==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-SEP-09 3JPP . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,J.UPTON,B.KASHMEROV,W.A.BEARD,S.H.WILSON,M.F.GOODM . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 3 0 1 2 3 0 1 0 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 10 A T > 0 0 185 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 1.0 9.7 -15.3 12.7 2 11 A L T 3 + 0 0 92 1,-0.2 3,-0.1 36,-0.2 36,-0.1 0.886 360.0 14.8 -68.0 -40.0 10.8 -17.5 9.8 3 12 A N T 3> S+ 0 0 14 1,-0.1 4,-2.3 40,-0.1 5,-0.3 -0.236 88.6 142.1-125.2 38.5 14.3 -15.9 9.9 4 13 A G H <> + 0 0 18 -3,-0.6 4,-2.6 1,-0.2 5,-0.2 0.842 65.8 56.2 -49.9 -43.6 13.8 -14.4 13.3 5 14 A G H > S+ 0 0 33 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 110.5 43.7 -56.3 -53.9 17.4 -15.0 14.5 6 15 A I H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.910 114.7 47.6 -59.8 -47.5 18.9 -13.1 11.6 7 16 A T H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.899 111.2 51.7 -65.1 -37.9 16.5 -10.2 11.7 8 17 A D H X S+ 0 0 107 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.955 110.0 49.8 -60.7 -46.7 17.0 -9.8 15.4 9 18 A M H X S+ 0 0 6 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.899 112.5 47.6 -57.4 -42.7 20.8 -9.8 14.9 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.873 110.1 51.7 -67.4 -37.8 20.4 -7.2 12.2 11 20 A T H X S+ 0 0 62 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.872 109.0 50.7 -67.7 -35.5 18.1 -5.0 14.4 12 21 A E H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.896 111.5 48.5 -68.4 -39.1 20.6 -5.2 17.3 13 22 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.906 110.5 51.1 -65.8 -42.3 23.4 -4.1 14.9 14 23 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 110.4 48.7 -61.7 -45.5 21.2 -1.3 13.6 15 24 A N H X S+ 0 0 67 -4,-2.4 4,-3.2 1,-0.2 5,-0.5 0.918 109.4 52.7 -61.8 -42.7 20.5 -0.0 17.1 16 25 A F H X>S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 5,-1.9 0.925 110.9 46.8 -58.0 -46.8 24.2 -0.1 18.0 17 26 A E H <5S+ 0 0 8 -4,-2.3 6,-3.1 3,-0.2 5,-0.4 0.861 117.7 43.5 -64.7 -36.0 25.1 2.0 15.0 18 27 A K H <5S+ 0 0 64 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.953 124.9 29.4 -74.1 -52.1 22.3 4.5 15.7 19 28 A N H <5S+ 0 0 17 -4,-3.2 84,-0.2 -5,-0.2 -3,-0.2 0.873 134.7 22.6 -78.4 -42.3 22.7 4.9 19.4 20 29 A V T <5S+ 0 0 11 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.906 131.8 33.1 -94.1 -52.9 26.4 4.3 20.0 21 30 A S S > + 0 0 30 -6,-3.1 4,-2.1 1,-0.1 3,-1.0 -0.735 26.0 179.7-116.7 77.6 26.0 6.4 12.1 24 33 A I H 3> S+ 0 0 79 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.780 77.3 56.3 -51.6 -34.4 22.4 6.8 10.9 25 34 A H H 3> S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.861 109.0 45.5 -71.0 -32.9 23.2 5.5 7.4 26 35 A K H <> S+ 0 0 117 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.864 110.5 56.6 -72.9 -36.0 24.6 2.2 8.8 27 36 A Y H X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.966 111.9 40.7 -57.0 -53.7 21.5 2.1 11.1 28 37 A N H X S+ 0 0 37 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.834 110.4 58.5 -66.0 -32.9 19.3 2.3 8.0 29 38 A A H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.949 110.5 43.1 -61.7 -46.8 21.4 -0.1 6.0 