==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, TRANSFERASE 19-SEP-03 1QZZ . COMPND 2 MOLECULE: ACLACINOMYCIN-10-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PURPURASCENS; . AUTHOR A.JANSSON,J.NIEMI,Y.LINDQVIST,P.MANTSALA,G.SCHNEIDER,STRUCTU . 341 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 2 2 1 4 0 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 L 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.0 -16.1 55.4 42.2 2 11 A E - 0 0 174 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.955 360.0-127.1-118.4 117.3 -17.2 55.5 38.6 3 12 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.317 22.2-135.7 -60.9 140.5 -14.7 54.4 35.9 4 13 A T > - 0 0 68 1,-0.1 4,-1.7 -2,-0.0 5,-0.1 -0.369 26.5-105.7 -87.0 173.5 -14.1 56.8 33.1 5 14 A D H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.808 124.9 57.6 -66.6 -30.3 -13.9 55.8 29.4 6 15 A Q H > S+ 0 0 151 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.845 102.2 53.3 -68.5 -35.8 -10.1 56.3 29.8 7 16 A D H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.954 110.4 47.1 -62.8 -49.2 -10.0 53.8 32.6 8 17 A L H X S+ 0 0 92 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.900 112.0 50.2 -59.5 -43.8 -11.8 51.2 30.4 9 18 A D H X S+ 0 0 71 -4,-2.3 4,-2.6 2,-0.2 5,-0.4 0.912 110.3 49.4 -61.0 -45.1 -9.4 52.0 27.5 10 19 A V H X>S+ 0 0 70 -4,-2.4 4,-1.8 1,-0.2 5,-1.3 0.884 111.6 49.7 -65.4 -36.8 -6.3 51.6 29.7 11 20 A L H <>S+ 0 0 88 -4,-2.3 5,-2.6 3,-0.2 6,-0.3 0.927 115.2 43.5 -65.5 -46.0 -7.6 48.3 31.0 12 21 A L H <5S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 123.5 33.2 -68.6 -39.8 -8.3 46.9 27.5 13 22 A K H <5S+ 0 0 137 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.741 135.8 8.9 -89.4 -26.4 -5.1 48.1 25.8 14 23 A N T ><5S+ 0 0 103 -4,-1.8 3,-1.3 -5,-0.4 -3,-0.2 0.694 121.4 35.6-117.2 -82.6 -2.8 47.7 28.7 15 24 A L T 3 + 0 0 131 -2,-0.8 4,-0.6 2,-0.1 -1,-0.2 0.557 67.6 64.7-100.3 -11.9 -2.5 39.5 27.3 19 28 A V H > S+ 0 0 99 2,-0.2 4,-2.2 3,-0.1 3,-0.4 0.933 96.3 51.5 -78.3 -49.6 -2.4 39.5 23.5 20 29 A T H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.929 106.0 53.3 -57.5 -50.4 0.1 42.3 22.9 21 30 A P H > S+ 0 0 47 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.812 110.5 49.3 -58.2 -29.1 2.8 41.0 25.2 22 31 A M H X S+ 0 0 71 -4,-0.6 4,-3.1 -3,-0.4 5,-0.2 0.897 108.4 53.1 -74.9 -38.4 2.7 37.7 23.4 23 32 A A H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.900 108.7 50.3 -59.8 -40.7 2.9 39.5 20.0 24 33 A L H X S+ 0 0 27 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.924 111.0 48.8 -62.4 -41.8 6.0 41.2 21.4 25 34 A R H X S+ 0 0 33 -4,-1.6 4,-2.6 2,-0.2 78,-0.5 0.917 112.7 46.6 -65.4 -43.0 7.5 37.9 22.4 26 35 A V H X S+ 0 0 52 -4,-3.1 4,-1.9 2,-0.2 6,-0.3 0.933 112.6 52.3 -64.1 -39.5 6.7 36.3 19.0 27 36 A A H <>S+ 