==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 07-DEC-10 3PW0 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR S.BANERJEE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 32.6 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+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 0 1 2 1 0 1 2 0 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 85 0, 0.0 2,-0.3 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 139.1 94.6 135.6 66.2 2 2 A I - 0 0 18 2,-0.0 109,-1.5 115,-0.0 2,-0.4 -0.883 360.0-163.9-148.5 109.2 96.3 138.0 63.8 3 3 A V E -AB 110 145A 0 142,-3.1 142,-1.6 -2,-0.3 2,-0.5 -0.824 6.3-160.5-103.9 139.0 100.0 138.5 64.2 4 4 A L E -AB 109 144A 0 105,-2.9 105,-2.6 -2,-0.4 2,-0.4 -0.965 10.9-165.0-118.5 114.7 102.0 141.4 62.6 5 5 A F E -AB 108 143A 0 138,-3.5 138,-2.1 -2,-0.5 2,-0.4 -0.841 2.5-163.7-104.2 134.3 105.7 140.8 62.3 6 6 A V E +AB 107 142A 0 101,-2.4 101,-1.6 -2,-0.4 2,-0.4 -0.962 10.7 174.0-117.9 133.7 108.2 143.6 61.6 7 7 A D E -AB 106 141A 10 134,-1.9 134,-1.5 -2,-0.4 99,-0.2 -0.882 28.2-128.5-145.4 106.5 111.7 142.9 60.4 8 8 A F E > - B 0 140A 3 97,-1.4 3,-0.8 -2,-0.4 132,-0.2 -0.233 26.9-112.0 -57.4 133.4 114.0 145.8 59.4 9 9 A D T 3 S- 0 0 2 130,-1.8 5,-0.3 1,-0.3 130,-0.1 -0.442 83.3 -27.5 -72.8 138.7 115.8 145.7 56.1 10 10 A Y T 3> S- 0 0 44 -2,-0.1 4,-3.1 3,-0.1 -1,-0.3 0.741 85.7-168.9 22.0 49.0 119.6 145.3 56.0 11 11 A F H <> + 0 0 6 -3,-0.8 4,-3.2 1,-0.2 5,-0.2 0.680 69.5 38.1 -31.3 -64.4 119.5 147.0 59.4 12 12 A Y H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.968 121.4 46.0 -59.9 -53.0 123.1 147.8 60.3 13 13 A A H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.894 115.9 47.4 -55.2 -41.8 123.9 148.7 56.7 14 14 A Q H >X S+ 0 0 8 -4,-3.1 4,-2.2 -5,-0.3 3,-0.6 0.924 107.1 54.4 -67.6 -45.3 120.7 150.8 56.5 15 15 A V H 3X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.3 -1,-0.2 0.833 108.1 53.3 -57.2 -30.7 121.3 152.5 59.8 16 16 A E H 3< S+ 0 0 10 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.799 108.3 46.9 -74.6 -30.9 124.7 153.5 58.3 17 17 A E H X< S+ 0 0 5 -4,-1.2 3,-1.2 -3,-0.6 7,-0.3 0.774 108.3 57.1 -79.5 -28.0 123.1 155.0 55.2 18 18 A V H 3< S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.829 106.8 49.7 -70.1 -29.8 120.6 156.8 57.4 19 19 A L T 3< S+ 0 0 83 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.063 131.7 14.6 -96.1 23.7 123.6 158.4 59.2 20 20 A N X - 0 0 75 -3,-1.2 3,-2.5 -5,-0.0 4,-0.3 -0.077 68.3-169.7 167.5 73.3 125.2 159.5 55.9 21 21 A P G > S+ 0 0 72 0, 0.0 3,-2.1 0, 0.0 -3,-0.1 0.707 76.8 83.7 -49.8 -25.4 122.8 159.3 52.9 22 22 A S G 3 S+ 0 0 80 1,-0.3 -5,-0.1 3,-0.1 4,-0.0 0.830 86.9 60.6 -50.2 -28.5 125.6 159.9 50.5 23 23 A L G X S+ 0 0 9 -3,-2.5 3,-2.5 -6,-0.2 -1,-0.3 0.816 76.3 113.2 -67.6 -33.3 126.1 156.2 50.9 24 24 A K T < S+ 0 0 123 -3,-2.1 -10,-0.0 -7,-0.3 -6,-0.0 -0.109 81.8 21.3 -42.0 126.4 122.6 155.5 49.6 25 25 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.339 104.4 94.9 94.7 -9.8 123.0 153.7 46.3 26 26 A K S < S- 0 0 101 -3,-2.5 2,-0.3 45,-0.0 -1,-0.3 -0.843 87.8 -91.4-114.1 151.5 126.5 152.3 46.8 27 27 A P - 0 0 31 0, 0.0 45,-2.3 0, 0.0 2,-0.5 -0.455 45.6-169.7 -64.6 124.9 127.5 148.9 48.1 28 28 A V E -e 72 0B 0 -2,-0.3 19,-1.9 43,-0.2 2,-0.5 -0.969 6.3-170.5-118.2 124.2 128.0 149.2 51.8 29 29 A V E -eF 73 46B 0 43,-3.7 45,-3.0 -2,-0.5 2,-0.7 -0.963 11.4-150.6-118.0 122.6 129.6 146.4 53.8 30 30 A V E -eF 74 45B 0 15,-3.4 14,-2.7 -2,-0.5 15,-1.4 -0.829 25.5-166.4 -95.1 117.0 129.5 146.5 57.6 31 31 A C E -eF 75 43B 1 43,-3.5 45,-3.0 -2,-0.7 2,-0.4 -0.588 31.2-150.7-107.5 165.1 132.5 144.7 59.1 32 32 A V E - F 0 42B 71 10,-2.0 10,-1.3 -2,-0.2 2,-0.5 -0.873 27.2-155.4-129.6 88.2 133.9 143.2 62.3 33 33 A F E - F 0 41B 86 -2,-0.4 8,-0.3 8,-0.2 5,-0.0 -0.590 9.8-162.8 -73.4 116.9 137.6 143.5 61.9 34 34 A S - 0 0 39 6,-1.0 7,-0.2 -2,-0.5 -1,-0.2 0.612 24.5-141.5 -75.1 -10.9 139.4 141.0 64.1 35 35 A G + 0 0 50 5,-0.8 3,-0.1 2,-0.2 6,-0.1 0.748 66.0 123.2 57.3 26.1 142.7 143.0 63.8 36 36 A R S S- 0 0 57 1,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.393 87.9 -17.2 -93.2 -1.3 144.8 139.8 63.5 37 37 A F S > S- 0 0 134 3,-0.1 3,-2.4 0, 0.0 -1,-0.4 -0.783 103.6 -45.7 167.4 152.4 146.1 141.1 60.2 38 38 A E T 3 S- 0 0 171 1,-0.3 24,-0.0 -2,-0.2 -2,-0.0 -0.027 126.7 -6.1 -36.7 113.9 145.2 143.6 57.5 39 39 A D T 3 S+ 0 0 40 1,-0.2 23,-0.5 22,-0.1 -1,-0.3 0.762 92.4 159.3 67.0 28.4 141.5 143.3 56.8 40 40 A S < + 0 0 2 -3,-2.4 -6,-1.0 21,-0.1 -5,-0.8 -0.544 33.1 57.0 -80.5 148.8 141.0 140.3 59.0 41 41 A G E S-F 33 0B 23 -8,-0.3 20,-2.2 -2,-0.2 21,-0.4 -0.809 74.9 -86.2 128.3-170.7 137.5 139.6 60.2 42 42 A A E -FG 32 60B 38 -10,-1.3 -10,-2.0 18,-0.3 2,-0.6 -0.665 37.1 -88.7-130.0-175.8 134.1 139.0 58.6 43 43 A V E -F 31 0B 5 16,-1.2 15,-2.1 -12,-0.2 -12,-0.3 -0.883 21.0-169.8-102.0 120.8 131.0 140.8 57.3 44 44 A A E S- 0 0 31 -14,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.969 72.6 -44.7 -68.8 -52.3 128.3 141.6 59.9 45 45 A T E -F 30 0B 19 -15,-1.4 -15,-3.4 -3,-0.1 -1,-0.3 -0.965 51.5-149.7-172.0 161.4 126.0 142.5 56.9 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.955 26.5-108.6-138.4 155.7 125.8 144.4 53.7 47 47 A N >> - 0 0 0 -19,-1.9 4,-1.1 -2,-0.3 3,-0.7 -0.153 44.8 -92.9 -75.2 179.3 123.1 146.3 51.8 48 48 A Y H 3> S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.784 