==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 13-MAY-12 4F5N . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,S.H.WILSON . 323 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.0 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 . 30 9.3 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 . 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 . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 3 0 2 1 3 0 1 0 2 0 1 0 0 1 0 1 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 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 8 A Q >> 0 0 187 0, 0.0 3,-2.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 89.9 20.1 -16.1 9.8 2 9 A E H >> + 0 0 118 1,-0.3 4,-2.5 2,-0.2 3,-0.6 0.815 360.0 55.5 -31.6 -69.9 22.2 -14.6 12.5 3 10 A T H 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.709 95.9 73.3 -47.5 -23.1 24.8 -17.3 13.0 4 11 A L H <4 S- 0 0 40 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.984 131.5 -18.5 -54.1 -68.7 25.6 -17.0 9.2 5 12 A N H XX S+ 0 0 14 -3,-0.6 4,-2.5 -4,-0.5 3,-0.6 0.053 96.2 127.6-128.4 25.8 27.4 -13.7 9.3 6 13 A G H 3X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.795 71.4 56.9 -55.9 -34.1 26.3 -12.4 12.7 7 14 A G H 3> S+ 0 0 33 -4,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.916 111.3 42.9 -64.1 -43.1 29.8 -11.7 13.9 8 15 A I H <> S+ 0 0 3 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.947 115.3 47.3 -67.6 -48.6 30.5 -9.5 10.9 9 16 A T H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.896 112.6 49.9 -65.2 -38.2 27.1 -7.7 11.0 10 17 A D H X S+ 0 0 87 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.926 110.9 51.1 -60.3 -46.8 27.5 -7.1 14.8 11 18 A M H X S+ 0 0 6 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.922 111.8 45.8 -55.4 -49.3 31.0 -5.7 14.2 12 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.865 111.5 52.4 -67.8 -35.1 29.8 -3.3 11.5 13 20 A T H X S+ 0 0 62 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.905 109.5 48.5 -66.5 -42.0 26.9 -2.2 13.6 14 21 A E H X S+ 0 0 45 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.909 111.8 49.9 -62.6 -42.8 29.1 -1.4 16.6 15 22 A L H X S+ 0 0 16 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.909 108.9 53.2 -60.8 -41.4 31.4 0.5 14.3 16 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.939 107.3 51.3 -61.0 -44.1 28.4 2.4 12.9 17 24 A N H X S+ 0 0 51 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.904 109.0 49.5 -62.5 -42.0 27.4 3.4 16.4 18 25 A F H X>S+ 0 0 17 -4,-2.1 4,-2.2 1,-0.2 5,-2.2 0.899 109.8 52.1 -64.1 -38.6 30.8 4.7 17.3 19 26 A E H <5S+ 0 0 29 -4,-2.2 6,-2.8 3,-0.2 5,-0.4 0.933 117.1 39.0 -61.8 -44.0 30.9 6.8 14.1 20 27 A K H <5S+ 0 0 64 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.958 127.2 30.8 -71.0 -48.7 27.6 8.3 14.8 21 28 A N H <5S+ 0 0 9 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.785 133.3 21.5 -88.4 -30.0 27.9 8.9 18.6 22 29 A V T <5S+ 0 0 22 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.853 130.5 34.5-105.1 -53.8 31.6 9.5 19.2 23 30 A S S > + 0 0 27 -6,-2.8 4,-2.1 1,-0.1 3,-0.8 -0.785 24.6 177.7-119.1 82.9 30.4 11.2 11.3 26 33 A I H 3> S+ 0 0 79 -2,-0.5 4,-2.2 1,-0.3 -1,-0.1 0.811 77.2 55.3 -62.6 -30.7 26.9 10.6 10.3 27 34 A H H 3> S+ 0 0 155 