==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-SEP-12 4GXJ . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,S.H.WILSON . 315 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.9 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 . 0 0.0 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 3 2 1 1 1 1 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 . 0 1 1 0 2 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 0 179 0, 0.0 3,-2.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -26.3 0.0 14.6 16.7 2 11 A L T 3 + 0 0 97 1,-0.3 3,-0.1 2,-0.1 42,-0.1 0.796 360.0 15.2 -46.7 -45.3 -3.4 16.2 17.4 3 12 A N T 3> S+ 0 0 11 1,-0.1 4,-2.0 40,-0.1 -1,-0.3 -0.230 85.7 135.4-122.8 42.4 -4.2 13.7 20.1 4 13 A G H <> + 0 0 20 -3,-2.4 4,-3.0 1,-0.2 5,-0.3 0.832 64.4 61.6 -62.2 -36.4 -0.8 12.3 20.7 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.969 110.0 39.9 -56.5 -55.2 -1.0 12.4 24.5 6 15 A I H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.967 117.8 46.3 -56.6 -58.4 -3.9 10.1 24.6 7 16 A T H X S+ 0 0 22 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.882 110.8 52.7 -62.2 -40.5 -2.8 7.7 21.9 8 17 A D H X S+ 0 0 116 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.954 111.8 47.1 -53.4 -48.8 0.8 7.5 23.3 9 18 A M H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.917 112.6 48.9 -65.9 -38.1 -0.7 6.6 26.7 10 19 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.867 110.5 51.1 -64.1 -37.6 -3.1 4.0 25.2 11 20 A T H X S+ 0 0 61 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.889 109.8 50.2 -68.5 -38.4 -0.2 2.4 23.2 12 21 A E H X S+ 0 0 65 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 111.4 47.4 -65.4 -46.2 1.8 2.2 26.4 13 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.914 110.1 54.7 -58.5 -42.9 -1.1 0.5 28.2 14 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 108.9 47.5 -54.7 -47.9 -1.4 -1.8 25.2 15 24 A N H X S+ 0 0 60 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.896 110.0 51.9 -64.9 -40.7 2.2 -2.8 25.5 16 25 A F H X>S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 5,-1.4 0.949 109.9 49.8 -59.2 -48.7 2.0 -3.4 29.3 17 26 A E H <5S+ 0 0 8 -4,-2.7 6,-2.3 3,-0.2 5,-0.4 0.902 117.4 41.0 -59.1 -42.0 -1.0 -5.7 28.7 18 27 A K H <5S+ 0 0 70 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.970 124.6 32.7 -70.0 -54.2 0.8 -7.6 26.0 19 28 A N H <5S+ 0 0 10 -4,-3.4 84,-0.2 -5,-0.2 -3,-0.2 0.918 134.1 21.0 -73.0 -44.4 4.3 -7.9 27.6 20 29 A V T <5S+ 0 0 8 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.956 130.7 34.7 -91.7 -63.2 3.4 -8.1 31.3 21 30 A S S > - 0 0 30 -6,-2.3 4,-2.1 1,-0.2 3,-0.5 -0.769 26.5-178.9-104.7 85.0 -3.6 -10.4 27.9 24 33 A I H 3> S+ 0 0 84 -2,-0.8 4,-2.8 1,-0.3 -1,-0.2 0.812 77.8 52.1 -57.9 -36.5 -3.5 -10.3 24.1 25 34 A H H 3> S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.853 107.6 51.1 -75.4 -33.1 -7.1 -9.1 23.6 26 35 A K H <> S+ 0 0 115 