30 39 A Y H X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.877 112.6 52.7 -66.4 -38.0 20.9 -2.7 8.8 31 40 A R H X S+ 0 0 37 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.907 108.8 49.8 -64.0 -43.2 17.2 -2.0 9.1 32 41 A K H X S+ 0 0 100 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.917 110.3 50.0 -61.9 -45.5 16.6 -2.4 5.4 33 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 22,-0.3 5,-0.2 0.941 112.3 48.3 -58.0 -48.0 18.4 -5.7 5.3 34 43 A A H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 112.5 48.6 -57.8 -46.3 16.3 -6.8 8.3 35 44 A S H X S+ 0 0 11 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.942 112.1 47.7 -60.4 -49.8 13.1 -5.7 6.5 36 45 A V H X S+ 0 0 20 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.871 115.4 46.1 -59.9 -38.9 14.0 -7.4 3.3 37 46 A I H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.812 106.7 56.3 -76.3 -31.1 14.9 -10.6 5.1 38 47 A A H < S+ 0 0 70 -4,-2.4 -36,-0.2 -5,-0.2 -1,-0.2 0.788 110.2 48.2 -70.4 -24.2 11.8 -10.6 7.3 39 48 A K H < S+ 0 0 133 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.760 84.3 108.0 -84.8 -28.4 9.7 -10.5 4.1 40 49 A Y < - 0 0 48 -4,-1.0 4,-0.1 1,-0.1 -38,-0.1 -0.304 64.6-145.8 -54.3 125.3 11.6 -13.3 2.4 41 50 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.196 72.0 73.5 -82.4 16.3 9.3 -16.4 2.3 42 51 A H S S- 0 0 106 -39,-0.0 2,-0.8 0, 0.0 -2,-0.0 -0.936 88.3-107.8-130.1 153.1 12.1 -19.0 2.8 43 52 A K - 0 0 153 -2,-0.3 -40,-0.1 1,-0.1 2,-0.0 -0.706 47.2-120.0 -79.0 111.6 14.2 -20.1 5.7 44 53 A I - 0 0 5 -2,-0.8 3,-0.1 1,-0.1 -38,-0.1 -0.315 31.2-176.5 -58.6 130.3 17.6 -18.6 4.8 45 54 A K + 0 0 166 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.541 62.4 4.2-104.3 -13.2 20.3 -21.3 4.5 46 55 A S > - 0 0 36 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.993 66.1-109.1-166.4 163.0 23.4 -19.1 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.875 118.6 58.2 -64.4 -35.8 24.8 -15.6 3.5 48 57 A A H > S+ 0 0 68 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.918 105.1 48.9 -59.3 -45.9 25.0 -16.2 -0.3 49 58 A E H >4 S+ 0 0 31 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.884 114.1 47.2 -61.1 -39.1 21.3 -16.9 -0.4 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.836 100.0 65.7 -72.0 -34.0 20.7 -13.7 1.5 51 60 A K H 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.656 88.8 69.3 -64.8 -14.7 23.0 -11.6 -0.6 52 61 A K T << S+ 0 0 173 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.834 83.9 85.7 -70.4 -32.9 20.6 -12.1 -3.5 53 62 A L S X S- 0 0 27 -3,-1.5 3,-1.8 -4,-0.4 2,-0.2 -0.489 94.8-107.2 -71.2 136.0 18.1 -9.9 -1.7 54 63 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 -0.467 106.5 32.6 -66.5 126.5 18.6 -6.2 -2.4 55 64 A G T 3 S+ 0 0 37 -2,-0.2 2,-0.8 1,-0.2 -22,-0.3 0.167 94.2 100.8 111.6 -16.5 20.0 -4.5 0.7 56 65 A V < + 0 0 5 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.894 51.9 171.2-105.3 107.0 22.0 -7.5 1.7 57 66 A G > - 0 0 33 -2,-0.8 4,-1.8 -3,-0.1 5,-0.1 -0.095 49.8 -73.9 -97.7-160.0 25.6 -6.9 0.7 58 67 A T H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.894 125.2 51.7 -65.8 -44.6 28.9 -8.7 1.4 59 68 A K H > S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 