==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 07-MAY-13 4KLU . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,D.D.SHOCK,S.H.WILSON . 322 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.3 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 . 29 9.0 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.9 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 1 1 1 2 1 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 . 1 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 11 A L 0 0 141 0, 0.0 3,-0.2 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -74.1 -0.5 18.2 25.8 2 12 A N >> + 0 0 13 37,-0.1 4,-2.5 1,-0.1 3,-0.6 -0.096 360.0 131.5-123.7 37.8 -0.5 15.1 28.0 3 13 A G H 3> S+ 0 0 40 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.817 71.9 59.5 -61.1 -32.7 3.0 13.7 27.6 4 14 A G H 3> S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.906 110.5 42.0 -61.0 -41.0 3.3 13.3 31.4 5 15 A I H <> S+ 0 0 5 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.924 113.8 49.5 -73.6 -46.2 0.3 11.1 31.5 6 16 A T H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.861 110.6 52.1 -66.1 -33.0 1.2 9.0 28.4 7 17 A D H X S+ 0 0 103 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.918 109.5 49.7 -62.4 -46.1 4.7 8.5 29.8 8 18 A M H X S+ 0 0 5 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.915 111.7 48.0 -57.6 -44.2 3.3 7.3 33.1 9 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.850 110.0 52.9 -69.1 -32.8 1.0 4.8 31.3 10 20 A T H X S+ 0 0 63 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.899 108.1 49.9 -69.1 -41.7 3.8 3.6 29.1 11 21 A E H X S+ 0 0 73 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.931 112.0 47.7 -58.5 -48.9 6.0 2.9 32.2 12 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.911 110.4 53.3 -58.3 -44.6 3.1 0.9 33.8 13 23 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.936 110.0 47.5 -54.0 -48.9 2.6 -0.9 30.5 14 24 A N H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.901 111.1 50.5 -65.7 -41.0 6.3 -1.9 30.5 15 25 A F H X>S+ 0 0 28 -4,-2.7 4,-2.1 2,-0.2 5,-2.0 0.921 110.1 50.6 -59.2 -45.4 6.2 -3.0 34.1 16 26 A E H <5S+ 0 0 9 -4,-2.8 6,-2.8 3,-0.2 5,-0.4 0.939 116.7 40.5 -61.8 -43.9 3.1 -5.2 33.5 17 27 A K H <5S+ 0 0 61 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.945 125.9 30.9 -67.2 -49.1 4.7 -6.9 30.5 18 28 A N H <5S+ 0 0 8 -4,-2.6 -3,-0.2 -5,-0.2 84,-0.2 0.825 133.2 21.9 -88.2 -35.3 8.2 -7.4 31.7 19 29 A V T <5S+ 0 0 13 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.866 131.6 34.8-100.9 -54.3 7.9 -7.8 35.5 20 30 A S S + 0 0 26 -6,-2.8 4,-2.0 1,-0.1 3,-0.4 -0.780 25.6 178.3-119.6 84.2 0.6 -9.8 32.5 23 33 A I H > S+ 0 0 80 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.811 75.6 55.4 -64.8 -31.9 0.4 -9.2 28.7 24 34 A H H > S+ 0 0 160 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 108.3 47.5 -70.4 -38.2 -3.3 -8.1 28.7 25 35 A K H > S+ 0 0 117 