119.3 69.6 -67.3 -27.4 121.6 144.9 48.6 49 49 A E H 34 S+ 0 0 64 1,-0.2 4,-0.3 -23,-0.2 -1,-0.2 0.920 111.3 35.8 -54.3 -40.0 123.9 146.8 46.2 50 50 A A H <4>S+ 0 0 0 -3,-0.7 5,-0.8 -22,-0.2 -1,-0.2 0.683 111.4 61.4 -87.3 -21.7 126.6 144.4 47.6 51 51 A R H ><5S+ 0 0 86 -4,-1.1 3,-2.5 1,-0.2 -2,-0.2 0.863 92.3 59.8 -76.4 -39.1 124.5 141.3 48.0 52 52 A K T 3<5S+ 0 0 156 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.801 107.4 53.4 -61.1 -20.0 123.4 140.7 44.4 53 53 A F T 3 5S- 0 0 120 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.301 127.0 -98.5 -94.8 7.7 127.2 140.5 43.9 54 54 A G T < 5S+ 0 0 37 -3,-2.5 2,-0.7 1,-0.2 -3,-0.2 -0.211 81.1 129.7 108.4 -46.0 127.8 137.8 46.5 55 55 A V < + 0 0 0 -5,-0.8 -1,-0.2 9,-0.1 2,-0.2 -0.242 36.6 151.9 -51.8 96.2 128.9 139.9 49.5 56 56 A K > - 0 0 132 -2,-0.7 3,-0.8 -3,-0.1 2,-0.3 -0.488 51.1 -63.0-116.7-172.9 126.6 138.5 52.2 57 57 A A T 3 S+ 0 0 60 1,-0.2 -13,-0.2 -2,-0.2 -12,-0.1 -0.602 114.0 25.5 -79.5 130.3 126.8 138.1 55.9 58 58 A G T 3 S+ 0 0 59 -15,-2.1 -1,-0.2 1,-0.4 -14,-0.1 0.251 84.7 120.8 106.9 -13.7 129.5 135.8 57.3 59 59 A I S < S- 0 0 26 -3,-0.8 -16,-1.2 1,-0.1 -1,-0.4 -0.529 72.8 -91.4 -84.1 152.8 132.1 135.9 54.5 60 60 A P B > -G 42 0B 59 0, 0.0 4,-2.1 0, 0.0 -18,-0.3 -0.233 26.2-126.4 -60.1 149.5 135.7 137.1 55.2 61 61 A I H > S+ 0 0 0 -20,-2.2 4,-1.9 1,-0.2 5,-0.2 0.942 113.2 55.5 -61.4 -42.0 136.3 140.7 54.8 62 62 A V H > S+ 0 0 52 -23,-0.5 4,-1.1 -21,-0.4 -1,-0.2 0.911 107.2 46.9 -56.6 -45.8 139.2 139.7 52.6 63 63 A E H > S+ 0 0 90 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.893 110.5 53.6 -64.8 -36.3 137.0 137.6 50.3 64 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.814 104.8 54.7 -67.0 -31.7 134.4 140.4 50.1 65 65 A K H < S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.752 101.9 57.7 -73.8 -25.7 137.1 142.9 49.0 66 66 A K H < S+ 0 0 144 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.841 113.2 40.4 -71.5 -34.1 138.1 140.6 46.1 67 67 A I H < S+ 0 0 82 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.932 134.6 16.6 -79.6 -51.1 134.5 140.8 44.8 68 68 A L >< + 0 0 25 -4,-2.4 3,-1.3 1,-0.1 -1,-0.2 -0.579 67.8 169.1-124.0 68.4 133.7 144.4 45.4 69 69 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.682 77.6 50.8 -54.6 -16.8 137.1 146.1 45.9 70 70 A N T 3 S+ 0 0 158 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 -0.200 82.4 110.6-119.4 45.7 135.4 149.5 45.6 71 71 A A S < S- 0 0 13 -3,-1.3 2,-0.5 -45,-0.1 -43,-0.2 -0.821 78.6 -94.5-113.4 154.8 132.5 149.3 48.1 72 72 A V E -e 28 0B 37 -45,-2.3 -43,-3.7 -2,-0.3 2,-0.6 -0.578 39.9-165.2 -71.4 119.3 132.2 151.2 51.3 73 73 A Y E -e 29 0B 37 -2,-0.5 -43,-0.2 -45,-0.2 -45,-0.1 -0.938 11.7-176.1-108.6 117.2 133.5 149.0 54.1 74 74 A L E -e 30 0B 35 -45,-3.0 -43,-3.5 -2,-0.6 2,-0.4 -0.918 28.3-115.8-122.2 143.2 132.5 150.2 57.6 75 75 A P E -e 31 0B 81 0, 0.0 -43,-0.2 0, 0.0 -45,-0.1 -0.580 43.7-107.0 -75.6 126.7 133.3 149.0 61.1 76 76 A M - 0 0 67 -45,-3.0 2,-0.3 -2,-0.4 -43,-0.1 -0.196 26.8-164.6 -53.9 136.7 130.2 147.9 62.9 77 77 A R >> + 0 0 96 1,-0.2 4,-1.9 -3,-0.1 3,-0.5 -0.629 9.6 178.4-126.7 71.0 128.8 150.2 65.7 78 78 A K H 3> S+ 0 0 85 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.848 76.8 54.8 -37.7 -56.8 126.4 147.9 67.6 79 79 A E H 3> S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.898 106.2 50.0 -48.1 -54.2 125.5 150.6 70.2 80 80 A V H <> S+ 0 0 42 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.946 116.2 43.3 -52.9 -48.5 124.5 153.2 67.6 81 81 A Y H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.899 109.5 57.9 -64.7 -40.0 122.3 150.5 65.9 82 82 A Q H X S+ 0 0 86 -4,-3.5 4,-1.8 -5,-0.3 -1,-0.2 0.871 109.0 45.3 -58.5 -37.8 121.1 149.3 69.3 83 83 A Q H X S+ 0 0 131 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.908 109.7 53.2 -73.7 -40.4 119.8 152.8 70.1 84 84 A V H X S+ 0 0 8 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.861 108.4 52.5 -61.9 -35.2 118.2 153.2 66.7 85 85 A S H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.959 105.1 54.5 -63.6 -51.8 116.3 149.9 67.2 86 86 A S H X S+ 0 0 51 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.895 107.1 49.9 -49.2 -49.3 114.9 151.1 70.6 87 87 A R H >X S+ 0 0 107 -4,-2.0 4,-1.6 1,-0.2 3,-1.5 0.963 113.9 45.0 -58.0 -49.5 113.4 154.2 69.1 88 88 A I H 3X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.829 106.4 62.0 -61.7 -32.5 111.8 152.2 66.3 89 89 A M H 3X S+ 0 0 5 -4,-2.8 4,-0.9 1,-0.2 -1,-0.3 0.647 103.7 50.4 -68.6 -15.6 110.7 149.6 69.0 90 90 A N H < S+ 0 0 0 -4,-1.5 3,-2.5 1,-0.2 4,-0.3 0.881 100.8 60.2 -67.4 -40.9 105.6 150.0 67.4 93 93 A R H >< S+ 0 0 115 -4,-0.9 3,-2.9 1,-0.3 -1,-0.2 0.933 95.2 64.3 -52.6 -46.1 104.5 149.8 71.0 94 94 A E T 3< S+ 0 0 148 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.528 99.2 56.2 -56.8 -3.6 102.1 152.6 70.3 95 95 A Y T < S- 0 0 35 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.471 124.0 -5.5-107.0 -6.3 100.4 150.1 68.0 96 96 A S < - 0 0 0 -3,-2.9 -1,-0.3 -4,-0.3 15,-0.1 -0.653 47.5-142.8 172.7 130.2 99.7 147.3 70.5 97 97 A E S S+ 0 0 129 -2,-0.2 2,-1.3 1,-0.1 -1,-0.1 0.970 92.4 76.6 -63.1 -55.2 100.5 146.5 74.1 98 98 A K S S+ 0 0 83 12,-0.3 12,-2.5 11,-0.1 2,-0.4 -0.421 72.1 151.5 -61.4 95.7 101.0 142.8 73.4 99 99 A I E -C 109 0A 10 -2,-1.3 2,-0.5 10,-0.2 10,-0.2 -0.995 33.9-162.0-135.3 138.1 