==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-JAN-08 3C2L . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,L.C.PEDERSEN,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.2 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 . 28 8.6 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 . 2 0.6 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 . 1 0.3 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 1 2 2 2 0 1 1 1 1 0 2 0 0 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 1 2 0 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 0 171 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 53.9 4.7 -23.7 30.8 2 11 A L T 3 + 0 0 94 38,-0.2 3,-0.2 1,-0.2 36,-0.1 0.869 360.0 34.1 -73.6 -36.4 7.1 -25.9 29.0 3 12 A N T >> S+ 0 0 5 37,-0.2 4,-2.0 34,-0.2 3,-0.6 -0.127 81.1 132.8-109.2 35.0 9.7 -23.1 29.5 4 13 A G H <> + 0 0 16 -3,-0.7 4,-1.7 1,-0.2 5,-0.2 0.842 67.0 55.0 -55.1 -42.6 8.5 -22.0 32.9 5 14 A G H 3> S+ 0 0 35 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 110.5 47.5 -61.3 -35.9 11.8 -21.9 34.7 6 15 A I H <> S+ 0 0 4 -3,-0.6 4,-2.6 1,-0.2 -2,-0.2 0.915 111.2 47.8 -72.3 -45.3 13.2 -19.6 32.0 7 16 A T H X S+ 0 0 22 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.751 109.9 53.3 -71.7 -21.9 10.4 -17.1 31.9 8 17 A D H X S+ 0 0 111 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.904 110.1 49.1 -73.1 -43.6 10.3 -16.9 35.7 9 18 A M H X S+ 0 0 6 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.963 110.5 49.8 -56.8 -53.3 14.0 -16.1 35.6 10 19 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.824 110.2 53.0 -56.0 -33.6 13.4 -13.4 32.9 11 20 A T H X S+ 0 0 66 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.901 106.9 47.8 -72.0 -43.4 10.7 -11.9 35.0 12 21 A E H X S+ 0 0 61 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 111.2 53.4 -63.0 -43.4 12.7 -11.5 38.2 13 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.898 108.4 51.5 -55.8 -40.7 15.4 -9.9 36.0 14 23 A A H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.979 108.0 48.2 -60.3 -61.4 12.7 -7.5 34.7 15 24 A N H X S+ 0 0 66 -4,-2.4 4,-3.6 1,-0.2 5,-0.5 0.895 111.7 53.6 -47.7 -43.0 11.4 -6.4 38.0 16 25 A F H X>S+ 0 0 22 -4,-2.5 4,-2.8 1,-0.2 5,-1.2 0.984 109.4 44.7 -55.4 -63.5 15.1 -5.8 39.0 17 26 A E H <5S+ 0 0 12 -4,-2.5 6,-3.0 1,-0.2 -1,-0.2 0.778 121.2 43.1 -52.7 -29.5 15.9 -3.6 36.0 18 27 A K H <5S+ 0 0 59 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.819 124.1 30.6 -87.4 -36.9 12.6 -1.8 36.6 19 28 A N H <5S+ 0 0 12 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.895 135.3 20.6 -90.3 -44.6 12.6 -1.4 40.4 20 29 A V T <5S+ 0 0 12 -4,-2.8 -3,-0.2 -5,-0.5 -4,-0.1 0.958 129.9 38.3 -88.7 -62.6 16.3 -1.2 41.2 21 30 A S S > - 0 0 31 -6,-3.0 4,-1.8 1,-0.1 3,-0.7 -0.875 31.8-176.4-111.3 92.7 15.9 1.2 33.4 24 33 A I H 3> S+ 0 0 81 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.691 78.8 57.1 -65.0 -20.4 12.4 0.8 32.0 25 34 A H H 3> S+ 0 0 145 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.768 104.6 48.1 -85.9 -24.2 13.6 -0.4 28.7 26 35 A K H <> S+ 0 0 120 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.897 111.6 53.6 -77.0 -40.4 15.6 -3.3 30.0 27 36 A Y H X S+ 0 0 37 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.972 111.9 43.2 -53.9 -57.2 12.5 -4.2 32.0 28 37 A N H X S+ 0 0 39 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.933 111.7 56.3 -53.6 -48.5 10.5 -4.1 28.8 29 38 A A H X S+ 0 0 51 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.894 113.3 38.1 -50.4 -49.8 13.2 -6.0 27.0 30 39 A Y H X S+ 0 0 25 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.912 114.7 55.5 -68.6 -42.5 13.2 -8.9 29.5 31 40 A R H X S+ 0 0 65 -4,-3.1 4,-1.7 -5,-0.3 -2,-0.2 0.904 111.9 44.4 -55.3 -42.8 9.4 -8.7 29.8 32 41 A K H X S+ 0 0 97 -4,-3.4 4,-2.1 -5,-0.2 -2,-0.2 0.978 110.1 52.5 -67.5 -57.3 9.2 -9.1 26.0 33 42 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 22,-0.3 5,-0.2 0.870 109.5 52.2 -47.1 -41.8 11.8 -11.9 25.8 34 43 A A H X S+ 0 0 7 -4,-2.6 4,-3.6 1,-0.2 -1,-0.2 0.943 106.9 50.2 -62.9 -48.8 9.8 -13.8 28.4 35 44 A S H < S+ 0 0 13 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.5 51.8 -58.2 -35.4 6.4 -13.5 26.6 36 45 A V H >< S+ 0 0 28 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.933 115.8 38.9 -67.8 -47.4 8.1 -14.8 23.4 37 46 A I H >< S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.902 109.2 61.3 -68.8 -43.5 9.5 -17.9 25.1 38 47 A A T 3< S+ 0 0 65 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.409 110.4 43.9 -65.0 5.6 6.4 -18.4 27.2 39 48 A K T < S+ 0 0 118 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.352 83.7 112.5-128.5 -1.2 4.7 -18.8 23.9 40 49 A Y < - 0 0 42 -3,-2.0 -38,-0.2 -4,-0.2 -37,-0.2 -0.601 63.0-142.8 -73.9 133.7 7.2 -21.1 22.1 41 50 A P S S+ 0 0 94 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.491 74.9 64.8 -78.6 -5.7 5.6 -24.5 21.6 42 51 A H S S- 0 0 113 -39,-0.0 2,-0.7 -40,-0.0 -40,-0.1 -0.622 91.1-100.2-111.8 173.9 8.7 -26.6 22.3 43 52 A K - 0 0 114 -2,-0.2 2,-0.3 -41,-0.1 -40,-0.1 -0.869 41.9-119.9 -98.1 113.9 10.9 -27.1 25.3 44 53 A I + 0 0 3 -2,-0.7 3,-0.1 1,-0.2 -38,-0.0 -0.328 32.0 179.5 -56.9 114.1 14.0 -24.9 25.0 45 54 A K + 0 0 173 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.439 65.5 6.1 -97.3 -2.4 17.0 -27.2 25.1 46 55 A S S > S- 0 0 37 1,-0.1 4,-1.5 22,-0.0 -1,-0.1 -0.980 71.7-107.4-168.6 166.7 19.6 -24.4 24.