==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-FEB-12 4DOA . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.4 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 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 2 1 1 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 0 180 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -11.9 9.7 -15.1 12.8 2 11 A L T 3 + 0 0 93 1,-0.3 3,-0.1 36,-0.2 42,-0.1 0.856 360.0 14.5 -55.2 -37.5 10.8 -17.4 9.9 3 12 A N T 3> S+ 0 0 13 40,-0.1 4,-2.5 35,-0.1 -1,-0.3 -0.231 88.2 138.5-126.9 41.2 14.3 -15.8 10.0 4 13 A G H <> + 0 0 17 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.784 65.7 59.9 -61.1 -30.4 13.8 -14.1 13.4 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.982 111.3 38.9 -62.3 -56.8 17.3 -15.0 14.5 6 15 A I H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.884 115.4 51.3 -58.0 -47.2 18.9 -13.1 11.7 7 16 A T H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 109.7 50.7 -66.4 -39.1 16.5 -10.1 11.8 8 17 A D H X S+ 0 0 108 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.944 109.9 51.1 -57.2 -46.0 17.0 -9.7 15.5 9 18 A M H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 111.9 46.9 -57.0 -45.5 20.8 -9.7 14.9 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.857 110.9 50.9 -67.9 -37.9 20.4 -7.1 12.3 11 20 A T H X S+ 0 0 61 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.902 109.8 50.6 -67.1 -39.9 18.1 -4.9 14.4 12 21 A E H X S+ 0 0 66 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.916 112.0 47.1 -66.9 -41.1 20.6 -5.1 17.3 13 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.876 111.6 52.1 -61.7 -41.1 23.4 -4.0 14.9 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 109.9 48.4 -60.4 -46.4 21.1 -1.2 13.6 15 24 A N H X S+ 0 0 64 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.912 110.0 52.1 -61.8 -41.1 20.4 -0.0 17.2 16 25 A F H X>S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 5,-1.5 0.927 109.9 48.3 -57.8 -48.9 24.2 -0.0 18.0 17 26 A E H <>S+ 0 0 7 -4,-2.2 6,-2.7 3,-0.2 5,-0.6 0.917 117.9 40.8 -64.2 -40.7 25.0 2.0 15.0 18 27 A K H <5S+ 0 0 66 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.962 125.2 33.2 -68.8 -52.3 22.3 4.6 15.7 19 28 A N H <5S+ 0 0 13 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.870 133.0 21.4 -79.9 -39.8 22.7 4.8 19.4 20 29 A V T <5S+ 0 0 12 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.917 132.0 33.0 -97.6 -54.8 26.4 4.3 20.0 21 30 A S T + 0 0 28 -6,-2.7 4,-2.0 1,-0.2 3,-0.5 -0.749 24.1 178.6-112.8 80.0 26.1 6.4 12.3 24 33 A I H > S+ 0 0 80 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.814 76.0 53.8 -61.9 -32.3 22.5 6.9 11.0 25 34 A H H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.907 108.5 49.2 -72.6 -37.6 23.2 5.6 7.5 26 35 A K H > S+ 0 0 119 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.899 109.6 54.4 -60.5 -41.0 24.6 2.4 8.9 27 36 A Y H X S+ 0 0 31 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.958 111.0 43.7 -59.4 -50.8 21.5 2.2 11.1 28 37 A N H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.859 109.7 57.3 -63.6 -33.0 19.2 2.5 8.0 29 38 A A H X S+ 0 0 52 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.944 111.3 42.4 -63.0 -45.3 