==== 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 3JPR . 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) . 17518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 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 . 32 9.8 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 . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.1 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 2 0 2 1 1 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 . 1 2 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 . 3 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 0 181 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 3.7 9.7 -15.2 12.6 2 11 A L T 3 + 0 0 93 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.831 360.0 15.3 -63.7 -33.9 10.9 -17.5 9.7 3 12 A N T 3> S+ 0 0 14 40,-0.1 4,-2.6 35,-0.1 3,-0.3 -0.184 87.0 138.0-130.6 35.6 14.3 -15.9 9.9 4 13 A G H <> + 0 0 15 -3,-0.9 4,-2.9 1,-0.2 5,-0.3 0.845 66.0 60.9 -51.9 -40.1 13.8 -14.3 13.3 5 14 A G H > S+ 0 0 35 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.952 111.6 38.2 -53.5 -52.8 17.3 -15.2 14.4 6 15 A I H > S+ 0 0 5 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.897 115.5 52.3 -66.1 -44.3 18.9 -13.2 11.6 7 16 A T H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.886 107.9 51.7 -64.0 -36.9 16.4 -10.3 11.7 8 17 A D H X S+ 0 0 109 -4,-2.9 4,-2.2 -5,-0.2 5,-0.2 0.962 109.5 51.3 -62.6 -47.5 17.0 -9.9 15.4 9 18 A M H X S+ 0 0 6 -4,-1.8 4,-2.6 -5,-0.3 3,-0.5 0.952 110.8 46.4 -51.2 -58.2 20.8 -9.7 14.9 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.867 111.4 52.2 -54.7 -39.1 20.5 -7.1 12.2 11 20 A T H X S+ 0 0 62 -4,-2.1 4,-2.6 2,-0.2 -1,-0.3 0.851 109.5 49.9 -69.1 -31.0 18.1 -5.0 14.3 12 21 A E H X S+ 0 0 72 -4,-2.2 4,-1.9 -3,-0.5 -2,-0.2 0.907 111.9 47.8 -71.3 -40.8 20.6 -5.2 17.2 13 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.882 111.6 51.6 -65.7 -38.0 23.4 -4.1 14.8 14 23 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.959 108.9 48.6 -63.1 -52.1 21.1 -1.3 13.6 15 24 A N H X S+ 0 0 71 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.854 111.0 53.0 -57.7 -34.5 20.3 -0.1 17.1 16 25 A F H X>S+ 0 0 25 -4,-1.9 5,-1.9 2,-0.2 4,-1.8 0.959 108.1 47.8 -65.6 -51.7 24.1 -0.1 17.8 17 26 A E H <5S+ 0 0 5 -4,-2.4 6,-3.4 3,-0.2 5,-0.3 0.880 119.4 41.7 -57.7 -37.3 25.0 2.0 14.8 18 27 A K H <5S+ 0 0 82 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.958 123.8 31.8 -75.8 -53.1 22.3 4.5 15.7 19 28 A N H <5S+ 0 0 19 -4,-3.0 -3,-0.2 -5,-0.2 84,-0.2 0.948 135.0 19.5 -73.7 -50.9 22.6 4.7 19.5 20 29 A V T <5S+ 0 0 11 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.935 132.8 36.0 -86.5 -54.4 26.3 4.2 20.1 21 30 A S S - 0 0 28 -6,-3.4 4,-2.1 1,-0.2 3,-0.5 -0.783 25.9-177.8-115.1 81.7 25.9 6.4 12.2 24 33 A I H > S+ 0 0 87 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.830 78.4 48.3 -50.3 -45.7 22.4 7.0 10.8 25 34 A H H > S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.841 110.7 50.5 -70.3 -32.4 23.0 5.4 7.3 26 35 A K H > S+ 0 0 120 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.881 109.1 54.7 -69.5 -36.0 24.5 2.3 8.8 27 36 A Y H X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.971 111.9 41.8 -58.5 -55.0 21.4 2.1 11.0 28 37 A N H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.830 109.0 59.8 -64.6 -31.6 19.1 2.3 8.0 29 38 A A H X S+ 0 0 51 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.956 110.1 42.6 -61.0 -46.9 21.3 -0.1 6.1 30 39 A Y H X S+ 0 0 24 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.907 113.4 50.4 -66.5 -42.9 20.7 -2.7 8.8 31 