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.820 108.5 47.4 -74.8 -29.7 27.8 9.5 6.7 28 35 A K H <> S+ 0 0 122 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.848 108.3 56.6 -75.1 -37.5 30.2 6.8 8.0 29 36 A Y H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.959 110.9 43.7 -51.5 -51.7 27.5 5.7 10.4 30 37 A N H X S+ 0 0 67 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.855 109.9 55.9 -68.3 -32.8 25.2 5.2 7.4 31 38 A A H X S+ 0 0 48 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.935 110.3 45.3 -61.7 -45.2 27.9 3.5 5.4 32 39 A Y H X S+ 0 0 26 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.891 112.5 50.7 -67.6 -38.7 28.5 0.9 8.1 33 40 A R H X S+ 0 0 123 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.918 109.7 51.4 -63.2 -42.7 24.7 0.4 8.5 34 41 A K H X S+ 0 0 129 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.926 112.0 46.0 -59.2 -47.5 24.4 -0.1 4.7 35 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 22,-0.3 -2,-0.2 0.914 112.7 50.3 -61.0 -45.1 27.2 -2.7 4.7 36 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.903 112.4 48.4 -59.7 -41.3 25.7 -4.5 7.8 37 44 A S H X S+ 0 0 54 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.929 111.2 46.5 -69.5 -46.2 22.3 -4.6 6.1 38 45 A V H < S+ 0 0 34 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.895 115.4 48.4 -64.9 -36.8 23.5 -5.9 2.7 39 46 A I H >< S+ 0 0 1 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.873 104.3 59.3 -69.5 -37.5 25.6 -8.5 4.5 40 47 A A H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.787 108.3 46.6 -59.3 -27.5 22.7 -9.5 6.7 41 48 A K T 3< S+ 0 0 115 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.540 83.3 112.2 -92.1 -10.6 20.7 -10.4 3.5 42 49 A Y < - 0 0 50 -3,-1.0 4,-0.1 -4,-0.5 -37,-0.1 -0.554 62.3-147.5 -70.4 116.8 23.6 -12.4 2.0 43 50 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.220 70.7 68.9 -74.2 13.4 22.4 -16.0 2.0 44 51 A H S S- 0 0 109 -39,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.963 88.1-105.6-133.8 151.6 25.9 -17.5 2.5 45 52 A K - 0 0 122 -2,-0.3 -40,-0.1 1,-0.1 2,-0.1 -0.655 46.3-123.8 -73.0 111.4 28.6 -17.6 5.2 46 53 A I - 0 0 3 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.347 28.5-176.2 -61.5 131.4 31.2 -15.2 4.0 47 54 A K + 0 0 174 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.519 63.0 11.8-107.5 -11.8 34.7 -16.7 3.7 48 55 A S > - 0 0 41 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.992 67.9-112.9-162.2 158.1 36.7 -13.6 2.8 49 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 15,-0.1 0.878 115.9 58.7 -59.6 -39.4 36.8 -9.9 2.5 50 57 A A H > S+ 0 0 61 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.885 103.6 52.0 -59.1 -38.9 37.0 -10.2 -1.3 51 58 A E H >4 S+ 0 0 37 1,-0.2 3,-0.7 -3,-0.2 -1,-0.2 0.904 111.6 46.1 -64.6 -41.5 33.7 -12.1 -1.3 52 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 6,-0.2 0.843 100.4 67.7 -70.2 -33.0 32.0 -9.4 0.7 53 60 A K H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.740 85.6 71.3 -62.5 -20.9 33.4 -6.6 -1.4 54 61 A K T << S+ 0 0 171 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.721 83.3 87.9 -66.0 -19.6 31.3 -7.8 -4.3 55 62 A L S X S- 0 0 27 -3,-2.2 3,-1.8 -4,-0.2 2,-0.3 -0.606 92.8-106.6 -83.8 139.6 28.2 -6.6 -2.5 56 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.499 