21.3 0.0 6.1 30 39 A Y H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.915 112.9 52.5 -68.9 -41.9 20.8 -2.6 8.8 31 40 A R H X S+ 0 0 38 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.887 109.3 50.6 -60.8 -35.4 17.1 -1.8 9.2 32 41 A K H X S+ 0 0 97 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.922 110.2 48.5 -69.9 -40.9 16.6 -2.2 5.5 33 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 22,-0.3 5,-0.2 0.933 111.7 50.1 -60.6 -46.7 18.4 -5.6 5.5 34 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.895 112.9 47.0 -58.2 -43.6 16.3 -6.7 8.4 35 44 A S H X S+ 0 0 9 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.926 111.6 48.7 -67.1 -46.2 13.1 -5.6 6.6 36 45 A V H X S+ 0 0 19 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.913 116.8 44.5 -63.4 -35.3 14.0 -7.3 3.3 37 46 A I H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.872 105.9 59.1 -77.3 -35.6 14.8 -10.5 5.2 38 47 A A H < S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -36,-0.2 0.811 109.2 46.5 -62.6 -26.7 11.7 -10.4 7.4 39 48 A K H < S+ 0 0 129 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.739 84.1 110.7 -84.7 -25.7 9.6 -10.4 4.2 40 49 A Y < - 0 0 51 -4,-0.8 4,-0.1 -3,-0.4 -38,-0.1 -0.326 63.6-145.1 -63.0 121.8 11.6 -13.3 2.6 41 50 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.247 71.4 68.2 -79.2 12.2 9.2 -16.3 2.5 42 51 A H S S- 0 0 111 -39,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.957 89.3-103.3-129.6 150.1 11.9 -19.0 3.0 43 52 A K - 0 0 149 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.584 47.6-120.2 -66.2 117.2 14.2 -20.0 5.9 44 53 A I - 0 0 5 -2,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.422 30.5-176.4 -69.3 134.9 17.6 -18.6 4.9 45 54 A K + 0 0 176 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.538 61.2 5.8-109.9 -13.3 20.3 -21.2 4.6 46 55 A S > - 0 0 38 1,-0.1 4,-1.8 22,-0.0 -1,-0.3 -0.988 66.6-108.9-164.6 161.8 23.4 -19.1 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.855 118.1 57.8 -58.6 -38.3 24.8 -15.6 3.5 48 57 A A H > S+ 0 0 67 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.934 105.2 48.5 -62.0 -49.8 25.0 -16.2 -0.2 49 58 A E H >4 S+ 0 0 37 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.889 113.9 48.9 -52.5 -41.7 21.3 -16.8 -0.4 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.844 100.4 63.9 -69.4 -34.6 20.7 -13.7 1.6 51 60 A K H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.726 86.9 71.9 -67.9 -20.5 23.0 -11.6 -0.5 52 61 A K T << S+ 0 0 182 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.724 84.1 86.4 -62.9 -19.9 20.6 -12.0 -3.4 53 62 A L S X S- 0 0 30 -3,-2.0 3,-1.8 -4,-0.2 2,-0.3 -0.594 92.6-105.6 -87.9 143.0 18.2 -9.7 -1.6 54 63 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.514 107.1 29.5 -73.2 125.1 18.6 -5.9 -2.2 55 64 A G T 3 S+ 0 0 34 1,-0.4 2,-0.6 -2,-0.3 -22,-0.3 0.157 97.5 99.8 110.1 -15.9 20.1 -4.2 0.9 56 65 A V < + 0 0 8 -3,-1.8 -1,-0.4 -6,-0.2 2,-0.1 -0.929 50.8 162.9-100.6 121.6 22.0 -7.3 1.8 57 66 A G > - 0 0 30 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.367 53.0 -64.5-120.4-156.1 25.6 -7.0 0.7 58 67 A T H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 126.1 47.9 -68.1 -44.3 29.0 -8.6 1.4 59 68 A K H > S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 115.8 43.4 -65.9 -44.8 29.4 -7.6 5.1 60 69 A I H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.927 110.9 56.6 -69.8 -42.1 25.8 -8.6 6.1 61 70 A A H X S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.890 107.9 48.3 -48.9 -47.4 26.2 -11.8 4.1 62 71 A E H X S+ 0 0 123 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 110.5 50.6 -64.0 -39.2 29.3 -12.7 6.1 63 72 A K H X S+ 0 0 36 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.915 107.5 53.6 -66.5 -40.2 27.5 -12.0 9.4 64 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.889 107.9 50.8 -62.0 -40.1 24.6 -14.2 8.4 65 74 A D H X S+ 0 0 79 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.922 111.5 47.9 -60.5 -46.8 27.1 -17.0 7.7 66 75 A E H X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 6,-0.5 0.973 114.0 46.7 -56.5 -52.9 28.6 -16.5 11.2 67 76 A F H X S+ 0 0 42 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.896 112.2 50.3 -58.3 -40.8 25.2 -16.4 12.8 68 77 A L H < S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.900 113.5 45.0 -68.5 -36.6 24.0 -19.5 11.0 69 78 A A H < S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 132.6 15.8 -73.6 -36.1 27.0 -21.6 11.9 70 79 A T H < S- 0 0 82 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.636 94.5-116.5-115.0 -22.2 27.2 -20.6 15.6 71 80 A G S < S+ 0 0 50 -4,-2.7 2,-0.3 -5,-0.5 -4,-0.2 0.577 87.4 52.0 87.3 11.6 23.9 -19.0 16.6 72 81 A K S S- 0 0 86 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.965 74.3-114.4-163.5-179.8 25.6 -15.7 17.4 73 82 A L > - 0 0 3 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.987 10.3-153.3-131.2 122.3 27.8 -12.9 16.4 74 83 A R H > S+ 0 0 168 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.881 98.1 58.9 -62.9 -37.9 31.1 -12.1 18.1 75 84 A K H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 111.4 42.1 -57.9 -39.7 30.9 -8.4 17.2 76 85 A L H > S+ 0 0 3 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.916 108.0 58.8 -72.9 -44.3 27.6 -8.3 19.1 77 86 A E H X S+ 0 0 69 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.907 110.2 45.8 -48.4 -42.0 28.9 -10.4 22.0 78 87 A K H X S+ 0 0 157 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.899 109.1 52.9 -71.8 -41.6 31.6 -7.8 22.4 79 88 A I H < S+ 0 0 15 -4,-1.6 3,-0.5 1,-0.2 7,-0.3 0.924 109.2 51.0 -60.7 -41.1 29.2 -4.9 22.2 80 89 A R H < S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.3 49.7 -65.4 -35.1 27.0 -6.4 24.9 81 90 A Q H < S+ 0 0 128 -4,-1.4 2,-0.7 -5,-0.2 -1,-0.2 0.715 89.5 98.8 -74.5 -21.6 30.0 -6.9 27.2 82 91 A D X - 0 0 79 -4,-1.3 4,-2.6 -3,-0.5 5,-0.2 -0.572 62.2-157.9 -77.9 113.9 31.0 -3.3 26.7 83 92 A D H > S+ 0 0 119 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.860 88.7 50.4 -61.1 -39.6 29.8 -1.2 29.6 84 93 A T H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.964 114.2 43.4 -67.8 -46.4 29.8 2.1 27.8 85 94 A S H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.906 114.5 50.3 -61.5 -43.3 27.8 0.9 24.8 86 95 A S H X S+ 0 0 46 -4,-2.6 4,-2.4 -7,-0.3 -1,-0.2 0.935 111.3 48.4 -64.1 -43.8 25.4 -1.0 26.9 87 96 A S H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.950 113.8 46.3 -60.0 -50.0 24.8 2.0 29.1 