==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 15-APR-11 3RJH . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.K.BATRA,W.A.BEARD,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.9 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.4 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 1 3 0 1 3 2 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 . 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 0 179 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -10.6 9.4 -15.6 12.8 2 11 A L T 3 + 0 0 77 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.907 360.0 11.6 -57.0 -45.5 10.5 -17.5 9.7 3 12 A N T 3> S+ 0 0 17 35,-0.2 4,-2.0 1,-0.1 -1,-0.3 -0.236 88.5 143.0-125.5 40.0 14.0 -15.9 9.9 4 13 A G H <> + 0 0 18 -3,-1.1 4,-2.5 1,-0.2 5,-0.3 0.848 65.0 56.8 -50.0 -44.3 13.6 -14.4 13.4 5 14 A G H > S+ 0 0 34 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 110.6 42.5 -55.5 -52.1 17.2 -15.1 14.4 6 15 A I H > S+ 0 0 5 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.849 114.8 48.6 -64.9 -39.7 18.7 -13.2 11.6 7 16 A T H X S+ 0 0 22 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.896 110.5 51.4 -71.6 -36.8 16.3 -10.2 11.7 8 17 A D H X S+ 0 0 110 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.942 110.8 49.6 -61.7 -44.8 16.7 -9.8 15.4 9 18 A M H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.899 112.1 47.6 -59.8 -42.4 20.5 -9.8 14.9 10 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.917 111.6 49.9 -67.2 -41.6 20.2 -7.2 12.2 11 20 A T H X S+ 0 0 52 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.888 110.9 49.3 -64.2 -40.3 17.9 -5.0 14.3 12 21 A E H X S+ 0 0 67 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.918 111.9 48.6 -65.8 -41.5 20.3 -5.2 17.3 13 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.892 111.0 52.4 -63.9 -38.1 23.2 -4.2 15.0 14 23 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.933 108.1 48.9 -63.5 -47.6 21.0 -1.4 13.7 15 24 A N H X S+ 0 0 64 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.888 110.0 53.1 -61.0 -37.6 20.2 -0.1 17.2 16 25 A F H X>S+ 0 0 23 -4,-2.1 4,-2.0 1,-0.2 5,-1.9 0.937 108.4 48.6 -62.7 -47.4 23.9 -0.2 18.0 17 26 A E H <5S+ 0 0 7 -4,-2.2 6,-3.1 3,-0.2 -1,-0.2 0.840 118.6 41.5 -62.3 -33.2 24.9 1.9 15.0 18 27 A K H <5S+ 0 0 74 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.949 124.4 31.5 -80.5 -51.5 22.2 4.4 15.8 19 28 A N H <5S+ 0 0 18 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.921 135.8 20.8 -73.9 -46.2 22.5 4.7 19.6 20 29 A V T <5S+ 0 0 13 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.916 132.0 35.1 -90.6 -52.3 26.3 4.1 20.0 21 30 A S S > - 0 0 29 -6,-3.1 4,-1.8 1,-0.2 3,-0.8 -0.758 27.5-179.4-116.8 78.0 25.8 6.4 12.2 24 33 A I H 3> S+ 0 0 79 -2,-0.6 4,-2.3 1,-0.3 5,-0.2 0.807 77.0 54.8 -51.2 -37.1 22.2 6.9 11.1 25 34 A H H 3> S+ 0 0 153 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.875 106.6 49.7 -69.8 -34.4 22.7 5.6 7.6 26 35 A K H <> S+ 0 0 118 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.867 108.7 56.9 -68.1 -32.6 24.2 2.3 8.8 27 36 A Y H X S+ 0 0 26 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.964 110.1 41.4 -60.3 -53.7 21.1 2.2 11.0 28 37 A N H X S+ 0 0 39 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.920 110.9 57.3 -62.3 -43.9 18.7 2.4 8.1 29 38 A A H X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.930 110.7 43.7 -52.4 -48.6 20.8 0.0 6.0 30 39 A Y H X S+ 0 0 23 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.906 112.8 50.9 -64.5 -43.2 20.5 -2.7 8.7 31 40 A R H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.864 