40 A R H X S+ 0 0 38 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.896 110.4 50.3 -62.3 -42.7 17.0 -2.1 9.3 32 41 A K H X S+ 0 0 81 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.924 110.7 48.8 -62.1 -44.2 16.3 -2.3 5.5 33 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 22,-0.3 5,-0.2 0.920 112.7 49.1 -60.4 -43.6 18.2 -5.6 5.3 34 43 A A H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 112.7 47.5 -61.9 -43.6 16.2 -6.8 8.3 35 44 A S H X S+ 0 0 13 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.958 112.4 48.5 -62.8 -50.9 12.9 -5.7 6.6 36 45 A V H X S+ 0 0 16 -4,-3.3 4,-0.7 1,-0.2 -2,-0.2 0.871 115.7 44.3 -57.8 -39.7 13.8 -7.3 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.4 3,-0.6 -5,-0.2 -1,-0.2 0.857 106.1 59.2 -75.9 -34.7 14.7 -10.6 5.0 38 47 A A H 3< S+ 0 0 70 -4,-2.5 -36,-0.2 1,-0.3 -1,-0.2 0.782 108.9 47.6 -63.3 -24.6 11.7 -10.6 7.3 39 48 A K H 3< S+ 0 0 130 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.662 84.2 109.5 -88.3 -21.4 9.6 -10.6 4.2 40 49 A Y << - 0 0 48 -4,-0.7 4,-0.1 -3,-0.6 -38,-0.1 -0.441 63.6-147.1 -62.2 118.7 11.6 -13.4 2.5 41 50 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.079 72.2 75.6 -77.0 23.9 9.3 -16.5 2.4 42 51 A H S S- 0 0 106 -2,-0.1 2,-0.9 -39,-0.0 -2,-0.1 -0.964 87.4-111.5-135.0 151.3 12.2 -18.9 2.8 43 52 A K - 0 0 157 -2,-0.3 -40,-0.1 1,-0.1 2,-0.0 -0.753 47.1-118.7 -82.2 109.6 14.3 -20.0 5.7 44 53 A I - 0 0 5 -2,-0.9 3,-0.1 1,-0.1 -38,-0.1 -0.274 31.8-175.7 -54.9 126.3 17.7 -18.5 4.7 45 54 A K + 0 0 179 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.693 63.9 3.4 -97.1 -25.0 20.3 -21.3 4.2 46 55 A S > - 0 0 38 1,-0.1 4,-1.4 22,-0.0 -1,-0.2 -0.979 68.2-109.1-156.1 165.9 23.4 -19.1 3.5 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.793 117.1 61.8 -68.6 -27.1 24.6 -15.6 3.2 48 57 A A H 4 S+ 0 0 67 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.924 104.2 47.1 -63.3 -44.6 24.9 -16.1 -0.5 49 58 A E H >4 S+ 0 0 34 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.844 113.8 49.1 -64.7 -34.7 21.1 -16.7 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.4 3,-1.9 1,-0.2 6,-0.2 0.903 100.2 63.5 -71.7 -42.3 20.6 -13.6 1.5 51 60 A K T 3< S+ 0 0 100 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.611 90.3 69.7 -59.5 -13.2 22.9 -11.4 -0.7 52 61 A K T < S+ 0 0 180 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.800 83.1 84.1 -75.6 -28.6 20.5 -11.9 -3.6 53 62 A L S X S- 0 0 29 -3,-1.9 3,-1.4 -4,-0.3 2,-0.3 -0.451 95.5-103.8 -72.8 145.9 17.8 -9.8 -1.8 54 63 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.564 106.7 33.4 -73.4 130.1 18.2 -6.0 -2.3 55 64 A G T 3 S+ 0 0 38 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.130 93.5 100.8 113.0 -20.5 19.6 -4.3 0.8 56 65 A V < + 0 0 9 -3,-1.4 -1,-0.3 -6,-0.2 2,-0.1 -0.895 51.8 175.1-101.1 118.3 21.8 -7.2 1.8 57 66 A G > - 0 0 34 -2,-0.6 4,-1.1 -3,-0.1 -4,-0.1 -0.098 48.1 -74.4-104.1-155.4 25.4 -6.7 0.7 58 67 A T H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.854 125.9 49.7 -73.5 -37.4 28.8 -8.5 1.2 59 68 A K H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 112.6 44.4 -69.2 -47.2 29.2 -7.5 4.9 60 69 A I H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.827 109.9 59.5 -68.0 -28.6 25.7 -8.6 6.0 61 70 A A H X S+ 0 0 8 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.932 105.6 46.9 -64.5 -44.6 26.2 -11.7 4.0 62 71 A E H X S+ 0 0 133 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.930 111.8 50.9 -62.8 -43.4 29.3 -12.6 6.0 63 72 A K H X S+ 0 0 32 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.913 107.9 