0 0 2 -4,-2.7 5,-1.6 -5,-0.2 6,-0.4 0.939 112.9 43.1 -61.3 -47.3 8.2 39.5 17.4 28 37 A A H ><5S+ 0 0 1 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.909 112.6 53.2 -62.8 -41.6 11.4 39.2 19.4 29 38 A T H 3<5S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 109.1 48.1 -66.0 -33.3 11.7 35.4 18.9 30 39 A L T 3<5S- 0 0 41 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.393 105.2-128.3 -87.3 -1.5 11.4 35.7 15.1 31 40 A R T <>5 + 0 0 91 -3,-1.3 4,-2.8 -4,-0.3 5,-0.3 0.797 51.6 160.1 53.8 30.0 14.0 38.5 15.0 32 41 A L H >< + 0 0 0 -5,-1.6 4,-2.0 -6,-0.3 5,-0.2 0.894 68.5 48.2 -46.5 -49.7 11.5 40.3 13.0 33 42 A V H > S+ 0 0 2 -6,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.897 111.3 49.8 -65.8 -38.4 13.1 43.7 13.8 34 43 A D H > S+ 0 0 32 55,-0.3 4,-1.5 -3,-0.2 -2,-0.2 0.922 109.7 51.6 -62.5 -45.9 16.5 42.4 12.8 35 44 A H H <>S+ 0 0 55 -4,-2.8 5,-2.1 1,-0.2 -1,-0.2 0.854 110.4 48.9 -63.4 -33.1 15.2 41.0 9.6 36 45 A L H ><5S+ 0 0 11 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 0.931 109.6 50.9 -70.0 -43.3 13.6 44.3 8.7 37 46 A L H 3<5S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.741 104.9 59.0 -66.3 -23.1 16.8 46.3 9.5 38 47 A A T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.253 135.4 -77.7 -88.1 7.8 18.8 43.9 7.3 39 48 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 1,-0.4 -2,-0.1 0.167 87.1 130.0 120.7 -23.9 16.6 44.8 4.2 40 49 A A < + 0 0 2 -5,-2.1 -1,-0.4 1,-0.2 3,-0.1 -0.455 16.2 155.9 -62.2 135.3 13.3 43.0 4.5 41 50 A D + 0 0 84 -2,-0.1 39,-2.0 1,-0.1 2,-0.3 0.250 50.4 68.3-146.6 11.7 10.6 45.5 3.9 42 51 A T S > S- 0 0 73 37,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.928 79.7-120.4-130.6 156.9 7.7 43.4 2.7 43 52 A L H > S+ 0 0 56 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.900 114.8 47.8 -60.7 -44.1 5.5 40.8 4.3 44 53 A A H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.877 112.0 53.6 -68.9 -32.0 6.4 38.0 2.0 45 54 A G H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 111.9 41.6 -63.8 -52.0 10.0 39.0 2.5 46 55 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.903 115.0 52.6 -61.3 -43.9 9.7 38.8 6.3 47 56 A A H X>S+ 0 0 5 -4,-3.0 5,-1.7 2,-0.2 4,-1.3 0.919 107.2 51.7 -59.3 -47.3 7.7 35.6 6.0 48 57 A D H ><5S+ 0 0 111 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.929 112.1 46.3 -55.4 -47.7 10.3 34.0 3.8 49 58 A R H 3<5S+ 0 0 122 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.731 119.3 40.1 -70.0 -23.5 13.1 34.8 6.2 50 59 A T H 3<5S- 0 0 19 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.469 100.6-127.5-102.8 -2.5 11.1 33.6 9.3 51 60 A D T <<5 + 0 0 152 -4,-1.3 2,-0.3 -3,-0.5 -3,-0.2 0.919 61.4 147.3 55.1 42.1 9.5 30.5 7.7 52 61 A T < - 0 0 36 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.708 61.6 -90.5-108.6 162.8 6.2 31.8 8.9 53 