==== 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 3JPN . 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) . 17337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.7 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 . 15 4.6 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 . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 1 1 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 0 182 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 0.1 9.7 -15.2 12.7 2 11 A L T 3 + 0 0 89 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.862 360.0 17.0 -62.7 -37.9 10.9 -17.5 9.8 3 12 A N T 3> S+ 0 0 15 35,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.241 87.5 138.5-126.8 40.4 14.3 -15.7 9.9 4 13 A G H <> + 0 0 19 -3,-1.0 4,-2.7 1,-0.2 5,-0.3 0.862 65.6 57.9 -55.4 -42.2 13.9 -14.2 13.3 5 14 A G H > S+ 0 0 34 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.968 111.8 40.5 -54.4 -56.4 17.4 -14.9 14.5 6 15 A I H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.921 115.7 48.4 -60.3 -48.4 19.0 -13.0 11.6 7 16 A T H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.890 110.8 52.3 -63.8 -35.8 16.5 -10.1 11.6 8 17 A D H X S+ 0 0 110 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.930 109.7 49.6 -62.6 -44.8 17.0 -9.7 15.4 9 18 A M H X S+ 0 0 7 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.925 111.1 49.0 -59.9 -45.3 20.8 -9.6 14.9 10 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.897 110.2 51.0 -62.8 -39.2 20.4 -7.0 12.2 11 20 A T H X S+ 0 0 62 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.912 108.8 50.9 -65.9 -40.3 18.2 -4.9 14.3 12 21 A E H X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 112.3 47.5 -62.4 -40.9 20.6 -5.0 17.2 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.887 110.9 51.6 -66.5 -39.6 23.3 -3.9 14.8 14 23 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.944 109.6 49.3 -62.3 -47.6 21.1 -1.1 13.5 15 24 A N H X S+ 0 0 65 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.873 109.6 52.4 -60.5 -37.3 20.4 0.1 17.0 16 25 A F H X>S+ 0 0 24 -4,-2.0 5,-2.0 2,-0.2 4,-1.7 0.929 109.4 47.7 -64.3 -46.7 24.1 0.1 17.9 17 26 A E H <>S+ 0 0 10 -4,-2.2 6,-3.1 3,-0.2 5,-0.6 0.901 118.5 42.1 -61.6 -40.8 25.1 2.2 14.8 18 27 A K H <5S+ 0 0 67 -4,-2.2 -2,-0.2 4,-0.3 -1,-0.2 0.962 125.7 30.1 -70.3 -54.9 22.3 4.7 15.6 19 28 A N H <5S+ 0 0 15 -4,-3.0 -3,-0.2 -5,-0.2 84,-0.2 0.954 135.1 20.8 -73.2 -53.4 22.7 5.0 19.4 20 29 A V T <5S+ 0 0 12 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.952 132.7 34.0 -83.7 -57.4 26.4 4.3 20.0 21 30 A S T > - 0 0 30 -6,-3.1 4,-2.1 1,-0.1 3,-0.9 -0.768 26.3-179.5-118.5 81.1 26.0 6.5 12.1 24 33 A I H 3> S+ 0 0 77 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.807 77.3 54.1 -52.2 -40.6 22.5 7.0 10.7 25 34 A H H 3> S+ 0 0 157 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.820 110.4 46.6 -68.8 -30.2 23.1 5.5 7.2 26 35 A K H <> S+ 0 0 121 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.869 109.7 55.9 -75.7 -36.6 24.5 2.3 8.7 27 36 A Y H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.955 111.8 42.4 -56.8 -51.1 21.5 2.3 11.0 28 37 A N H X S+ 0 0 35 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.812 109.6 56.9 -67.9 -31.6 19.2 2.4 7.9 29 38 A A H X S+ 0 0 51 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.935 110.7 44.4 -65.8 -43.8 21.3 -0.1 5.9 30 39 A Y H X S+ 0 0 24 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.909 113.6 50.8 -65.6 -41.1 20.8 -2.6 8.7 31 40 A R H X S+ 0 0 41 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.915 110.6 48.8 -62.5 -43.5 17.1 -1.8 9.1 32 41 A K H X S+ 0 0 93 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.921 112.1 48.1 -62.3 -44.9 16.5 -2.2 5.3 33 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 22,-0.3 -1,-0.2 0.907 113.0 48.5 -61.8 -43.6 18.4 -5.6 5.3 34 43 A A H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.941 113.8 47.7 -60.8 -47.4 16.3 -6.7 8.3 35 44 A S H X S+ 0 0 11 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.940 111.9 47.7 -59.1 -51.0 13.2 -5.5 6.6 36 45 A V H < S+ 0 0 23 -4,-3.3 4,-0.4 1,-0.2 -1,-0.2 0.855 115.6 46.5 -60.2 -35.9 13.9 -7.2 3.2 37 46 A I H >< S+ 0 0 0 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.855 104.9 58.1 -76.4 -36.9 14.8 -10.4 5.0 38 47 A A H 3< S+ 0 0 69 -4,-2.5 -36,-0.2 1,-0.3 -1,-0.2 0.757 108.3 49.0 -64.7 -23.8 11.8 -10.5 7.3 39 48 A K T 3< S+ 0 0 130 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.596 83.7 111.5 -90.2 -14.8 9.6 -10.4 4.2 40 49 A Y < - 0 0 44 -3,-0.8 4,-0.1 -4,-0.4 -38,-0.1 -0.478 63.2-146.7 -65.3 120.3 11.6 -13.3 2.5 41 50 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.164 72.6 74.5 -76.5 18.5 9.2 -16.4 2.4 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.9 0, 0.0 -2,-0.1 -0.963 88.0-110.7-132.3 149.7 12.1 -18.9 2.8 43 52 A K - 0 0 153 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.702 47.6-120.4 -78.7 106.2 14.2 -19.9 5.8 44 53 A I - 0 0 7 -2,-0.9 3,-0.1 1,-0.1 -38,-0.1 -0.216 31.9-176.9 -52.2 133.0 17.6 -18.5 4.8 45 54 A K + 0 0 176 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.622 62.5 10.6-107.3 -21.5 20.3 -21.1 4.5 46 55 A S > - 0 0 38 1,-0.1 4,-1.8 22,-0.0 -1,-0.3 -0.995 66.6-115.4-156.4 158.2 23.3 -19.0 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.860 118.0 59.7 -61.4 -32.7 24.6 -15.5 3.5 48 57 A A H > S+ 0 0 67 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.920 103.2 48.9 -60.4 -46.1 25.0 -16.1 -0.2 49 58 A E H >4 S+ 0 0 36 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.891 113.9 48.7 -60.1 -39.2 21.2 -16.8 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 6,-0.2 0.844 99.0 63.6 -70.7 -37.1 20.7 -13.6 1.5 51 60 A K H 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.679 89.5 72.1 -63.6 -15.8 23.0 -11.4 -0.6 52 61 A K T << S+ 0 0 176 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.829 82.6 84.5 -67.1 -31.9 20.6 -12.0 -3.5 53 62 A L S X S- 0 0 26 -3,-1.7 3,-1.7 -4,-0.3 2,-0.4 -0.495 94.5-108.1 -73.3 139.4 18.1 -9.8 -1.8 54 63 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.532 106.6 35.4 -70.3 124.1 18.4 -6.0 -2.5 55 64 A G T 3 S+ 0 0 36 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.086 95.4 96.8 118.9 -21.6 19.8 -4.3 0.6 56 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.906 52.7 171.2-102.8 122.7 22.0 -7.2 1.7 57 66 A G > - 0 0 31 -2,-0.6 4,-1.7 -3,-0.1 5,-0.1 -0.311 49.8 -69.9-113.8-160.7 25.6 -6.8 0.6 58 67 A T H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 125.8 50.4 -60.3 -49.5 28.9 -8.5 1.2 59 68 A K H > S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 114.1 42.0 -57.7 -48.7 29.3 -7.4 4.9 60 69 A I H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.821 110.4 60.0 -70.5 -29.7 25.9 -8.5 6.0 61 70 A A H X S+ 0 0 10 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.958 105.8 46.6 -61.5 -51.2 26.3 -11.7 4.0 62 71 A E H X S+ 0 0 118 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 