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.905 111.1 52.2 -59.9 -43.3 24.3 4.3 26.1 89 98 A N H < S+ 0 0 38 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.914 111.2 49.0 -62.9 -39.2 22.0 1.7 24.4 90 99 A F H >< S+ 0 0 47 -4,-2.4 3,-2.3 -5,-0.2 4,-0.3 0.949 106.7 51.8 -63.2 -52.7 19.9 1.6 27.6 91 100 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 6,-0.2 0.847 99.4 65.3 -59.2 -34.5 19.4 5.3 28.2 92 101 A T T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.597 86.4 73.6 -65.9 -7.8 18.2 5.8 24.6 93 102 A R T < S+ 0 0 123 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.670 76.9 89.1 -79.0 -16.9 15.2 3.6 25.5 94 103 A V S X S- 0 0 1 -3,-2.0 3,-2.2 -4,-0.3 37,-0.1 -0.702 94.0-112.5 -74.4 125.5 13.8 6.6 27.6 95 104 A S T 3 S+ 0 0 38 -2,-0.5 35,-0.3 1,-0.3 36,-0.2 -0.379 103.9 26.9 -59.6 131.4 11.7 8.7 25.3 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.144 97.1 100.5 99.9 -20.5 13.4 12.1 24.8 97 106 A I < + 0 0 5 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.895 51.9 176.4 -97.1 111.3 16.9 10.7 25.4 98 107 A G > - 0 0 29 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.348 49.6 -77.1 -96.1-172.7 18.7 10.2 22.1 99 108 A P H > S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.868 129.0 48.4 -52.6 -43.7 22.2 9.1 21.2 100 109 A S H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.980 116.2 40.7 -66.8 -52.9 23.7 12.5 22.1 101 110 A A H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.905 112.8 56.7 -62.0 -36.6 22.0 13.0 25.4 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.921 109.9 44.2 -61.9 -40.9 22.6 9.3 26.3 103 112 A R H X S+ 0 0 81 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.850 112.3 52.4 -74.8 -34.4 26.3 9.7 25.8 104 113 A K H X S+ 0 0 126 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.932 111.3 47.8 -63.1 -45.7 26.4 13.0 27.7 105 114 A F H ><>S+ 0 0 13 -4,-3.1 5,-2.4 1,-0.2 3,-1.1 0.962 110.5 50.6 -58.9 -51.6 24.6 11.3 30.6 106 115 A V H ><5S+ 0 0 8 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.870 105.8 56.7 -56.1 -39.7 27.0 8.4 30.6 107 116 A D H 3<5S+ 0 0 122 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.809 105.7 51.5 -58.8 -32.2 29.9 10.8 30.6 108 117 A E T <<5S- 0 0 98 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.381 125.5-103.5 -86.4 3.5 28.5 12.4 33.9 109 118 A G T < 5S+ 0 0 45 -3,-1.6 2,-0.7 -4,-0.3 -3,-0.2 0.735 80.9 134.5 76.4 24.1 28.3 8.9 35.4 110 119 A I < + 0 0 4 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.902 18.4 135.9-102.5 103.4 24.5 8.7 34.9 111 120 A K + 0 0 80 -2,-0.7 2,-0.2 -3,-0.1 -20,-0.1 0.522 48.0 49.7-130.6 -12.0 24.0 5.2 33.5 112 121 A T S > S- 0 0 62 1,-0.1 4,-2.0 -22,-0.1 5,-0.1 -0.753 83.5-102.4-130.2 175.2 21.1 3.4 35.1 113 122 A L H > S+ 0 0 39 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 123.1 55.1 -66.6 -40.5 17.4 3.9 35.9 114 123 A E H > S+ 0 0 145 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 107.9 49.0 -57.9 -44.3 18.4 4.5 39.5 115 124 A D H > S+ 0 0 23 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.893 110.9 50.2 -64.5 -39.1 20.8 7.3 38.3 116 125 A L H >< S+ 0 0 2 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.921 108.7 51.3 -65.7 -44.2 18.1 8.9 36.2 117 