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.889 109.4 52.4 -64.3 -39.9 -6.7 -6.3 26.1 27 36 A Y H X S+ 0 0 29 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.983 109.8 48.9 -52.6 -57.5 -3.6 -5.3 24.0 28 37 A N H X S+ 0 0 44 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.825 109.0 54.1 -51.2 -36.6 -5.9 -5.4 20.9 29 38 A A H X S+ 0 0 48 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.915 108.9 45.3 -69.7 -45.6 -8.5 -3.3 22.7 30 39 A Y H X S+ 0 0 20 -4,-2.2 4,-3.2 -3,-0.3 5,-0.2 0.916 112.6 51.6 -64.9 -42.2 -6.1 -0.5 23.6 31 40 A R H X S+ 0 0 59 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.906 110.1 50.2 -63.3 -39.5 -4.6 -0.4 20.2 32 41 A K H X S+ 0 0 101 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.976 111.6 47.0 -60.6 -55.0 -8.1 -0.2 18.7 33 42 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 22,-0.4 5,-0.2 0.947 113.5 49.5 -48.3 -52.8 -9.0 2.7 20.9 34 43 A A H X S+ 0 0 9 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.894 111.5 49.0 -56.6 -43.8 -5.7 4.4 20.0 35 44 A S H X S+ 0 0 11 -4,-2.7 4,-1.0 2,-0.2 3,-0.4 0.939 112.1 47.4 -60.7 -50.3 -6.3 3.8 16.3 36 45 A V H >< S+ 0 0 34 -4,-2.9 3,-0.8 1,-0.2 4,-0.3 0.920 112.3 50.0 -58.1 -46.5 -9.9 5.2 16.5 37 46 A I H 3< S+ 0 0 1 -4,-2.9 3,-0.4 -5,-0.3 -1,-0.2 0.752 106.1 56.1 -66.8 -23.3 -8.7 8.3 18.4 38 47 A A H 3< S+ 0 0 74 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.724 106.3 51.0 -80.3 -20.4 -5.9 8.9 15.9 39 48 A K S << S+ 0 0 131 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.450 84.6 111.5 -90.7 -3.7 -8.5 9.1 13.2 40 49 A Y - 0 0 38 -3,-0.4 4,-0.1 -4,-0.3 -37,-0.0 -0.654 57.5-155.4 -81.9 120.2 -10.6 11.6 15.1 41 50 A P + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.634 69.8 68.4 -70.9 -19.5 -10.5 15.0 13.4 42 51 A H S S- 0 0 111 1,-0.0 2,-0.5 -39,-0.0 -2,-0.1 -0.451 90.4-101.9 -98.3 171.4 -11.3 17.0 16.5 43 52 A K - 0 0 98 -2,-0.1 2,-0.5 -40,-0.0 -40,-0.1 -0.841 40.9-119.2 -91.9 125.7 -9.3 17.7 19.7 44 53 A I + 0 0 0 -2,-0.5 3,-0.1 1,-0.2 -38,-0.1 -0.500 35.7 173.7 -74.8 116.3 -10.5 15.5 22.6 45 54 A K + 0 0 175 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.667 63.6 8.9 -96.6 -18.6 -11.8 17.7 25.4 46 55 A S S > S- 0 0 45 1,-0.1 4,-1.2 22,-0.0 -1,-0.1 -0.963 71.0-110.5-152.3 166.9 -13.3 15.1 27.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.854 117.6 58.1 -67.9 -34.5 -13.4 11.3 28.2 48 57 A A H > S+ 0 0 64 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.857 102.9 52.6 -65.7 -34.0 -17.1 11.4 27.3 49 58 A E H 4 S+ 0 0 31 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.874 113.0 45.7 -67.0 -35.0 -16.3 12.9 24.0 50 59 A A H >< S+ 0 0 0 -4,-1.2 3,-1.8 1,-0.2 -2,-0.2 0.909 103.1 63.2 -68.3 -44.8 -13.9 10.0 23.5 51 60 A K H 3< S+ 0 0 99 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.716 88.2 71.3 -58.8 -21.1 -16.4 7.5 24.7 52 61 A K T 3< S+ 0 0 158 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.899 84.9 