110.4 50.3 -62.9 -35.3 16.8 -2.0 9.2 32 41 A K H X S+ 0 0 93 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.923 111.7 46.5 -69.0 -44.2 16.2 -2.3 5.5 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 22,-0.3 5,-0.2 0.927 113.0 50.9 -62.6 -43.7 18.1 -5.6 5.3 34 43 A A H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.910 112.6 46.5 -58.9 -44.5 16.2 -6.8 8.3 35 44 A S H X S+ 0 0 12 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.942 111.7 48.8 -65.2 -49.5 12.9 -5.8 6.7 36 45 A V H < S+ 0 0 21 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.861 114.8 46.0 -61.9 -34.7 13.6 -7.4 3.3 37 46 A I H >< S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.895 104.7 63.1 -73.0 -39.9 14.7 -10.6 5.0 38 47 A A H 3< S+ 0 0 64 -4,-2.3 -36,-0.2 1,-0.3 -2,-0.2 0.799 109.2 38.9 -55.5 -33.0 11.7 -10.5 7.3 39 48 A K T 3< S+ 0 0 132 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.509 84.2 118.7 -98.4 -2.5 9.3 -10.8 4.3 40 49 A Y < - 0 0 46 -3,-1.1 4,-0.1 -4,-0.4 -37,-0.1 -0.473 63.9-140.2 -61.6 127.2 11.4 -13.3 2.4 41 50 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.184 72.9 72.0 -79.2 16.7 9.2 -16.4 2.1 42 51 A H S S- 0 0 103 -39,-0.0 2,-0.9 0, 0.0 -2,-0.1 -0.968 88.0-107.2-134.9 152.0 11.9 -19.0 2.7 43 52 A K - 0 0 157 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.652 49.3-121.6 -75.4 106.7 14.1 -20.1 5.7 44 53 A I - 0 0 6 -2,-0.9 3,-0.1 1,-0.1 -1,-0.1 -0.256 31.2-176.8 -55.3 130.5 17.4 -18.6 4.7 45 54 A K + 0 0 156 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.591 61.2 3.4-105.9 -15.7 20.2 -21.1 4.4 46 55 A S > - 0 0 36 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.993 66.0-108.8-164.2 163.8 23.2 -18.9 3.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.880 117.2 58.5 -63.5 -37.7 24.6 -15.4 3.3 48 57 A A H > S+ 0 0 67 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.951 106.2 46.5 -56.0 -53.0 24.9 -16.0 -0.4 49 58 A E H >4 S+ 0 0 40 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.881 115.5 48.7 -57.3 -38.0 21.2 -16.8 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.5 1,-0.2 -2,-0.2 0.877 98.8 65.1 -70.7 -38.5 20.6 -13.7 1.4 51 60 A K H 3< S+ 0 0 107 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.672 88.5 71.8 -59.8 -15.4 22.8 -11.4 -0.7 52 61 A K T << S+ 0 0 183 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.717 82.5 85.3 -73.4 -19.5 20.4 -11.9 -3.5 53 62 A L S X S- 0 0 27 -3,-2.5 3,-1.4 -4,-0.2 2,-0.4 -0.591 93.9-105.2 -82.1 144.0 17.9 -9.7 -1.7 54 63 A P T 3 S+ 0 0 92 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.546 106.1 29.9 -72.5 125.1 18.2 -5.9 -2.2 55 64 A G T 3 S+ 0 0 37 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.241 95.8 102.8 109.9 -11.8 19.8 -4.2 0.8 56 65 A V < + 0 0 8 -3,-1.4 -1,-0.3 -6,-0.2 2,-0.1 -0.927 50.1 170.4-106.9 114.5 21.8 -7.2 1.8 57 66 A G > - 0 0 32 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 -0.296 51.1 -70.3-108.6-163.5 25.5 -6.8 0.7 58 67 A T H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.854 126.0 52.6 -58.5 -40.0 28.8 -8.6 1.3 59 68 A K H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.955 112.4 40.7 -65.5 -52.4 29.0 -7.5 5.0 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.854 111.5 60.1 -66.0 -31.1 25.6 -8.7 6.2 61 70 A A H X S+ 0 0 8 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 106.7 45.5 -61.6 -43.8 26.0 -11.8 4.1 62 71 A E H X S+ 0 0 115 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.914 112.3 51.2 -65.8 -41.4 29.1 -12.8 6.1 63 72 A K H X S+ 0 0 26 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.858 