126 A R H >< S+ 0 0 146 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.892 110.7 48.4 -61.5 -37.9 15.6 8.9 38.9 118 127 A K H 3< S+ 0 0 130 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.577 114.0 47.7 -82.6 -7.6 18.0 10.6 41.3 119 128 A N T X< + 0 0 34 -3,-0.9 3,-2.6 -4,-0.7 -1,-0.2 -0.054 63.0 134.2-120.4 34.3 18.9 13.2 38.7 120 129 A E G X + 0 0 75 -3,-0.9 3,-2.2 1,-0.3 -1,-0.1 0.791 67.1 70.3 -48.6 -32.4 15.5 14.3 37.4 121 130 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.811 94.0 55.8 -57.2 -29.6 16.8 17.9 37.8 122 131 A K G < S+ 0 0 89 -3,-2.6 2,-0.3 -6,-0.2 -1,-0.3 0.476 92.9 92.2 -83.0 -0.8 19.0 17.1 34.8 123 132 A L < - 0 0 22 -3,-2.2 2,-0.1 -4,-0.2 -26,-0.0 -0.715 69.8-134.5 -96.2 139.9 16.1 16.1 32.5 124 133 A N > - 0 0 88 -2,-0.3 4,-2.1 -28,-0.1 -1,-0.0 -0.280 42.9 -91.6 -73.8-179.8 14.1 18.3 30.2 125 134 A H H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.954 125.0 47.8 -65.1 -52.1 10.3 17.9 30.3 126 135 A H H > S+ 0 0 40 93,-0.2 4,-2.5 1,-0.2 3,-0.4 0.940 112.9 49.8 -48.1 -54.1 10.0 15.2 27.6 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 107.3 55.4 -57.8 -38.8 12.7 13.2 29.1 128 137 A R H X S+ 0 0 139 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.872 109.9 43.9 -64.2 -39.7 11.1 13.4 32.6 129 138 A I H X S+ 0 0 7 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.868 110.7 56.8 -75.2 -34.9 7.8 12.0 31.3 130 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.3 -35,-0.3 -2,-0.2 0.912 111.4 42.4 -56.2 -43.5 9.7 9.3 29.4 131 140 A L H >< S+ 0 0 9 -4,-2.3 3,-1.8 -5,-0.2 4,-0.3 0.934 109.2 59.1 -69.6 -44.7 11.4 8.2 32.6 132 141 A K H 3< S+ 0 0 130 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.881 120.5 26.7 -49.6 -44.6 8.1 8.5 34.6 133 142 A Y T 3X S+ 0 0 19 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.035 81.5 130.9-110.1 24.8 6.4 5.9 32.3 134 143 A F H <> S+ 0 0 24 -3,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.909 78.4 42.0 -45.0 -50.6 9.6 4.1 31.3 135 144 A G H >4 S+ 0 0 38 -4,-0.3 3,-1.5 -3,-0.2 4,-0.5 0.951 113.8 51.3 -63.4 -47.1 8.0 0.7 32.0 136 145 A D H >4 S+ 0 0 33 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.881 103.9 56.4 -60.4 -40.5 4.7 1.5 30.5 137 146 A F H 3< S+ 0 0 44 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.588 99.8 62.9 -74.6 -9.5 6.0 2.7 27.2 138 147 A E T << S+ 0 0 95 -3,-1.5 -1,-0.3 -4,-0.5 2,-0.2 0.602 88.5 89.8 -78.2 -20.3 7.8 -0.6 26.8 139 148 A K S < S- 0 0 104 -3,-1.8 2,-0.2 -4,-0.5 -3,-0.0 -0.553 74.6-129.9 -87.2 148.3 4.5 -2.4 26.8 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.561 19.3-122.1 -86.9 163.2 2.5 -3.1 23.6 141 150 A I E -A 179 0A 0 38,-2.9 38,-2.2 -2,-0.2 40,-0.1 -0.913 21.2-130.5-108.3 119.1 -1.2 -2.2 23.2 142 151 A P E >> -A 178 0A 57 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.407 22.3-118.8 -66.5 149.0 -3.5 -5.1 22.4 143 152 A R H 3> S+ 0 0 58 34,-2.3 4,-2.7 1,-0.3 5,-0.2 0.823 113.8 62.3 -56.8 -33.8 -5.8 -4.3 19.4 144 153 A E H 3> S+ 0 0 139 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.908 106.4 44.4 -60.9 -40.5 -8.8 -4.7 21.7 145 154 A E H <> S+ 0 0 28 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.833 109.9 55.5 -70.0 -34.6 -7.5 -1.7 23.8 146 155 A M H X S+ 0 