85.4 -58.6 -39.0 -18.6 8.4 21.7 53 62 A L S X S- 0 0 22 -3,-1.8 3,-1.1 -4,-0.4 2,-0.3 -0.324 91.7-107.8 -66.3 144.0 -16.0 6.6 19.5 54 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.595 106.2 30.9 -72.6 127.7 -16.3 2.8 18.9 55 64 A G T 3 S+ 0 0 31 -2,-0.3 2,-0.7 1,-0.2 -22,-0.4 0.019 97.5 98.8 109.8 -23.8 -13.5 0.9 20.8 56 65 A V < + 0 0 6 -3,-1.1 -1,-0.2 -6,-0.2 2,-0.1 -0.877 54.2 167.7 -99.4 110.0 -13.4 3.5 23.5 57 66 A G > - 0 0 33 -2,-0.7 4,-2.0 -3,-0.1 5,-0.1 -0.102 49.2 -66.8-106.9-155.1 -15.4 2.3 26.5 58 67 A T H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.974 125.3 45.9 -64.6 -58.6 -16.0 3.2 30.1 59 68 A K H > S+ 0 0 141 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 114.2 46.5 -54.1 -52.9 -12.6 2.4 31.5 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.936 108.9 57.6 -58.1 -44.4 -10.6 4.2 28.8 61 70 A A H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.904 107.9 47.1 -49.8 -47.1 -12.9 7.1 29.1 62 71 A E H X S+ 0 0 115 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.934 110.5 51.5 -59.3 -47.3 -11.9 7.3 32.8 63 72 A K H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.860 109.9 50.3 -63.5 -31.0 -8.3 7.0 31.9 64 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.897 108.0 52.6 -70.9 -40.9 -8.7 9.9 29.5 65 74 A D H X S+ 0 0 85 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.955 111.9 45.7 -57.3 -50.6 -10.4 12.1 32.1 66 75 A E H X>S+ 0 0 50 -4,-2.6 4,-3.1 1,-0.2 5,-0.6 0.888 112.4 52.1 -59.4 -40.7 -7.5 11.5 34.5 67 76 A F H X5S+ 0 0 39 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.884 110.8 45.2 -65.9 -40.6 -5.0 12.2 31.7 68 77 A L H <5S+ 0 0 71 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.688 119.5 43.7 -76.7 -17.2 -6.5 15.5 30.7 69 78 A A H <5S+ 0 0 85 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.864 129.2 21.6 -91.7 -43.9 -6.8 16.6 34.3 70 79 A T H <5S- 0 0 74 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.2 0.743 91.6-128.3 -97.6 -29.5 -3.5 15.5 35.7 71 80 A G S < - 0 0 3 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.998 8.3-150.0-133.1 130.7 -1.8 8.4 34.4 74 83 A R H > S+ 0 0 198 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.926 96.9 55.7 -63.3 -45.3 -1.7 6.7 37.9 75 84 A K H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 109.3 46.5 -57.2 -42.6 -1.7 3.2 36.5 76 85 A L H > S+ 0 0 5 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.926 105.9 55.3 -70.9 -46.1 1.3 3.8 34.3 77 86 A E H X S+ 0 0 62 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.913 108.5 52.5 -54.6 -41.1 3.6 5.5 36.9 78 87 A K H X S+ 0 0 148 -4,-2.0 4,-1.2 2,-0.2 3,-0.3 0.969 111.3 45.6 -50.4 -57.2 2.9 2.4 39.0 79 88 A I H >< S+ 0 0 13 -4,-1.9 3,-0.8 1,-0.2 7,-0.5 0.928 112.6 50.8 -52.8 -51.4 4.0 0.2 36.1 80 89 A R H 3< S+ 0 0 124 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 113.6 43.6 -58.6 -37.9 7.1 2.4 35.4 81 90 A Q H 3< S+ 0 0 140 -4,-2.2 2,-0.5 -5,-0.3 -1,-0.3 