==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 11-MAY-12 4F50 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS, SULFOLOBUS . AUTHOR J.D.PATA,R.C.WILSON . 337 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 16.6 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 1 0 2 1 1 1 0 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 79 0, 0.0 2,-0.5 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 144.2 -46.4 -17.2 3.8 2 2 A I - 0 0 8 2,-0.0 105,-2.6 139,-0.0 2,-0.5 -0.879 360.0-177.7-123.6 101.7 -45.7 -20.3 1.7 3 3 A V E -AB 106 142A 0 139,-2.9 139,-2.4 -2,-0.5 2,-0.5 -0.825 14.0-167.9-107.6 130.8 -43.8 -19.6 -1.6 4 4 A I E -AB 105 141A 0 101,-2.4 101,-3.0 -2,-0.5 2,-0.5 -0.982 9.8-163.3-109.7 120.8 -42.8 -22.1 -4.3 5 5 A F E -AB 104 140A 0 135,-3.1 135,-2.2 -2,-0.5 2,-0.5 -0.879 5.0-160.5-101.4 132.3 -40.4 -20.6 -6.8 6 6 A V E -AB 103 139A 0 97,-2.9 97,-1.7 -2,-0.5 2,-0.5 -0.972 7.9-174.7-120.2 128.4 -40.1 -22.6 -10.0 7 7 A D E -AB 102 138A 11 131,-3.5 131,-2.9 -2,-0.5 2,-0.6 -0.975 21.8-137.0-126.1 115.8 -37.1 -22.2 -12.3 8 8 A F E > - B 0 137A 1 93,-2.5 3,-0.8 -2,-0.5 2,-0.3 -0.632 30.5-121.7 -76.2 118.1 -37.0 -24.1 -15.7 9 9 A D T 3 S- 0 0 6 127,-1.1 5,-0.2 -2,-0.6 127,-0.2 -0.443 78.8 -27.3 -63.1 121.2 -33.5 -25.5 -16.0 10 10 A Y T 3> S- 0 0 93 -2,-0.3 4,-2.0 1,-0.1 -1,-0.2 0.882 84.6-171.6 41.4 55.9 -31.6 -24.2 -19.2 11 11 A F H <> + 0 0 2 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.849 69.5 50.7 -57.9 -50.6 -35.0 -23.8 -20.7 12 12 A F H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 115.0 44.7 -58.4 -45.9 -34.3 -23.0 -24.3 13 13 A A H > S+ 0 0 2 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 111.8 53.2 -64.2 -34.2 -31.9 -25.9 -24.7 14 14 A Q H X S+ 0 0 21 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.936 108.2 50.0 -69.7 -44.7 -34.3 -28.2 -22.9 15 15 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.927 108.9 52.5 -55.9 -47.2 -37.1 -27.2 -25.3 16 16 A E H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.902 111.0 46.9 -57.5 -38.7 -34.8 -27.9 -28.3 17 17 A E H < S+ 0 0 29 -4,-1.9 7,-0.2 2,-0.2 -1,-0.2 0.843 110.2 52.6 -74.2 -32.1 -34.0 -31.5 -27.0 18 18 A V H < S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.927 115.6 41.1 -66.8 -43.9 -37.6 -32.2 -26.3 19 19 A L H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 130.7 26.8 -68.6 -37.3 -38.4 -31.2 -29.9 20 20 A N >< - 0 0 38 -4,-2.6 3,-2.7 -5,-0.2 4,-0.3 -0.711 67.2-176.3-131.7 83.1 -35.3 -32.9 -31.3 21 21 A P G > S+ 0 0 84 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.614 76.5 75.6 -63.6 -10.3 -34.3 -35.8 -29.1 22 22 A Q G 3 S+ 0 0 121 