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 15,-0.1 0.774 117.6 58.7 -74.2 -25.4 20.1 -20.7 24.6 48 57 A A H > S+ 0 0 63 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.874 101.7 53.1 -70.7 -37.3 20.8 -20.9 20.9 49 58 A E H >4 S+ 0 0 36 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.956 113.9 43.7 -60.8 -46.6 17.4 -22.5 20.3 50 59 A A H >< S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.797 102.0 68.7 -67.3 -30.2 15.9 -19.5 22.2 51 60 A K H 3< S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.663 86.1 69.4 -64.8 -15.7 18.2 -17.1 20.3 52 61 A K T << S+ 0 0 166 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.890 85.1 85.8 -69.0 -37.6 16.2 -17.8 17.1 53 62 A L S X S- 0 0 33 -3,-1.0 3,-1.3 -4,-0.4 2,-0.6 -0.283 90.4-107.3 -67.3 147.6 13.2 -15.9 18.5 54 63 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.649 107.4 32.7 -78.5 113.4 12.8 -12.1 18.2 55 64 A G T 3 S+ 0 0 33 -2,-0.6 2,-0.7 -4,-0.1 -22,-0.3 0.166 95.5 95.5 124.6 -16.2 13.4 -10.6 21.6 56 65 A V < + 0 0 4 -3,-1.3 -1,-0.1 -6,-0.2 2,-0.1 -0.905 54.2 169.0-109.6 103.7 15.9 -13.1 22.8 57 66 A G > - 0 0 35 -2,-0.7 4,-1.7 -3,-0.1 5,-0.2 -0.137 50.1 -67.6 -98.6-162.8 19.4 -11.7 22.1 58 67 A T H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 126.1 49.5 -55.9 -52.3 22.9 -12.7 23.1 59 68 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 112.8 47.1 -59.4 -43.1 22.7 -12.0 26.9 60 69 A I H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.840 111.4 50.1 -70.9 -28.9 19.5 -13.9 27.4 61 70 A A H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.898 112.7 49.4 -71.3 -38.5 20.7 -16.9 25.4 62 71 A E H X S+ 0 0 123 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.898 113.7 44.3 -65.1 -43.4 23.8 -16.8 27.6 63 72 A K H X S+ 0 0 29 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.919 112.2 53.2 -69.2 -40.2 21.7 -16.5 30.7 64 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.902 105.3 55.0 -60.3 -40.3 19.5 -19.3 29.3 65 74 A D H X S+ 0 0 79 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.893 111.3 44.3 -61.4 -38.4 22.6 -21.5 28.8 66 75 A E H X>S+ 0 0 28 -4,-1.6 4,-0.8 2,-0.2 5,-0.6 0.990 112.6 49.8 -68.7 -58.4 23.5 -21.1 32.5 67 76 A F H <5S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.3 45.2 -46.6 -44.3 20.0 -21.6 33.8 68 77 A L H <5S+ 0 0 62 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.991 124.2 34.7 -63.7 -57.1 19.8 -24.7 31.7 69 78 A A H <5S+ 0 0 81 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.975 131.7 24.0 -59.2 -86.2 23.3 -25.9 32.7 70 79 A T T <5S- 0 