==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUN-11 3B0Y . COMPND 2 MOLECULE: DNA POLYMERASE BETA FAMILY (X FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.NAKANE,N.NAKAGAWA,R.MASUI,S.KURAMITSU,RIKEN STRUCTURAL . 575 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 6.4 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 3 1 1 1 1 6 2 2 1 2 0 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 1 1 1 1 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 . 3 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 1 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 1 A M 0 0 147 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 137.7 12.0 13.8 -17.3 2 2 A R > + 0 0 97 1,-0.1 4,-2.7 2,-0.1 5,-0.3 0.364 360.0 108.1 -97.9 6.2 13.0 11.4 -20.0 3 3 A N H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.871 81.1 41.7 -51.3 -51.7 16.5 13.0 -20.4 4 4 A Q H > S+ 0 0 81 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.878 113.3 53.5 -66.2 -39.3 18.5 10.2 -18.8 5 5 A E H > S+ 0 0 108 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.917 113.2 44.0 -61.2 -42.3 16.4 7.5 -20.5 6 6 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.871 109.2 56.4 -71.3 -37.6 17.2 9.1 -23.9 7 7 A A H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.934 108.5 49.1 -56.5 -46.2 20.8 9.6 -22.9 8 8 A R H X S+ 0 0 81 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.889 108.6 51.2 -61.0 -44.2 21.1 5.8 -22.3 9 9 A I H X S+ 0 0 22 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.969 112.6 45.8 -63.2 -48.6 19.5 4.9 -25.6 10 10 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 112.9 50.9 -56.6 -46.1 21.8 7.1 -27.6 11 11 A E H X S+ 0 0 55 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.914 110.6 49.1 -56.5 -45.8 24.8 5.8 -25.6 12 12 A E H X S+ 0 0 16 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.880 108.8 52.0 -64.0 -40.7 23.8 2.2 -26.4 13 13 A I H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.929 109.1 52.5 -59.7 -44.5 23.4 3.0 -30.0 14 14 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.929 112.5 43.5 -53.8 -49.4 26.9 4.4 -29.9 15 15 A L H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.915 117.3 45.5 -64.2 -45.8 28.2 1.2 -28.3 16 16 A M H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.884 111.3 53.2 -68.2 -39.8 26.3 -1.1 -30.7 17 17 A S H <>S+ 0 0 2 -4,-3.3 5,-2.5 -5,-0.2 4,-0.4 0.922 112.3 43.8 -57.8 -48.6 27.3 1.0 -33.7 18 18 A E H <5S+ 0 0 59 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.864 110.6 55.8 -66.3 -37.3 31.0 0.7 -32.8 19 19 A F H <5S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.942 112.3 42.6 -55.4 -49.6 30.5 -3.0 -32.1 20 20 A L T <5S- 0 0 61 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.516 121.7-114.0 -74.6 -9.4 29.1 -3.3 -35.6 21 21 A G T 5 + 0 0 61 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.1 0.900 52.3 169.7 76.6 44.4 31.9 -1.1 -36.9 22 22 A D < - 0 0 55 -5,-2.5 -1,-0.1 1,-0.2 5,-0.0 -0.222 52.7 -56.7 -75.2 171.2 