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.646 86.6 65.3 -75.9 -10.2 -31.3 -36.6 -31.3 23 23 A Y G X S+ 0 0 41 -3,-2.7 3,-1.5 -6,-0.2 -1,-0.3 0.688 78.7 108.3 -77.5 -23.3 -29.7 -33.5 -29.6 24 24 A K T < S+ 0 0 141 -3,-1.2 19,-0.0 -4,-0.3 0, 0.0 -0.321 82.2 16.2 -58.4 133.9 -29.8 -35.3 -26.2 25 25 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.564 111.5 85.7 82.5 6.8 -26.4 -36.4 -24.9 26 26 A K S < S- 0 0 99 -3,-1.5 20,-0.3 42,-0.0 -1,-0.3 -0.937 92.4 -85.4-131.1 157.9 -24.4 -34.1 -27.3 27 27 A P - 0 0 17 0, 0.0 41,-2.0 0, 0.0 2,-0.4 -0.385 46.3-176.1 -67.0 141.1 -23.5 -30.5 -26.9 28 28 A L E -f 68 0B 1 39,-0.2 15,-2.3 -2,-0.1 2,-0.4 -0.993 6.9-169.4-139.1 130.1 -26.2 -28.1 -28.0 29 29 A V E -fG 69 42B 0 39,-3.0 41,-2.7 -2,-0.4 2,-0.5 -0.986 11.2-150.5-125.5 125.1 -25.9 -24.3 -28.1 30 30 A V E -fG 70 41B 0 11,-3.6 10,-3.3 -2,-0.4 11,-1.3 -0.824 22.3-150.7 -95.9 129.5 -28.8 -21.9 -28.6 31 31 A C E -fG 71 39B 4 39,-2.9 41,-1.5 -2,-0.5 2,-0.4 -0.776 12.7-163.3-113.8 144.2 -27.7 -18.7 -30.3 32 32 A V E - G 0 38B 50 6,-2.9 6,-2.8 -2,-0.3 2,-0.4 -0.971 8.4-157.9-125.5 136.8 -29.0 -15.2 -30.2 33 33 A Y 0 0 153 -2,-0.4 4,-0.1 4,-0.2 -2,-0.0 -0.942 360.0 360.0-117.7 136.8 -28.2 -12.4 -32.6 34 34 A S 0 0 151 -2,-0.4 257,-0.1 2,-0.4 -2,-0.0 -0.862 360.0 360.0-137.5 360.0 -28.4 -8.6 -32.2 35 ! 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 36 40 A S 0 0 118 0, 0.0 -2,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 145.2 -21.5 -12.0 -34.4 37 41 A G - 0 0 7 -4,-0.1 20,-2.2 1,-0.0 21,-0.4 -0.272 360.0-133.6 -96.1-176.6 -24.0 -13.7 -32.1 38 42 A A E -GH 32 56B 26 -6,-2.8 -6,-2.9 18,-0.3 2,-0.5 -0.877 27.6 -91.0-134.6 165.1 -23.9 -15.0 -28.5 39 43 A V E +G 31 0B 3 16,-2.8 15,-2.8 -2,-0.3 -8,-0.2 -0.665 32.5 176.2 -77.6 122.3 -24.9 -18.0 -26.5 40 44 A A E S- 0 0 28 -10,-3.3 2,-0.3 -2,-0.5 -9,-0.2 0.817 71.8 -8.2 -88.1 -42.0 -28.4 -17.8 -25.1 41 45 A T E -G 30 0B 16 -11,-1.3 -11,-3.6 11,-0.1 -1,-0.4 -0.983 56.5-160.1-159.5 149.3 -28.4 -21.3 -23.6 42 46 A A E -G 29 0B 4 -2,-0.3 -13,-0.2 -13,-0.2 -29,-0.1 -0.955 20.3-129.9-129.6 139.6 -26.2 -24.4 -23.5 43 47 A N > - 0 0 4 -15,-2.3 4,-2.7 -2,-0.4 5,-0.2 -0.100 42.4 -84.9 -80.0-170.1 -27.3 -27.9 -22.6 44 48 A Y H > S+ 0 0 131 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.968 126.3 46.3 -67.8 -56.7 -25.4 -30.0 -20.1 45 49 A E H > S+ 0 0 53 -19,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.871 115.2 49.7 -51.7 -39.3 -22.7 -31.5 -22.4 46 50 A A H >4>S+ 0 0 0 -20,-0.3 5,-1.9 2,-0.2 3,-0.9 0.939 112.1 46.0 -67.1 -47.7 -22.1 -28.0 -23.8 47 51 A R H ><5S+ 0 0 63 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.891 105.4 61.7 -59.9 -41.0 -21.8 -26.4 -20.4 48 52 A K H 3<5S+ 0 0 158 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.769 102.3 52.3 -57.9 -25.3 -19.5 -29.2 -19.3 49 53 A L T <<5S- 0 0 83 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.469 130.6 -94.0 -90.0 -1.9 -17.1 -28.1 -22.1 50 54 A G T < 5S+ 0 0 29 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.459 73.7 147.4 108.5 0.8 -17.1 -24.5 -20.8 51 55 A V < - 0 0 2 -5,-1.9 2,-0.3 -8,-0.1 -1,-0.3 -0.595 24.4-177.9 -74.6 125.2 -19.9 -22.9 -22.9 52 56 A K > - 0 0 149 -2,-0.4 3,-1.7 -11,-0.1 -13,-0.3 -0.901 34.2 -91.1-124.0 151.9 -21.6 -20.2 -20.8 53 57 A A T 3 S+ 0 0 79 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.325 113.2 27.5 -57.7 137.7 -24.6 -17.9 -21.5 54 58 A G T 3 S+ 0 0 54 -15,-2.8 -1,-0.2 1,-0.3 -14,-0.1 0.050 87.5 134.5 94.8 -24.6 -23.4 -14.5 -22.9 55 59 A M < - 0 0 43 -3,-1.7 -16,-2.8 -17,-0.1 -1,-0.3 -0.354 65.4-107.5 -58.7 129.9 -20.4 -16.1 -24.5 56 60 A P B > -H 38 0B 51 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.368 24.2-123.0 -55.2 136.7 -19.8 -15.0 -28.1 57 61 A I H > S+ 0 0 12 -20,-2.2 4,-2.4 1,-0.2 5,-0.2 0.872 111.6 59.8 -55.1 -35.6 -20.6 -17.8 -30.5 58 62 A I H > S+ 0 0 95 -21,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.921 107.5 42.3 -58.2 -48.4 -17.0 -17.5 -31.8 59 63 A K H 4 S+ 0 0 118 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 112.6 55.9 -66.3 -38.4 -15.4 -18.3 -28.5 60 64 A A H >X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 3,-1.8 0.906 104.1 52.5 -58.7 -43.7 -17.9 -21.0 -27.9 61 65 A M H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.871 103.6 58.2 -65.9 -32.6 -17.0 -22.8 -31.1 62 66 A Q T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.343 117.0 32.2 -83.8 10.4 -13.4 -22.8 -30.1 63 67 A I T <4 S+ 0 0 67 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.2 0.480 131.6 33.0-126.8 -24.9 -14.1 -24.7 -26.9 64 68 A A >< + 0 0 0 -4,-3.1 3,-1.7 -5,-0.2 -2,-0.2 -0.544 63.3 153.3-125.1 68.5 -17.1 -26.8 -28.2 65 69 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.830 76.0 58.1 -66.8 -25.4 -16.4 -27.5 -31.9 66 70 A S T 3 S+ 0 0 83 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.434 85.9 108.6 -80.4 -1.0 -18.5 -30.7 -31.6 67 71 A A S < S- 0 0 11 -3,-1.7 2,-0.5 -6,-0.1 -39,-0.2 -0.428 70.0-127.2 -78.2 153.3 -21.6 -28.7 -30.4 68 72 A I E -f 28 0B 48 -41,-2.0 -39,-3.0 -2,-0.1 2,-0.6 -0.888 23.5-152.4 -96.1 127.3 -24.6 -28.2 -32.6 69 73 A Y E -f 29 0B 59 -2,-0.5 -39,-0.2 -41,-0.2 -41,-0.0 -0.911 16.1-177.0-108.1 116.2 -25.5 -24.5 -32.7 70 74 A V E -f 30 0B 13 -41,-2.7 -39,-2.9 -2,-0.6 2,-0.1 -0.765 27.3-110.6-111.2 155.0 -29.1 -23.6 -33.3 71 75 A P E -f 31 0B 91 0, 0.0 2,-0.5 0, 0.0 -39,-0.2 -0.462 42.7 -97.4 -76.2 157.0 -30.8 -20.3 -33.8 72 76 A M - 0 0 59 -41,-1.5 2,-0.7 -2,-0.1 -39,-0.1 -0.615 31.7-165.7 -73.0 123.6 -33.1 -19.1 -31.1 73 77 A R >> + 0 0 93 -2,-0.5 4,-1.3 1,-0.2 3,-0.7 -0.715 13.8 173.8-108.5 77.5 -36.8 -19.9 -31.9 74 78 A K H 3> + 0 0 99 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.831 68.3 59.6 -56.3 -41.4 -38.5 -17.6 -29.3 75 79 A P H 3> S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.878 108.6 46.2 -62.8 -30.3 -42.2 -18.1 -30.4 76 80 A I H <> S+ 0 0 50 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.837 110.7 51.6 -81.2 -28.1 -42.0 -21.8 -29.7 77 81 A Y H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.899 108.4 53.4 -71.2 -36.4 -40.2 -21.3 -26.3 78 82 A E H X S+ 0 0 76 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.881 104.7 55.3 -62.2 -36.0 -43.0 -18.9 -25.4 79 83 A A H X S+ 0 0 39 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.911 110.5 43.9 -65.2 -40.1 -45.5 -21.6 -26.3 80 84 A F H X S+ 0 0 13 -4,-1.6 4,-2.3 2,-0.2 3,-0.2 0.961 114.8 49.2 -66.1 -49.6 -43.9 -24.1 -23.9 81 85 A S H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.943 108.7 52.6 -53.1 -54.8 -43.5 -21.5 -21.1 82 86 A N H X S+ 0 0 91 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.848 109.8 50.0 -49.9 -39.8 -47.1 -20.4 -21.5 83 87 A R H X S+ 0 0 104 -4,-1.5 4,-1.4 -3,-0.2 -1,-0.2 0.912 112.3 45.8 -67.8 -41.7 -48.2 -24.1 -21.1 84 88 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.893 109.7 54.1 -70.1 -39.2 -46.1 -24.6 -18.0 85 89 A M H X S+ 0 0 16 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.922 108.0 51.9 -58.6 -42.3 -47.3 -21.3 -16.5 86 90 A N H X S+ 0 0 82 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.795 107.2 51.1 -65.1 -30.1 -50.8 -22.6 -17.1 87 91 A L H >< S+ 0 0 32 -4,-1.4 3,-0.9 2,-0.1 4,-0.4 0.945 111.9 50.7 -67.3 -44.8 -50.0 -25.8 -15.2 88 92 A L H >< S+ 0 0 1 -4,-2.7 3,-2.7 1,-0.2 4,-0.2 0.923 100.6 56.9 -58.0 -53.3 -48.7 -23.8 -12.4 89 93 A N H >< S+ 0 0 65 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.686 96.1 67.7 -62.4 -14.6 -51.6 -21.4 -11.8 90 94 A K T << S+ 0 0 156 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.752 105.9 41.5 -68.6 -26.5 -53.9 -24.4 -11.3 91 95 A H T < S+ 0 0 16 -3,-2.7 2,-0.3 -4,-0.4 -1,-0.2 0.249 107.1 80.1-102.9 9.4 -52.0 -25.1 -8.1 92 96 A A < - 0 0 17 -3,-0.8 15,-0.2 -4,-0.2 3,-0.2 -0.896 59.6-152.8-128.2 149.8 -51.6 -21.6 -6.8 93 97 A D S S+ 0 0 55 13,-2.4 2,-0.3 1,-0.4 14,-0.2 0.892 98.3 3.4 -74.8 -43.3 -53.6 -18.9 -5.0 94 98 A K E -C 106 0A 83 12,-1.2 12,-3.0 -3,-0.1 2,-0.4 -0.994 70.0-160.0-141.9 140.9 -51.5 -16.3 -6.7 95 99 A I E -C 105 0A 16 -2,-0.3 142,-1.2 