0.551 92.3 99.0 -88.9 -10.0 8.3 2.3 39.0 82 91 A D S+ 0 0 87 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.954 92.0 44.3 -63.3 -55.2 10.8 -3.4 38.9 84 93 A T H > S+ 0 0 56 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.966 118.3 42.8 -53.2 -61.6 9.4 -6.6 37.5 85 94 A S H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 116.0 47.1 -54.5 -50.9 7.0 -4.9 35.0 86 95 A S H X S+ 0 0 47 -4,-2.6 4,-1.7 -7,-0.5 -1,-0.2 0.877 114.8 49.7 -59.9 -36.2 9.6 -2.3 33.9 87 96 A S H X S+ 0 0 9 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.902 110.3 47.7 -69.2 -44.7 12.1 -5.2 33.5 88 97 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.956 111.7 51.5 -61.8 -48.4 9.8 -7.4 31.5 89 98 A N H X S+ 0 0 39 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.861 110.5 48.6 -55.0 -42.5 8.9 -4.4 29.2 90 99 A F H >< S+ 0 0 48 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.2 0.958 109.0 51.4 -66.7 -48.1 12.5 -3.6 28.6 91 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.3 6,-0.2 0.882 99.6 63.1 -57.2 -40.8 13.5 -7.2 27.7 92 101 A T H 3< S+ 0 0 26 -4,-2.1 -1,-0.3 1,-0.3 5,-0.2 0.697 84.9 77.8 -61.9 -17.9 10.7 -7.7 25.2 93 102 A R T << S+ 0 0 123 -3,-1.6 2,-0.6 -4,-0.5 -1,-0.3 0.645 77.5 90.4 -61.8 -15.1 12.4 -4.9 23.2 94 103 A V S X S- 0 0 2 -3,-2.8 3,-2.3 -4,-0.2 37,-0.1 -0.746 91.6-116.7 -83.3 124.7 14.9 -7.6 22.2 95 104 A S T 3 S+ 0 0 39 -2,-0.6 35,-0.4 1,-0.3 36,-0.2 -0.378 102.6 25.5 -59.0 129.4 13.8 -9.4 19.0 96 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.186 100.5 98.2 99.8 -18.2 13.1 -13.0 19.8 97 106 A I < + 0 0 4 -3,-2.3 -1,-0.2 -6,-0.2 -3,-0.2 -0.921 52.0 171.0-102.3 112.1 12.3 -12.3 23.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.4 -3,-0.1 5,-0.2 -0.216 52.4 -68.6-102.6-162.1 8.5 -12.1 24.1 99 108 A P H > S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.862 128.8 46.6 -58.3 -39.4 6.3 -11.9 27.2 100 109 A S H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.969 115.9 39.6 -75.6 -53.6 7.0 -15.4 28.3 101 110 A A H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.907 114.9 55.7 -60.4 -39.5 10.8 -15.6 27.9 102 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.965 109.4 45.3 -56.6 -52.7 11.1 -12.0 29.3 103 112 A R H X S+ 0 0 74 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.837 113.2 51.4 -59.8 -34.2 9.2 -13.0 32.5 104 113 A K H X S+ 0 0 125 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.895 109.5 48.8 -72.9 -40.9 11.3 -16.1 32.8 105 114 A F H ><>S+ 0 0 13 -4,-3.0 5,-2.0 2,-0.2 3,-1.6 0.974 113.3 48.1 -57.1 -54.5 14.5 -14.2 32.5 106 115 A V H ><5S+ 0 0 13 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.900 104.1 58.3 -54.9 -46.9 13.3 -11.7 35.1 107 116 A D H 3<5S+ 0 0 123 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.728 111.7 45.0 -57.5 -19.9 12.2 -14.5 37.5 108 117 A E T <<5S- 0 0 95 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.114 125.7 -99.1-111.3 19.6 15.8 -15.6 