110.4 53.0 -56.8 -45.8 29.3 -12.7 6.0 63 72 A K H X S+ 0 0 33 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.861 107.0 53.1 -60.0 -35.6 27.6 -11.9 9.3 64 73 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.864 106.9 51.2 -69.1 -36.4 24.7 -14.1 8.3 65 74 A D H X S+ 0 0 74 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.942 111.5 48.3 -65.7 -44.3 27.0 -17.1 7.6 66 75 A E H X>S+ 0 0 41 -4,-2.3 4,-3.2 1,-0.2 5,-0.6 0.960 113.8 46.3 -59.1 -50.8 28.6 -16.6 11.1 67 76 A F H X5S+ 0 0 45 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 113.2 49.3 -58.5 -42.6 25.2 -16.4 12.7 68 77 A L H <5S+ 0 0 70 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.867 115.8 44.7 -64.7 -35.2 24.0 -19.5 10.8 69 78 A A H <5S+ 0 0 85 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.939 131.8 15.4 -75.0 -49.2 27.2 -21.3 11.8 70 79 A T H <5S- 0 0 87 -4,-3.2 -3,-0.2 2,-0.4 -2,-0.2 0.670 94.4-118.2-102.7 -19.9 27.4 -20.4 15.5 71 80 A G S < - 0 0 3 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.992 10.2-151.0-131.7 123.2 27.8 -12.9 16.2 74 83 A R H > S+ 0 0 146 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.858 97.5 61.4 -60.3 -36.5 31.0 -12.1 18.0 75 84 A K H > S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 110.8 39.5 -56.5 -44.8 30.8 -8.4 17.0 76 85 A L H > S+ 0 0 3 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.887 109.7 60.7 -71.7 -40.0 27.5 -8.1 19.0 77 86 A E H X S+ 0 0 74 -4,-2.4 4,-1.2 1,-0.3 -2,-0.2 0.920 109.3 43.0 -51.8 -46.9 28.9 -10.4 21.8 78 87 A K H X S+ 0 0 142 -4,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.785 110.4 56.3 -72.0 -28.2 31.6 -7.8 22.4 79 88 A I H < S+ 0 0 19 -4,-1.2 3,-0.5 -5,-0.2 -2,-0.2 0.911 106.5 49.7 -70.4 -39.7 29.2 -4.9 22.1 80 89 A R H < S+ 0 0 105 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 109.2 52.4 -66.3 -32.3 27.0 -6.4 24.9 81 90 A Q H < S+ 0 0 137 -4,-1.2 2,-0.5 -5,-0.2 -1,-0.2 0.692 88.9 97.0 -76.2 -20.4 30.1 -6.8 27.1 82 91 A D X - 0 0 69 -4,-0.9 4,-2.3 -3,-0.5 5,-0.1 -0.610 62.4-158.4 -75.5 118.6 31.0 -3.1 26.5 83 92 A D H > S+ 0 0 121 -2,-0.5 4,-3.0 2,-0.2 5,-0.3 0.931 88.8 48.8 -63.4 -50.2 29.8 -1.0 29.4 84 93 A T H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.949 115.3 45.0 -56.7 -49.6 29.7 2.4 27.7 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 113.5 51.1 -61.0 -40.7 27.8 0.9 24.7 86 95 A S H X S+ 0 0 45 -4,-2.3 4,-2.3 -7,-0.2 -2,-0.2 0.926 112.5 45.3 -62.8 -46.8 25.5 -0.9 27.0 87 96 A S H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.900 112.4 50.7 -64.8 -43.0 24.7 2.2 29.0 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.919 111.2 48.5 -62.6 -43.2 24.2 4.4 26.0 89 98 A N H < S+ 0 0 40 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.925 112.0 49.7 -63.5 -43.7 21.8 1.9 24.4 90 99 A F H >< S+ 0 0 52 -4,-2.3 3,-2.1 1,-0.2 4,-0.2 0.969 109.5 50.2 -58.7 -55.2 19.8 1.6 27.6 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.804 100.4 62.6 -55.5 -34.5 19.5 5.3 28.1 92 101 A T T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.615 87.7 75.7 -68.7 -8.6 18.2 5.9 24.5 93 102 A R T < S+ 0 0 123 -3,-2.1 2,-0.5 -4,-0.4 -1,-0.3 0.627 76.6 88.9 -76.7 -12.6 15.3 3.8 25.5 94 103 A V S X S- 0 0 2 -3,-1.9 3,-2.2 -4,-0.2 2,-0.2 -0.740 93.7-111.6 -85.8 130.4 13.9 6.7 27.4 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.445 105.2 26.4 -63.4 125.5 11.7 8.9 25.2 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.191 97.4 101.8 106.1 -17.5 13.5 12.2 