29.9 2.0 -38.1 23 23 A N >> - 0 0 88 1,-0.2 4,-2.1 2,-0.1 3,-1.2 -0.330 46.6-137.6 -52.6 117.6 31.5 5.3 -39.1 24 24 A P H 3> S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.755 104.6 62.5 -53.0 -25.8 33.6 6.5 -36.1 25 25 A F H 3> S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.920 107.1 42.5 -61.3 -46.5 32.2 10.0 -36.8 26 26 A R H <> S+ 0 0 117 -3,-1.2 4,-2.4 2,-0.2 5,-0.2 0.912 111.2 54.9 -66.0 -47.6 28.7 8.7 -36.1 27 27 A V H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.934 112.1 43.6 -50.6 -51.0 29.8 6.6 -33.0 28 28 A R H X S+ 0 0 157 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.880 110.1 58.1 -64.5 -37.7 31.3 9.8 -31.5 29 29 A A H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 105.1 48.8 -58.0 -45.0 28.2 11.8 -32.5 30 30 A Y H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.914 111.2 50.2 -63.8 -41.9 25.9 9.5 -30.5 31 31 A H H X S+ 0 0 41 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.860 110.1 49.7 -64.3 -36.8 28.1 9.7 -27.4 32 32 A Q H X S+ 0 0 107 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.866 109.7 51.8 -69.5 -34.7 28.2 13.5 -27.6 33 33 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 27,-0.2 -2,-0.2 0.914 108.6 51.7 -64.3 -42.9 24.4 13.5 -27.9 34 34 A A H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.927 108.6 50.2 -59.3 -46.9 24.3 11.3 -24.8 35 35 A R H X S+ 0 0 114 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.936 109.1 52.1 -58.8 -47.6 26.5 13.7 -22.8 36 36 A T H X S+ 0 0 21 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.924 113.7 42.9 -53.1 -45.7 24.3 16.6 -23.8 37 37 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 112.0 54.1 -71.3 -36.7 21.2 14.8 -22.6 38 38 A Y H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.9 39.6 -59.6 -42.8 22.9 13.6 -19.5 39 39 A D H < S+ 0 0 21 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.642 88.6 109.4 -82.6 -16.6 23.9 17.2 -18.7 40 40 A L < - 0 0 29 -4,-1.2 4,-0.1 -5,-0.2 -37,-0.1 -0.489 43.1-175.6 -73.5 123.2 20.6 18.9 -19.7 41 41 A D + 0 0 43 -2,-0.3 -1,-0.2 2,-0.1 -38,-0.1 0.769 62.9 72.7 -88.7 -32.3 18.7 20.1 -16.7 42 42 A T S S- 0 0 72 1,-0.1 5,-0.1 2,-0.0 -2,-0.0 -0.617 102.2 -88.5 -83.7 143.5 15.5 21.3 -18.4 43 43 A P >> - 0 0 35 0, 0.0 3,-0.9 0, 0.0 4,-0.9 -0.274 27.5-137.7 -50.8 130.4 13.1 18.6 -19.7 44 44 A I H >> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.853 103.2 64.1 -58.8 -32.9 14.0 17.5 -23.3 45 45 A E H 3> S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.838 95.3 57.8 -61.3 -33.3 10.2 17.6 -24.0 46 46 A E H <4 S+ 0 0 91 -3,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.844 110.8 41.9 -67.1 -34.0 10.1 21.3 -23.4 47 47 A I H X< S+ 0 0 26 -4,-0.9 3,-0.9 -3,-0.6 4,-0.4 0.861 111.0 56.3 -78.0 -40.1 12.8 22.0 -26.1 48 48 A A H >< S+ 0 0 11 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.822 99.6 60.7 -59.5 -33.4 11.2 19.4 -28.5 49 49 A E T 3< S+ 0 0 139 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.765 98.4 58.3 -64.1 -27.8 7.9 21.4 -28.2 50 50 A K T < S- 0 0 163 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.569 118.5-106.2 -78.6 -13.4 9.7 24.4 -29.7 51 51 A G <> - 0 0 26 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.2 -0.406 32.9 -60.3 117.8 173.2 10.6 22.3 -32.8 52 52 A K H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.859 127.6 54.1 -61.0 -40.6 13.3 20.5 -34.8 53 53 A E H 4 S+ 0 0 157 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.886 106.7 50.9 -60.2 -44.8 15.4 23.7 -35.1 54 54 A A H >4 S+ 0 0 11 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.871 107.5 52.8 -64.1 -40.0 15.4 24.3 -31.3 55 55 A L H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.894 104.3 58.1 -58.7 -39.3 16.5 20.7 -30.7 56 56 A M T 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.602 90.3 71.0 -70.4 -11.5 19.4 21.4 -33.1 57 57 A E T < S+ 0 0 160 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.724 80.4 97.2 -71.2 -23.4 20.5 24.3 -30.9 58 58 A L S X S- 0 0 25 -3,-1.5 3,-1.8 -4,-0.4 -22,-0.1 -0.429 93.6 -97.1 -68.7 137.4 21.7 21.7 -28.4 59 59 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.343 108.0 9.6 -52.0 129.4 25.4 20.8 -28.5 60 60 A G T 3 S+ 0 0 43 1,-0.2 2,-0.7 -4,-0.1 -27,-0.2 0.235 97.1 117.7 87.7 -11.6 25.8 17.6 -30.6 61 61 A V < + 0 0 8 -3,-1.8 -1,-0.2 -6,-0.2 -3,-0.1 -0.820 33.2 163.7 -99.8 113.7 22.2 17.4 -31.9 62 62 A G > - 0 0 21 -2,-0.7 4,-2.9 -3,-0.1 5,-0.3 -0.431 57.4 -72.3-109.0-169.6 21.8 17.6 -35.7 63 63 A P H > S+ 0 0 68 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.870 129.9 50.3 -55.8 -45.3 18.9 16.7 -38.1 64 64 A D H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -3,-0.1 0.902 116.5 40.1 -56.8 -49.5 19.4 12.9 -37.7 65 65 A L H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 110.1 58.0 -72.7 -40.4 19.4 13.1 -33.8 66 66 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.843 107.2 49.4 -57.6 -37.0 16.6 15.7 -33.5 67 67 A E H X S+ 0 0 88 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.2 0.854 108.7 51.9 -71.3 -36.6 14.3 13.4 -35.4 68 68 A K H X S+ 0 0 33 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.805 107.7 53.7 -68.0 -29.0 15.2 10.4 -33.2 69 69 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.949 111.2 44.2 -68.8 -50.4 14.4 12.6 -30.1 70 70 A L H X S+ 0 0 17 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.930 111.7 54.3 -59.6 -47.2 10.9 13.4 -31.5 71 71 A E H X S+ 0 0 58 -4,-2.8 4,-2.3 1,-0.2 6,-0.5 0.901 110.1 46.9 -51.1 -47.1 10.5 9.7 -32.4 72 72 A F H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.873 112.6 49.0 -63.7 -39.8 11.3 8.7 -28.8 73 73 A L H < S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.784 118.6 39.5 -72.7 -27.5 8.9 11.3 -27.4 74 74 A R H < S+ 0 0 184 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.749 132.5 20.6 -92.6 -30.0 6.1 10.3 -29.7 75 75 A T H < S- 0 0 82 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.610 94.5-121.5-116.7 -20.5 6.5 6.5 -29.7 76 76 A G S < S+ 0 0 47 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.465 