62 A H > - 0 0 117 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 -0.586 37.3-141.2 -69.9 114.6 2.7 31.7 7.6 54 63 A P H > S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.856 97.2 43.0 -50.2 -46.7 2.4 34.8 5.3 55 64 A Q H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.946 115.0 48.0 -68.5 -47.6 -1.2 35.6 6.3 56 65 A A H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 112.2 51.0 -57.6 -40.8 -0.8 34.9 10.0 57 66 A L H X S+ 0 0 5 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.892 105.2 55.3 -64.6 -41.2 2.4 37.0 10.0 58 67 A S H X S+ 0 0 26 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.891 108.5 50.3 -58.0 -37.3 0.6 39.9 8.3 59 68 A R H X S+ 0 0 150 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.875 111.2 45.9 -70.5 -38.1 -1.9 39.8 11.1 60 69 A L H X S+ 0 0 30 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.906 113.8 52.3 -66.4 -40.4 0.8 39.8 13.8 61 70 A V H X S+ 0 0 12 -4,-3.3 4,-1.3 1,-0.2 -2,-0.2 0.889 105.6 51.5 -66.8 -39.6 2.4 42.6 11.8 62 71 A R H X S+ 0 0 144 -4,-2.7 4,-2.5 2,-0.2 3,-0.3 0.924 113.1 47.3 -59.7 -46.0 -0.8 44.8 11.6 63 72 A H H X S+ 0 0 61 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.924 109.3 51.8 -61.1 -45.2 -1.2 44.4 15.4 64 73 A L H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 6,-1.6 0.746 110.7 51.3 -61.4 -26.0 2.5 45.3 16.0 65 74 A T H ><5S+ 0 0 49 -4,-1.3 3,-1.3 -3,-0.3 -2,-0.2 0.920 108.4 49.1 -76.9 -48.9 1.9 48.4 13.8 66 75 A V H 3<5S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.934 112.1 49.1 -55.8 -44.6 -1.2 49.5 15.7 67 76 A V T 3<5S- 0 0 59 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.490 120.5-107.6 -80.9 0.2 0.6 49.1 19.1 68 77 A G T < 5S+ 0 0 28 -3,-1.3 18,-0.5 2,-0.3 17,-0.3 0.693 88.8 107.7 90.7 23.0 3.6 51.1 17.8 69 78 A V S - 0 0 21 -14,-2.1 4,-1.5 -2,-0.2 -12,-0.1 -0.312 34.7 -91.8 -88.5 178.9 9.6 52.4 15.0 84 93 A R T 4 S+ 0 0 227 2,-0.2 3,-0.5 1,-0.2 4,-0.2 0.928 133.5 45.2 -54.3 -49.5 11.9 54.1 17.5 85 94 A L T >4 S+ 0 0 93 -17,-0.3 3,-2.3 1,-0.2 -1,-0.2 0.956 109.1 58.0 -60.6 -45.4 10.2 52.0 20.3 86 95 A G G >4 S+ 0 0 0 -18,-0.5 3,-2.3 1,-0.3 -1,-0.2 0.740 86.6 75.8 -56.0 -29.2 10.6 48.9 18.0 87 96 A M G >< S+ 0 0 75 -4,-1.5 3,-1.1 -3,-0.5 -1,-0.3 0.621 77.3 78.4 -59.7 -11.7 14.4 49.5 17.8 88 97 A L G < S+ 0 0 57 -3,-2.3 10,-0.6 1,-0.2 9,-0.4 0.803 87.9 56.8 -67.7 -26.5 14.4 48.0 21.3 89 98 A L G < S+ 0 0 8 -3,-2.3 -55,-0.3 -4,-0.2 -1,-0.2 0.481 76.8 118.7 -85.2 -3.4 14.0 44.5 19.7 90 99 A A S X S- 0 0 16 -3,-1.1 3,-2.0 -4,-0.2 8,-0.3 -0.434 77.6-115.2 -61.6 136.2 17.2 44.9 17.6 91 100 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.1 8,-0.1 0.729 107.5 43.2 -46.8 -32.6 19.6 42.2 18.6 92 101 A G T 3 S+ 0 0 72 6,-0.0 -1,-0.3 3,-0.0 -3,-0.1 0.266 72.5 128.0-107.4 16.3 22.3 44.5 20.0 93 102 A H X - 0 0 73 -3,-2.0 