24.8 97 106 A I < + 0 0 6 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.905 50.4 175.5-103.1 114.9 17.0 10.8 25.3 98 107 A G > - 0 0 28 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.353 49.9 -76.4-104.6-170.4 18.8 10.3 22.0 99 108 A P H > S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.878 129.4 46.4 -54.5 -42.6 22.3 9.2 21.1 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.967 115.2 42.7 -68.0 -54.0 23.8 12.6 22.0 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.871 113.7 54.1 -61.5 -36.7 22.0 13.1 25.4 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.939 110.6 44.3 -63.9 -47.0 22.7 9.4 26.3 103 112 A R H X S+ 0 0 87 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.874 114.4 51.0 -65.6 -35.9 26.4 9.7 25.7 104 113 A K H X S+ 0 0 116 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.900 109.5 49.9 -67.7 -40.6 26.4 13.0 27.6 105 114 A F H <>S+ 0 0 9 -4,-2.7 5,-2.7 1,-0.2 3,-0.4 0.927 108.4 52.6 -63.5 -44.3 24.6 11.5 30.5 106 115 A V H ><5S+ 0 0 12 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.845 105.2 55.7 -60.6 -34.3 27.0 8.6 30.7 107 116 A D H 3<5S+ 0 0 129 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.856 106.1 51.6 -65.8 -34.3 29.9 11.1 30.8 108 117 A E T 3<5S- 0 0 76 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.380 125.6-102.1 -83.6 4.1 28.4 12.7 33.8 109 118 A G T < 5S+ 0 0 45 -3,-1.2 2,-0.9 1,-0.2 -3,-0.2 0.643 83.2 130.3 85.1 14.0 28.1 9.3 35.6 110 119 A I < + 0 0 4 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.845 18.8 137.0-103.1 96.0 24.3 8.9 34.9 111 120 A K + 0 0 80 -2,-0.9 2,-0.2 -5,-0.1 -20,-0.2 0.524 50.9 50.6-118.1 -12.0 24.2 5.4 33.5 112 121 A T S > S- 0 0 62 -3,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.747 82.2-105.4-127.9 176.3 21.2 3.6 35.0 113 122 A L H > S+ 0 0 42 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.886 122.9 52.7 -63.7 -39.7 17.5 3.9 35.7 114 123 A E H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 109.2 49.4 -62.9 -41.8 18.4 4.6 39.4 115 124 A D H 4 S+ 0 0 25 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.904 109.3 52.1 -64.7 -41.9 20.8 7.4 38.3 116 125 A L H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.932 107.5 50.8 -60.7 -48.3 18.1 8.9 36.1 117 126 A R H >< S+ 0 0 141 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.882 110.4 48.8 -58.7 -40.3 15.5 9.1 38.8 118 127 A K T 3< S+ 0 0 140 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.313 114.4 48.5 -83.8 10.5 17.9 10.8 41.2 119 128 A N T X + 0 0 38 -3,-1.7 3,-2.5 -5,-0.1 -1,-0.2 0.008 62.9 131.8-136.7 28.6 18.8 13.3 38.6 120 129 A E G X + 0 0 81 -3,-0.9 3,-2.7 1,-0.3 -2,-0.1 0.839 67.3 69.9 -50.4 -37.1 15.4 14.4 37.2 121 130 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.787 95.2 55.7 -52.5 -28.3 16.7 18.0 37.6 122 131 A K G < S+ 0 0 77 -3,-2.5 2,-0.4 -6,-0.2 -1,-0.3 0.311 94.3 85.3 -91.1 10.7 19.0 17.3 34.7 123 132 A L S < S- 0 0 16 -3,-2.7 -26,-0.0 -4,-0.1 -27,-0.0 -0.876 74.0-128.5-112.5 143.2 16.2 16.2 32.3 124 133 A N > - 0 0 85 -2,-0.4 4,-1.9 -28,-0.1 -1,-0.0 -0.185 43.2 -88.4 -75.7-179.0 14.1 18.4 30.1 125 134 A H H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.933 126.3 48.3 -57.3 -52.0 10.3 18.0 30.2 126 135 A H H > S+ 0 0 39 1,-0.2 4,-2.4 93,-0.2 -1,-0.2 0.920 111.3 50.8 -55.4 -48.2 10.0 15.3 27.6 127 136 A Q H > S+ 0 0 12 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.847 106.8 55.1 -61.5 -35.0 12.7 13.2 29.2 128 137 A R H X S+ 0 0 120 