86.0 61.8 85.8 2.5 8.5 5.8 -26.5 77 77 A K S S- 0 0 115 -6,-0.5 2,-0.4 -9,-0.0 -2,-0.3 -0.920 73.7-125.5-148.9 174.2 11.2 4.1 -28.6 78 78 A V >> - 0 0 3 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.971 13.4-149.7-130.5 113.7 13.9 4.6 -31.3 79 79 A R H 3> S+ 0 0 176 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.861 98.4 57.4 -53.0 -41.6 13.7 2.3 -34.3 80 80 A K H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 107.0 48.9 -55.4 -42.6 17.5 2.5 -34.8 81 81 A H H <> S+ 0 0 21 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.922 112.1 48.4 -61.6 -45.2 18.0 1.3 -31.2 82 82 A E H X S+ 0 0 82 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.839 110.8 52.6 -64.4 -34.5 15.6 -1.6 -31.9 83 83 A E H X S+ 0 0 55 -4,-2.6 4,-1.1 2,-0.2 3,-0.4 0.884 111.5 42.8 -69.2 -44.0 17.4 -2.4 -35.2 84 84 A L H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.793 108.3 62.4 -72.9 -27.2 20.9 -2.6 -33.6 85 85 A S H < S+ 0 0 49 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.729 100.7 53.0 -67.6 -23.9 19.2 -4.6 -30.8 86 86 A R H < S+ 0 0 189 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.848 115.3 39.2 -76.8 -37.5 18.3 -7.2 -33.4 87 87 A K H < S+ 0 0 118 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.716 117.1 57.3 -80.2 -23.4 21.9 -7.5 -34.5 88 88 A V S < S- 0 0 5 -4,-2.0 -1,-0.2 -5,-0.1 -72,-0.0 -0.917 77.5-147.6-119.5 104.8 23.2 -7.2 -30.9 89 89 A P > - 0 0 47 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.108 30.0-102.3 -50.9 176.6 22.1 -9.7 -28.2 90 90 A R H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 27,-0.1 0.957 114.9 39.0 -76.6 -52.7 21.7 -8.7 -24.5 91 91 A G H > S+ 0 0 6 25,-0.9 4,-2.2 2,-0.2 26,-0.5 0.681 108.5 62.1 -75.0 -21.3 24.8 -10.1 -22.9 92 92 A V H > S+ 0 0 0 24,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.916 109.9 42.5 -67.6 -44.3 27.1 -9.2 -25.9 93 93 A L H X S+ 0 0 7 -4,-1.0 4,-1.7 23,-0.2 -2,-0.2 0.925 111.7 56.0 -60.5 -45.3 26.2 -5.7 -25.1 94 94 A E H X S+ 0 0 76 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.859 105.8 51.5 -57.2 -37.2 26.6 -6.5 -21.4 95 95 A V H < S+ 0 0 0 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.937 107.4 51.2 -65.6 -46.6 30.2 -7.7 -22.1 96 96 A M H < S+ 0 0 2 -4,-1.9 6,-0.4 1,-0.2 -1,-0.2 0.800 115.6 43.4 -63.0 -28.1 31.2 -4.5 -24.0 97 97 A E H X S+ 0 0 37 -4,-1.7 4,-0.6 4,-0.2 -2,-0.2 0.935 73.0 118.2 -84.0 -51.4 29.9 -2.4 -21.1 98 98 A V T >< S- 0 0 3 -4,-2.4 3,-1.2 -5,-0.2 50,-0.2 0.149 92.7 -86.8 -16.2 108.9 31.2 -4.3 -18.1 99 99 A P T 34 S+ 0 0 15 0, 0.0 48,-0.3 0, 0.0 -1,-0.1 0.052 118.6 27.8 -36.5 136.8 33.4 -1.3 -16.8 100 100 A G T 34 S+ 0 0 10 -3,-0.2 -2,-0.1 1,-0.2 44,-0.1 0.503 107.9 85.5 87.0 4.0 36.8 -1.5 -18.5 101 101 A V << + 0 0 27 -3,-1.2 -5,-0.2 -4,-0.6 -4,-0.2 0.237 52.2 175.1-105.9-125.9 35.5 -3.2 -21.7 102 102 A G > - 0 0 12 -6,-0.4 4,-2.9 -7,-0.3 5,-0.2 -0.566 42.1 -71.0 128.9 160.3 34.0 -1.7 -24.8 103 103 A P H > S+ 0 0 8 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.841 