0 84 -4,-0.8 -3,-0.2 -5,-0.2 3,-0.1 0.945 96.6-127.7 -45.5 -67.4 23.7 -24.8 36.3 71 80 A G S - 0 0 6 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 -0.960 12.4-154.5-116.0 126.9 21.5 -17.7 37.7 74 83 A R H > S+ 0 0 159 -2,-0.5 4,-2.3 1,-0.2 3,-0.4 0.940 97.7 56.3 -58.6 -50.5 24.6 -16.3 39.5 75 84 A K H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.766 109.2 47.6 -53.4 -30.3 23.5 -12.7 38.7 76 85 A L H > S+ 0 0 7 -3,-0.4 4,-3.5 2,-0.2 -1,-0.2 0.812 105.7 55.9 -82.8 -32.8 20.2 -13.4 40.4 77 86 A E H X S+ 0 0 53 -4,-1.7 4,-2.1 -3,-0.4 -2,-0.2 0.957 108.9 50.2 -61.1 -46.7 21.7 -15.0 43.6 78 87 A K H X S+ 0 0 139 -4,-2.3 4,-3.0 2,-0.2 3,-0.2 0.937 113.3 44.2 -54.6 -51.7 23.7 -11.8 43.9 79 88 A I H < S+ 0 0 13 -4,-1.5 7,-0.2 1,-0.2 -2,-0.2 0.983 111.5 53.2 -56.6 -59.9 20.5 -9.7 43.5 80 89 A R H < S+ 0 0 136 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.770 117.7 39.4 -44.7 -34.5 18.6 -11.9 45.9 81 90 A Q H < S+ 0 0 140 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.939 86.2 97.4 -84.4 -55.8 21.3 -11.5 48.5 82 91 A D X - 0 0 80 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 -0.104 67.8-144.8 -39.4 114.7 22.4 -7.8 48.2 83 92 A D H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.915 92.2 45.7 -53.1 -53.1 20.4 -6.1 51.0 84 93 A T H > S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 3,-0.4 0.958 115.3 44.3 -57.9 -56.3 19.8 -2.8 49.3 85 94 A S H > S+ 0 0 14 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.883 116.4 50.7 -54.9 -39.0 18.7 -4.2 45.9 86 95 A S H X S+ 0 0 51 -4,-2.2 4,-1.2 -7,-0.2 -1,-0.3 0.807 111.8 46.5 -69.6 -33.1 16.6 -6.7 47.9 87 96 A S H X S+ 0 0 9 -4,-2.2 4,-2.3 -3,-0.4 -2,-0.2 0.922 110.5 48.5 -78.6 -47.0 15.0 -3.9 50.0 88 97 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.941 110.1 57.0 -57.0 -42.8 14.1 -1.5 47.2 89 98 A N H < S+ 0 0 38 -4,-1.8 4,-0.3 -5,-0.4 -1,-0.2 0.896 107.6 46.8 -53.7 -44.2 12.7 -4.5 45.6 90 99 A F H >< S+ 0 0 46 -4,-1.2 3,-2.5 1,-0.2 -2,-0.2 0.976 107.3 53.8 -66.3 -54.7 10.4 -5.2 48.5 91 100 A L H >< S+ 0 0 0 -4,-2.3 3,-3.0 1,-0.3 6,-0.2 0.873 96.7 65.5 -45.6 -49.2 9.1 -1.7 49.0 92 101 A T T 3< S+ 0 0 23 -4,-2.0 -1,-0.3 1,-0.3 5,-0.2 0.683 85.5 74.5 -52.4 -17.2 7.9 -1.3 45.5 93 102 A R T < S+ 0 0 121 -3,-2.5 2,-0.5 -4,-0.3 -1,-0.3 0.526 79.9 88.9 -73.9 -3.7 5.4 -4.1 46.2 94 103 A V S X S- 0 0 2 -3,-3.0 3,-1.8 3,-0.2 2,-0.5 -0.820 92.0-115.3 -94.1 132.4 3.5 -1.4 48.2 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.571 102.8 30.0 -72.0 118.9 1.1 0.5 46.0 96 105 A G T 3 S+ 0 0 30 -2,-0.5 2,-0.7 -4,-0.2 -1,-0.3 0.195 97.8 99.1 116.7 -11.2 2.1 4.1 45.8 97 106 A I < + 0 0 7 -3,-1.8 -3,-0.2 -5,-0.2 -1,-0.2 -0.918 47.9 171.8-113.3 109.1 5.8 3.3 46.1 98 107 A G > - 0 0 32 -2,-0.7 4,-2.7 -3,-0.1 5,-0.3 -0.311 52.3 -72.9-101.6-170.5 7.7 3.2 42.9 99 108 A P H > S+ 0 0 26 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.954 128.2 45.9 -46.2 -71.6 11.5 3.0 42.2 100 109 A S H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 115.7 44.8 -40.8 -56.7 12.4 6.6 43.2 101 110 A A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.961 115.2 47.7 -58.4 -51.5 10.4 6.6 46.5 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.927 111.0 51.6 -56.4 -44.2 11.6 3.1 47.5 103 112 A R H X S+ 0 0 74 -4,-3.2 4,-1.8 -5,-0.3 -1,-0.2 0.882 110.2 50.5 -60.6 -36.0 15.2 4.1 46.7 104 113 A K H X S+ 0 0 125 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.988 109.7 47.7 -65.6 -58.5 14.8 7.2 48.9 105 114 A F H ><>S+ 0 0 14 -4,-2.5 3,-2.3 1,-0.2 5,-2.0 0.925 111.3 50.8 -45.7 -56.9 13.3 5.3 52.0 106 115 A V H ><5S+ 0 0 13 -4,-2.2 3,-2.4 1,-0.3 -1,-0.2 0.913 105.9 55.9 -50.0 -47.0 16.0 2.7 51.9 107 116 A D H 3<5S+ 0 0 110 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.672 109.9 47.1 -61.1 -16.2 18.7 5.4 51.7 108 117 A E T <<5S- 0 0 104 -3,-2.3 -1,-0.3 -4,-0.8 -2,-0.2 0.043 127.0-100.7-111.3 21.6 17.2 6.8 54.9 109 118 A G T < 5S+ 0 0 44 -3,-2.4 2,-0.8 1,-0.2 -3,-0.2 0.348 83.6 127.8 80.2 -8.2 17.1 3.3 56.6 110 119 A I < + 0 0 5 -5,-2.0 -2,-0.2 -6,-0.2 -1,-0.2 -0.759 20.2 139.1 -83.3 111.9 13.4 2.6 56.0 111 120 A K + 0 0 62 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.238 47.9 51.4-141.1 17.2 13.3 -0.8 54.3 112 121 A T S >> S- 0 0 50 1,-0.1 4,-2.3 -22,-0.1 3,-0.9 -0.992 84.3 -98.8-154.5 160.6 10.5 -3.0 55.7 113 122 A L H 3> S+ 0 0 33 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.846 123.7 52.4 -45.3 -42.6 6.7 -3.1 56.4 114 123 A E H 3> S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.885 107.3 51.9 -63.9 -39.7 7.5 -2.3 60.0 115 124 A D H <> S+ 0 0 40 -3,-0.9 4,-3.8 2,-0.3 -2,-0.2 0.933 109.3 47.6 -63.6 -46.0 9.6 0.7 59.0 116 125 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.856 111.0 55.8 -61.5 -31.3 6.8 2.1 56.8 117 126 A R H >< S+ 0 0 129 -4,-1.7 3,-0.5 -5,-0.4 -2,-0.3 0.867 112.3 40.3 -66.2 -39.3 4.7 1.4 59.9 118 127 A K H 3< S+ 0 0 160 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.926 122.0 40.2 -75.9 -46.5 7.0 3.5 62.0 119 128 A N T >< S+ 0 0 37 -4,-3.8 3,-2.0 1,-0.2 -1,-0.2 0.041 75.2 131.8 -93.5 29.4 7.5 6.3 59.5 120 129 A E G X + 0 0 89 -3,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.825 63.3 65.0 -47.8 -40.5 3.9 6.2 58.4 121 130 A D G 3 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.313 93.7 64.8 -71.4 14.7 3.5 10.0 58.7 122 131 A K