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.884 108.8 57.4 -67.0 -36.5 -2.7 -5.3 31.3 26 36 A Y H X S+ 0 0 25 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.957 110.3 42.3 -52.7 -53.9 0.3 -4.3 29.1 27 37 A N H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.858 110.4 57.7 -65.3 -35.0 -2.0 -3.8 26.1 28 38 A A H X S+ 0 0 48 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.948 110.0 43.7 -58.0 -49.9 -4.6 -2.1 28.2 29 39 A Y H X S+ 0 0 25 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.886 113.8 50.3 -63.1 -40.4 -2.1 0.5 29.3 30 40 A R H X S+ 0 0 134 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.918 110.3 50.4 -60.9 -46.3 -0.7 0.9 25.8 31 41 A K H X S+ 0 0 128 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.921 111.7 48.0 -59.6 -43.4 -4.3 1.3 24.4 32 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 22,-0.3 5,-0.2 0.928 111.7 49.5 -62.9 -45.1 -5.0 4.0 27.1 33 43 A A H X S+ 0 0 10 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.919 110.5 52.2 -59.2 -44.5 -1.7 5.8 26.3 34 44 A S H X S+ 0 0 58 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.950 111.4 43.6 -54.9 -56.4 -2.6 5.7 22.5 35 45 A V H >< S+ 0 0 33 -4,-2.2 3,-0.6 1,-0.2 4,-0.3 0.904 115.4 49.0 -61.6 -41.5 -6.1 7.3 22.9 36 46 A I H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.918 104.7 58.8 -64.8 -41.2 -4.9 9.9 25.3 37 47 A A H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.2 47.5 -55.7 -28.6 -1.9 10.8 23.1 38 48 A K T << S+ 0 0 137 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.436 83.1 114.4 -94.3 -2.9 -4.5 11.7 20.4 39 49 A Y < - 0 0 50 -3,-1.8 -37,-0.1 -4,-0.3 4,-0.1 -0.600 61.7-145.2 -76.6 124.5 -6.8 13.7 22.6 40 50 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.098 72.7 66.1 -83.0 22.1 -6.7 17.4 21.4 41 51 A H S S- 0 0 112 -39,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.973 88.3-103.6-140.2 155.6 -7.0 18.9 24.9 42 52 A K - 0 0 155 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.696 46.9-122.1 -77.2 114.4 -5.0 19.1 28.1 43 53 A I - 0 0 4 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.370 30.1-177.6 -63.7 131.4 -6.6 16.6 30.5 44 54 A K + 0 0 175 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.599 61.5 7.1-105.2 -18.4 -7.8 18.2 33.7 45 55 A S > - 0 0 41 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.991 67.8-108.5-156.0 164.6 -9.2 15.1 35.6 46 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.929 117.0 59.0 -55.8 -46.6 -9.5 11.4 35.7 47 57 A A H > S+ 0 0 66 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.896 103.8 50.0 -52.7 -46.4 -13.2 11.8 34.9 48 58 A E H >4 S+ 0 0 29 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.924 112.5 46.8 -59.4 -46.1 -12.5 13.6 31.7 49 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 -1,-0.2 0.840 100.2 68.3 -64.7 -33.3 -10.1 10.9 30.6 50 60 A K H 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.696 85.8 70.3 -62.8 -18.6 -12.5 8.1 31.5 51 61 A K T << S+ 0 0 165 