37.4 109 118 A G T < 5S+ 0 0 40 -3,-2.5 2,-1.1 1,-0.2 -3,-0.2 0.301 81.3 130.4 86.9 -10.8 17.5 -12.2 37.8 110 119 A I < + 0 0 6 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.672 23.2 136.1 -80.2 103.3 18.3 -11.6 34.1 111 120 A K + 0 0 67 -2,-1.1 2,-0.3 -6,-0.1 -1,-0.2 0.369 48.5 48.5-135.3 0.6 16.9 -8.0 33.7 112 121 A T S > S- 0 0 60 1,-0.1 4,-1.5 -22,-0.1 5,-0.1 -0.820 85.9 -99.1-132.6 178.2 19.2 -5.7 31.7 113 122 A L H >> S+ 0 0 46 -2,-0.3 4,-2.4 1,-0.2 3,-0.8 0.978 122.6 53.9 -62.0 -52.4 21.2 -5.8 28.5 114 123 A E H 3> S+ 0 0 133 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.879 105.4 54.4 -45.0 -45.1 24.4 -6.7 30.4 115 124 A D H 3> S+ 0 0 30 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.879 106.3 50.8 -62.7 -37.6 22.6 -9.7 32.0 116 125 A L H << S+ 0 0 0 -4,-1.5 3,-0.5 -3,-0.8 -1,-0.2 0.935 112.5 46.9 -64.5 -42.6 21.7 -10.9 28.6 117 126 A R H >< S+ 0 0 125 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.927 109.6 53.3 -62.2 -44.9 25.4 -10.6 27.6 118 127 A K H 3< S+ 0 0 128 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 118.5 38.8 -56.6 -25.3 26.4 -12.3 30.9 119 128 A N T >< + 0 0 32 -4,-1.1 3,-2.8 -3,-0.5 -1,-0.3 -0.090 64.3 138.3-123.2 33.7 24.0 -15.1 29.8 120 129 A E G X S+ 0 0 95 -3,-1.4 3,-2.3 1,-0.3 -1,-0.1 0.853 70.3 70.6 -45.4 -37.3 24.4 -15.5 26.1 121 130 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.766 94.3 54.0 -52.0 -28.8 24.3 -19.3 26.8 122 131 A K G < S+ 0 0 92 -3,-2.8 2,-0.4 -6,-0.2 -1,-0.3 0.354 92.1 88.2 -93.2 6.0 20.6 -19.0 27.7 123 132 A L S < S- 0 0 5 -3,-2.3 -26,-0.0 -4,-0.2 -27,-0.0 -0.870 72.0-129.6-107.6 137.0 19.4 -17.3 24.4 124 133 A N > - 0 0 88 -2,-0.4 4,-2.5 -28,-0.1 5,-0.2 -0.130 40.7 -92.1 -68.2 178.3 18.4 -19.1 21.2 125 134 A H H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 126.4 49.2 -61.6 -47.5 19.9 -18.0 17.9 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 112.3 48.8 -61.9 -42.3 17.2 -15.5 17.1 127 136 A Q H > S+ 0 0 13 -31,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.939 107.8 54.1 -62.7 -46.7 17.5 -13.9 20.6 128 137 A R H X S+ 0 0 99 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.890 110.1 48.3 -52.7 -42.1 21.3 -13.7 20.3 129 138 A I H X S+ 0 0 10 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.856 108.4 53.1 -69.7 -35.5 20.8 -11.8 17.0 130 139 A G H < S+ 0 0 1 -4,-2.1 -35,-0.3 -35,-0.4 -2,-0.2 0.871 112.9 45.8 -64.5 -36.1 18.3 -9.5 18.6 131 140 A L H >< S+ 0 0 2 -4,-2.6 3,-2.6 2,-0.2 4,-0.3 0.988 108.8 54.7 -65.4 -59.2 20.9 -8.8 21.3 132 141 A K H 3< S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.773 122.7 28.0 -43.5 -37.2 23.7 -8.3 18.8 133 142 A Y T 3X S+ 0 0 17 -4,-1.7 4,-3.1 1,-0.1 5,-0.3 0.049 79.4 129.6-118.8 25.9 21.8 -5.7 16.9 134 143 A F H <> S+ 0 0 21 -3,-2.6 4,-1.0 1,-0.2 -1,-0.1 0.889 78.8 42.5 -49.6 -50.3 19.6 -4.3 19.8 135 144 A G H >> S+ 0 0 47 -4,-0.3 3,-1.2 1,-0.2 4,-0.6 0.978 114.9 48.2 -59.7 -59.4 20.6 -0.7 