G < S+ 0 0 99 -3,-2.0 2,-0.4 -6,-0.2 -1,-0.3 0.031 87.8 87.3-122.0 21.6 6.1 10.2 55.8 123 132 A L S < S- 0 0 12 -3,-1.6 2,-0.0 -7,-0.1 -27,-0.0 -0.934 76.1-119.0-123.3 145.5 3.8 8.6 53.2 124 133 A N > - 0 0 82 -2,-0.4 4,-2.3 -28,-0.1 3,-0.4 -0.309 41.1 -94.1 -76.9 166.8 1.2 10.1 50.9 125 134 A H H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.874 127.2 51.0 -46.8 -44.1 -2.4 9.1 51.1 126 135 A H H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 108.9 49.2 -64.7 -42.7 -1.9 6.6 48.4 127 136 A Q H > S+ 0 0 12 -3,-0.4 4,-2.5 -31,-0.2 -1,-0.2 0.858 108.8 54.1 -66.9 -34.8 1.1 5.0 50.1 128 137 A R H X S+ 0 0 97 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.984 111.0 44.5 -61.0 -57.3 -0.8 4.7 53.4 129 138 A I H X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.892 111.3 56.7 -51.2 -42.8 -3.6 2.9 51.7 130 139 A G H < S+ 0 0 1 -4,-2.3 3,-0.3 -35,-0.4 -35,-0.2 0.930 111.1 40.6 -54.4 -52.0 -1.0 0.8 49.9 131 140 A L H >< S+ 0 0 8 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.875 111.0 59.4 -63.8 -43.0 0.6 -0.3 53.2 132 141 A K H 3< S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.798 117.7 29.7 -56.5 -37.1 -2.9 -0.8 54.8 133 142 A Y T 3X S+ 0 0 13 -4,-1.9 4,-3.2 -3,-0.3 -1,-0.3 -0.109 82.1 129.0-115.8 34.0 -3.9 -3.3 52.2 134 143 A F H <> S+ 0 0 23 -3,-1.6 4,-0.8 1,-0.2 -1,-0.1 0.956 79.9 36.2 -54.9 -56.1 -0.5 -4.7 51.5 135 144 A G H >> S+ 0 0 42 -4,-0.3 3,-1.1 1,-0.2 4,-0.5 0.947 116.8 53.9 -62.6 -48.7 -1.5 -8.4 51.9 136 145 A D H >4 S+ 0 0 40 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.926 105.9 52.8 -50.6 -52.1 -4.9 -7.9 50.4 137 146 A F H 3< S+ 0 0 39 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.667 103.8 55.9 -61.1 -20.8 -3.5 -6.3 47.2 138 147 A E H << S+ 0 0 98 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.528 87.9 98.7 -91.0 -2.8 -1.1 -9.2 46.6 139 148 A K S << S- 0 0 111 -3,-1.8 2,-0.0 -4,-0.5 -3,-0.0 -0.657 74.9-128.0 -84.6 135.9 -4.0 -11.7 46.6 140 149 A R - 0 0 132 -2,-0.3 40,-0.2 1,-0.1 -2,-0.1 -0.333 24.8-118.5 -72.2 163.7 -5.4 -12.9 43.3 141 150 A I E -A 179 0A 1 38,-1.0 38,-1.0 40,-0.1 40,-0.1 -0.932 21.9-119.6-111.2 122.8 -9.2 -12.6 42.9 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.357 23.8-124.6 -58.0 133.4 -11.2 -15.8 42.3 143 152 A R H 3> S+ 0 0 65 34,-3.4 4,-1.8 1,-0.3 35,-0.1 0.748 111.0 59.7 -52.7 -23.0 -13.0 -15.4 38.9 144 153 A E H 3> S+ 0 0 134 33,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.938 102.3 48.0 -70.5 -48.8 -16.2 -16.1 40.8 145 154 A E H <> S+ 0 0 32 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.852 106.9 59.2 -60.8 -33.6 -15.9 -13.1 43.2 146 155 A M H >X S+ 0 0 0 -4,-1.8 