118.3 43.1 -55.1 -61.7 32.7 -2.6 -28.4 104 104 A K H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.896 119.4 46.6 -60.6 -42.0 35.7 -3.5 -30.6 105 105 A T H >> S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 3,-0.5 0.974 112.8 49.3 -57.2 -58.5 37.2 -5.5 -27.8 106 106 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.591 106.6 59.5 -55.3 -16.2 33.7 -7.1 -27.2 107 107 A R H 3X S+ 0 0 68 -4,-0.8 4,-3.7 -3,-0.3 5,-0.4 0.876 108.7 39.8 -84.0 -41.4 33.7 -7.7 -31.0 108 108 A L H S+ 0 0 36 -4,-1.8 4,-2.3 -3,-0.5 5,-0.7 0.869 117.1 53.3 -69.5 -36.6 36.8 -9.9 -31.0 109 109 A L H X>S+ 0 0 0 -4,-3.1 4,-1.1 3,-0.2 5,-0.9 0.897 116.1 38.6 -57.0 -45.7 35.3 -11.2 -27.8 110 110 A Y H X5S+ 0 0 85 -4,-1.6 4,-1.0 4,-0.2 -2,-0.2 0.972 128.3 31.2 -71.2 -57.4 32.1 -12.0 -29.7 111 111 A E H <5S+ 0 0 132 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.934 128.8 39.4 -66.3 -46.8 33.6 -13.2 -33.0 112 112 A G H <5S+ 0 0 46 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.846 133.1 16.1 -75.2 -38.8 36.8 -14.7 -31.5 113 113 A L H < S+ 0 0 24 -2,-0.2 4,-2.1 2,-0.1 5,-0.2 0.728 95.6 74.1-128.8 -35.7 29.0 -12.9 -19.0 119 119 A E H > S+ 0 0 141 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.927 99.5 55.3 -55.0 -45.5 29.7 -16.3 -17.6 120 120 A K H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 104.7 52.8 -52.9 -49.1 32.1 -16.9 -20.5 121 121 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.967 110.1 47.5 -47.7 -63.7 34.0 -13.7 -19.6 122 122 A K H X S+ 0 0 86 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.892 111.1 53.0 -40.9 -51.2 34.5 -14.9 -16.1 123 123 A A H X S+ 0 0 34 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.906 110.8 45.7 -54.5 -49.6 35.5 -18.3 -17.5 124 124 A A H X>S+ 0 0 0 -4,-2.7 5,-1.5 -3,-0.3 4,-1.4 0.905 111.5 52.5 -63.1 -48.2 38.2 -16.8 -19.7 125 125 A L H <5S+ 0 0 22 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.935 111.4 45.2 -51.4 -51.7 39.5 -14.5 -16.9 126 126 A D H <5S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 116.6 44.9 -68.3 -32.2 40.0 -17.4 -14.4 127 127 A R H <5S- 0 0 180 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.625 110.3-115.7 -84.5 -17.2 41.7 -19.7 -17.0 128 128 A G T ><5S+ 0 0 17 -4,-1.4 3,-0.6 -3,-0.4 4,-0.5 0.555 71.7 136.9 87.1 10.9 44.0 -17.1 -18.5 129 129 A D G >>< + 0 0 31 -5,-1.5 3,-2.0 -6,-0.2 4,-0.9 0.872 68.4 55.6 -53.9 -42.9 42.3 -17.3 -21.9 130 130 A L G 34 S+ 0 0 11 -6,-0.6 3,-0.3 1,-0.3 6,-0.3 0.831 91.8 71.4 -70.1 -25.9 42.3 -13.5 -22.3 131 131 A T G <4 S+ 0 0 93 -3,-0.6 -1,-0.3 -7,-0.3 -2,-0.2 0.751 110.5 34.3 -55.1 -25.2 46.1 -13.6 -21.8 132 132 A R T <4 S+ 0 0 199 -3,-2.0 2,-0.5 -4,-0.5 -2,-0.2 0.499 91.5 103.3-105.9 -11.5 46.0 -15.2 -25.3 133 133 A L S >< S- 0 0 21 -4,-0.9 3,-2.0 -3,-0.3 -24,-0.1 -0.666 89.8 -98.9 -72.0 125.2 43.1 -13.4 -27.0 134 134 A K T 3 S+ 0 0 151 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 -0.205 108.4 14.7 -45.8 118.8 44.6 -10.8 -29.4 135 135 A G T 3 S+ 0 0 55 -4,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.573 97.7 107.1 87.8 11.8 44.6 -7.4 -27.6 136 136 A F < + 0 0 8 -3,-2.0 -3,-0.3 -6,-0.3 -1,-0.1 -0.706 46.9 146.6-124.4 80.1 43.9 -8.7 -24.1 137 137 A G - 0 0 33 -2,-0.4 4,-0.2 -5,-0.1 -4,-0.1 0.486 47.8 -47.3 -94.0-135.7 47.2 -8.3 -22.1 138 138 A P S >> S+ 0 0 118 0, 0.0 3,-3.5 0, 0.0 4,-0.7 0.991 115.7 29.9 -78.5 -87.9 48.5 -7.6 -18.5 139 139 A K H 3> S+ 0 0 166 1,-0.3 4,-1.4 2,-0.2 3,-0.1 0.663 119.2 59.7 -49.5 -21.4 47.1 -4.7 -16.3 140 140 A R H 3> S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.573 87.9 71.3 -85.1 -13.6 43.8 -5.1 -18.2 141 141 A A H <> S+ 0 0 47 -3,-3.5 4,-1.0 -4,-0.2 -2,-0.2 0.890 105.1 42.2 -65.2 -40.6 43.5 -8.7 -16.9 142 142 A E H >X S+ 0 0 103 -4,-0.7 4,-1.8 2,-0.1 3,-1.1 0.996 111.7 52.8 -59.8 -76.0 42.8 -7.1 -13.5 143 143 A R H 3X S+ 0 0 106 -4,-1.4 4,-2.8 1,-0.3 -2,-0.2 0.659 106.0 52.4 -34.8 -43.7 40.5 -4.4 -14.7 144 144 A I H 3X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.923 110.9 45.0 -71.3 -43.9 38.1 -6.6 -16.6 145 145 A R H < S+ 0 0 71 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.849 109.9 51.7 -69.0 -32.9 27.1 -8.0 -11.1 153 153 A A H >< S+ 0 0 32 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.798 93.6 73.5 -69.9 -28.5 26.8 -6.0 -7.9 154 154 A A H 3< S+ 0 0 57 -4,-1.2 -1,-0.2 1,-0.3 44,-0.2 0.766 96.1 49.7 -65.4 -24.7 24.7 -3.2 -9.5 155 155 A G T << S+ 0 0 72 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.814 105.9 76.6 -71.3 -27.9 21.7 -5.5 -9.7 156 156 A K < - 0 0 147 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.0 -0.170 68.3-135.8 -96.2 169.8 21.9 -6.4 -6.1 157 157 A R - 0 0 121 40,-0.0 40,-0.2 38,-0.0 -1,-0.1 -0.890 11.1-155.7-121.7 150.7 21.2 -4.9 -2.7 158 158 A R E -A 196 0A 112 38,-2.1 38,-2.6 -2,-0.3 5,-0.1 -0.927 35.4 -90.3-119.8 154.5 23.3 -4.9 0.5 159 159 A P E >> -A 195 0A 22 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.352 36.0-124.2 -59.1 138.9 22.1 -4.5 4.1 160 160 A L H >> S+ 0 0 1 34,-2.3 4,-2.2 1,-0.3 3,-1.5 0.912 110.7 53.2 -51.2 -45.3 22.1 -0.9 5.2 161 161 A G H 34 S+ 0 0 4 343,-0.4 4,-0.4 33,-0.3 -1,-0.3 0.667 99.5 63.5 -70.4 -14.4 24.4 -1.5 8.1 162 162 A A H <4 S+ 0 0 37 -3,-1.5 -1,-0.3 342,-0.3 -2,-0.2 0.750 121.0 20.1 -74.8 -22.1 26.9 -3.2 5.9 163 163 A V H S+ 0 0 48 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.896 114.3 49.4 -63.7 -36.6 29.6 3.6 8.0 166 166 A L H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.911 109.9 52.0 -66.3 -42.4 31.5 3.3 4.7 167 167 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.896 108.2 52.0 -60.2 -40.9 29.1 5.8 3.1 168 168 A R H X S+ 0 0 97 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.833 105.0 54.8 -68.4 -30.1 29.7 8.2 6.0 169 169 A S H X S+ 0 0 69 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.921 110.2 46.3 -67.7 -39.5 33.4 8.0 5.6 170 170 A L H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.919 108.2 57.8 -64.7 -40.9 32.9 9.0 2.0 171 171 A L H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.892 102.9 53.2 -54.6 -41.7 30.5 11.7 3.2 172 172 A E H X S+ 0 0 145 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.926 111.0 46.4 -59.6 -45.6 33.4 13.2 5.4 173 173 A A H < S+ 0 0 18 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.878 112.4 49.7 -65.2 -39.2 35.6 13.4 2.3 174 174 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.932 109.8 50.9 -65.0 -45.1 32.9 14.9 0.2 175 175 A R H 3< S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.0 56.2 -60.9 -31.5 32.2 17.6 2.8 176 176 A A T 3< S+ 0 0 81 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.521 78.5 114.5 -80.1 -7.4 35.9 18.3 3.0 177 177 A L S X S- 0 0 18 -3,-1.5 3,-1.9 -4,-0.4 2,-0.1 -0.406 77.8-113.5 -62.1 135.2 36.1 19.1 -0.8 178 178 A P T 3 S+ 0 0 121 0, 0.0 36,-0.1 0, 0.0 3,-0.1 -0.480 106.3 30.9 -66.8 136.1 37.0 22.8 -1.2 179 179 A G T 3 S+ 0 0 45 1,-0.3 2,-0.6 -2,-0.1 27,-0.5 0.191 91.3 112.1 100.0 -22.6 34.0 24.4 -2.9 180 180 A V < + 0 0 17 -3,-1.9 -1,-0.3 1,-0.2 25,-0.2 -0.792 38.5 177.6 -86.8 125.6 31.5 22.0 -1.2 181 181 A E - 0 0 111 23,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.802 66.6 -2.2 -95.2 -37.7 29.3 23.9 1.3 182 182 A R E +B 204 0B 134 22,-0.9 22,-2.8 -8,-0.0 -1,-0.4 -0.981 63.5 178.6-147.4 154.1 27.0 21.2 2.5 183 183 A A E -B 203 0B 2 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.984 2.2-175.2-154.6 154.4 26.5 17.5 1.6 184 184 A E E -B 202 0B 57 18,-2.0 18,-2.5 -2,-0.3 2,-0.6 -0.997 31.9-115.9-149.0 148.1 24.3 14.6 2.7 185 185 A L E +B 201 0B 9 -2,-0.3 16,-0.2 16,-0.2 2,-0.1 -0.769 50.5 164.7 -79.6 119.4 23.8 10.9 2.1 186 186 A C >> + 0 0 0 14,-3.3 4,-1.3 -2,-0.6 3,-0.5 0.084 24.7 73.0-113.5-139.2 20.4 10.7 0.6 187 187 A G H >> S- 0 0 5 72,-2.1 4,-0.8 1,-0.2 3,-0.7 -0.024 111.6 -30.4 53.2-156.9 18.4 8.0 -1.3 188 188 A S H 34>S+ 0 0 15 10,-0.3 5,-1.9 1,-0.2 3,-0.3 0.794 133.5 67.1 -66.4 -23.7 17.1 4.9 0.5 189 189 A A H X45S+ 0 0 5 -3,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.905 98.8 51.1 -61.4 -44.0 19.9 5.0 3.0 190 190 A R H <<5S+ 0 0 43 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.786 107.4 54.4 -65.1 -23.1 18.5 8.3 4.4 191 191 A R T 3<5S- 0 0 25 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.426 113.0-123.3 -86.6 -1.0 15.1 6.6 4.7 192 192 A Y T < 5 + 0 0 44 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.726 44.3 175.3 65.0 25.4 16.7 3.8 6.8 193 193 A K < - 0 0 60 -5,-1.9 -1,-0.2 1,-0.1 -33,-0.1 -0.372 37.2-125.0 -58.0 141.0 15.5 1.1 4.3 194 194 A D S S+ 0 0 19 -35,-0.1 -34,-2.3 -34,-0.1 2,-0.3 0.715 93.0 31.2 -76.0 -17.1 17.0 -2.2 5.5 195 195 A T E S-A 159 0A 30 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.980 76.1-162.0-133.2 147.9 18.7 -3.0 2.1 196 196 A V E -A 158 0A 4 -38,-2.6 -38,-2.1 -2,-0.3 3,-0.1 -0.936 14.0-156.7-130.0 148.5 20.0 -0.4 -0.3 197 197 A G S S- 0 0 32 1,-0.4 -39,-0.2 -2,-0.3 44,-0.1 0.370 72.3 -11.1 -86.0-129.7 21.0 -0.3 -4.0 198 198 A D S S- 0 0 56 -44,-0.2 -1,-0.4 1,-0.1 2,-0.4 -0.226 75.2-114.5 -66.1 162.1 23.5 2.4 -5.0 199 199 A L E - c 0 242B 6 42,-2.5 