107.7 30.5 -66.0 123.1 27.2 -2.9 -3.0 57 64 A G T 3 S+ 0 0 32 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.135 96.2 100.3 114.1 -17.4 28.0 -0.9 0.1 58 65 A V < + 0 0 7 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.1 -0.909 51.9 169.7-102.5 118.9 31.0 -3.1 1.0 59 66 A G > - 0 0 30 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 -0.287 48.2 -67.2-114.9-162.4 34.3 -1.5 0.0 60 67 A T H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.907 125.2 45.3 -57.2 -49.1 38.1 -1.8 0.5 61 68 A K H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 113.4 47.4 -70.0 -40.9 38.3 -1.0 4.2 62 69 A I H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 109.3 55.9 -68.0 -34.8 35.3 -3.1 5.3 63 70 A A H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 108.3 48.4 -58.4 -45.4 36.8 -6.0 3.3 64 71 A E H X S+ 0 0 116 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.895 110.3 51.1 -59.5 -44.0 40.0 -5.6 5.2 65 72 A K H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.886 108.9 51.4 -61.9 -38.2 38.1 -5.5 8.5 66 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.884 107.5 52.2 -68.8 -37.5 36.3 -8.7 7.5 67 74 A D H X S+ 0 0 76 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.932 111.6 47.1 -62.3 -43.0 39.6 -10.4 6.7 68 75 A E H X S+ 0 0 65 -4,-2.2 4,-2.3 1,-0.2 6,-0.5 0.927 113.8 47.6 -63.7 -44.2 40.9 -9.5 10.2 69 76 A F H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 112.8 48.2 -64.5 -42.2 37.7 -10.6 11.8 70 77 A L H < S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.6 43.6 -67.4 -31.8 37.7 -13.9 10.0 71 78 A A H < S+ 0 0 88 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.843 132.6 16.3 -82.8 -33.4 41.3 -14.6 10.8 72 79 A T H < S- 0 0 82 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.519 94.1-120.0-121.5 -12.8 41.4 -13.6 14.4 73 80 A G S < S+ 0 0 52 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.606 86.7 49.9 78.5 11.5 37.7 -13.5 15.5 74 81 A K S S- 0 0 98 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.3 -0.964 77.4-114.2-161.2 175.0 37.9 -9.8 16.5 75 82 A L > - 0 0 6 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.988 15.9-147.5-122.0 123.7 38.9 -6.3 15.3 76 83 A R H > S+ 0 0 192 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.908 99.1 51.9 -52.8 -47.0 41.8 -4.6 17.2 77 84 A K H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 112.8 44.8 -60.2 -38.7 40.2 -1.1 16.6 78 85 A L H > S+ 0 0 4 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.908 109.9 53.7 -74.3 -41.4 36.9 -2.2 18.0 79 86 A E H X S+ 0 0 63 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.910 111.4 49.1 -57.5 -39.9 38.4 -4.0 21.0 80 87 A K H < S+ 0 0 130 -4,-2.3 4,-0.4 -5,-0.2 3,-0.4 0.935 111.0 45.3 -67.2 -48.8 40.2 -0.8 21.8 81 88 A I H >< S+ 0 0 44 -4,-2.1 3,-1.1 1,-0.2 7,-0.3 0.880 108.6 59.1 -67.5 -33.1 37.3 1.6 21.6 82 89 A R H 3< S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.867 108.3 44.6 -58.5 -38.5 35.1 -0.8 23.6 83 90 A Q T 3< S+ 0 0 127 -4,-1.2 2,-0.7 -3,-0.4 -1,-0.3 0.466 89.3 108.5 -88.2 -0.6 37.6 -0.6 26.5 84 91 A D <> - 0 0 63 -3,-1.1 4,-3.1 -4,-0.4 5,-0.3 -0.682 59.2-156.0 -81.9 113.0 37.8 3.1 26.1 85 92 A D H > S+ 0 0 82 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.909 90.9 43.4 -55.0 -50.5 36.1 4.7 