104.4 143.2 71.8 100 100 A E E -C 108 0A 0 8,-3.0 8,-3.0 -2,-0.4 2,-0.9 -0.919 8.0-155.5-126.3 106.9 107.4 140.8 71.6 101 101 A I E +C 107 0A 59 -2,-0.5 6,-0.3 6,-0.2 139,-0.1 -0.698 15.8 179.0 -80.3 105.5 110.8 142.2 70.8 102 102 A A E - 0 0 25 4,-1.2 2,-0.3 -2,-0.9 5,-0.2 0.698 57.3 -34.7 -83.2 -22.2 112.6 139.2 69.3 103 103 A S E > S-C 106 0A 49 3,-1.5 3,-0.9 0, 0.0 -1,-0.2 -0.964 86.7 -52.2-176.7-171.4 115.9 140.8 68.5 104 104 A I T 3 S+ 0 0 28 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 0.633 136.3 14.5 -60.0 -10.4 117.7 144.0 67.4 105 105 A D T 3 S+ 0 0 36 1,-0.1 -97,-1.4 -99,-0.0 2,-0.4 0.196 109.9 82.3-152.5 21.0 115.4 144.2 64.5 106 106 A E E < +AC 7 103A 33 -3,-0.9 -3,-1.5 -99,-0.2 -4,-1.2 -0.990 41.7 167.0-133.0 142.5 112.4 141.9 64.9 107 107 A A E -AC 6 101A 0 -101,-1.6 -101,-2.4 -2,-0.4 2,-0.5 -0.964 22.4-146.2-155.2 135.7 109.2 142.4 66.8 108 108 A Y E -AC 5 100A 17 -8,-3.0 -8,-3.0 -2,-0.3 2,-0.5 -0.890 14.6-161.9-104.7 133.7 106.0 140.5 66.9 109 109 A L E -AC 4 99A 0 -105,-2.6 -105,-2.9 -2,-0.5 2,-1.0 -0.968 11.2-149.6-119.1 127.5 102.8 142.5 67.4 110 110 A D E +A 3 0A 11 -12,-2.5 3,-0.3 -2,-0.5 -12,-0.3 -0.807 25.5 165.5 -94.8 99.6 99.6 140.9 68.5 111 111 A I > + 0 0 0 -109,-1.5 4,-2.5 -2,-1.0 -1,-0.1 0.101 27.3 131.3-101.1 23.2 96.9 143.1 66.9 112 112 A S T 4 S+ 0 0 39 -110,-0.3 -1,-0.2 1,-0.2 -109,-0.1 0.810 84.8 28.3 -41.9 -41.2 94.1 140.5 67.5 113 113 A D T 4 S+ 0 0 104 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.947 113.8 60.1 -84.9 -66.8 92.0 143.3 69.0 114 114 A K T 4 S+ 0 0 86 -4,-0.2 2,-0.3 -19,-0.1 -2,-0.2 0.754 113.2 37.5 -27.9 -50.3 93.3 146.4 67.2 115 115 A V < - 0 0 8 -4,-2.5 3,-0.1 -113,-0.1 -113,-0.0 -0.753 64.7-154.0-110.6 157.3 92.3 144.9 63.8 116 116 A R S S- 0 0 199 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.395 70.8 -17.4-112.3 3.4 89.3 142.8 62.7 117 117 A D S > S- 0 0 62 1,-0.1 4,-2.1 -115,-0.0 -1,-0.2 -0.965 81.4 -72.0 175.2 178.8 90.7 140.9 59.7 118 118 A Y H > S+ 0 0 53 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.758 121.0 58.1 -65.5 -26.2 93.4 140.7 57.1 119 119 A R H > S+ 0 0 162 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.984 114.4 36.1 -65.0 -58.5 92.1 143.7 55.1 120 120 A E H > S+ 0 0 60 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.811 118.6 54.2 -62.9 -32.8 92.4 146.1 58.0 121 121 A A H >X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 3,-0.6 0.959 105.5 49.8 -67.1 -54.2 95.5 144.3 59.2 122 122 A Y H 3X S+ 0 0 93 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.850 111.1 52.4 -53.8 -34.5 97.3 144.7 55.9 123 123 A N H 3X S+ 0 0 68 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.836 