4,-3.9 1,-0.2 3,-1.4 0.982 102.4 53.1 -56.4 -55.6 -15.1 -11.0 40.1 147 156 A L H 3X S+ 0 0 72 -4,-1.8 4,-0.6 1,-0.3 -1,-0.2 0.878 107.3 50.6 -45.8 -46.3 -18.5 -12.0 38.8 148 157 A Q H 3X S+ 0 0 73 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.795 115.0 44.0 -65.4 -27.2 -20.1 -10.9 42.0 149 158 A M H X S+ 0 0 58 -4,-2.1 4,-1.4 2,-0.2 3,-0.9 0.995 110.5 46.4 -67.4 -65.8 -25.9 -2.9 38.6 156 165 A E H 3< S+ 0 0 8 -4,-2.1 4,-0.4 1,-0.3 -1,-0.2 0.777 107.6 61.1 -48.8 -31.1 -25.2 0.2 40.6 157 166 A V H >X S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 4,-1.6 0.950 100.8 53.0 -62.2 -49.0 -24.2 1.9 37.3 158 167 A K H << S+ 0 0 129 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.898 99.4 63.8 -50.8 -47.0 -27.8 1.4 36.0 159 168 A K T 3< S+ 0 0 124 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.600 104.3 46.4 -56.9 -14.1 -29.2 3.0 39.1 160 169 A V T <4 S- 0 0 36 -3,-2.0 2,-0.2 -4,-0.4 -1,-0.2 0.814 139.1 -20.8 -95.0 -40.3 -27.5 6.3 38.2 161 170 A D >< - 0 0 58 -4,-1.6 3,-1.5 -3,-0.1 -1,-0.3 -0.799 51.5-137.6-170.9 125.8 -28.6 6.2 34.6 162 171 A S T 3 S+ 0 0 85 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.401 99.3 70.0 -68.0 2.9 -29.8 3.3 32.5 163 172 A E T 3 S+ 0 0 100 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.630 71.5 106.3 -95.9 -13.5 -27.7 4.7 29.6 164 173 A Y < - 0 0 20 -3,-1.5 2,-0.5 -7,-0.2 24,-0.2 -0.393 55.8-157.2 -63.9 136.4 -24.3 3.9 31.1 165 174 A I - 0 0 70 22,-1.6 2,-0.7 -2,-0.1 22,-0.1 -0.730 12.5-175.3-118.1 81.0 -22.5 1.0 29.5 166 175 A A - 0 0 13 -2,-0.5 2,-0.6 20,-0.2 20,-0.2 -0.689 3.7-173.5 -81.4 113.9 -20.0 -0.3 32.2 167 176 A T E -B 185 0B 27 18,-2.8 18,-2.4 -2,-0.7 2,-0.2 -0.924 18.1-139.4-113.1 112.3 -17.9 -3.1 30.6 168 177 A V E +B 184 0B 5 -2,-0.6 16,-0.2 16,-0.2 2,-0.1 -0.475 37.0 162.0 -66.4 133.3 -15.5 -5.0 32.9 169 178 A C E > +B 183 0B 1 14,-3.4 3,-0.9 -2,-0.2 14,-0.6 -0.333 19.8 84.1-129.3-147.7 -12.2 -5.6 31.1 170 179 A G G >> S- 0 0 6 93,-1.1 4,-1.5 1,-0.2 3,-1.2 -0.292 109.5 -27.5 76.0-167.4 -8.6 -6.6 31.7 171 180 A S G 34 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.2 7,-0.1 0.672 137.1 67.9 -56.2 -13.6 -7.5 -10.2 32.0 172 181 A F G X4 S+ 0 0 9 -3,-0.9 3,-1.9 1,-0.2 4,-0.5 0.934 98.8 45.5 -71.6 -46.4 -11.0 -10.7 33.3 173 182 A R T <4 S+ 0 0 68 -3,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.832 104.4 64.7 -63.9 -29.1 -12.6 -10.0 29.9 174 183 A R T 3< S- 0 0 34 -4,-1.5 -1,-0.3 90,-0.2 -2,-0.2 0.395 124.5-109.2 -73.5 7.3 -9.9 -12.3 28.5 175 184 A G < + 0 0 47 -3,-1.9 2,-0.4 -5,-0.2 -3,-0.2 0.980 55.4 172.8 60.9 83.2 -11.7 -14.9 30.6 176 185 A A - 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