29.1 86 93 A T H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 118.1 44.1 -63.9 -47.5 35.3 8.0 27.4 87 94 A S H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.927 114.7 47.3 -65.1 -45.9 34.2 6.5 24.1 88 95 A S H X S+ 0 0 41 -4,-3.1 4,-2.2 -7,-0.3 -1,-0.2 0.870 113.4 49.6 -67.1 -35.2 32.1 3.8 25.6 89 96 A S H X S+ 0 0 12 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.905 111.3 47.9 -68.5 -43.7 30.4 6.2 28.0 90 97 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.965 112.6 49.7 -60.3 -49.6 29.6 8.7 25.2 91 98 A N H < S+ 0 0 31 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.915 112.6 48.3 -54.4 -45.8 28.2 5.9 23.1 92 99 A F H >< S+ 0 0 51 -4,-2.2 3,-2.3 1,-0.2 4,-0.2 0.915 103.6 57.7 -63.5 -47.8 26.1 4.6 26.0 93 100 A L H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.803 94.0 68.3 -57.7 -29.5 24.5 8.0 27.0 94 101 A T T 3< S+ 0 0 24 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.607 80.5 78.1 -67.6 -8.8 23.1 8.4 23.5 95 102 A R T < S+ 0 0 120 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.683 76.0 90.1 -71.4 -14.4 20.8 5.5 24.2 96 103 A V S X S- 0 0 1 -3,-2.0 3,-1.9 -4,-0.2 2,-0.2 -0.720 91.9-116.2 -79.9 126.5 18.8 8.1 26.2 97 104 A S T 3 S+ 0 0 41 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.459 103.5 26.9 -62.8 128.6 16.2 9.7 24.0 98 105 A G T 3 S+ 0 0 33 -2,-0.2 2,-0.8 1,-0.2 -1,-0.3 0.117 98.2 100.0 101.2 -22.4 17.0 13.4 23.7 99 106 A I < + 0 0 6 -3,-1.9 -1,-0.2 -6,-0.2 -3,-0.1 -0.891 51.0 172.1 -95.9 110.0 20.7 12.9 24.3 100 107 A G > - 0 0 29 -2,-0.8 4,-2.7 -3,-0.1 5,-0.2 -0.311 53.4 -74.8-100.0-169.0 22.6 13.0 21.0 101 108 A P H > S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.841 129.9 51.6 -59.4 -34.2 26.3 13.0 20.3 102 109 A S H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.968 114.1 40.5 -69.2 -52.5 26.7 16.6 21.3 103 110 A A H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 114.1 54.5 -60.8 -42.2 25.0 16.3 24.7 104 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.921 109.6 46.8 -60.0 -44.6 26.6 12.9 25.4 105 112 A R H X S+ 0 0 73 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.926 112.7 49.5 -62.2 -44.6 30.1 14.4 24.8 106 113 A K H X S+ 0 0 139 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.938 112.1 48.3 -62.4 -46.2 29.3 17.4 27.0 107 114 A F H ><>S+ 0 0 10 -4,-3.0 5,-2.7 1,-0.2 3,-0.6 0.947 113.0 46.9 -56.6 -50.6 28.0 15.2 29.8 108 115 A V H ><5S+ 0 0 11 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.865 105.7 59.3 -65.5 -35.4 31.1 12.8 29.7 109 116 A D H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 107.9 46.9 -59.0 -34.0 33.5 15.8 29.6 110 117 A E T <<5S- 0 0 88 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.119 128.0 -95.9 -98.9 21.9 32.1 16.9 33.0 111 118 A G T < 5S+ 0 0 46 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.638 82.9 131.9 79.6 16.4 32.2 13.5 34.5 112 119 A I < + 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.881 18.8 142.4-102.5 105.1 28.6 12.4 33.9 113 120 A K + 0 0 64 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.592 48.6 44.6-122.5 -19.0 28.9 8.9 32.4 114 121 A T S > S- 0 0 51 1,-0.1 4,-1.9 -22,-0.1 5,-0.1 -0.761 82.8-102.8-129.8 171.2 26.1 6.6 33.6 115 122 A L H > S+ 0 0 24 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.868 