108.7 51.7 -64.3 -35.4 27.4 -12.0 9.3 64 73 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.899 109.1 49.4 -68.3 -40.7 24.5 -14.2 8.4 65 74 A D H X S+ 0 0 69 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.869 111.6 49.9 -65.8 -36.4 26.8 -17.1 7.6 66 75 A E H X>S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 5,-0.7 0.960 113.4 45.6 -64.9 -50.2 28.5 -16.6 10.9 67 76 A F H X5S+ 0 0 45 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.907 111.7 51.8 -58.2 -46.1 25.1 -16.6 12.7 68 77 A L H <5S+ 0 0 69 -4,-3.0 -1,-0.2 2,-0.1 -2,-0.2 0.882 115.5 42.4 -59.8 -39.6 23.8 -19.6 10.8 69 78 A A H <5S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.995 132.5 15.9 -70.7 -67.5 27.0 -21.6 11.7 70 79 A T H <5S- 0 0 89 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.1 0.918 98.3-119.8 -74.9 -48.2 27.5 -20.7 15.4 71 80 A G S <> - 0 0 3 -2,-0.3 4,-2.2 1,-0.1 3,-0.9 -0.961 11.7-156.7-127.6 114.7 27.5 -12.9 16.2 74 83 A R H 3> S+ 0 0 165 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.891 97.1 60.2 -53.6 -43.4 30.8 -12.2 17.9 75 84 A K H 3> S+ 0 0 87 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.880 111.4 41.5 -53.6 -37.1 30.6 -8.5 17.0 76 85 A L H <> S+ 0 0 2 -3,-0.9 4,-2.5 2,-0.2 -1,-0.3 0.819 106.5 61.5 -79.3 -33.3 27.4 -8.5 19.0 77 86 A E H X S+ 0 0 75 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.945 110.4 42.8 -55.1 -48.2 28.9 -10.7 21.8 78 87 A K H >X S+ 0 0 159 -4,-2.6 4,-2.2 2,-0.2 3,-1.7 0.945 110.3 53.1 -63.3 -53.8 31.4 -7.9 22.4 79 88 A I H 3< S+ 0 0 16 -4,-1.8 7,-0.3 1,-0.3 -1,-0.2 0.886 106.9 55.3 -50.8 -40.7 29.0 -5.0 22.1 80 89 A R H 3< S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.718 110.2 45.5 -65.9 -23.2 26.9 -6.7 24.8 81 90 A Q H << S+ 0 0 149 -3,-1.7 2,-0.7 -4,-0.7 -1,-0.2 0.785 85.3 98.5 -90.4 -32.0 29.9 -6.8 27.1 82 91 A D X - 0 0 72 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 -0.435 64.0-155.4 -61.2 105.3 31.0 -3.3 26.6 83 92 A D H > S+ 0 0 125 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.813 90.1 52.1 -53.3 -35.8 29.5 -1.5 29.7 84 93 A T H > S+ 0 0 57 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.965 111.5 45.0 -68.3 -50.4 29.5 1.9 28.0 85 94 A S H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.941 114.3 49.2 -56.6 -50.5 27.7 0.6 24.8 86 95 A S H X S+ 0 0 44 -4,-2.7 4,-2.5 -7,-0.3 -1,-0.2 0.873 112.4 48.6 -58.0 -39.3 25.2 -1.3 26.9 87 96 A S H X S+ 0 0 14 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.937 111.7 48.2 -67.6 -46.5 24.6 1.7 29.1 88 97 A I H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.938 111.7 51.6 -58.7 -45.8 24.1 4.0 26.1 89 98 A N H < S+ 0 0 40 -4,-3.1 4,-0.4 -5,-0.2 -2,-0.2 0.936 110.3 48.6 -56.2 -50.4 21.7 1.5 24.6 90 99 A F H >< S+ 0 0 45 -4,-2.5 3,-2.4 1,-0.2 4,-0.3 0.961 109.2 50.2 -56.1 -57.1 19.7 1.3 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.818 99.9 64.6 -53.0 -35.5 19.3 5.0 28.3 92 101 A T T 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.642 88.7 72.0 -65.3 -10.9 18.1 5.6 24.7 93 102 A R T < S+ 0 0 128 -3,-2.4 2,-0.5 -4,-0.4 -1,-0.3 0.648 76.8 89.4 -78.4 -14.9 15.1 3.5 25.6 94 103 A V S X S- 0 0 1 -3,-2.0 3,-2.1 -4,-0.3 37,-0.1 -0.720 93.4-113.3 -81.1 126.6 13.7 6.3 27.7 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.401 103.5 29.9 -61.3 133.7 11.6 8.5 25.4 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.190 97.0 101.0 102.1 -17.9 13.3 11.9 25.0 97 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.893 50.3 177.6-105.7 109.6 16.8 10.5 25.4 98 107 A G > - 0 0 31 -2,-0.7 4,-2.4 -3,-0.1 5,-0.2 -0.232 49.4 -78.9 -95.4-170.1 