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.751 83.0 89.5 -69.2 -22.4 -14.7 9.3 28.7 52 62 A L S X S- 0 0 25 -3,-2.3 3,-1.7 -4,-0.3 2,-0.3 -0.531 91.2-107.8 -79.9 141.8 -12.1 7.9 26.3 53 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.539 107.3 28.8 -70.6 126.4 -12.5 4.2 25.2 54 64 A G T 3 S+ 0 0 31 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.135 96.3 102.3 106.9 -17.4 -9.8 2.2 26.8 55 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.1 -0.898 51.8 170.9 -98.3 120.2 -9.5 4.4 29.9 56 66 A G > - 0 0 31 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.344 47.7 -69.5-116.3-163.8 -11.3 2.9 32.9 57 67 A T H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.888 126.4 45.5 -56.2 -47.6 -11.8 3.4 36.6 58 68 A K H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 114.0 47.7 -73.0 -38.3 -8.3 2.5 37.7 59 69 A I H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 109.6 53.8 -66.9 -39.9 -6.6 4.5 35.0 60 70 A A H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.906 108.3 51.1 -59.5 -39.4 -8.8 7.5 35.8 61 71 A E H X S+ 0 0 120 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.905 109.4 49.5 -64.8 -40.1 -7.7 7.2 39.5 62 72 A K H X S+ 0 0 36 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.893 108.4 53.4 -65.2 -38.3 -4.1 7.1 38.5 63 73 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.898 107.8 51.4 -62.6 -40.5 -4.6 10.2 36.3 64 74 A D H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 111.9 46.2 -59.9 -45.5 -6.1 12.1 39.3 65 75 A E H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 6,-0.5 0.925 114.0 47.8 -65.0 -44.2 -3.1 11.2 41.5 66 76 A F H X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.873 112.4 49.2 -63.9 -39.1 -0.6 12.2 38.8 67 77 A L H < S+ 0 0 71 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.868 115.0 45.5 -66.6 -36.7 -2.4 15.5 38.2 68 78 A A H < S+ 0 0 83 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.849 132.6 14.7 -74.5 -36.2 -2.5 16.2 41.9 69 79 A T H < S- 0 0 70 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.573 92.2-120.8-119.6 -17.6 1.1 15.3 42.7 70 80 A G S < S+ 0 0 52 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.593 86.7 61.5 79.4 12.4 3.0 15.1 39.5 71 81 A K S S- 0 0 78 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.3 -0.977 76.6-118.4-155.4 163.4 3.9 11.4 40.2 72 82 A L > - 0 0 4 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.975 11.6-153.4-109.0 127.2 2.6 8.0 40.9 73 83 A R H > S+ 0 0 152 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.923 99.4 54.6 -53.8 -48.3 3.4 6.4 44.2 74 84 A K H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.878 110.8 45.3 -53.3 -44.1 3.1 2.9 42.6 75 85 A L H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.851 108.7 53.9 -73.2 -37.9 5.6 3.9 40.0 76 86 A E H X S+ 0 0 72 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.913 108.6 51.1 -64.6 -38.6 8.1 5.5 42.4 77 87 A K H < S+ 0 0 143 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.886 