123.1 56.6 -63.3 -33.4 22.4 6.6 34.1 116 123 A E H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 105.9 48.9 -61.9 -44.5 23.1 7.0 37.8 117 124 A D H 4 S+ 0 0 35 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.861 112.2 49.1 -63.3 -37.0 25.1 10.2 37.1 118 125 A L H >< S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.931 108.0 53.4 -67.3 -45.3 22.2 11.4 34.9 119 126 A R H >< S+ 0 0 146 -4,-3.0 3,-0.6 1,-0.3 -2,-0.2 0.845 108.9 51.3 -54.2 -36.4 19.7 10.6 37.7 120 127 A K T 3< S+ 0 0 157 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.527 109.9 50.8 -78.2 -9.4 21.9 12.7 40.0 121 128 A N T X + 0 0 37 -3,-1.7 3,-2.7 -4,-0.3 4,-0.3 -0.167 56.6 145.9-129.1 43.7 21.9 15.7 37.7 122 129 A E G X S+ 0 0 128 -3,-0.6 3,-2.0 1,-0.3 -1,-0.1 0.805 70.4 66.4 -48.0 -37.1 18.3 16.5 36.7 123 130 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.723 98.7 52.7 -60.5 -22.3 19.1 20.2 36.5 124 131 A K G < S+ 0 0 93 -3,-2.7 2,-0.4 -6,-0.2 -1,-0.3 0.421 94.9 86.5 -96.7 0.7 21.4 19.6 33.6 125 132 A L S < S- 0 0 6 -3,-2.0 2,-0.1 -4,-0.3 -26,-0.0 -0.827 70.2-136.6-101.9 139.3 18.7 17.7 31.5 126 133 A N > - 0 0 82 -2,-0.4 4,-2.4 -28,-0.1 5,-0.2 -0.289 39.4 -90.7 -80.1 176.6 16.2 19.3 29.2 127 134 A H H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.925 126.4 46.9 -56.8 -49.3 12.5 18.2 29.2 128 135 A H H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.941 112.0 51.0 -56.6 -49.7 13.0 15.6 26.5 129 136 A Q H > S+ 0 0 14 -31,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 106.3 54.5 -60.3 -38.0 16.1 14.2 28.1 130 137 A R H X S+ 0 0 92 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.916 111.2 45.6 -61.6 -42.8 14.3 13.8 31.5 131 138 A I H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.912 110.4 53.3 -65.2 -44.1 11.6 11.8 29.8 132 139 A G H < S+ 0 0 0 -4,-2.8 -35,-0.3 -35,-0.4 -1,-0.2 0.863 112.2 45.8 -58.0 -36.2 14.1 9.7 27.9 133 140 A L H >< S+ 0 0 28 -4,-2.0 3,-1.6 -5,-0.2 4,-0.2 0.918 109.0 55.3 -74.1 -42.9 15.8 8.9 31.2 134 141 A K H 3< S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.3 3,-0.2 0.868 120.3 30.3 -57.8 -39.8 12.6 8.2 33.0 135 142 A Y T 3X S+ 0 0 11 -4,-2.1 4,-2.9 1,-0.2 -1,-0.3 -0.058 80.2 134.5-111.4 33.1 11.6 5.6 30.4 136 143 A F H <> S+ 0 0 27 -3,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.909 78.7 34.5 -50.5 -53.4 15.1 4.4 29.5 137 144 A G H >> S+ 0 0 41 -4,-0.2 3,-0.9 -3,-0.2 4,-0.5 0.912 116.2 53.9 -70.9 -43.6 14.3 0.7 29.6 138 145 A D H >4 S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.901 104.2 56.1 -57.7 -42.9 10.7 0.9 28.4 139 146 A F H 3< S+ 0 0 39 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.729 103.1 55.9 -66.0 -20.8 11.8 2.8 25.3 140 147 A E H << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.6 2,-0.2 0.573 90.0 95.0 -87.8 -6.9 14.2 0.1 24.3 141 148 A K S << S- 0 0 107 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.553 73.8-128.4 -80.8 146.1 11.5 -2.6 24.4 142 149 A R - 0 0 140 -2,-0.2 40,-0.2 101,-0.0 -1,-0.1 -0.457 21.6-118.9 -84.1 166.9 9.7 -3.6 21.2 143 150 A I E -A 181 0A 0 38,-3.0 38,-2.0 -2,-0.1 40,-0.1 -0.931 20.5-129.4-114.7 115.1 5.9 -3.6 21.0 144 151 A P E >> -A 180 0A 60 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.301 23.9-118.8 -58.4 146.6 4.1 -6.9 20.2 145 152 A R H 3> S+ 