18.6 10.1 22.1 99 108 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.867 127.8 50.5 -59.0 -38.9 22.2 8.9 21.3 100 109 A S H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.982 114.0 41.0 -65.0 -57.9 23.7 12.3 22.2 101 110 A A H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 114.1 54.9 -58.6 -39.1 22.0 12.7 25.6 102 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.929 109.5 45.4 -60.8 -46.6 22.6 9.1 26.4 103 112 A R H X S+ 0 0 83 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.896 113.6 51.4 -63.8 -39.3 26.3 9.3 25.8 104 113 A K H < S+ 0 0 125 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.916 110.3 47.7 -64.5 -45.4 26.4 12.6 27.8 105 114 A F H ><>S+ 0 0 11 -4,-2.9 5,-2.0 1,-0.2 3,-1.9 0.938 111.0 50.3 -61.5 -48.6 24.6 11.1 30.8 106 115 A V H ><5S+ 0 0 9 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.857 105.3 57.2 -59.0 -35.1 26.8 8.0 30.8 107 116 A D T 3<5S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.587 104.8 54.3 -71.7 -8.2 29.9 10.3 30.7 108 117 A E T < 5S- 0 0 82 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.373 124.3-104.4-102.1 -1.0 28.4 11.8 33.9 109 118 A G T < 5S+ 0 0 44 -3,-1.6 2,-1.0 1,-0.3 -3,-0.2 0.414 85.3 126.3 92.1 -3.1 28.2 8.5 35.7 110 119 A I < + 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.800 20.8 135.9 -89.9 104.0 24.5 8.3 35.2 111 120 A K + 0 0 77 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.297 48.7 55.9-136.6 13.0 24.0 4.9 33.5 112 121 A T S > S- 0 0 55 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.920 84.1-103.8-141.3 168.9 21.1 3.1 35.1 113 122 A L H > S+ 0 0 46 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.895 123.2 52.1 -58.1 -40.8 17.4 3.5 35.8 114 123 A E H > S+ 0 0 137 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.898 107.8 50.8 -63.0 -42.5 18.3 4.2 39.4 115 124 A D H 4 S+ 0 0 21 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.880 109.7 51.1 -63.4 -38.5 20.8 6.8 38.4 116 125 A L H >< S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.853 106.3 54.7 -67.8 -36.2 18.2 8.6 36.3 117 126 A R H >< S+ 0 0 161 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.847 110.4 43.9 -67.8 -35.1 15.6 8.6 39.1 118 127 A K T 3< S+ 0 0 137 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.480 116.4 48.6 -88.8 -2.2 17.9 10.4 41.5 119 128 A N T X + 0 0 30 -3,-0.5 3,-3.5 -4,-0.5 -1,-0.2 0.059 67.1 129.4-121.6 21.4 19.1 12.8 38.8 120 129 A E G X + 0 0 69 -3,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.788 65.1 69.5 -47.1 -32.2 15.6 13.7 37.6 121 130 A D G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.751 92.1 60.5 -60.4 -22.7 16.6 17.4 37.9 122 131 A K G < S+ 0 0 89 -3,-3.5 2,-0.4 -6,-0.2 -1,-0.3 0.331 91.3 88.0 -87.9 8.7 19.0 16.8 35.0 123 132 A L S < S- 0 0 14 -3,-2.1 -26,-0.0 -4,-0.1 2,-0.0 -0.862 72.5-129.7-112.0 141.6 16.2 15.9 32.6 124 133 A N > - 0 0 88 -2,-0.4 4,-2.3 -28,-0.1 5,-0.2 -0.236 44.7 -88.4 -75.3 176.4 14.1 18.1 30.4 125 134 A H H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.905 125.5 49.4 -53.7 -51.4 10.3 17.7 30.5 126 135 A H H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 112.7 47.9 -54.5 -49.9 10.0 15.0 27.8 127 136 A Q H > S+ 0 0 11 -31,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 107.0 57.0 -60.3 -40.3 12.7 12.9 29.4 128 137 A R H X S+ 0 0 99 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 111.3 42.8 -58.1 -44.4 11.1 13.3 32.8 129 138 A I H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 110.8 54.9 -70.4 -42.1 7.8 11.9 31.5 130 139 A G H < S+ 0 0 1 -4,-2.7 -35,-0.2 -35,-0.4 -1,-0.2 0.881 111.8 44.9 -57.5 -38.1 9.6 9.1 29.6 131 140 A L H >< S+ 0 0 11 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.912 108.7 57.0 -71.0 -43.1 11.3 8.0 32.8 132 141 A K H 3< S+ 0 0 128 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.890 120.8 28.1 -54.8 -44.7 8.1 8.2 34.8 133 142 A Y T 3X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.030 82.9 128.4-107.6 25.9 6.3 5.8 32.5 134 143 A F H <> S+ 0 0 25 -3,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.894 75.6 44.6 -47.6 -50.5 9.3 3.9 31.4 135 144 A G H >> S+ 0 0 36 -4,-0.3 3,-1.7 -3,-0.2 4,-0.8 0.968 113.5 47.8 -61.0 -56.2 7.8 0.5 32.2 136 145 A D H >4 S+ 0 0 37 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.905 106.1 58.5 -51.6 -47.9 4.4 1.1 30.7 137 146 A F H 3< S+ 0 0 43 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.651 100.5 58.1 -60.5 -15.3 5.9 2.5 27.4 138 147 A E H << S+ 0 0 96 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.743 91.4 91.3 -83.6 -25.5 7.7 -0.8 27.0 139 148 A K S << S- 0 0 102 -3,-1.6 2,-0.1 -4,-0.8 -3,-0.0 -0.389 76.0-128.0 -72.2 146.5 4.4 -2.7 27.0 140 149 A R - 0 0 139 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.396 19.3-121.4 -85.2 168.6 2.5 -3.4 23.8 141 150 A I E -A 179 0A 0 38,-2.1 38,-2.0 -2,-0.1 40,-0.1 -0.956 21.0-128.7-116.7 118.7 -1.2 -2.5 23.4 142 151 A P E >> -A 178 0A 60 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.355 21.3-122.1 -62.7 144.9 -3.7 -5.2 22.6 143 152 A R H 3> S+ 0 0 64 34,-2.4 4,-2.5 1,-0.3 5,-0.2 0.900 113.2 62.4 -55.3 -38.2 -5.8 -4.4 19.6 144 153 A E H 3> S+ 0 0 145 33,-0.3 4,-1.4 1,-0.3 -1,-0.3 0.904 106.0 44.8 -53.2 -43.2 -8.8 -4.8 21.8 145 154 A E H <> S+ 0 0 28 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.805 108.2 57.5 -69.6 -32.1 -7.6 -1.9 23.9 146 155 A M H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.895 104.1 53.6 -64.1 -38.8 -6.8 0.1 20.8 147 156 A L H X S+ 0 0 82 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.899 108.4 48.2 -63.2 -41.6 -10.4 -0.3 19.8 148 157 A Q H X S+ 0 0 62 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.885 112.2 49.4 -65.3 -40.5 -11.6 1.1 23.2 149 158 A M H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.931 108.5 53.1 -65.0 -44.7 -9.2 4.0 22.8 150 159 A Q H X S+ 0 0 54 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.941 108.3 51.1 -54.1 -49.9 -10.4 4.7 19.3 151 160 A D H X S+ 0 0 101 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.915 111.3 47.0 -55.6 -47.5 -14.0 4.8 20.6 152 161 A I H X S+ 0 0 33 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.944 115.4 45.0 -61.7 -49.3 -13.1 7.3 23.3 153 162 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.934 114.8 46.3 -62.9 -48.2 -11.1 9.6 21.0 154 163 A L H X S+ 0 0 58 -4,-3.2 4,-3.0 -5,-0.2 -2,-0.2 0.949 115.0 46.8 -61.6 -46.4 -13.6 9.6 18.1 155 164 A N H X S+ 0 0 55 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.852 113.9 47.0 -64.2 -36.2 -16.5 10.2 20.5 156 165 A E H X S+ 0 0 21 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.844 113.7 48.7 -74.4 -33.7 -14.8 13.0 22.4 157 166 A V H >X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.2 3,-0.6 0.935 108.6 53.2 -69.6 -43.9 -13.6 14.6 19.1 158 167 A K H 3< S+ 0 0 132 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.890 106.4 55.3 -56.5 -38.9 -17.2 14.4 17.8 159 168 A K H 3< S+ 0 0 140 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.809 105.1 51.1 -65.1 -32.7 -18.3 16.2 20.9 160 169 A V H << S- 0 0 39 -4,-1.2 2,-0.2 -3,-0.6 -1,-0.2 0.922 138.0 -18.5 -70.9 -44.1 -16.0 19.1 20.3 161 170 A D >< - 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