110.3 49.2 -63.0 -40.4 8.1 2.2 44.4 78 88 A I H >< S+ 0 0 28 -4,-1.5 3,-1.0 -5,-0.2 7,-0.4 0.906 107.8 55.2 -65.8 -41.4 8.8 0.3 41.2 79 89 A R H 3< S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.860 109.1 44.9 -60.9 -40.6 11.7 2.6 40.2 80 90 A Q T 3< S+ 0 0 147 -4,-1.7 2,-0.7 -5,-0.1 -1,-0.2 0.335 89.5 100.0 -93.1 9.0 13.6 2.1 43.5 81 91 A D <> - 0 0 70 -3,-1.0 4,-2.1 -4,-0.2 5,-0.2 -0.856 63.2-157.2 -86.8 116.5 13.0 -1.6 43.5 82 92 A D H > S+ 0 0 77 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 0.888 87.8 51.4 -62.9 -41.4 16.3 -3.0 42.2 83 93 A T H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.952 112.5 44.4 -63.6 -47.1 14.8 -6.3 40.9 84 94 A S H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 112.4 50.6 -66.0 -43.5 12.0 -4.7 38.9 85 95 A S H X S+ 0 0 48 -4,-2.1 4,-2.2 -7,-0.4 -1,-0.2 0.883 113.7 45.5 -63.9 -39.0 14.1 -2.0 37.3 86 96 A S H X S+ 0 0 12 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.888 112.5 49.5 -72.5 -42.1 16.8 -4.6 36.2 87 97 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.945 113.0 48.7 -58.2 -48.5 14.3 -7.1 34.8 88 98 A N H < S+ 0 0 54 -4,-2.5 3,-0.3 -5,-0.2 4,-0.3 0.932 113.3 47.5 -58.7 -47.0 12.6 -4.3 32.9 89 99 A F H >< S+ 0 0 48 -4,-2.2 3,-2.5 1,-0.2 4,-0.3 0.942 104.8 57.5 -59.1 -51.3 15.9 -3.1 31.6 90 100 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.803 93.9 68.2 -55.6 -30.0 17.2 -6.5 30.4 91 101 A T T 3< S+ 0 0 26 -4,-1.3 -1,-0.3 -3,-0.3 5,-0.2 0.641 80.7 79.0 -67.7 -10.8 14.1 -7.0 28.2 92 102 A R T < S+ 0 0 131 -3,-2.5 2,-0.4 -4,-0.3 -1,-0.3 0.739 76.5 86.1 -68.6 -20.1 15.5 -4.3 26.0 93 103 A V S X S- 0 0 2 -3,-2.1 3,-2.1 -4,-0.3 2,-0.2 -0.684 93.0-111.8 -83.4 133.2 17.9 -6.8 24.5 94 104 A S T 3 S+ 0 0 39 -2,-0.4 35,-0.5 1,-0.3 36,-0.2 -0.463 104.1 27.0 -65.0 129.8 16.4 -8.7 21.6 95 105 A G T 3 S+ 0 0 32 -2,-0.2 2,-0.8 1,-0.2 -1,-0.3 0.157 97.9 101.6 99.2 -16.6 15.9 -12.3 22.5 96 106 A I < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.1 -0.884 49.8 170.9 -98.8 111.5 15.6 -11.5 26.2 97 107 A G > - 0 0 29 -2,-0.8 4,-2.9 -3,-0.1 5,-0.3 -0.326 53.1 -75.8-104.5-167.7 12.0 -11.6 27.2 98 108 A P H > S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.864 128.8 51.4 -58.7 -37.6 10.3 -11.5 30.6 99 109 A S H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.948 115.2 39.7 -67.5 -47.9 11.2 -15.1 31.5 100 110 A A H > S+ 0 0 18 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.921 112.7 55.6 -66.8 -43.1 14.9 -14.8 30.7 101 111 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.939 111.0 45.9 -55.6 -46.3 15.2 -11.3 32.2 102 112 A R H X S+ 0 0 76 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.920 111.7 51.1 -61.1 -44.7 13.9 -12.7 35.4 103 113 A K H X S+ 0 0 142 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.929 113.1 46.1 -57.8 -48.4 16.1 -15.7 35.3 104 114 A F H <>S+ 0 0 7 -4,-3.1 5,-3.0 2,-0.2 3,-0.4 0.931 113.1 47.8 -60.7 -49.6 19.2 -13.5 34.7 