44,-2.9 -3,-0.1 2,-0.4 -0.823 27.9-156.5-100.1 141.6 24.4 5.2 -2.5 200 200 A D E - c 0 243B 20 -2,-0.4 -14,-3.3 -14,-0.3 2,-0.4 -0.975 7.8-170.3-126.4 129.7 23.4 8.8 -3.4 201 201 A F E -Bc 185 244B 0 42,-2.7 44,-2.5 -2,-0.4 2,-0.5 -0.950 8.9-153.0-123.7 140.3 25.0 12.0 -2.2 202 202 A L E -Bc 184 245B 0 -18,-2.5 -18,-2.0 -2,-0.4 2,-0.4 -0.931 13.1-167.6-110.5 133.8 23.8 15.5 -2.6 203 203 A V E -Bc 183 246B 2 42,-2.6 44,-2.6 -2,-0.5 2,-0.5 -0.959 15.2-146.6-119.9 138.7 26.2 18.5 -2.6 204 204 A A E +Bc 182 247B 1 -22,-2.8 -23,-3.0 -2,-0.4 -22,-0.9 -0.917 38.3 149.0 -94.8 124.9 25.7 22.2 -2.3 205 205 A S - 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0 0 5 -5,-0.1 -4,-2.7 1,-0.1 2,-0.5 -0.237 43.7-138.9 -54.9 133.1 30.6 1.0 -3.2 241 241 A Q E - E 0 235B 42 -6,-0.2 -42,-2.5 -44,-0.1 2,-0.4 -0.880 28.9-170.5 -96.5 124.8 28.6 2.3 -6.2 242 242 A V E -cE 199 234B 0 -8,-3.0 -8,-2.7 -2,-0.5 2,-0.4 -0.971 21.8-162.4-131.3 129.7 27.9 6.0 -5.8 243 243 A D E -cE 200 233B 40 -44,-2.9 -42,-2.7 -2,-0.4 2,-0.4 -0.888 13.6-165.4-101.8 137.6 25.8 8.7 -7.4 244 244 A L E -cE 201 232B 3 -12,-2.9 -12,-1.8 -2,-0.4 2,-0.4 -0.984 5.7-174.5-117.6 139.4 26.6 12.3 -6.8 245 245 A R E -cE 202 231B 41 -44,-2.5 -42,-2.6 -2,-0.4 2,-0.4 -0.995 8.7-156.6-129.7 139.7 24.3 15.3 -7.6 246 246 A V E +c 203 0B 5 -16,-2.7 -42,-0.2 -2,-0.4 -38,-0.0 -0.923 14.4 172.1-113.4 137.9 25.3 18.9 -7.2 247 247 A V E -c 204 0B 2 -44,-2.6 -42,-2.2 -2,-0.4 5,-0.1 -0.941 40.5 -91.7-133.9 162.3 22.9 21.8 -6.7 248 248 A P > - 0 0 51 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.294 43.0-106.6 -67.7 157.7 23.5 25.5 -5.9 249 249 A P G > S+ 0 0 18 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.853 120.6 59.5 -55.7 -33.4 23.4 26.4 -2.2 250 250 A E G 3 S+ 0 0 55 1,-0.3 4,-0.1 2,-0.1 46,-0.1 0.621 109.6 45.2 -68.3 -11.7 20.0 28.2 -2.7 251 251 A S G <> S+ 0 0 7 -3,-2.3 4,-2.8 44,-0.1 -1,-0.3 0.317 78.3 108.8-110.3 2.2 18.6 24.8 -3.9 252 252 A Y H <> S+ 0 0 6 -3,-1.3 4,-2.5 -4,-0.3 43,-0.2 0.860 79.5 47.2 -57.0 -45.5 20.1 22.5 -1.3 253 253 A G H > S+ 0 0 0 41,-1.5 4,-2.1 -4,-0.3 -1,-0.3 0.887 113.4 48.3 -64.3 -40.5 16.9 21.8 0.6 254 254 A A H > S+ 0 0 0 40,-1.7 4,-2.7 -3,-0.2 -2,-0.2 0.892 111.5 51.5 -65.1 -39.2 15.0 21.1 -2.7 255 255 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 39,-0.3 -2,-0.2 0.898 107.1 53.1 -64.8 -37.1 17.9 18.8 -3.7 256 256 A L H X S+ 0 0 13 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.922 111.3 45.8 -62.4 -46.6 17.7 16.9 -0.4 257 257 A Q H >X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.962 114.6 48.8 -60.7 -48.5 14.0 16.2 -1.0 258 258 A Y H 3< S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.918 115.4 41.6 -55.8 -50.8 14.6 15.2 -4.6 259 259 A L H 3< S+ 0 0 22 -4,-2.6 -72,-2.1 1,-0.2 -1,-0.2 0.615 113.2 53.4 -80.5 -13.5 17.5 12.8 -3.9 260 260 A T H << S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.782 87.8 131.3 -87.3 -32.1 15.9 11.3 -0.8 261 261 A G < - 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