104.3 54.3 -71.1 -33.1 96.4 148.4 56.1 124 124 A L H S+ 0 0 1 -4,-1.9 4,-1.7 -3,-0.2 6,-1.2 0.840 110.3 53.6 -73.2 -32.9 108.8 154.1 60.7 133 133 A L H <5S+ 0 0 78 -4,-1.7 4,-0.2 4,-0.3 -2,-0.2 0.874 114.9 41.7 -67.4 -35.3 109.9 155.3 57.3 134 134 A E H <5S+ 0 0 125 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.942 118.2 41.3 -76.3 -52.2 108.9 158.9 58.3 135 135 A K H <5S+ 0 0 112 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.862 138.4 9.0 -67.1 -41.7 110.1 159.0 61.9 136 136 A E T <5S- 0 0 34 -4,-1.7 -3,-0.2 -5,-0.2 -1,-0.2 0.506 96.3-119.7-117.2 -11.5 113.5 157.2 61.6 137 137 A K < + 0 0 144 -5,-0.8 2,-0.4 1,-0.2 -4,-0.3 0.925 65.0 137.8 69.7 47.0 113.8 157.0 57.8 138 138 A I - 0 0 0 -6,-1.2 2,-0.3 -9,-0.2 -1,-0.2 -0.985 46.5-141.9-131.7 132.4 114.0 153.2 57.7 139 139 A T + 0 0 26 -2,-0.4 -130,-1.8 -130,-0.1 2,-0.3 -0.682 27.0 173.6 -87.9 140.6 112.3 150.6 55.4 140 140 A V E -B 8 0A 0 -2,-0.3 2,-0.4 -132,-0.2 -132,-0.2 -0.858 27.5-120.1-138.7 172.6 111.1 147.4 56.9 141 141 A T E -B 7 0A 0 -134,-1.5 -134,-1.9 -2,-0.3 2,-0.4 -0.960 21.4-151.7-120.6 138.0 109.1 144.3 55.9 142 142 A V E -Bd 6 163A 0 20,-2.8 22,-2.0 -2,-0.4 2,-0.4 -0.932 8.2-170.2-115.8 131.4 105.9 143.3 57.4 143 143 A G E -Bd 5 164A 0 -138,-2.1 -138,-3.5 -2,-0.4 2,-0.4 -0.955 6.8-171.8-117.0 135.3 104.5 139.7 57.6 144 144 A I E +Bd 4 165A 0 20,-2.0 22,-3.2 -2,-0.4 2,-0.2 -0.989 22.4 123.1-133.7 127.6 100.9 139.1 58.8 145 145 A S E -B 3 0A 0 -142,-1.6 -142,-3.1 -2,-0.4 22,-0.1 -0.876 67.5 -71.8-160.0-170.6 99.3 135.7 59.5 146 146 A K S S+ 0 0 31 20,-0.5 2,-0.3 -2,-0.2 21,-0.1 0.856 108.4 9.3 -64.4 -42.1 97.5 133.5 62.0 147 147 A N S > S- 0 0 0 -144,-0.1 4,-2.4 -145,-0.1 5,-0.2 -0.919 84.0 -96.3-139.2 164.4 100.5 132.8 64.3 148 148 A K H > S+ 0 0 8 87,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.866 116.0 56.0 -48.9 -50.8 104.0 134.1 64.9 149 149 A V H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 115.2 38.1 -51.2 -53.4 105.8 131.4 62.9 150 150 A F H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.831 111.0 58.8 -68.4 -33.0 103.8 132.1 59.8 151 151 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.898 110.3 45.5 -61.3 -38.0 103.8 135.9 60.4 152 152 A K H X S+ 0 0 30 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.906 110.4 51.9 -70.7 -43.3 107.6 135.5 60.3 153 153 A I H X S+ 0 0 7 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.923 105.3 57.2 -58.6 -41.8 107.5 133.3 57.2 154 154 A A H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.880 107.5 48.2 -55.7 -39.6 105.4 136.0 55.5 155 155 A A H X S+ 0 0 0 -4,-1.2 4,-1.4 1,-0.2 3,-0.5 0.919 105.3 56.7 -67.6 -45.3 108.1 138.5 56.2 156 156 A D H < S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.6 48.6 -57.6 -28.3 110.9 136.3 54.8 157 157 A M H < S+ 0 0 101 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.793 111.1 47.8 -82.7 -29.0 108.9 136.1 51.6 158 158 A A H < S+ 0 0 24 -4,-1.2 -2,-0.2 -3,-0.5 5,-0.2 0.598 88.6 157.9 -91.2 -11.9 108.3 139.8 51.1 159 159 A K < + 0 0 73 -4,-1.4 2,-0.1 3,-0.1 4,-0.0 -0.248 36.7 48.8 -69.7 154.5 111.7 141.4 51.7 160 160 A P S S- 0 0 60 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.548 131.8 -26.5 -85.0 165.0 113.2 143.8 51.2 161 161 A N S S+ 0 0 81 1,-0.1 2,-0.3 -22,-0.1 -20,-0.2 0.873 107.0 120.3 32.8 73.9 110.9 146.6 52.1 162 162 A G - 0 0 14 -22,-0.1 -20,-2.8 -7,-0.1 2,-0.3 -0.881 51.0-139.7-149.3 179.8 107.7 144.7 51.6 163 163 A I E +d 142 0A 29 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.992 19.1 172.5-149.8 145.1 104.5 143.4 53.1 164 164 A K E -d 143 0A 53 -22,-2.0 -20,-2.0 -2,-0.3 2,-0.4 -0.994 18.9-146.5-154.8 149.3 102.5 140.2 52.8 165 165 A V E -d 144 0A 31 -2,-0.3 2,-0.7 -22,-0.2 -20,-0.2 -0.975 5.7-156.8-123.9 130.2 99.6 138.4 54.4 166 166 A I - 0 0 0 -22,-3.2 -20,-0.5 -2,-0.4 2,-0.2 -0.910 16.5-162.7-108.5 107.9 99.3 134.6 54.8 167 167 A D >> - 0 0 54 -2,-0.7 4,-2.4 -22,-0.1 3,-2.0 -0.625 36.9 -99.3 -89.5 148.5 95.7 133.6 55.1 168 168 A D H 3> S+ 0 0 71 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.720 124.6 55.9 -33.7 -37.9 94.5 130.2 56.5 169 169 A E H 3> S+ 0 0 150 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.915 112.8 40.0 -65.6 -44.5 94.1 128.9 52.9 170 170 A E H <> S+ 0 0 37 -3,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.820 108.2 62.4 -73.3 -32.9 97.7 129.8 52.1 171 171 A V H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.8 0.965 106.7 47.3 -53.6 -50.4 98.8 128.5 55.5 172 172 A K H 3< S+ 0 0 122 -4,-2.1 4,-0.3 1,-0.3 -2,-0.2 0.868 107.8 50.6 -61.0 -44.9 97.5 125.2 54.3 173 173 A R H 3X S+ 0 0 85 -4,-1.6 4,-1.4 1,-0.2 -1,-0.3 0.657 115.9 48.3 -70.5 -10.0 99.1 125.1 50.9 174 174 A L H -H 201 0C 67 -2,-0.4 3,-3.4 22,-0.2 22,-0.2 -0.573 18.4-135.0 -71.6 116.0 110.5 123.7 52.5 180 180 A I G > S+ 0 0 1 20,-2.3 3,-1.0 -2,-0.5 -1,-0.1 0.686 102.6 63.5 -45.4 -25.4 111.2 122.3 56.0 181 181 A A G 3 S+ 0 0 49 19,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.716 95.8 59.0 -75.3 -20.0 114.5 124.2 56.0 182 182 A D G < S+ 0 0 108 -3,-3.4 -1,-0.2 2,-0.1 -2,-0.2 0.203 77.6 114.3 -94.6 17.0 112.8 127.5 55.8 183 183 A V S X S- 0 0 3 -3,-1.0 3,-1.5 3,-0.2 -33,-0.1 -0.797 76.1-110.3 -92.3 119.3 110.8 126.9 59.1 184 184 A P T 3 S+ 0 0 24 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.118 103.5 27.0 -45.8 132.1 111.8 129.4 61.9 185 185 A G T 3 S+ 0 