105 115 A V H ><5S+ 0 0 8 -4,-2.7 3,-2.4 -5,-0.3 -2,-0.2 0.922 105.9 59.4 -60.4 -43.4 18.3 -11.1 37.5 106 116 A D H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.6 45.3 -52.0 -37.6 17.6 -14.0 39.9 107 117 A E T 3<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.106 127.8 -98.2 -98.1 23.4 21.3 -15.1 39.4 108 118 A G T < 5S+ 0 0 42 -3,-2.4 2,-0.7 1,-0.2 -3,-0.2 0.683 80.9 133.5 76.3 21.2 22.6 -11.6 39.8 109 119 A I < + 0 0 5 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.906 18.8 144.4-103.8 106.6 23.0 -10.7 36.1 110 120 A K + 0 0 75 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.460 47.9 44.2-128.0 -7.5 21.5 -7.2 35.9 111 121 A T S > S- 0 0 40 1,-0.1 4,-2.2 -22,-0.1 5,-0.1 -0.868 83.0-103.3-136.0 170.9 23.3 -5.0 33.4 112 122 A L H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.882 123.8 56.6 -59.4 -35.4 24.7 -5.1 29.9 113 123 A E H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 105.8 48.8 -66.4 -39.0 28.1 -5.4 31.6 114 124 A D H > S+ 0 0 37 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.896 110.4 52.3 -65.3 -38.8 26.9 -8.5 33.5 115 125 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.943 106.6 52.3 -60.1 -47.6 25.6 -10.0 30.2 116 126 A R H >< S+ 0 0 137 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.872 108.7 51.4 -57.5 -38.0 29.0 -9.5 28.5 117 127 A K H 3< S+ 0 0 155 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.612 115.8 42.0 -72.8 -15.3 30.7 -11.3 31.3 118 128 A N T X< + 0 0 36 -3,-1.4 3,-3.0 -4,-0.7 4,-0.3 -0.089 63.3 138.9-125.0 37.6 28.3 -14.2 31.0 119 129 A E G X + 0 0 73 -3,-0.9 3,-1.5 1,-0.3 -1,-0.1 0.753 67.8 71.3 -53.9 -23.2 28.0 -14.7 27.2 120 130 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.723 95.2 53.2 -65.8 -19.4 28.1 -18.5 28.0 121 131 A K G < S+ 0 0 100 -3,-3.0 2,-0.4 -6,-0.2 -1,-0.3 0.426 94.7 87.9 -95.1 0.9 24.6 -18.2 29.4 122 132 A L S < S- 0 0 6 -3,-1.5 -26,-0.0 -4,-0.3 2,-0.0 -0.792 70.9-134.2-100.9 142.0 23.1 -16.5 26.4 123 133 A N > - 0 0 85 -2,-0.4 4,-2.0 -28,-0.1 5,-0.2 -0.227 40.2 -90.4 -78.4-179.9 21.6 -18.3 23.4 124 134 A H H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.916 125.7 49.1 -60.8 -46.7 22.5 -17.2 19.8 125 135 A H H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 111.6 50.5 -60.2 -45.0 19.6 -14.6 19.4 126 136 A Q H > S+ 0 0 14 -31,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 106.3 54.2 -63.1 -39.3 20.5 -13.1 22.7 127 137 A R H X S+ 0 0 97 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.907 110.6 47.6 -62.7 -39.2 24.2 -12.7 21.9 128 138 A I H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.941 110.5 50.5 -66.1 -46.3 23.2 -10.8 18.7 129 139 A G H < S+ 0 0 1 -4,-2.4 -2,-0.2 -35,-0.5 -1,-0.2 0.877 113.7 46.6 -59.2 -38.5 20.8 -8.6 20.6 130 140 A L H >< S+ 0 0 5 -4,-2.4 3,-1.9 -36,-0.2 4,-0.2 0.962 109.9 53.2 -65.5 -50.8 23.5 -7.8 23.1 131 141 A K H 3< S+ 0 0 134 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.874 121.5 30.5 -53.3 -42.8 26.1 -7.2 20.3 132 142 A Y T 3X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 -1,-0.3 -0.115 79.3 134.2-110.4 36.2 23.9 -4.6 18.6 133 143 A F H <> S+ 0 0 26 -3,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.928 78.1 37.5 -51.1 -56.2 22.1 -3.3 21.6 134 144 A G H >4 S+ 0 0 46 -4,-0.2 3,-0.8 -3,-0.2 4,-0.5 0.906 115.5 52.4 -63.5 -45.3 22.5 0.3 20.7 135 145 A D H >4 S+ 0 0 40 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.914 105.1 55.2 -60.6 -44.4 22.0 -0.1 16.9 136 146 A F H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.717 105.1 54.2 -62.5 -21.8 18.7 -2.0 17.3 137 147 A E T << S+ 0 0 93 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.3 0.517 90.4 95.8 -90.4 -4.8 17.3 0.9 19.4 138 148 A K S < S- 0 0 115 -3,-1.6 2,-0.1 -4,-0.5 -3,-0.0 -0.663 74.8-128.8 -81.8 139.0 18.1 3.4 16.6 139 149 A R - 0 0 138 -2,-0.3 40,-0.2 103,-0.0 -2,-0.1 -0.426 20.2-119.8 -78.2 162.0 15.3 4.3 14.2 140 150 A I E -A 178 0A 1 38,-3.0 38,-2.9 -2,-0.1 40,-0.1 -0.922 22.8-132.7-109.1 112.9 16.0 4.2 10.5 141 151 A P E >> -A 177 0A 56 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.317 24.2-113.1 -62.5 147.5 15.6 7.4 8.5 142 152 A R H 3> S+ 0 0 47 34,-2.7 4,-2.4 1,-0.2 5,-0.2 0.850 112.8 59.9 -49.9 -41.5 13.5 7.2 5.3 143 153 A E H 3> S+ 0 0 137 33,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.859 108.1 44.5 -62.5 -35.3 16.5 8.0 3.0 144 154 A E H <> S+ 0 0 30 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.859 108.0 58.5 -72.7 -37.8 18.4 4.9 4.3 145 155 A M H X S+ 0 0 1 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.951 106.7 48.9 -52.5 -46.7 15.2 2.8 4.0 146 156 A L H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.886 110.0 50.1 -64.3 -38.4 15.1 3.7 0.3 147 157 A Q H X S+ 0 0 71 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.877 113.1 47.2 -63.8 -38.3 18.8 2.8 -0.1 148 158 A M H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.912 110.0 52.2 -68.5 -45.2 18.0 -0.6 1.6 149 159 A Q H X S+ 0 0 43 -4,-3.2 4,-3.2 1,-0.2 5,-0.4 0.955 107.4 53.4 -53.8 -51.8 14.9 -1.2 -0.5 150 160 A D H X S+ 0 0 102 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.901 110.1 46.7 -51.0 -47.8 17.0 -0.6 -3.6 151 161 A I H X S+ 0 0 37 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.936 115.8 44.8 -62.9 -46.9 19.6 -3.2 -2.6 152 162 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.950 115.0 45.9 -63.3 -52.4 17.0 -5.8 -1.7 153 163 A L H X S+ 0 0 61 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.947 116.5 47.8 -56.4 -48.5 14.8 -5.3 -4.8 154 164 A N H X S+ 0 0 73 -4,-2.4 4,-1.4 -5,-0.4 -2,-0.2 0.941 114.0 43.5 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0.770 57.0 176.2 84.8 27.3 5.6 7.1 3.6 175 185 A A < - 0 0 28 -5,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.365 35.4-133.7 -63.5 142.3 6.9 7.3 7.2 176 186 A E S S+ 0 0 154 1,-0.1 -34,-2.7 -35,-0.1 2,-0.3 0.559 89.6 20.9 -74.6 -6.4 10.0 9.5 7.6 177 187 A S E -A 141 0A 