10,-0.2 2,-0.7 -0.978 3.5-163.9-131.3 126.0 -48.8 -16.6 -9.4 96 100 A E E -Cd 104 237A 4 8,-3.0 8,-2.8 -2,-0.4 2,-0.6 -0.914 11.9-152.5-104.7 109.7 -46.1 -14.1 -10.2 97 101 A V E -Cd 103 238A 18 140,-2.6 142,-2.9 -2,-0.7 6,-0.3 -0.743 14.2-178.1 -81.2 117.2 -44.4 -14.8 -13.6 98 102 A A E - 0 0 26 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.739 62.2 -32.3 -92.4 -26.7 -41.0 -13.3 -13.2 99 103 A S E > S-C 102 0A 33 3,-1.6 3,-1.1 141,-0.1 -1,-0.3 -0.933 83.1 -65.0-171.6-173.2 -39.8 -14.1 -16.7 100 104 A I T 3 S+ 0 0 30 -2,-0.3 3,-0.0 1,-0.3 140,-0.0 0.770 134.1 27.9 -62.3 -25.6 -40.2 -16.7 -19.4 101 105 A D T 3 S+ 0 0 45 1,-0.1 -93,-2.5 -94,-0.0 2,-0.3 0.196 112.7 70.3-123.7 17.8 -38.6 -19.4 -17.2 102 106 A E E < +AC 7 99A 42 -3,-1.1 -4,-2.3 -95,-0.2 -3,-1.6 -0.999 46.7 166.7-142.6 138.8 -39.4 -18.2 -13.7 103 107 A A E -AC 6 97A 0 -97,-1.7 -97,-2.9 -2,-0.3 2,-0.5 -0.994 22.0-148.0-150.9 139.5 -42.5 -18.1 -11.6 104 108 A Y E -AC 5 96A 25 -8,-2.8 -8,-3.0 -2,-0.3 2,-0.5 -0.946 17.3-161.3-107.7 129.5 -43.3 -17.5 -7.9 105 109 A L E -AC 4 95A 0 -101,-3.0 -101,-2.4 -2,-0.5 2,-0.8 -0.957 10.7-150.5-113.8 127.4 -46.4 -19.3 -6.5 106 110 A D E +AC 3 94A 11 -12,-3.0 -13,-2.4 -2,-0.5 -12,-1.2 -0.868 26.4 163.7 -91.2 109.3 -48.2 -18.3 -3.3 107 111 A V >> + 0 0 0 -105,-2.6 4,-2.1 -2,-0.8 3,-1.5 0.225 32.8 118.2-112.3 14.3 -49.7 -21.5 -2.0 108 112 A T T 34>S+ 0 0 24 -106,-0.4 5,-2.4 1,-0.3 3,-0.4 0.921 83.8 37.3 -38.1 -70.4 -50.4 -20.3 1.6 109 113 A N T 345S+ 0 0 136 1,-0.2 -1,-0.3 3,-0.2 3,-0.3 0.520 114.6 62.1 -63.5 -8.4 -54.2 -20.7 1.4 110 114 A K T <45S+ 0 0 91 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.864 105.3 39.0 -90.4 -43.3 -53.7 -23.9 -0.7 111 115 A V T ><5S- 0 0 13 -4,-2.1 3,-2.6 -3,-0.4 6,-0.3 -0.011 116.8-109.9 -94.8 29.2 -51.8 -26.2 1.6 112 116 A E T 3 5 - 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0 0 4 -3,-1.1 24,-3.3 -4,-0.3 25,-0.2 -0.663 61.7-128.6 -87.5 118.0 -25.7 -16.7 4.5 176 180 A D B > -I 198 0C 61 -2,-0.6 3,-0.7 22,-0.3 22,-0.3 -0.186 18.6-122.5 -58.8 154.0 -22.7 -15.0 2.7 177 181 A I G > S+ 0 0 1 20,-1.6 3,-1.4 1,-0.2 6,-0.1 0.842 108.5 58.3 -74.0 -31.2 -23.3 -11.5 1.6 178 182 A D G 3 S+ 0 0 90 19,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.651 95.1 65.8 -74.1 -13.3 -22.6 -12.2 -2.1 179 183 A E G < S+ 0 0 74 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.478 83.8 96.7 -84.1 0.2 -25.3 -14.7 -2.2 180 184 A I S X S- 0 0 2 -3,-1.4 3,-2.1 3,-0.1 42,-0.0 -0.780 84.2-111.1 -99.3 126.2 -27.9 -12.0 -1.6 181 185 A P T 3 S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.227 105.2 30.2 -53.9 142.0 -29.7 -10.4 -4.6 182 186 A G T 3 S+ 0 0 45 1,-0.1 