3,-2.0 -5,-0.2 5,-0.2 -0.504 63.0-128.7 -69.9 138.5 20.4 47.1 22.0 94 103 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 0.616 106.1 67.8 -65.7 -13.9 22.0 47.3 25.5 95 104 A A T 3 S- 0 0 42 -7,-0.1 5,-0.1 1,-0.0 -2,-0.1 0.519 93.9-147.2 -81.8 -6.8 18.6 46.9 27.1 96 105 A Q X> + 0 0 88 -3,-2.0 4,-2.4 1,-0.1 3,-0.6 0.703 43.6 151.4 51.0 29.3 18.7 43.4 25.7 97 106 A Q H 3> + 0 0 69 -9,-0.4 4,-2.3 1,-0.3 5,-0.2 0.819 66.7 58.9 -64.0 -27.7 14.9 43.4 25.3 98 107 A R H 3> S+ 0 0 16 -10,-0.6 4,-1.0 -8,-0.3 -1,-0.3 0.904 109.2 44.7 -66.5 -37.7 15.1 41.0 22.4 99 108 A A H <4 S+ 0 0 34 -3,-0.6 9,-0.3 2,-0.2 -2,-0.2 0.897 110.7 53.6 -71.2 -41.2 16.8 38.5 24.7 100 109 A W H < S+ 0 0 68 -4,-2.4 8,-0.3 1,-0.2 -2,-0.2 0.914 115.8 39.1 -57.7 -43.3 14.3 39.2 27.5 101 110 A L H < S+ 0 0 23 -4,-2.3 -72,-0.2 -5,-0.2 -1,-0.2 0.640 85.3 123.2 -84.1 -14.1 11.3 38.5 25.2 102 111 A D >< - 0 0 19 -4,-1.0 3,-2.0 -3,-0.2 6,-0.5 -0.281 53.7-152.6 -56.7 114.5 12.9 35.6 23.3 103 112 A L T 3 S+ 0 0 39 -78,-0.5 -1,-0.2 1,-0.3 9,-0.1 0.721 97.3 60.0 -65.1 -21.0 10.7 32.6 23.7 104 113 A N T 3 S+ 0 0 114 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.684 95.4 84.2 -74.5 -22.1 13.8 30.4 23.3 105 114 A G S <> S- 0 0 5 -3,-2.0 4,-2.1 -6,-0.2 5,-0.2 -0.444 88.0-116.7 -84.7 160.5 15.2 32.1 26.4 106 115 A A H > S+ 0 0 1 40,-0.4 4,-2.5 39,-0.3 5,-0.2 0.867 106.6 51.4 -62.8 -43.7 14.5 31.1 30.0 107 116 A V H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 116.0 38.9 -65.3 -49.1 12.8 34.2 31.2 108 117 A S H > S+ 0 0 1 -6,-0.5 4,-1.2 -9,-0.3 -1,-0.2 0.917 115.0 54.1 -67.4 -44.3 10.2 34.4 28.5 109 118 A H H < S+ 0 0 39 -4,-2.1 3,-0.5 -7,-0.5 4,-0.3 0.897 113.4 43.6 -52.8 -45.7 9.8 30.7 28.5 110 119 A A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.841 102.2 66.6 -70.3 -36.4 9.1 30.9 32.2 111 120 A D H >< S+ 0 0 15 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.785 89.4 67.3 -54.4 -32.4 6.8 33.9 31.8 112 121 A L G >< S+ 0 0 31 -4,-1.2 3,-1.9 -3,-0.5 -1,-0.3 0.784 83.9 72.1 -61.9 -27.1 4.4 31.6 29.9 113 122 A A G X S+ 0 0 1 -3,-1.9 3,-1.9 -4,-0.3 -1,-0.3 0.572 73.6 88.0 -64.6 -6.8 3.8 29.8 33.2 114 123 A F G X + 0 0 56 -3,-1.9 3,-1.9 1,-0.3 -1,-0.3 0.682 67.1 77.1 -67.2 -14.1 1.9 32.9 34.3 115 124 A T G < S+ 0 0 109 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.722 92.2 55.1 -65.9 -17.4 -1.2 31.3 32.7 116 125 A G G <> S+ 0 0 25 -3,-1.9 4,-1.8 1,-0.2 3,-0.5 0.183 72.6 116.4 -97.5 17.6 -1.2 29.2 35.9 117 126 A L H <> + 0 0 58 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.775 65.9 62.4 -56.7 -34.2 -1.2 32.3 38.2 118 127 A L H > S+ 0 0 106 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.952 107.6 43.3 -58.5 -48.7 -4.7 31.5 39.7 119 128 A D H >>S+ 0 0 100 -3,-0.5 4,-3.4 1,-0.2 5,-0.5 0.907 110.5 57.4 -63.7 -40.9 -3.4 28.3 41.1 120 129 A V H