40 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.978 67.4-153.2-159.8 150.8 11.5 6.8 9.7 178 188 A S E -A 140 0A 3 -38,-2.9 -38,-3.0 -2,-0.3 3,-0.1 -0.902 17.4-143.8-126.7 153.1 11.2 3.0 10.3 179 189 A G S S- 0 0 41 -2,-0.3 64,-0.3 1,-0.2 2,-0.3 0.822 84.0 -23.4 -82.3 -32.7 11.9 0.7 13.3 180 190 A D S S- 0 0 68 62,-0.1 2,-0.5 -40,-0.1 -1,-0.2 -0.904 74.2 -89.9-160.3-177.9 13.1 -2.2 11.1 181 191 A M E - c 0 244B 0 62,-2.4 64,-2.8 -2,-0.3 2,-0.6 -0.942 31.7-171.3-114.6 120.8 12.7 -3.5 7.5 182 192 A D E - c 0 245B 21 -2,-0.5 -14,-3.0 -14,-0.5 2,-0.4 -0.919 6.9-173.7-114.7 110.1 9.9 -5.9 6.7 183 193 A V E -Bc 167 246B 1 62,-2.7 64,-2.3 -2,-0.6 2,-0.5 -0.873 11.9-153.9-108.1 131.8 10.1 -7.5 3.2 184 194 A L E -Bc 166 247B 0 -18,-3.3 -18,-2.2 -2,-0.4 2,-0.4 -0.922 17.6-168.6-103.9 130.3 7.3 -9.7 1.8 185 195 A L E +Bc 165 248B 0 62,-3.6 64,-3.3 -2,-0.5 2,-0.3 -0.926 11.0 168.7-123.1 141.7 8.5 -12.1 -0.9 186 196 A T E -B 164 0B 0 -22,-1.9 -22,-2.4 -2,-0.4 3,-0.1 -0.968 10.6-166.8-146.9 164.0 6.6 -14.3 -3.3 187 197 A H > - 0 0 14 62,-0.4 3,-2.5 3,-0.3 64,-0.5 -0.985 32.0-119.6-154.7 140.5 7.3 -16.5 -6.4 188 198 A P T 3 S+ 0 0 67 0, 0.0 63,-0.1 0, 0.0 -1,-0.1 0.852 111.9 59.0 -48.2 -45.4 5.2 -18.2 -9.1 189 199 A S T 3 S+ 0 0 47 1,-0.1 2,-0.7 -3,-0.1 10,-0.0 0.580 94.4 78.9 -64.0 -9.0 6.4 -21.7 -8.2 190 200 A F < + 0 0 43 -3,-2.5 61,-2.3 59,-0.1 -3,-0.3 -0.889 60.6 147.4-109.7 111.0 5.0 -21.1 -4.7 191 201 A T - 0 0 45 -2,-0.7 3,-0.2 59,-0.2 -2,-0.0 -0.883 59.9-105.4-135.3 164.9 1.3 -21.6 -4.2 192 202 A S S S+ 0 0 73 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.869 118.7 50.1 -51.8 -40.0 -1.3 -22.7 -1.7 193 203 A E 0 0 99 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.798 360.0 360.0 -77.9 -31.7 -1.8 -25.9 -3.7 194 204 A S 0 0 119 -3,-0.2 -2,-0.2 -5,-0.0 -1,-0.1 0.455 360.0 360.0-132.5 360.0 1.8 -27.1 -4.1 195 ! 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 0.0 196 207 A Q > 0 0 67 0, 0.0 3,-0.9 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 155.7 10.2 -24.7 -4.7 197 208 A P T 3 + 0 0 105 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.840 360.0 25.1 -63.7 -39.4 12.2 -26.2 -1.9 198 209 A K T 3> S+ 0 0 124 1,-0.1 4,-1.7 2,-0.1 23,-0.0 -0.173 75.4 130.4-123.6 38.3 14.8 -23.4 -1.3 199 210 A L H <> S+ 0 0 8 -3,-0.9 4,-0.7 1,-0.2 -1,-0.1 0.911 80.6 38.7 -60.0 -47.4 13.1 -20.2 -2.5 200 211 A L H >> S+ 0 0 3 21,-0.4 4,-2.3 1,-0.2 3,-0.8 0.896 111.1 59.1 -71.2 -41.1 13.8 -18.1 0.6 201 212 A H H 3> S+ 0 0 58 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.863 100.6 55.7 -55.8 -41.8 17.3 -19.5 1.1 202 213 A Q H 3X S+ 0 0 90 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.793 109.6 47.0 -64.9 -29.6 18.5 -18.3 -2.4 203 214 A V H S+ 0 0 1 -4,-2.0 5,-2.2 1,-0.2 6,-1.9 0.797 113.3 47.0 -68.6 -27.4 22.0 -10.8 0.3 208 219 A Q H ><5S+ 0 0 78 -4,-1.8 3,-2.0 4,-0.2 -2,-0.2 0.876 107.5 59.0 -73.7 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