2,-0.9 -4,-0.1 -4,-0.1 0.123 96.5 103.6 91.3 -18.3 -28.7 -6.8 -5.2 183 187 A I < + 0 0 10 -3,-2.1 -1,-0.1 -6,-0.1 -3,-0.1 -0.823 49.2 167.5-101.2 98.2 -25.2 -7.6 -3.9 184 188 A G > - 0 0 44 -2,-0.9 4,-0.6 -3,-0.1 5,-0.1 0.213 51.0 -79.0 -89.7-148.5 -22.9 -7.9 -6.9 185 189 A S H > S+ 0 0 100 2,-0.2 4,-2.3 3,-0.2 5,-0.1 0.868 120.1 56.5 -88.5 -40.0 -19.1 -8.0 -7.0 186 190 A V H > S+ 0 0 108 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.884 117.6 33.0 -61.0 -39.7 -18.2 -4.4 -6.5 187 191 A L H > S+ 0 0 33 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.649 112.8 57.8-101.0 -16.4 -20.1 -3.9 -3.3 188 192 A A H >X S+ 0 0 8 -4,-0.6 4,-2.6 2,-0.2 3,-0.6 0.936 104.3 58.2 -64.3 -47.3 -19.6 -7.4 -1.9 189 193 A R H 3X S+ 0 0 169 -4,-2.3 4,-0.8 1,-0.3 -2,-0.2 0.813 113.8 35.4 -46.5 -39.5 -15.9 -6.5 -2.2 190 194 A R H 3< S+ 0 0 111 -4,-0.6 4,-0.3 2,-0.2 -1,-0.3 0.529 108.6 60.6-105.0 -11.5 -16.3 -3.5 -0.0 191 195 A L H <<>S+ 0 0 0 -4,-1.1 5,-2.8 -3,-0.6 3,-0.4 0.803 108.8 49.9 -72.5 -33.8 -18.9 -4.8 2.4 192 196 A N H ><5S+ 0 0 58 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.891 103.1 58.0 -64.1 -42.0 -16.0 -7.3 3.0 193 197 A E T 3<5S+ 0 0 138 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.701 106.2 50.8 -64.0 -17.7 -13.6 -4.4 3.4 194 198 A L T 3 5S- 0 0 67 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.267 127.7 -99.9-102.1 8.9 -15.9 -3.3 6.2 195 199 A G T < 5S+ 0 0 38 -3,-2.3 2,-0.9 1,-0.2 -3,-0.2 0.456 78.9 136.8 90.9 1.5 -15.9 -6.7 7.9 196 200 A I < + 0 0 0 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.2 -0.741 9.2 148.8 -86.1 106.5 -19.2 -7.8 6.6 197 201 A Q + 0 0 100 -2,-0.9 -20,-1.6 1,-0.2 -19,-0.3 0.734 65.3 27.2-105.8 -36.2 -18.8 -11.4 5.5 198 202 A K B > S-I 176 0C 39 -22,-0.3 3,-1.5 -21,-0.1 4,-0.4 -0.855 86.5-104.9-126.7 162.3 -22.2 -12.8 6.2 199 203 A L G > S+ 0 0 0 -24,-3.3 3,-1.3 -27,-0.3 4,-0.4 0.800 116.1 64.4 -57.0 -30.8 -25.7 -11.3 6.3 200 204 A R G >> S+ 0 0 87 -27,-0.9 3,-1.4 1,-0.3 4,-0.6 0.796 88.2 68.7 -63.7 -28.5 -25.7 -11.5 10.1 201 205 A D G X4 S+ 0 0 32 -3,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.741 84.5 72.4 -65.1 -22.5 -22.8 -9.0 10.2 202 206 A I G X4 S+ 0 0 7 -3,-1.3 3,-0.6 -4,-0.4 -1,-0.3 0.855 92.3 56.1 -55.4 -37.5 -25.3 -6.4 8.9 203 207 A L G <4 S+ 0 0 84 -3,-1.4 2,-0.5 -4,-0.4 -1,-0.2 0.810 105.5 51.7 -67.6 -29.7 -26.9 -6.4 12.4 204 208 A S G << S+ 0 0 91 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.3 -0.396 96.5 94.3-107.7 54.7 -23.7 -5.6 14.1 205 209 A K S < S- 0 0 86 -3,-0.6 2,-0.6 -2,-0.5 -10,-0.0 -0.978 83.1 -91.1-147.8 154.8 -22.6 -2.5 12.1 206 210 A N > - 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