X5S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.914 110.9 42.4 -54.7 -45.6 -0.2 30.1 42.2 121 130 A V H <5S+ 0 0 107 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.850 116.3 50.3 -73.0 -29.7 -2.3 32.6 44.2 122 131 A R H <5S+ 0 0 190 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.923 128.4 17.0 -72.1 -42.9 -4.5 29.7 45.5 123 132 A T H <5S- 0 0 80 -4,-3.4 -3,-0.2 2,-0.2 -2,-0.2 0.611 90.6-126.0-106.6 -18.8 -1.7 27.4 46.7 124 133 A G S < S+ 0 0 15 168,-1.7 4,-1.3 1,-0.1 5,-0.2 0.571 75.2 92.3 -93.7 -13.7 3.4 27.1 38.1 128 137 A Y H >> S+ 0 0 0 167,-1.2 4,-2.9 1,-0.2 3,-0.6 0.893 86.6 43.9 -54.2 -50.0 6.6 26.3 36.2 129 138 A A H 3> S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.894 108.2 59.7 -64.0 -38.9 6.7 22.5 36.7 130 139 A G H 34 S+ 0 0 80 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 114.8 37.0 -58.7 -28.6 3.0 22.3 36.0 131 140 A R H << S+ 0 0 121 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.902 130.1 25.8 -89.5 -44.4 3.7 23.7 32.6 132 141 A Y H < S- 0 0 56 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.549 102.2-109.9-104.0 -7.3 7.0 22.2 31.6 133 142 A G S < S+ 0 0 68 -4,-3.0 -4,-0.2 -5,-0.3 -3,-0.1 -0.032 90.5 45.0 107.7 -31.6 7.2 18.9 33.5 134 143 A R S S- 0 0 97 -6,-0.2 -2,-0.2 2,-0.0 -3,-0.1 -0.962 93.0 -81.1-142.8 158.5 9.9 19.8 36.1 135 144 A P >> - 0 0 56 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.207 49.2-101.8 -62.3 151.4 10.8 22.6 38.4 136 145 A F H 3> S+ 0 0 3 160,-0.6 4,-2.7 1,-0.2 3,-0.3 0.852 117.1 43.5 -37.6 -64.1 12.7 25.7 37.1 137 146 A W H 3> S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 113.7 51.0 -61.0 -33.6 16.2 25.0 38.3 138 147 A E H <> S+ 0 0 107 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.862 111.3 49.7 -69.6 -35.8 16.1 21.3 37.3 139 148 A D H X S+ 0 0 14 -4,-2.3 4,-1.5 -3,-0.3 -2,-0.2 0.967 112.4 46.1 -66.4 -51.2 14.9 22.4 33.8 140 149 A L H < S+ 0 0 6 -4,-2.7 7,-0.5 1,-0.2 -2,-0.2 0.860 110.3 56.3 -58.4 -37.1 17.7 25.0 33.5 141 150 A S H < S+ 0 0 21 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.908 112.7 39.0 -62.2 -44.4 20.2 22.3 34.7 142 151 A A H < S+ 0 0 65 -4,-1.8 2,-0.6 -3,-0.2 -1,-0.2 0.633 114.3 58.9 -81.0 -17.0 19.2 19.8 32.0 143 152 A D >X - 0 0 65 -4,-1.5 4,-2.4 1,-0.1 3,-0.7 -0.843 59.9-171.9-122.6 98.7 18.9 22.5 29.3 144 153 A V H 3> S+ 0 0 77 -2,-0.6 4,-2.9 1,-0.3 5,-0.3 0.784 85.9 59.4 -60.5 -29.0 22.0 24.5 28.6 145 154 A A H 3> S+ 0 0 64 2,-0.2 4,-1.8 1,-0.2 -39,-0.3 0.910 110.6 41.3 -68.1 -38.7 20.2 26.9 26.3 146 155 A L H <> S+ 0 0 9 -3,-0.7 4,-2.9 2,-0.2 -40,-0.4 0.930 116.7 49.9 -70.0 -47.1 17.8 27.9 29.1 147 156 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 -7,-0.5 -2,-0.2 0.930 114.8 41.8 -56.0 -51.9 20.6 28.0 31.6 148 157 A D H X S+ 0 0 79 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.913 