0 61 1,-0.1 2,-0.6 -36,-0.0 -3,-0.1 0.507 95.4 106.3 90.0 4.1 113.7 127.6 64.7 186 186 A I < - 0 0 11 -3,-1.5 -3,-0.2 -5,-0.1 -1,-0.1 -0.763 51.9-174.9-119.4 83.2 115.0 124.9 62.4 187 187 A G > - 0 0 50 -2,-0.6 4,-2.6 -5,-0.1 3,-0.3 -0.060 44.1 -83.2 -69.4 175.9 118.7 125.6 61.8 188 188 A N H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 125.5 52.9 -45.9 -58.0 120.9 123.7 59.4 189 189 A I H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 115.0 40.4 -50.3 -45.8 121.8 120.9 61.7 190 190 A T H > S+ 0 0 15 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.850 112.0 56.0 -73.9 -33.0 118.1 120.1 62.5 191 191 A A H < S+ 0 0 11 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.839 109.8 48.8 -65.1 -31.1 117.1 120.6 58.9 192 192 A E H >X S+ 0 0 120 -4,-2.3 3,-1.8 -5,-0.3 4,-1.5 0.955 108.5 49.1 -72.1 -54.7 119.7 118.0 58.0 193 193 A K H 3< S+ 0 0 73 -4,-2.1 4,-0.3 1,-0.3 -2,-0.2 0.859 109.6 55.4 -53.6 -36.3 118.6 115.4 60.5 194 194 A L T 3<>S+ 0 0 0 -4,-1.9 5,-1.5 1,-0.2 -1,-0.3 0.671 101.4 59.2 -71.0 -17.0 115.1 116.0 59.2 195 195 A K T X45S+ 0 0 97 -3,-1.8 3,-2.2 -4,-0.4 -2,-0.2 0.909 99.4 54.0 -76.1 -45.3 116.3 115.1 55.7 196 196 A K T 3<5S+ 0 0 142 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.573 106.1 56.3 -65.3 -9.3 117.5 111.7 56.7 197 197 A L T 3 5S- 0 0 19 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.364 116.5-114.0-102.9 2.7 114.0 111.1 58.0 198 198 A G T < 5S+ 0 0 48 -3,-2.2 2,-1.1 1,-0.2 3,-0.2 0.477 72.9 137.6 79.6 1.1 112.4 111.9 54.7 199 199 A I < + 0 0 0 -5,-1.5 -1,-0.2 1,-0.2 -2,-0.2 -0.709 8.6 144.7 -84.2 97.6 110.7 115.0 56.2 200 200 A N + 0 0 54 -2,-1.1 -20,-2.3 1,-0.2 2,-0.3 0.564 62.7 44.5-108.5 -17.3 111.2 117.6 53.5 201 201 A K B > S-H 179 0C 70 -22,-0.2 3,-1.0 -3,-0.2 4,-0.4 -0.963 91.2-109.2-129.8 146.4 108.0 119.5 53.9 202 202 A L G > S+ 0 0 1 -24,-1.1 3,-1.2 -2,-0.3 -26,-0.2 0.835 117.4 61.4 -40.9 -38.6 106.3 120.7 57.1 203 203 A V G > S+ 0 0 46 -28,-0.6 3,-3.0 1,-0.2 4,-0.3 0.916 83.9 73.5 -57.1 -49.9 103.7 118.0 56.4 204 204 A D G X> S+ 0 0 40 -3,-1.0 3,-0.8 1,-0.3 4,-0.6 0.612 78.6 78.1 -42.2 -19.4 106.0 115.0 56.6 205 205 A T G <4 S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.666 87.1 60.9 -68.2 -13.9 106.2 115.3 60.3 206 206 A L G <4 S+ 0 0 85 -3,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.759 98.1 54.5 -84.2 -25.9 102.8 113.7 60.5 207 207 A S T <4 S+ 0 0 82 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.2 0.597 93.0 84.5 -84.3 -12.2 103.8 110.4 58.9 208 208 A I S < S- 0 0 39 -4,-0.6 2,-0.4 -3,-0.1 -11,-0.0 -0.773 88.0-110.8 -97.5 135.3 106.7 109.7 61.3 209 209 A E >> - 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