114.3 41.1 -60.4 -50.0 29.3 -7.6 5.0 60 69 A I H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 111.9 57.1 -68.3 -35.1 25.9 -8.6 6.2 61 70 A A H X S+ 0 0 7 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.906 106.5 50.1 -61.2 -42.1 26.2 -11.9 4.2 62 71 A E H X S+ 0 0 123 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.934 110.2 49.8 -60.8 -46.0 29.3 -12.7 6.1 63 72 A K H X S+ 0 0 33 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.876 107.4 54.3 -61.5 -38.5 27.5 -12.0 9.4 64 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.870 106.6 52.1 -64.6 -36.4 24.6 -14.2 8.4 65 74 A D H X S+ 0 0 75 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.935 110.6 47.4 -64.9 -45.2 27.1 -17.1 7.7 66 75 A E H X>S+ 0 0 38 -4,-2.1 4,-3.0 1,-0.2 5,-0.5 0.931 113.2 49.1 -60.9 -44.8 28.6 -16.7 11.2 67 76 A F H X5S+ 0 0 44 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.913 112.9 45.2 -62.6 -44.6 25.2 -16.5 12.8 68 77 A L H <5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.1 49.4 -66.5 -36.2 23.9 -19.7 11.0 69 78 A A H <5S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.934 131.9 10.8 -68.4 -48.5 27.2 -21.4 11.8 70 79 A T H <5S- 0 0 89 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.634 93.7-117.1-109.2 -17.9 27.3 -20.6 15.6 71 80 A G S < - 0 0 4 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.986 9.7-151.8-131.6 121.8 27.7 -13.0 16.3 74 83 A R H > S+ 0 0 164 -2,-0.4 4,-2.4 1,-0.2 5,-0.3 0.890 97.7 60.6 -56.9 -42.0 31.1 -12.2 18.0 75 84 A K H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 110.6 40.9 -53.4 -43.0 30.7 -8.5 17.1 76 85 A L H > S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.928 108.4 59.3 -72.0 -46.1 27.6 -8.3 19.1 77 86 A E H X S+ 0 0 76 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.888 110.2 44.8 -48.2 -44.1 28.9 -10.5 22.0 78 87 A K H X S+ 0 0 160 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.891 110.4 52.9 -68.6 -42.6 31.6 -7.9 22.5 79 88 A I H < S+ 0 0 18 -4,-1.6 3,-0.5 -5,-0.3 7,-0.3 0.916 107.0 53.6 -60.8 -41.7 29.3 -4.9 22.2 80 89 A R H < S+ 0 0 111 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.4 49.6 -61.8 -33.7 27.1 -6.5 24.9 81 90 A Q H < S+ 0 0 153 -4,-1.2 2,-0.5 -5,-0.3 -1,-0.2 0.724 88.5 97.5 -78.3 -22.8 30.1 -6.7 27.2 82 91 A D X - 0 0 68 -4,-1.3 4,-2.3 -3,-0.5 5,-0.2 -0.567 63.8-155.6 -71.6 118.5 31.1 -3.1 26.7 83 92 A D H > S+ 0 0 118 -2,-0.5 4,-3.0 2,-0.2 5,-0.2 0.913 89.9 49.5 -61.6 -47.1 29.7 -1.0 29.5 84 93 A T H > S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.961 113.4 45.7 -59.1 -52.4 29.6 2.3 27.7 85 94 A S H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 115.4 48.0 -56.3 -45.2 27.8 0.8 24.7 86 95 A S H X S+ 0 0 44 -4,-2.3 4,-2.6 -7,-0.3 -1,-0.2 0.919 113.4 46.4 -62.3 -46.8 25.4 -1.0 26.9 87 96 A S H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.928 114.2 48.1 -63.0 -45.4 24.7 2.0 29.1 88 97 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.923 111.7 49.6 -62.3 -44.7 24.2 4.2 26.0 89 98 A N H < S+ 0 0 38 -4,-2.7 4,-0.4 -5,-0.3 -2,-0.2 0.946 112.6 48.9 -59.9 -46.5 21.9 1.7 24.4 90 99 A F H >< S+ 0 0 51 -4,-2.6 3,-2.0 1,-0.2 4,-0.2 0.937 108.3 50.9 -59.0 -52.3 19.8 1.5 27.6 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.849 