0 0 56 34,-2.1 4,-2.1 1,-0.3 35,-0.1 0.822 113.6 60.9 -57.9 -33.2 1.6 -6.5 17.4 146 153 A E H 3> S+ 0 0 116 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.854 106.3 45.4 -63.4 -36.2 -1.2 -7.5 19.8 147 154 A E H <> S+ 0 0 29 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.878 108.8 56.4 -73.5 -37.0 -0.4 -4.5 21.9 148 155 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.872 106.2 51.8 -58.5 -37.9 -0.2 -2.3 18.8 149 156 A L H X S+ 0 0 58 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.927 109.7 47.6 -66.1 -44.3 -3.7 -3.4 18.0 150 157 A Q H X S+ 0 0 55 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.895 113.7 48.7 -61.0 -40.9 -4.9 -2.5 21.5 151 158 A M H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.917 110.4 50.4 -64.6 -44.0 -3.2 0.9 21.1 152 159 A Q H X S+ 0 0 45 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.896 106.1 57.3 -60.7 -40.4 -4.7 1.3 17.6 153 160 A D H X S+ 0 0 107 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.931 110.1 43.6 -54.2 -48.6 -8.2 0.5 19.1 154 161 A I H X S+ 0 0 37 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.932 114.1 49.2 -65.0 -46.7 -7.8 3.4 21.6 155 162 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.932 113.6 44.2 -61.9 -47.3 -6.4 5.9 19.1 156 163 A L H X S+ 0 0 68 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.887 114.7 50.7 -68.5 -37.7 -9.1 5.3 16.5 157 164 A N H X S+ 0 0 92 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.955 114.3 41.8 -60.3 -53.7 -11.8 5.4 19.1 158 165 A E H X S+ 0 0 16 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.852 112.3 54.2 -67.9 -34.9 -10.7 8.6 20.7 159 166 A V H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.3 3,-0.3 0.949 110.4 46.9 -61.6 -46.2 -10.0 10.4 17.4 160 167 A K H < S+ 0 0 146 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.873 107.6 58.0 -64.5 -35.7 -13.5 9.6 16.2 161 168 A K H < S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.860 105.9 49.2 -62.3 -37.6 -15.0 10.8 19.5 162 169 A V H < S- 0 0 39 -4,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.936 139.7 -15.6 -68.2 -47.2 -13.4 14.2 19.0 163 170 A D >< - 0 0 49 -4,-1.9 3,-2.0 -5,-0.1 -1,-0.3 -0.812 56.1-146.4-160.6 117.1 -14.7 14.6 15.4 164 171 A S T 3 S+ 0 0 84 1,-0.3 -4,-0.1 -2,-0.3 -3,-0.1 0.555 97.2 66.1 -66.4 -5.0 -16.0 11.7 13.3 165 172 A E T 3 S+ 0 0 112 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.592 75.6 105.6 -92.8 -11.0 -14.6 13.4 10.2 166 173 A Y < - 0 0 17 -3,-2.0 2,-0.4 -7,-0.2 24,-0.2 -0.325 60.4-148.3 -56.4 149.8 -11.0 13.0 11.2 167 174 A I E -B 189 0B 49 22,-2.4 22,-2.4 2,-0.0 2,-0.4 -0.997 18.0-177.8-119.9 130.8 -9.1 10.3 9.3 168 175 A A E -B 188 0B 19 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.993 6.7-177.8-131.8 136.6 -6.3 8.5 11.2 169 176 A T E -B 187 0B 30 18,-2.3 18,-2.9 -2,-0.4 2,-0.6 -0.990 22.2-139.8-137.1 123.7 -4.0 5.8 10.0 170 177 A V E +B 186 0B 4 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.749 36.1 176.1 -80.3 119.9 -1.3 3.9 12.0 171 178 A C E > +B 185 0B 3 14,-2.8 3,-0.5 -2,-0.6 14,-0.5 -0.138 28.8 70.1-112.1-156.5 1.7 3.6 9.7 172 179 A G G >> S- 0 0 18 90,-1.6 4,-1.1 87,-0.2 3,-0.9 -0.349 109.9 -27.0 74.4-160.6 5.2 2.3 10.0 173 180 A S G 34>S+ 0 0 26 1,-0.3 5,-2.4 2,-0.2 -1,-0.2 0.807 133.3 65.2 -59.6 -31.5 