 47.1 -59.4 -40.0 -38.3 -45.3 0.6 102 108 A A H 3< S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.640 110.0 54.6 -79.0 -14.1 -37.0 -41.9 1.6 103 109 A N H X< S+ 0 0 11 -4,-1.0 3,-1.4 -3,-0.5 -2,-0.2 0.835 102.9 55.0 -80.1 -39.0 -34.4 -42.1 -1.2 104 110 A L H >< S+ 0 0 46 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.859 100.3 61.6 -60.5 -33.8 -37.1 -42.7 -3.9 105 111 A S T 3< S+ 0 0 60 -4,-1.2 3,-0.4 1,-0.3 -1,-0.3 0.548 88.9 71.0 -73.7 -6.6 -38.8 -39.6 -2.7 106 112 A K T X + 0 0 34 -3,-1.4 3,-2.8 1,-0.2 -1,-0.3 0.537 66.4 104.5 -80.4 -7.9 -35.7 -37.5 -3.7 107 113 A A T < S+ 0 0 34 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.766 76.4 51.1 -51.4 -33.8 -36.4 -38.0 -7.4 108 114 A S T 3 S+ 0 0 103 -3,-0.4 -1,-0.3 13,-0.1 13,-0.1 0.537 92.1 103.1 -81.5 -4.5 -37.8 -34.5 -7.9 109 115 A G S < S- 0 0 0 -3,-2.8 10,-0.1 9,-0.2 -3,-0.0 -0.221 77.9 -93.2 -78.1 168.3 -34.8 -32.8 -6.3 110 116 A P - 0 0 74 0, 0.0 8,-2.6 0, 0.0 2,-0.4 -0.213 35.3-121.8 -71.2 166.3 -31.9 -31.0 -8.0 111 117 A R B -A 117 0A 130 6,-0.2 6,-0.2 2,-0.0 2,-0.1 -0.900 17.1-127.0-112.3 141.6 -28.6 -32.7 -8.9 112 118 A R > - 0 0 22 4,-2.9 3,-1.7 -2,-0.4 357,-0.1 -0.423 33.9-103.3 -79.5 160.4 -25.1 -31.6 -7.7 113 119 A A T 3 S+ 0 0 103 355,-0.6 356,-0.1 1,-0.3 -1,-0.1 0.804 122.5 51.8 -57.2 -34.4 -22.4 -31.0 -10.4 114 120 A D T 3 S- 0 0 56 354,-0.3 -1,-0.3 2,-0.1 58,-0.1 0.520 127.1 -99.1 -82.5 -5.9 -20.6 -34.3 -9.6 115 121 A G S < S+ 0 0 40 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.376 70.9 148.9 108.3 -3.0 -24.0 -36.1 -10.1 116 122 A K - 0 0 41 -5,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.434 48.5-123.1 -66.4 133.1 -25.1 -36.6 -6.5 117 123 A Q B -A 111 0A 16 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.2 -0.644 31.2-157.8 -75.9 128.8 -28.9 -36.5 -6.1 118 124 A L - 0 0 24 -8,-2.6 -9,-0.2 -2,-0.4 -1,-0.0 -0.590 22.3 -91.3-108.3 170.4 -30.0 -33.8 -3.7 119 125 A K - 0 0 116 -2,-0.2 -13,-0.1 -10,-0.1 3,-0.1 -0.595 35.9-133.7 -87.8 133.9 -33.2 -33.4 -1.6 120 126 A P > - 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