52.5 -60.2 -43.4 27.5 -11.9 9.2 64 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.846 108.6 50.3 -62.3 -35.2 24.6 -14.1 8.2 65 74 A D H X S+ 0 0 76 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.918 111.8 48.3 -69.4 -40.7 27.0 -17.0 7.5 66 75 A E H X>S+ 0 0 36 -4,-2.3 4,-2.7 1,-0.2 5,-0.7 0.949 112.2 48.8 -63.1 -47.5 28.6 -16.5 10.9 67 76 A F H X5S+ 0 0 45 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.900 110.4 50.6 -58.3 -44.1 25.2 -16.4 12.6 68 77 A L H <5S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.9 41.5 -63.6 -36.6 24.0 -19.6 10.8 69 78 A A H <5S+ 0 0 84 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.978 131.1 19.6 -75.1 -60.0 27.2 -21.4 11.8 70 79 A T H <5S- 0 0 82 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.774 96.2-122.1 -84.1 -28.8 27.7 -20.4 15.4 71 80 A G S < - 0 0 2 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.988 11.9-152.6-125.2 124.6 27.8 -12.9 16.1 74 83 A R H > S+ 0 0 166 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.926 97.7 59.5 -60.1 -45.1 31.1 -12.1 17.7 75 84 A K H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 111.2 41.6 -51.7 -40.0 30.8 -8.4 16.9 76 85 A L H > S+ 0 0 2 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 107.2 61.2 -76.5 -36.6 27.6 -8.3 19.0 77 86 A E H < S+ 0 0 81 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.890 110.5 42.0 -56.0 -40.5 29.0 -10.6 21.7 78 87 A K H >X S+ 0 0 154 -4,-2.3 3,-1.6 2,-0.2 4,-1.6 0.919 109.6 56.5 -72.8 -45.8 31.6 -7.9 22.4 79 88 A I H 3< S+ 0 0 18 -4,-1.7 -2,-0.2 1,-0.3 3,-0.2 0.866 104.4 53.9 -54.5 -39.3 29.3 -5.0 22.1 80 89 A R T 3< S+ 0 0 104 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.654 108.8 50.3 -70.7 -16.5 27.1 -6.5 24.8 81 90 A Q T <4 S+ 0 0 143 -3,-1.6 2,-0.7 -4,-0.3 -1,-0.2 0.719 85.4 95.9 -92.1 -26.3 30.1 -6.7 27.1 82 91 A D X - 0 0 70 -4,-1.6 4,-2.3 -3,-0.2 5,-0.2 -0.559 65.0-156.0 -68.8 109.8 31.2 -3.1 26.5 83 92 A D H > S+ 0 0 125 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.857 90.4 54.0 -57.0 -38.8 29.6 -1.2 29.5 84 93 A T H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.939 110.7 45.3 -63.4 -45.2 29.6 2.1 27.7 85 94 A S H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 114.7 49.2 -65.1 -36.8 27.7 0.7 24.7 86 95 A S H X S+ 0 0 45 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.1 47.8 -68.6 -42.5 25.3 -1.1 27.1 87 96 A S H X S+ 0 0 23 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.934 113.3 47.6 -63.4 -46.6 24.7 2.1 29.1 88 97 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.906 111.7 50.5 -63.0 -41.4 24.1 4.2 26.0 89 98 A N H < S+ 0 0 42 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.930 112.4 47.4 -63.2 -44.3 21.8 1.6 24.6 90 99 A F H >< S+ 0 0 48 -4,-2.4 3,-2.9 1,-0.2 4,-0.3 0.986 110.4 49.1 -60.3 -60.5 19.8 1.4 27.8 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.3 6,-0.2 0.863 102.5 63.3 -48.3 -42.4 19.4 5.2 28.3 92 101 A T T 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.614 87.8 73.4 -60.3 -11.0 18.2 5.6 24.7 93 102 A R T < S+ 0 0 120 -3,-2.9 2,-0.4 -4,-0.3 -1,-0.3 0.617 77.1 90.8 -79.4 -11.1 15.2 3.5 25.6 94 103 A V S X S- 0 0 4 -3,-2.4 3,-2.1 -4,-0.3 2,-0.2 -0.709 92.6-110.6 -84.2 130.6 13.8 6.4 27.6 95 104 A S T 3 S+ 0 0 33 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.429 104.7 24.8 -62.2 128.4 11.6 8.6 25.4 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.200 96.5 102.7 103.5 -18.9 13.3 11.9 24.9 97 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.889 50.4 178.2-102.1 110.7 16.9 10.6 25.4 98 107 A G > - 0 0 29 