100.4 64.2 -56.1 -36.5 19.4 5.2 28.2 92 101 A T T 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.620 87.2 73.6 -63.8 -11.0 18.2 5.8 24.6 93 102 A R T < S+ 0 0 125 -3,-2.0 2,-0.5 -4,-0.4 -1,-0.3 0.630 76.9 90.7 -78.4 -11.6 15.2 3.6 25.5 94 103 A V S X S- 0 0 2 -3,-2.1 3,-2.2 -4,-0.2 2,-0.3 -0.732 92.8-113.6 -83.6 127.1 13.9 6.5 27.5 95 104 A S T 3 S+ 0 0 34 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.448 104.5 28.2 -62.3 124.3 11.6 8.6 25.3 96 105 A G T 3 S+ 0 0 32 -2,-0.3 2,-0.7 1,-0.2 31,-0.3 0.136 96.7 100.8 110.8 -20.3 13.4 12.0 24.9 97 106 A I < + 0 0 6 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.887 50.3 178.3-103.0 112.6 16.9 10.6 25.3 98 107 A G > - 0 0 30 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.337 49.0 -77.9 -99.3-173.5 18.7 10.2 22.0 99 108 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.870 129.3 47.5 -53.0 -43.5 22.3 9.1 21.2 100 109 A S H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.948 114.2 44.5 -66.4 -49.7 23.8 12.4 22.1 101 110 A A H > S+ 0 0 24 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 113.6 52.9 -62.4 -38.3 22.0 12.8 25.4 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.958 110.7 45.0 -62.3 -51.1 22.7 9.2 26.3 103 112 A R H X S+ 0 0 85 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.846 112.8 53.3 -62.8 -32.4 26.4 9.6 25.7 104 113 A K H X S+ 0 0 124 -4,-2.1 4,-1.1 2,-0.2 3,-0.4 0.949 109.0 47.5 -67.9 -47.2 26.4 12.8 27.6 105 114 A F H ><>S+ 0 0 13 -4,-2.7 5,-2.7 1,-0.3 3,-0.7 0.897 108.5 54.5 -60.1 -42.0 24.7 11.3 30.7 106 115 A V H ><5S+ 0 0 12 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.827 104.3 56.5 -61.9 -29.2 27.2 8.4 30.6 107 116 A D H 3<5S+ 0 0 126 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.785 106.4 49.5 -70.8 -27.7 29.9 11.0 30.7 108 117 A E T <<5S- 0 0 82 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.343 123.7-105.4 -91.6 4.6 28.4 12.3 33.9 109 118 A G T < 5S+ 0 0 48 -3,-1.0 2,-0.9 1,-0.2 -3,-0.2 0.578 80.1 133.9 83.0 8.2 28.2 8.9 35.4 110 119 A I < + 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.829 15.9 136.5 -93.4 104.0 24.5 8.6 34.9 111 120 A K + 0 0 72 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.397 47.9 59.0-131.0 1.1 24.0 5.2 33.4 112 121 A T S > S- 0 0 58 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.854 80.9-109.1-133.1 169.4 21.1 3.5 35.1 113 122 A L H > S+ 0 0 44 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.918 122.9 52.4 -58.8 -42.8 17.3 3.8 35.7 114 123 A E H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 108.7 50.2 -58.9 -46.1 18.2 4.5 39.3 115 124 A D H 4 S+ 0 0 23 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.914 108.9 50.6 -60.0 -45.8 20.7 7.2 38.2 116 125 A L H >< S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.919 108.6 53.5 -59.4 -43.3 18.1 8.9 36.0 117 126 A R H >< S+ 0 0 149 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.909 109.6 45.4 -59.4 -45.4 15.6 8.9 38.8 118 127 A K T 3< S+ 0 0 137 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.361 115.8 50.5 -81.6 8.0 17.9 10.6 41.3 119 128 A N T X + 0 0 28 -3,-1.4 3,-2.7 -4,-0.2 -1,-0.2 0.033 61.9 130.2-131.3 24.7 18.8 13.1 38.6 120 129 A E G X + 0 