6.1 -1.4 10.3 174 181 A F G X45S+ 0 0 8 -3,-0.5 3,-1.4 1,-0.2 -1,-0.3 0.891 101.1 47.9 -58.7 -42.1 2.8 -2.1 11.9 175 182 A R T <45S+ 0 0 57 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.0 60.7 -71.8 -23.2 0.9 -1.2 8.8 176 183 A R T 3<5S- 0 0 78 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.441 123.9-107.6 -79.7 -0.2 3.3 -3.4 6.8 177 184 A G T < 5 + 0 0 23 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.560 58.6 168.7 88.4 10.2 2.0 -6.2 9.0 178 185 A A < - 0 0 31 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.169 40.8-131.2 -56.9 148.8 5.1 -6.6 11.2 179 186 A E S S+ 0 0 151 1,-0.1 -34,-2.1 -35,-0.1 2,-0.3 0.545 90.3 17.4 -82.3 -6.8 4.8 -8.8 14.3 180 187 A S E -A 144 0A 37 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.978 68.2-157.9-156.8 158.0 6.3 -6.1 16.4 181 188 A S E -A 143 0A 2 -38,-2.0 -38,-3.0 -2,-0.3 3,-0.1 -0.905 22.5-135.4-135.0 160.4 7.1 -2.4 16.2 182 189 A G S S- 0 0 39 -2,-0.3 62,-0.4 -40,-0.2 2,-0.2 0.777 84.9 -24.9 -85.2 -29.1 9.4 0.1 17.8 183 190 A D S S- 0 0 62 60,-0.1 2,-0.4 -40,-0.1 62,-0.2 -0.870 72.4 -88.8-160.8-172.1 6.8 2.7 18.4 184 191 A M E - c 0 245B 0 60,-2.2 62,-2.8 -2,-0.2 2,-0.5 -0.982 29.6-168.8-120.1 130.6 3.5 4.0 17.1 185 192 A D E -Bc 171 246B 15 -14,-0.5 -14,-2.8 -2,-0.4 2,-0.5 -0.968 6.9-168.2-121.1 114.5 3.2 6.5 14.2 186 193 A V E -Bc 170 247B 1 60,-2.9 62,-2.9 -2,-0.5 2,-0.5 -0.908 7.3-158.0-110.6 123.2 -0.2 8.0 13.6 187 194 A L E -Bc 169 248B 0 -18,-2.9 -18,-2.3 -2,-0.5 2,-0.4 -0.880 17.8-169.8-100.7 130.2 -1.0 10.1 10.5 188 195 A L E +Bc 168 249B 0 60,-3.5 62,-2.9 -2,-0.5 2,-0.3 -0.929 12.7 163.9-124.9 139.2 -4.0 12.4 11.0 189 196 A T E -B 167 0B 0 -22,-2.4 -22,-2.4 -2,-0.4 5,-0.1 -0.929 14.9-161.9-145.1 174.2 -6.1 14.5 8.6 190 197 A H > - 0 0 13 3,-0.4 3,-2.2 60,-0.4 62,-0.5 -0.966 31.7-120.6-156.0 138.6 -9.4 16.3 8.5 191 198 A P T 3 S+ 0 0 61 0, 0.0 62,-0.1 0, 0.0 61,-0.1 0.800 111.3 63.6 -52.2 -31.7 -11.4 17.6 5.5 192 199 A S T 3 S+ 0 0 72 1,-0.1 2,-0.6 -3,-0.0 -3,-0.0 0.598 94.3 72.0 -72.0 -10.1 -11.2 21.1 6.9 193 200 A F < + 0 0 35 -3,-2.2 59,-3.1 57,-0.1 -3,-0.4 -0.925 58.5 148.1-116.3 115.3 -7.4 21.1 6.5 194 201 A T > - 0 0 43 -2,-0.6 3,-1.7 57,-0.3 -2,-0.0 -0.869 61.2 -97.0-135.5 171.1 -5.7 21.4 3.1 195 202 A S T 3 S+ 0 0 62 1,-0.3 -1,-0.0 -2,-0.3 -2,-0.0 0.816 126.7 39.6 -55.5 -31.4 -2.5 22.8 1.6 196 203 A E T 3 0 0 100 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.048 360.0 360.0-114.2 29.5 -4.6 25.9 0.6 197 204 A S < 0 0 97 -3,-1.7 -4,-0.0 0, 0.0 -5,-0.0 -0.842 360.0 360.0-106.4 360.0 -6.8 26.3 3.7 198 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 199 208 A P 0 0 79 0, 0.0 4,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0-122.8 -4.8 25.3 14.1 200 209 A K > + 0 0 123 2,-0.1 4,-2.5 3,-0.1 5,-0.2 0.174 360.0 104.6-132.6 10.0 -6.2 23.2 17.0 201 210 A L H > S+ 0 0 19 1,-0.2 4,-0.8 2,-0.2 23,-0.1 0.899 89.1 38.5 -60.4 -42.2 -6.9 20.1 15.0 202 211 A L H >> S+ 0 0 2 21,-0.4 4,-2.3 2,-0.2 3,-0.6 0.939 113.8 55.5 -72.5 -46.7 -3.9 18.3 16.4 203 212 A H H 3> S+ 0 0 60 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.871 102.8 55.0 -53.6 -42.8 -4.3 19.8 19.9 204 213 A Q H 3X S+ 0 0 86 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.853 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