0 1 -4,-1.8 4,-3.3 1,-0.2 5,-0.2 0.914 104.7 54.6 -63.2 -39.7 -6.8 0.3 20.7 147 156 A L H X S+ 0 0 83 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.912 109.3 46.2 -59.1 -43.3 -10.4 -0.3 19.7 148 157 A Q H X S+ 0 0 65 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.886 113.4 49.7 -66.8 -40.0 -11.5 1.2 23.1 149 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.928 109.0 51.8 -63.7 -46.2 -9.1 4.1 22.7 150 159 A Q H X S+ 0 0 50 -4,-3.3 4,-3.0 2,-0.2 5,-0.4 0.931 108.6 52.7 -48.7 -47.9 -10.3 4.8 19.1 151 160 A D H X S+ 0 0 99 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.940 111.3 44.2 -67.8 -42.6 -13.9 4.9 20.4 152 161 A I H X S+ 0 0 35 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.949 115.6 47.4 -60.2 -51.8 -13.1 7.5 23.1 153 162 A V H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.913 114.4 45.3 -61.5 -45.5 -11.0 9.7 20.9 154 163 A L H X S+ 0 0 61 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.952 116.1 46.7 -64.2 -46.4 -13.5 9.7 18.0 155 164 A N H X S+ 0 0 57 -4,-2.3 4,-1.8 -5,-0.4 -2,-0.2 0.907 113.2 48.0 -62.3 -39.7 -16.5 10.3 20.3 156 165 A E H X S+ 0 0 19 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.881 112.4 48.9 -69.8 -35.8 -14.7 13.1 22.2 157 166 A V H >X S+ 0 0 5 -4,-2.0 4,-2.2 -5,-0.3 3,-0.7 0.942 107.7 54.8 -68.4 -43.9 -13.7 14.8 19.0 158 167 A K H 3< S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.883 105.4 54.8 -54.9 -39.9 -17.2 14.5 17.8 159 168 A K H 3< S+ 0 0 138 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.812 107.1 49.7 -64.5 -33.0 -18.3 16.3 21.0 160 169 A V H << S- 0 0 36 -4,-1.3 2,-0.3 -3,-0.7 -2,-0.2 0.948 138.3 -18.0 -70.3 -49.7 -16.0 19.2 20.3 161 170 A D >< - 0 0 46 -4,-2.2 3,-1.9 -5,-0.1 -1,-0.3 -0.848 54.5-143.1-162.0 119.4 -17.1 19.8 16.7 162 171 A S T 3 S+ 0 0 97 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.566 97.9 67.6 -63.7 -9.3 -19.0 17.2 14.6 163 172 A E T 3 S+ 0 0 111 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.536 76.6 101.0 -91.9 -6.2 -17.0 18.4 11.5 164 173 A Y < - 0 0 13 -3,-1.9 2,-0.5 -7,-0.2 24,-0.2 -0.467 59.0-156.0 -64.9 145.9 -13.7 17.0 12.8 165 174 A I E -B 187 0B 79 22,-2.5 22,-2.1 -2,-0.1 2,-0.5 -0.988 7.9-169.0-123.5 125.2 -12.6 13.7 11.3 166 175 A A E -B 186 0B 11 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.960 3.6-174.1-115.6 130.5 -10.2 11.6 13.4 167 176 A T E -B 185 0B 29 18,-2.8 18,-3.5 -2,-0.5 2,-0.5 -0.986 20.1-137.7-128.6 119.1 -8.6 8.6 11.8 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.643 36.1 164.8 -77.7 123.8 -6.4 6.1 13.7 169 178 A C >> + 0 0 1 14,-2.5 4,-1.1 -2,-0.5 3,-0.7 0.092 27.8 77.1-115.4-138.7 -3.4 5.3 11.6 170 179 A G H >> S- 0 0 6 93,-2.5 4,-1.3 1,-0.2 3,-0.6 -0.162 114.1 -26.8 59.5-156.1 -0.0 3.6 12.3 171 180 A S H 34>S+ 0 0 19 1,-0.2 5,-2.4 2,-0.2 -1,-0.2 0.766 135.7 67.4 -63.8 -25.6 0.1 -0.2 12.8 172 181 A F H X45S+ 0 0 13 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.942 101.5 45.2 -57.7 -49.2 -3.5 -0.1 13.9 173 182 A R H <<5S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.832 106.7 60.9 -67.4 -27.4 -4.6 1.0 10.4 174 183 A R T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 90,-0.2 -2,-0.2 0.408 122.3-108.1 -77.8 3.3 -2.3 -1.7 8.9 175 184 A G T < 5 + 0 0 39 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.562 57.4 169.4 88.3 10.2 -4.4 -4.3 10.8 176 185 A A < - 0 0 27 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.246 39.2-137.0 -62.0 138.9 -1.8 -5.1 13.5 177 186 A E S S+ 0 0 153 1,-0.1 -34,-2.3 -35,-0.1 2,-0.3 0.597 91.3 16.0 -71.2 -14.0 -3.0 -7.3 16.5 178 187 A S E S-A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.972 70.9-155.7-151.8 157.7 -1.0 -4.9 18.8 179 188 A S E -A 141 0A 0 -38,-2.2 -38,-2.9 -2,-0.3 3,-0.1 -0.955 22.6-135.1-133.5 149.6 0.5 -1.5 18.5 180 189 A G S S- 0 0 40 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.740 86.7 -22.6 -70.4 -26.0 3.3 0.4 20.2 181 190 A D S S- 0 0 39 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.928 75.3 -83.7-165.9-175.7 1.2 3.5 20.5 182 191 A M E - c 0 246B 0 63,-2.2 65,-2.5 -2,-0.3 2,-0.5 -0.947 30.0-167.2-115.7 127.2 -1.7 5.4 19.1 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.5 -14,-0.3 2,-0.5 -0.945 7.3-170.4-111.4 123.7 -1.5 7.6 16.0 184 193 A V E -Bc 168 248B 2 63,-2.5 65,-2.4 -2,-0.5 2,-0.4 -0.961 9.8-157.8-121.4 121.6 -4.4 9.9 15.3 185 194 A L E -Bc 167 249B 0 -18,-3.5 -18,-2.8 -2,-0.5 2,-0.4 -0.824 18.2-164.1 -96.8 134.3 -4.8 11.9 12.1 186 195 A L E +Bc 166 250B 1 63,-2.7 65,-2.4 -2,-0.4 2,-0.3 -0.958 12.1 176.9-124.2 136.1 -7.1 14.8 12.5 187 196 A T E -B 165 0B 3 -22,-2.1 -22,-2.5 -2,-0.4 5,-0.1 -0.983 7.1-178.0-132.8 152.3 -8.9 17.0 10.0 188 197 A H > - 0 0 1 3,-0.4 3,-1.9 63,-0.4 65,-0.4 -0.985 33.6-125.6-140.5 140.3 -11.3 19.9 10.1 189 198 A P T 3 S+ 0 0 47 0, 0.0 65,-0.1 0, 0.0 8,-0.1 0.779 107.0 62.2 -55.4 -27.1 -12.9 21.7 7.1 190 199 A S T 3 S+ 0 0 10 1,-0.1 7,-3.1 6,-0.1 2,-0.7 0.599 94.2 67.8 -81.5 -9.5 -11.7 25.2 8.3 191 200 A F B < +F 196 0C 25 -3,-1.9 62,-2.5 5,-0.2 -3,-0.4 -0.929 67.4 144.2-111.8 106.2 -8.0 24.2 8.1 192 201 A T - 0 0 35 3,-2.6 -2,-0.0 -2,-0.7 -5,-0.0 -0.781 66.8 -96.6-127.1 176.8 -6.9 23.7 4.5 193 202 A S S S+ 0 0 63 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.718 124.2 53.4 -61.8 -21.7 -3.8 24.3 2.5 194 203 A E S S- 0 0 164 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.869 122.1 -14.5 -85.4 -40.6 -5.5 27.6 1.4 195 204 A S - 0 0 41 3,-0.0 -3,-2.6 -5,-0.0 2,-0.7 -0.996 46.5-127.9-159.6 156.4 -6.3 29.1 4.8 196 205 A T B +F 191 0C 92 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.906 29.7 176.1-106.6 99.7 -6.7 28.5 8.6 197 206 A K + 0 0 160 -7,-3.1 -6,-0.1 -2,-0.7 -1,-0.1 0.521 66.3 36.3 -85.7 -7.2 -10.2 29.9 9.2 198 207 A Q S S- 0 0 74 -8,-0.3 3,-0.4 -3,-0.1 -1,-0.1 -0.986 73.8-141.8-145.5 136.9 -10.2 28.9 12.9 199 208 A P S S+ 0 0 97 0, 0.0 -2,-0.0 0, 0.0 -8,-0.0 -0.364 79.7 31.4 -88.3 174.3 -7.4 28.9 15.5 200 209 A K > + 0 0 134 1,-0.1 4,-2.7 -2,-0.1 5,-0.3 0.657 68.5 147.0 59.1 20.7 -6.8 26.4 18.3 201 210 A L H > S+ 0 0 7 -3,-0.4 4,-0.8 1,-0.2 -1,-0.1 0.906 78.0 33.7 -58.2 -42.6 -8.2 23.6 16.1 202 211 A L H > S+ 0 0 3 21,-0.4 4,-2.7 2,-0.2 3,-0.4 0.911 114.9 58.2 -74.4 -46.9 -5.8 21.1 17.7 203 212 A H H > S+ 0 0 59 1,-0.2 4,-3.6 2,-0.2 -2,-0.2 0.876 101.9 53.7 -51.8 -46.9 -5.7 22.6 21.1 204 213 A Q H X S+ 0 0 72 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.873 111.2 47.0 -59.5 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