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.330 48.1 -77.4 -99.2-173.4 18.7 10.2 22.1 99 108 A P H > S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.859 128.6 47.6 -51.5 -42.9 22.3 9.1 21.2 100 109 A S H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.983 114.7 42.5 -66.6 -56.6 23.7 12.5 22.2 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 113.2 55.2 -59.1 -36.4 22.0 12.9 25.5 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.964 109.1 45.4 -61.5 -51.8 22.7 9.3 26.4 103 112 A R H X S+ 0 0 85 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.866 114.2 50.5 -60.0 -36.5 26.4 9.6 25.8 104 113 A K H X S+ 0 0 122 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.907 108.0 51.6 -69.4 -41.7 26.5 12.8 27.8 105 114 A F H <>S+ 0 0 11 -4,-2.7 5,-2.9 1,-0.2 4,-0.2 0.907 109.5 51.0 -61.6 -40.3 24.6 11.3 30.7 106 115 A V H ><5S+ 0 0 13 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.931 105.0 55.3 -62.1 -46.4 27.1 8.5 30.8 107 116 A D H 3<5S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.9 50.1 -54.2 -34.5 30.0 10.9 30.8 108 117 A E T 3<5S- 0 0 84 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.467 123.4-105.9 -83.5 -3.1 28.4 12.4 33.9 109 118 A G T < 5S+ 0 0 41 -3,-2.3 2,-1.1 1,-0.2 -3,-0.2 0.503 79.7 133.2 90.8 2.5 28.0 9.1 35.6 110 119 A I < + 0 0 7 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.770 20.6 133.7 -89.6 99.0 24.3 8.9 34.9 111 120 A K + 0 0 90 -2,-1.1 2,-0.2 -3,-0.1 -20,-0.2 0.565 47.7 52.4-124.6 -15.1 24.0 5.3 33.6 112 121 A T S > S- 0 0 63 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.684 82.1-102.9-123.1 179.1 21.1 3.5 35.2 113 122 A L H > S+ 0 0 46 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.917 123.0 50.1 -63.5 -44.2 17.4 3.7 36.0 114 123 A E H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 108.9 52.5 -60.2 -46.4 18.1 4.6 39.6 115 124 A D H > S+ 0 0 27 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.949 109.9 47.6 -53.8 -53.6 20.6 7.3 38.4 116 125 A L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.905 109.7 53.8 -55.0 -45.2 18.0 8.9 36.2 117 126 A R H >< S+ 0 0 138 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.858 110.2 45.1 -61.3 -37.4 15.3 8.8 38.9 118 127 A K H 3< S+ 0 0 140 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.454 114.1 52.8 -86.7 0.9 17.5 10.6 41.4 119 128 A N T X< + 0 0 30 -3,-1.2 3,-2.6 -4,-0.6 -1,-0.2 -0.043 59.9 134.0-123.9 31.4 18.5 13.1 38.7 120 129 A E G X + 0 0 79 -3,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.832 67.8 68.9 -49.8 -34.3 15.2 14.3 37.4 121 130 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.768 93.5 57.3 -57.0 -27.4 16.5 17.9 37.6 122 131 A K G < S+ 0 0 94 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.3 0.238 94.8 86.4 -90.0 15.7 18.9 17.1 34.8 123 132 A L S < S- 0 0 19 -3,-2.1 -26,-0.0 -4,-0.1 0, 0.0 -0.930 72.2-132.0-119.0 138.9 16.1 16.1 32.4 124 133 A N > - 0 0 89 -2,-0.4 4,-2.0 -28,-0.1 5,-0.1 -0.125 45.8 -87.3 -72.4-177.6 14.0 18.3 30.1 125 134 A H H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.940 125.6 49.2 -59.5 -50.8 10.2 17.8 30.2 126 135 A H H > S+ 0 0 39 93,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 112.2 47.6 -54.9 -50.5 10.0 15.0 27.6 127 136 A Q H > S+ 0 0 15 -31,-0.3 4,-2.6 1,-0.2 5,-0.2 0.895 107.7 58.1 -59.2 -39.8 12.7 12.9 29.2 128 137 A R H X S+ 0 0 113 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 111.4 40.2 -56.4 -47.3 11.0 13.5 32.6 129 138 A I H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.867 111.5 57.6 -72.9 -34.9 7.8 11.9 31.3 130 139 A G H < S+ 0 0 1 -4,-2.6 -35,-0.2 -35,-0.4 -2,-0.2 0.905 111.1 42.9 -60.5 -40.1 9.7 9.2 29.4 131 140 A L H >< S+ 0 0 6 -4,-2.6 3,-1.9 -36,-0.2 4,-0.3 0.929 109.2 58.8 -69.9 -44.9 11.3 8.1 32.7 132 141 A K H 3< S+ 0 0 123 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.918 120.0 27.3 -49.3 -52.1 8.0 8.4 34.5 133 142 A Y T 3X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.017 82.1 130.2-102.0 27.1 6.4 5.9 32.2 134 143 A F T <4 S+ 0 0 24 -3,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.874 76.5 43.7 -47.8 -45.3 9.5 4.0 31.3 135 144 A G T >4 S+ 0 0 41 -4,-0.3 3,-1.7 -3,-0.3 4,-0.4 0.976 113.9 46.8 -66.5 -56.3 7.9 0.7 32.1 136 145 A D G >4 S+ 0 0 37 1,-0.3 3,-2.8 2,-0.2 -2,-0.2 0.898 102.9 63.9 -53.0 -46.5 4.5 1.2 30.5 137 146 A F G 3< S+ 0 0 44 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.632 99.8 53.9 -57.3 -14.9 6.0 2.6 27.2 138 147 A E G < S+ 0 0 102 -3,-1.7 -1,-0.3 -4,-0.4 2,-0.2 0.501 89.7 97.3 -97.1 -3.9 7.7 -0.8 26.5 139 148 A K S < S- 0 0 102 -3,-2.8 2,-0.1 -4,-0.4 -3,-0.0 -0.571 75.4-123.5 -82.7 148.2 4.4 -2.6 26.9 140 149 A R - 0 0 144 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.481 17.1-127.4 -85.3 160.5 2.5 -3.5 23.7 141 150 A I E -A 179 0A 0 38,-2.4 38,-2.6 -2,-0.1 40,-0.1 -0.949 19.9-132.5-114.3 117.9 -1.2 -2.4 23.2 142 151 A P E >> -A 178 0A 53 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.351 21.4-119.2 -64.8 146.8 -3.6 -5.2 22.2 143 152 A R H 3> S+ 0 0 59 34,-2.2 4,-2.6 1,-0.3 5,-0.2 0.877 114.7 62.3 -55.1 -36.5 -5.9 -4.4 19.3 144 153 A E H 3> S+ 0 0 141 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.910 106.1 44.0 -56.1 -43.1 -8.9 -4.8 21.6 145 154 A E H <> S+ 0 0 27 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.863 109.4 56.3 -70.0 -35.2 -7.5 -1.9 23.7 146 155 A M H X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.892 105.8 53.4 -61.3 -38.3 -6.8 0.1 20.6 147 156 A L H X S+ 0 0 82 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 109.2 46.0 -63.8 -44.3 -10.5 -0.3 19.7 148 157 A Q H X S+ 0 0 64 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.897 115.0 48.7 -64.5 -39.9 -11.6 1.1 23.1 149 158 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.915 108.8 53.0 -65.5 -43.8 -9.2 3.9 22.7 150 159 A Q H X S+ 0 0 54 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.936 108.7 51.0 -55.9 -47.7 -10.4 4.6 19.2 151 160 A D H X S+ 0 0 98 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.916 111.0 46.5 -58.8 -46.9 -13.9 4.8 20.4 152 161 A I H X S+ 0 0 38 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.950 114.6 47.5 -61.8 -50.6 -13.1 7.3 23.2 153 162 A V H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.925 114.1 45.9 -59.4 -47.0 -11.0 9.5 20.9 154 163 A L H X S+ 0 0 60 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.938 115.3 45.5 -63.5 -46.5 -13.6 9.6 18.1 155 164 A N H X S+ 0 0 62 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.854 113.7 48.9 -65.6 -36.1 -16.6 10.3 20.3 156 165 A E H X S+ 0 0 17 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.908 112.8 47.8 -70.9 -39.4 -14.8 13.0 22.3 157 166 A V H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.3 3,-0.4 0.911 108.4 55.2 -65.7 -39.4 -13.7 14.6 19.1 158 167 A K H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 104.9 54.6 -61.1 -33.6 -17.2 14.4 17.8 159 168 A K H < S+ 0 0 141 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 106.4 50.6 -70.4 -32.4 -18.4 16.2 20.9 160 169 A V H < S- 0 0 43 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.968 137.1 -14.5 -68.6 -54.7 -16.0 19.1 20.3 161 170 A D >< - 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