0 81 -3,-1.1 3,-2.5 1,-0.3 -2,-0.1 0.826 66.1 73.0 -48.2 -33.4 15.4 14.3 37.3 121 130 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.820 93.5 53.5 -52.5 -32.5 16.8 17.8 37.8 122 131 A K G < S+ 0 0 87 -3,-2.7 2,-0.4 -6,-0.2 -1,-0.3 0.266 93.7 91.3 -89.6 13.2 19.0 17.2 34.7 123 132 A L < - 0 0 20 -3,-2.5 2,-0.0 -4,-0.1 -3,-0.0 -0.853 69.1-132.7-110.8 143.3 16.1 16.2 32.4 124 133 A N > - 0 0 89 -2,-0.4 4,-1.9 -28,-0.1 5,-0.2 -0.236 43.3 -88.5 -79.3 179.8 14.0 18.3 30.1 125 134 A H H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.943 125.3 46.7 -56.0 -53.7 10.2 17.9 30.1 126 135 A H H > S+ 0 0 40 1,-0.2 4,-2.3 93,-0.2 3,-0.3 0.944 113.0 48.6 -54.7 -53.0 10.0 15.2 27.5 127 136 A Q H > S+ 0 0 16 -31,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.841 109.2 56.1 -57.3 -33.7 12.8 13.1 29.0 128 137 A R H X S+ 0 0 123 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.897 109.3 43.2 -67.4 -42.6 11.1 13.5 32.4 129 138 A I H X S+ 0 0 11 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.838 111.7 57.5 -72.3 -30.5 7.7 12.1 31.2 130 139 A G H < S+ 0 0 1 -4,-2.3 -35,-0.3 -35,-0.4 -2,-0.2 0.910 108.8 43.6 -64.3 -42.7 9.7 9.4 29.4 131 140 A L H >< S+ 0 0 9 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.922 109.3 58.2 -67.9 -44.5 11.4 8.2 32.6 132 141 A K H 3< S+ 0 0 129 -4,-2.0 3,-0.2 1,-0.3 -2,-0.2 0.884 119.5 29.0 -52.3 -43.9 8.1 8.4 34.5 133 142 A Y T 3X S+ 0 0 17 -4,-1.9 4,-3.0 1,-0.2 -1,-0.3 0.088 81.6 126.5-107.4 23.1 6.4 5.9 32.1 134 143 A F H <> S+ 0 0 29 -3,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.901 78.2 42.9 -46.2 -53.1 9.5 4.0 31.1 135 144 A G H >> S+ 0 0 39 -4,-0.3 3,-1.2 -3,-0.2 4,-0.6 0.947 115.2 48.2 -61.2 -50.4 8.0 0.6 32.0 136 145 A D H >4 S+ 0 0 39 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.897 105.1 57.4 -58.9 -44.0 4.6 1.3 30.5 137 146 A F H 3< S+ 0 0 43 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.643 100.6 60.4 -64.8 -12.6 5.9 2.6 27.2 138 147 A E H << S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.704 88.9 92.7 -84.1 -23.1 7.7 -0.7 26.8 139 148 A K S << S- 0 0 100 -3,-1.5 2,-0.2 -4,-0.6 -3,-0.0 -0.375 76.7-123.2 -73.5 150.1 4.4 -2.6 26.9 140 149 A R - 0 0 142 -2,-0.1 40,-0.2 38,-0.0 -1,-0.1 -0.490 18.6-125.5 -86.9 161.0 2.4 -3.5 23.7 141 150 A I E -A 179 0A 1 38,-2.6 38,-2.5 -2,-0.2 40,-0.1 -0.940 21.2-132.4-112.5 113.9 -1.2 -2.3 23.2 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-1.9 0, 0.0 3,-1.4 -0.377 20.3-121.4 -62.0 141.1 -3.6 -5.2 22.4 143 152 A R H 3> S+ 0 0 60 34,-2.2 4,-2.4 1,-0.3 5,-0.2 0.824 113.6 63.2 -54.0 -32.5 -5.8 -4.3 19.4 144 153 A E H 3> S+ 0 0 148 33,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.892 106.3 43.9 -61.2 -36.6 -8.8 -4.8 21.7 145 154 A E H <> S+ 0 0 28 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.870 108.6 56.7 -74.3 -37.0 -7.5 -1.9 23.7 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.892 105.2 54.3 -58.6 -38.8 -6.7 0.2 20.6 147 156 A L H X S+ 0 0 80 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.883 108.4 46.7 -63.5 -39.6 -10.4 -0.3 19.7 148 157 A Q H X S+ 0 0 68 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.894 113.5 49.8 -69.0 -38.4 -11.6 1.1 23.1 149 158 