19.0 136 145 A D H >4 S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.879 106.0 57.0 -53.7 -44.7 20.3 -0.9 15.2 137 146 A F H 3< S+ 0 0 44 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.805 102.2 56.6 -61.9 -26.7 16.9 -2.7 15.3 138 147 A E H << S+ 0 0 94 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.620 91.4 94.0 -81.1 -8.5 15.4 0.2 17.3 139 148 A K S << S- 0 0 120 -3,-1.7 2,-0.2 -4,-0.6 -3,-0.0 -0.445 76.4-123.1 -76.8 152.5 16.5 2.7 14.6 140 149 A R - 0 0 144 -2,-0.1 40,-0.2 100,-0.0 -1,-0.1 -0.534 15.9-128.0 -87.2 163.5 14.2 3.8 11.8 141 150 A I E -A 179 0A 1 38,-2.8 38,-2.6 -2,-0.2 40,-0.1 -0.940 22.9-136.5-114.0 107.7 15.1 3.4 8.1 142 151 A P E >> -A 178 0A 54 0, 0.0 3,-2.1 0, 0.0 4,-1.7 -0.363 23.4-113.8 -66.2 141.7 14.7 6.7 6.3 143 152 A R H 3> S+ 0 0 73 34,-2.8 4,-2.9 1,-0.3 5,-0.3 0.822 113.4 65.8 -44.2 -40.4 12.9 6.3 2.9 144 153 A E H 3> S+ 0 0 152 33,-0.3 4,-1.2 1,-0.3 -1,-0.3 0.834 107.7 39.6 -55.4 -37.0 16.1 7.3 1.0 145 154 A E H <> S+ 0 0 36 -3,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.805 109.9 60.4 -81.0 -31.4 17.9 4.2 2.3 146 155 A M H X S+ 0 0 0 -4,-1.7 4,-3.7 2,-0.2 3,-0.3 0.941 106.9 46.1 -57.0 -46.5 14.8 2.1 1.8 147 156 A L H X S+ 0 0 61 -4,-2.9 4,-3.0 1,-0.3 -1,-0.2 0.898 110.2 54.4 -63.8 -39.4 14.9 3.0 -1.9 148 157 A Q H X S+ 0 0 69 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.3 0.787 112.9 42.6 -62.4 -29.0 18.6 2.2 -1.8 149 158 A M H X S+ 0 0 1 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.916 110.6 56.0 -83.0 -46.9 17.7 -1.2 -0.4 150 159 A Q H X S+ 0 0 44 -4,-3.7 4,-2.6 1,-0.2 5,-0.3 0.930 107.3 50.1 -40.8 -55.9 14.8 -1.6 -2.9 151 160 A D H X S+ 0 0 103 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.901 111.1 47.8 -58.3 -44.5 17.3 -1.1 -5.8 152 161 A I H X S+ 0 0 41 -4,-1.1 4,-2.0 1,-0.2 -1,-0.3 0.818 113.5 47.8 -66.3 -33.6 19.7 -3.6 -4.5 153 162 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 -3,-0.3 -2,-0.2 0.923 112.4 45.2 -79.2 -45.2 17.1 -6.3 -3.9 154 163 A L H X S+ 0 0 66 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.937 115.2 51.2 -60.9 -43.5 15.2 -6.0 -7.2 155 164 A N H X S+ 0 0 87 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.944 110.8 45.4 -58.2 -52.6 18.6 -6.0 -9.0 156 165 A E H X S+ 0 0 17 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.852 113.2 52.1 -61.9 -35.3 19.9 -9.1 -7.2 157 166 A V H >X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 3,-1.7 0.941 105.9 52.6 -66.3 -48.7 16.6 -10.9 -7.8 158 167 A K H >< S+ 0 0 126 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.962 103.7 59.3 -46.3 -58.0 16.7 -10.1 -11.6 159 168 A K H 3< S+ 0 0 116 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 107.5 46.8 -42.8 -27.2 20.2 -11.6 -11.6 160 169 A V H << S- 0 0 40 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.3 0.851 137.0 -16.0 -84.0 -39.2 18.6 -14.9 -10.3 161 170 A D X< - 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