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.925 110.2 44.5 -65.6 -43.8 11.1 13.5 32.6 129 138 A I H X S+ 0 0 14 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 111.2 55.9 -66.7 -37.9 7.8 12.1 31.3 130 139 A G H < S+ 0 0 1 -4,-2.4 -2,-0.2 -35,-0.4 -1,-0.2 0.911 110.9 43.0 -59.2 -43.8 9.7 9.4 29.4 131 140 A L H >< S+ 0 0 8 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.881 109.3 59.8 -69.1 -37.9 11.4 8.3 32.6 132 141 A K H 3< S+ 0 0 130 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.907 119.5 26.2 -57.3 -44.9 8.1 8.5 34.5 133 142 A Y T 3X S+ 0 0 21 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.011 82.9 129.0-109.3 27.0 6.4 6.0 32.2 134 143 A F H <> S+ 0 0 26 -3,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.926 78.1 42.2 -46.1 -55.6 9.5 4.1 31.1 135 144 A G H >> S+ 0 0 39 -4,-0.3 3,-1.2 -3,-0.2 4,-0.7 0.937 114.4 50.4 -59.6 -48.9 8.1 0.7 32.0 136 145 A D H >4 S+ 0 0 36 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.878 104.5 57.0 -58.4 -41.5 4.7 1.5 30.5 137 146 A F H 3< S+ 0 0 42 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.622 99.7 60.3 -68.3 -12.4 6.0 2.7 27.2 138 147 A E H << S+ 0 0 95 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.742 89.8 94.0 -83.1 -25.8 7.8 -0.6 26.7 139 148 A K S << S- 0 0 101 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.0 -0.283 75.3-124.0 -69.6 151.5 4.5 -2.5 26.8 140 149 A R - 0 0 142 38,-0.0 40,-0.2 -2,-0.0 -1,-0.1 -0.560 17.6-126.3 -91.4 158.9 2.5 -3.4 23.7 141 150 A I E -A 179 0A 0 38,-2.5 38,-2.1 -2,-0.2 40,-0.1 -0.922 19.3-132.5-111.3 115.5 -1.1 -2.3 23.1 142 151 A P E >> -A 178 0A 54 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.391 20.7-122.6 -63.5 139.8 -3.6 -5.1 22.3 143 152 A R H 3> S+ 0 0 61 34,-2.1 4,-2.4 1,-0.3 5,-0.2 0.841 113.9 64.0 -51.9 -33.1 -5.8 -4.2 19.3 144 153 A E H 3> S+ 0 0 145 33,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.924 105.7 42.7 -56.6 -46.0 -8.7 -4.7 21.7 145 154 A E H <> S+ 0 0 27 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.847 109.1 58.3 -69.2 -34.8 -7.5 -1.8 23.8 146 155 A M H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.890 103.2 54.5 -60.9 -38.2 -6.7 0.2 20.6 147 156 A L H X S+ 0 0 80 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 108.7 46.8 -62.4 -41.0 -10.4 -0.1 19.7 148 157 A Q H X S+ 0 0 65 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.893 113.5 49.0 -67.8 -40.9 -11.5 1.3 23.0 149 158 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.943 110.1 51.2 -63.6 -46.3 -9.1 4.1 22.7 150 159 A Q H X S+ 0 0 53 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.918 109.0 52.1 -55.0 -46.8 -10.3 4.8 19.1 151 160 A D H X S+ 0 0 100 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 110.9 46.3 -57.9 -46.5 -13.9 4.9 20.4 152 161 A I H X S+ 0 0 33 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.953 115.1 46.2 -62.5 -51.6 -13.0 7.5 23.1 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.937 114.7 45.1 -59.8 -50.9 -11.0 9.7 20.8 154 163 A L H X S+ 0 0 62 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.926 117.3 46.0 -61.6 -41.6 -13.5 9.7 17.9 155 164 A N H X S+ 0 0 57 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.861 113.7 47.7 -70.0 -34.7 -16.4 10.3 20.3 156 165 A E H X S+ 0 0 18 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.900 112.7 48.6 -72.5 -40.5 -14.7 13.1 22.3 157 166 A V H >X S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.3 3,-0.7 0.906 106.9 56.6 -65.3 -39.8 -13.6 14.8 19.1 158 167 A K H 3< S+ 0 0 129 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.888 103.5 55.7 -58.6 -37.2 -17.1 14.6 17.8 159 168 A K H 3< S+ 0 0 139 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.784 107.1 48.9 -66.5 -29.2 -18.3 16.4 20.9 160 169 A V H << S- 0 0 41 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.2 0.961 137.4 -12.9 -74.3 -53.4 -16.0 19.3 20.3 161 170 A D >< - 0 0 41 -4,-2.2 3,-2.2 1,-0.1 -1,-0.3 -0.899 53.3-145.5-154.3 120.1 -17.0 19.7 16.7 162 171 A S T 3 S+ 0 0 101 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.657 100.0 65.5 -57.4 -17.0 -19.1 17.3 14.6 163 172 A E T 3 S+ 0 0 110 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.592 77.2 101.8 -85.0 -11.0 -17.0 18.4 11.6 164 173 A Y < - 0 0 12 -3,-2.2 2,-0.5 -7,-0.3 24,-0.2 -0.446 56.8-158.8 -69.8 145.6 -13.7 17.0 12.9 165 174 A I E -B 187 0B 75 22,-2.1 22,-1.6 -2,-0.1 2,-0.5 -0.973 7.1-170.3-129.5 115.9 -12.6 13.7 11.4 166 175 A A E -B 186 0B 13 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.918 3.1-173.0-108.5 132.2 -10.2 11.6 13.5 167 176 A T E -B 185 0B 27 18,-2.7 18,-3.5 -2,-0.5 2,-0.6 -0.991 20.2-135.4-128.1 130.1 -8.5 8.6 11.9 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.748 37.0 164.7 -87.1 119.9 -6.3 6.1 13.7 169 178 A C >> + 0 0 1 14,-2.5 4,-0.9 -2,-0.6 3,-0.9 0.101 28.3 73.6-109.7-140.1 -3.3 5.3 11.6 170 179 A G H >> S- 0 0 6 93,-2.1 4,-1.0 1,-0.2 3,-0.8 -0.170 115.0 -24.5 60.5-158.4 0.1 3.6 12.2 171 180 A S H 34>S+ 0 0 22 1,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.749 135.4 66.1 -58.6 -26.0 0.2 -0.1 12.7 172 181 A F H X45S+ 0 0 12 -3,-0.9 3,-1.6 1,-0.2 -1,-0.2 0.925 102.1 45.8 -62.5 -45.5 -3.5 -0.1 13.7 173 182 A R H <<5S+ 0 0 63 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.760 107.6 60.0 -69.3 -21.7 -4.6 1.0 10.3 174 183 A R T 3<5S- 0 0 44 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.350 122.5-109.0 -85.8 6.0 -2.3 -1.6 8.9 175 184 A G T < 5 + 0 0 38 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.594 56.3 169.4 79.8 13.2 -4.3 -4.2 10.8 176 185 A A < - 0 0 29 -5,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.237 39.1-136.5 -59.9 143.6 -1.8 -5.1 13.5 177 186 A E S S+ 0 0 149 1,-0.1 -34,-2.1 -35,-0.1 -33,-0.3 0.523 91.0 15.0 -78.3 -4.3 -3.0 -7.3 16.4 178 187 A S E S-A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.960 71.4-154.3-162.6 153.0 -1.0 -5.0 18.7 179 188 A S E -A 141 0A 0 -38,-2.1 -38,-2.5 -2,-0.3 3,-0.1 -0.942 23.9-134.7-134.9 155.8 0.6 -1.5 18.5 180 189 A G S S- 0 0 41 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.725 87.9 -24.4 -78.5 -22.3 3.4 0.3 20.2 181 190 A D S S- 0 0 38 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.947 74.0 -81.6-167.9-174.8 1.2 3.4 20.5 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.2 -2,-0.3 2,-0.5 -0.924 31.3-166.6-112.2 130.4 -1.8 5.3 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.5 -14,-0.4 2,-0.5 -0.969 6.7-169.1-116.9 122.8 -1.5 7.6 16.0 184 193 A V E -Bc 168 248B 2 63,-3.0 65,-2.9 -2,-0.5 2,-0.5 -0.950 10.1-159.4-119.0 121.8 -4.3 9.9 15.2 185 194 A L E -Bc 167 249B 0 -18,-3.5 -18,-2.7 -2,-0.5 2,-0.4 -0.836 19.1-164.9 -95.1 130.4 -4.7 11.9 12.0 186 195 A L E +Bc 166 250B 0 63,-3.1 65,-2.4 -2,-0.5 2,-0.3 -0.946 12.1 175.2-123.3 139.8 -7.0 14.9 12.5 187 196 A T E -B 165 0B 3 -22,-1.6 -22,-2.1 -2,-0.4 5,-0.1 -0.965 7.5-177.5-137.8 155.7 -8.8 17.1 10.0 188 197 A H > - 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