115.0 51.4 -67.0 -38.7 22.9 30.2 29.6 149 158 A S H X S+ 0 0 33 -4,-1.8 4,-0.5 -5,-0.3 -2,-0.2 0.892 111.5 47.3 -65.9 -40.4 20.0 32.4 28.4 150 159 A F H >< S+ 0 0 25 -4,-2.9 3,-1.2 1,-0.2 4,-0.3 0.967 114.5 47.2 -62.5 -50.1 18.9 32.9 32.0 151 160 A D H >< S+ 0 0 34 -4,-2.6 3,-1.9 1,-0.2 6,-0.3 0.883 101.5 65.0 -58.8 -39.2 22.4 33.7 33.1 152 161 A A H 3< S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.667 100.9 50.7 -62.6 -16.8 23.1 36.1 30.3 153 162 A L T << S+ 0 0 19 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.3 0.439 92.8 91.7-101.0 -2.9 20.5 38.6 31.5 154 163 A M X - 0 0 57 -3,-1.9 3,-1.4 -4,-0.3 4,-0.2 -0.807 67.4-144.7-101.1 135.0 21.7 38.8 35.1 155 164 A S G > S+ 0 0 27 -2,-0.4 3,-2.0 1,-0.3 6,-0.1 0.803 99.1 69.3 -61.0 -30.1 24.2 41.3 36.4 156 165 A C G 3 S+ 0 0 20 1,-0.3 -1,-0.3 5,-0.1 5,-0.1 0.762 90.0 63.5 -61.2 -22.2 25.6 38.6 38.8 157 166 A D G < S+ 0 0 59 -3,-1.4 -1,-0.3 -6,-0.3 -2,-0.2 0.564 83.2 111.4 -80.2 -6.8 26.9 36.8 35.7 158 167 A E S X S- 0 0 117 -3,-2.0 3,-1.5 -4,-0.2 4,-0.3 -0.214 82.4-104.4 -71.6 159.1 29.3 39.7 34.9 159 168 A D T 3 S+ 0 0 151 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.827 117.5 25.5 -47.0 -49.4 33.1 39.7 35.1 160 169 A L T > S+ 0 0 106 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.150 84.1 123.4-106.5 17.6 33.4 41.7 38.4 161 170 A A T < S+ 0 0 3 -3,-1.5 168,-0.2 1,-0.3 3,-0.2 0.801 78.4 37.7 -48.4 -40.2 30.0 40.9 39.9 162 171 A Y T 3> S+ 0 0 16 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.3 0.413 86.4 96.1-100.3 2.1 31.3 39.4 43.1 163 172 A E H <> S+ 0 0 68 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.943 86.6 46.4 -58.9 -49.5 34.3 41.7 43.9 164 173 A A H > S+ 0 0 26 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.939 114.6 44.1 -63.4 -52.4 32.4 44.0 46.2 165 174 A P H 4 S+ 0 0 1 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.932 115.8 49.5 -56.2 -44.3 30.6 41.3 48.3 166 175 A A H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.844 110.2 51.8 -62.5 -32.4 33.9 39.4 48.5 167 176 A D H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 0.776 100.4 65.5 -71.1 -27.5 35.6 42.6 49.5 168 177 A A T 3< S+ 0 0 31 -4,-1.6 2,-0.4 -3,-0.4 -1,-0.2 0.527 98.0 56.7 -76.1 -9.7 33.0 43.1 52.3 169 178 A Y S < S- 0 0 25 -3,-0.8 2,-0.8 -4,-0.4 -1,-0.0 -0.976 79.4-123.6-129.7 140.9 34.0 40.0 54.4 170 179 A D + 0 0 109 -2,-0.4 3,-0.3 1,-0.2 -3,-0.1 -0.713 31.2 168.2 -83.6 109.4 37.3 38.9 56.0 171 180 A W > + 0 0 9 -2,-0.8 3,-1.5 -5,-0.2 -1,-0.2 0.377 45.4 108.4 -97.9 2.1 38.2 35.5 54.7 172 181 A S T 3 S+ 0 0 93 1,-0.3 -1,-0.2 24,-0.0 25,-0.1 0.806 89.3 30.0 -52.2 -39.0 41.8 35.6 56.1 173 182 A A T 3 S+ 0 0 80 -3,-0.3 2,-0.5 25,-0.0 -1,-0.3 0.362 92.8 115.9-105.3 6.5 41.2 33.1 58.8 174 183 A V < - 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