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.911 109.3 50.9 -65.0 -43.5 -9.1 4.0 22.7 150 159 A Q H X S+ 0 0 53 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.917 108.2 53.7 -58.3 -45.3 -10.4 4.7 19.1 151 160 A D H X S+ 0 0 95 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.911 111.8 43.9 -57.3 -48.0 -14.0 4.8 20.4 152 161 A I H X S+ 0 0 36 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.946 114.9 48.5 -64.2 -50.3 -13.1 7.3 23.1 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.925 113.8 44.2 -59.1 -49.1 -11.1 9.6 20.8 154 163 A L H X S+ 0 0 61 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.938 116.5 46.9 -63.7 -44.9 -13.6 9.7 17.9 155 164 A N H X S+ 0 0 60 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.900 113.6 47.3 -63.7 -41.4 -16.5 10.3 20.3 156 165 A E H X S+ 0 0 17 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.900 113.2 48.9 -67.2 -39.6 -14.7 13.0 22.3 157 166 A V H >X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 3,-0.7 0.930 108.4 54.4 -63.5 -44.3 -13.6 14.7 19.1 158 167 A K H 3< S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 103.8 56.5 -56.7 -39.3 -17.2 14.4 17.8 159 168 A K H 3< S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 106.2 49.7 -64.3 -31.2 -18.4 16.2 21.0 160 169 A V H << S- 0 0 39 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.945 136.0 -13.0 -73.0 -50.6 -16.1 19.2 20.3 161 170 A D >< - 0 0 37 -4,-1.9 3,-2.2 1,-0.1 -1,-0.3 -0.866 55.4-142.8-157.9 119.6 -17.2 19.7 16.7 162 171 A S T 3 S+ 0 0 99 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.720 99.1 65.4 -52.6 -25.9 -19.2 17.3 14.5 163 172 A E T 3 S+ 0 0 106 -5,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.509 76.2 105.4 -81.7 -2.4 -17.1 18.3 11.5 164 173 A Y < - 0 0 14 -3,-2.2 2,-0.5 -7,-0.2 24,-0.2 -0.470 55.4-157.2 -73.8 147.3 -13.8 16.9 12.9 165 174 A I E -B 187 0B 73 22,-2.2 22,-1.4 -2,-0.1 2,-0.5 -0.961 8.0-170.6-129.6 112.8 -12.6 13.6 11.3 166 175 A A E -B 186 0B 12 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.916 3.3-173.6-106.3 127.2 -10.3 11.6 13.5 167 176 A T E -B 185 0B 28 18,-2.9 18,-3.4 -2,-0.5 2,-0.6 -0.981 19.3-138.5-123.9 125.9 -8.6 8.6 11.8 168 177 A V E +B 184 0B 6 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.707 36.6 162.2 -83.8 122.9 -6.4 6.0 13.7 169 178 A C >> + 0 0 1 14,-2.8 4,-1.1 -2,-0.6 3,-0.8 0.118 26.3 77.7-113.2-134.2 -3.4 5.2 11.6 170 179 A G H >> S- 0 0 5 93,-2.4 4,-1.0 1,-0.2 3,-0.7 -0.147 113.7 -25.0 58.6-156.5 -0.0 3.6 12.3 171 180 A S H 34>S+ 0 0 21 1,-0.2 5,-2.6 2,-0.2 -1,-0.2 0.767 135.2 66.8 -60.4 -27.3 0.2 -0.2 12.7 172 181 A F H X45S+ 0 0 14 -3,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.931 101.9 45.3 -59.9 -46.7 -3.5 -0.2 13.8 173 182 A R H <<5S+ 0 0 67 -4,-1.1 -1,-0.2 -3,-0.7 149,-0.2 0.756 107.0 60.7 -69.0 -22.2 -4.6 0.9 10.3 174 183 A R T 3<5S- 0 0 44 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.385 123.5-108.1 -83.8 4.7 -2.2 -1.7 8.9 175 184 A G T < 5 + 0 0 38 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.529 55.9 172.2 83.6 8.2 -4.3 -4.3 10.8 176 185 A A < - 0 0 27 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.125 36.0-140.5 -51.6 141.8 -1.7 -5.1 13.5 177 186 A E S S+ 0 0 149 1,-0.2 -34,-2.2 -35,-0.1 2,-0.3 0.591 90.9 17.2 -79.8 -10.0 -2.9 -7.3 16.3 178 187 A S E S-A 142 0A 39 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.972 73.5-153.6-156.2 150.1 -1.0 -5.1 18.7 179 188 A S E -A 141 0A 0 -38,-2.5 -38,-2.6 -2,-0.3 3,-0.1 -0.908 21.4-138.6-128.9 155.8 0.5 -1.6 18.5 180 189 A G S S- 0 0 41 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.734 86.7 -23.7 -81.6 -23.3 3.3 0.3 20.2 181 190 A D S S- 0 0 33 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.886 74.2 -85.7-163.5-169.1 1.2 3.4 20.5 182 191 A M E - c 0 246B 0 63,-1.7 65,-2.5 -2,-0.2 2,-0.5 -0.979 31.0-166.6-121.4 128.8 -1.8 5.2 19.0 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.8 -14,-0.3 2,-0.5 -0.965 6.4-168.9-117.1 124.3 -1.5 7.5 16.0 184 193 A V E -Bc 168 248B 2 63,-3.1 65,-2.9 -2,-0.5 2,-0.5 -0.950 10.5-158.9-120.6 122.8 -4.3 9.9 15.2 185 194 A L E -Bc 167 249B 0 -18,-3.4 -18,-2.9 -2,-0.5 2,-0.4 -0.835 19.6-165.6 -94.6 132.4 -4.7 11.9 12.0 186 195 A L E +Bc 166 250B 0 63,-3.2 65,-2.5 -2,-0.5 2,-0.3 -0.946 11.6 175.5-124.0 143.2 -7.1 14.8 12.5 187 196 A T E -B 165 0B 5 -22,-1.4 -22,-2.2 -2,-0.4 5,-0.1 -0.978 7.6-177.3-141.7 154.2 -8.8 17.1 10.0 188 197 A H > - 0 0 0 3,-0.4 3,-2.1 63,-0.3 65,-0.6 -0.977 35.0-123.9-148.8 138.9 -11.4 19.9 10.1 189 198 A P T 3 S+ 0 0 49 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.755 108.6 65.5 -57.7 -23.4 -12.9 21.8 7.2 190 199 A S T 3 S+ 0 0 17 1,-0.2 7,-2.6 6,-0.1 2,-0.6 0.616 95.3 64.5 -74.6 -12.1 -11.7 25.1 8.6 191 200 A F B < +F 196 0C 29 -3,-2.1 62,-2.7 5,-0.2 -3,-0.4 -0.894 65.5 142.6-119.6 104.4 -8.0 24.0 8.1 192 201 A T - 0 0 34 3,-2.5 3,-0.4 -2,-0.6 -2,-0.0 -0.792 67.0 -99.9-129.2 171.1 -7.0 23.6 4.5 193 202 A S S S+ 0 0 66 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.640 124.1 58.8 -66.6 -11.8 -3.8 24.3 2.6 194 203 A E S S- 0 0 160 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.828 121.0 -28.7 -86.8 -36.7 -5.7 27.4 1.5 195 204 A S - 0 0 46 -3,-0.4 -3,-2.5 0, 0.0 2,-0.6 -0.990 43.9-120.5-172.2 166.7 -6.4 28.9 4.9 196 205 A T B +F 191 0C 88 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.899 28.4 173.2-121.3 96.4 -6.9 28.5 8.6 197 206 A K + 0 0 165 -7,-2.6 -6,-0.1 -2,-0.6 -1,-0.1 0.610 68.7 42.6 -80.3 -13.2 -10.4 29.9 9.4 198 207 A Q S S- 0 0 65 -8,-0.5 3,-0.4 0, 0.0 2,-0.2 -0.999 73.3-146.1-137.8 133.8 -10.3 28.7 13.0 199 208 A P S S+ 0 0 97 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.495 78.5 29.5 -93.0 166.9 -7.4 28.8 15.6 200 209 A K > + 0 0 135 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 0.740 69.1 147.4 58.8 26.5 -6.7 26.3 18.3 201 210 A L H > S+ 0 0 7 -3,-0.4 4,-0.8 1,-0.2 -1,-0.1 0.877 78.8 35.1 -59.4 -38.7 -8.2 23.5 16.2 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.7 2,-0.2 5,-0.2 0.889 115.5 56.7 -80.8 -42.8 -5.7 21.0 17.7 203 212 A H H > S+ 0 0 64 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.907 102.5 54.2 -54.4 -48.2 -5.7 22.6 21.1 204 213 A Q H X S+ 0 0 82 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.902 111.6 45.8 -54.4 -43.7 -9.5 22.3 21.5 205 214 A V H X S+ 0 0 3 -4,-0.8 4,-2.2 -5,-0.3 -2,-0.2 0.935 113.3 47.9 -65.5 -48.4 -9.2 18.5 20.8 206 215 A V H X S+ 0 0 0 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