==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-02 1H1D . COMPND 2 MOLECULE: CATECHOL-O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.ARCHER,M.L.RODRIGUES,P.M.MATIAS,M.J.BONIFACIO, . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 1 0 1 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 3 A D 0 0 114 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 177.8 -33.6 52.1 32.4 2 4 A T > - 0 0 61 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.586 360.0-108.5-107.0 168.4 -31.9 53.5 35.5 3 5 A K H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 120.2 50.9 -59.3 -44.7 -32.6 56.3 38.0 4 6 A E H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 109.4 51.2 -63.3 -35.3 -29.8 58.5 36.6 5 7 A Q H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 108.6 51.5 -69.4 -37.9 -31.2 58.0 33.1 6 8 A R H X S+ 0 0 63 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.878 109.5 50.0 -66.4 -36.9 -34.7 59.0 34.3 7 9 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.947 111.0 48.7 -66.1 -46.9 -33.3 62.2 35.9 8 10 A L H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 112.5 48.1 -58.1 -46.0 -31.4 63.1 32.7 9 11 A R H X S+ 0 0 117 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 108.3 55.5 -62.3 -40.0 -34.5 62.5 30.6 10 12 A Y H X S+ 0 0 58 -4,-2.3 4,-1.0 1,-0.2 5,-0.3 0.921 108.4 48.1 -59.2 -43.3 -36.5 64.6 33.1 11 13 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 3,-0.4 0.906 110.2 51.0 -64.4 -41.7 -34.1 67.5 32.6 12 14 A Q H < S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.9 41.3 -65.2 -34.2 -34.2 67.2 28.8 13 15 A Q H < S+ 0 0 138 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.556 131.1 24.3 -90.2 -8.9 -38.0 67.3 28.7 14 16 A N H < S+ 0 0 90 -4,-1.0 -3,-0.2 -3,-0.4 -2,-0.2 0.664 103.3 75.8-127.4 -29.0 -38.4 70.0 31.4 15 17 A A S < S- 0 0 12 -4,-3.1 8,-0.1 -5,-0.3 6,-0.0 -0.412 79.7-108.3 -86.7 166.0 -35.3 72.2 31.7 16 18 A K > - 0 0 138 3,-0.3 3,-2.0 -2,-0.1 7,-0.2 -0.827 37.8-112.6 -95.7 123.7 -34.3 75.0 29.3 17 19 A P T 3 S+ 0 0 92 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.249 100.5 13.9 -55.0 137.2 -31.3 74.2 27.1 18 20 A G T 3 S+ 0 0 49 85,-3.4 86,-0.2 1,-0.1 3,-0.1 0.569 99.0 112.7 74.1 7.9 -28.3 76.3 28.0 19 21 A D <> - 0 0 49 -3,-2.0 4,-1.9 84,-0.3 3,-0.5 -0.827 44.5-173.9-116.0 92.4 -29.9 77.5 31.2 20 22 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.849 85.2 57.2 -51.3 -37.4 -27.9 76.0 34.2 21 23 A Q H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 106.2 45.8 -62.9 -46.5 -30.5 77.4 36.6 22 24 A S H > S+ 0 0 20 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.859 111.0 55.7 -66.4 -33.8 -33.4 75.6 35.0 23 25 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 -7,-0.2 -2,-0.2 0.947 108.0 47.1 -62.0 -48.7 -31.4 72.4 34.9 24 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.929 114.0 47.5 -58.5 -47.7 -30.7 72.6 38.7 25 27 A E H X S+ 0 0 108 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.868 108.9 54.5 -63.8 -37.7 -34.4 73.3 39.4 26 28 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.946 111.6 44.9 -61.1 -46.8 -35.5 70.4 37.2 27 29 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.921 113.0 48.7 -63.6 -46.9 -33.2 68.0 39.1 28 30 A D H X S+ 0 0 18 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.886 112.1 50.6 -62.1 -37.9 -34.2 69.2 42.5 29 31 A T H X S+ 0 0 52 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.952 111.1 47.5 -63.9 -50.4 -37.9 69.0 41.6 30 32 A Y H X>S+ 0 0 18 -4,-2.4 4,-2.9 1,-0.2 5,-1.1 0.919 115.6 44.5 -56.8 -47.7 -37.6 65.4 40.3 31 33 A C H <5S+ 0 0 5 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.731 113.6 51.3 -71.3 -23.1 -35.7 64.3 43.3 32 34 A T H <5S+ 0 0 95 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.833 124.9 24.6 -82.3 -33.4 -38.0 66.0 45.7 33 35 A Q H <5S+ 0 0 144 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.656 134.2 19.8-107.3 -18.2 -41.2 64.5 44.1 34 36 A K T <5S+ 0 0 134 -4,-2.9 2,-0.4 -5,-0.3 -3,-0.2 0.768 119.6 1.2-116.4 -66.8 -40.2 61.3 42.5 35 37 A E < - 0 0 45 -5,-1.1 -1,-0.3 -32,-0.1 -2,-0.1 -0.994 63.1-123.3-135.7 133.3 -36.9 59.6 43.6 36 38 A W - 0 0 111 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.1 -0.428 34.9-178.0 -67.7 142.5 -34.3 60.6 46.2 37 39 A A - 0 0 0 2,-0.1 2,-1.4 -2,-0.1 -6,-0.0 -0.987 37.8-109.8-143.5 150.6 -30.8 61.0 44.7 38 40 A M + 0 0 37 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.125 65.3 136.8 -77.6 43.4 -27.5 61.8 46.3 39 41 A N - 0 0 0 -2,-1.4 158,-0.1 1,-0.1 -2,-0.1 -0.595 68.8-113.9 -82.2 151.0 -27.1 65.3 44.7 40 42 A V > - 0 0 1 175,-1.6 4,-0.5 -2,-0.2 5,-0.2 0.830 56.8-148.6 -56.8 -29.8 -25.8 67.9 47.2 41 43 A G H > - 0 0 1 3,-0.2 4,-1.0 1,-0.1 -1,-0.1 -0.116 21.8 -72.2 88.8 173.4 -29.2 69.6 46.9 42 44 A D H > S+ 0 0 67 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.848 121.7 55.6 -79.2 -36.5 -30.4 73.2 47.1 43 45 A A H > S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.987 120.9 30.0 -60.4 -58.7 -30.1 73.8 50.8 44 46 A K H X S+ 0 0 0 -4,-0.5 4,-2.1 151,-0.4 3,-0.3 0.823 115.4 65.4 -70.0 -27.9 -26.4 72.9 50.9 45 47 A G H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.872 96.7 53.9 -60.9 -38.6 -26.1 74.1 47.3 46 48 A Q H X S+ 0 0 112 -4,-2.2 4,-1.7 -3,-0.4 -1,-0.2 0.821 107.6 50.6 -65.8 -32.4 -26.9 77.7 48.4 47 49 A I H X S+ 0 0 34 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.911 109.4 51.2 -71.1 -41.2 -24.1 77.6 50.9 48 50 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.932 107.2 53.7 -58.7 -47.4 -21.8 76.3 48.2 49 51 A D H X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.915 108.9 49.0 -52.9 -47.8 -22.8 79.2 45.9 50 52 A A H X S+ 0 0 59 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.860 112.0 47.8 -62.5 -39.2 -21.9 81.7 48.6 51 53 A V H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.907 111.3 50.5 -69.6 -41.8 -18.5 80.2 49.3 52 54 A I H X S+ 0 0 2 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.939 109.6 51.6 -60.6 -46.5 -17.7 80.1 45.6 53 55 A R H < S+ 0 0 169 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.892 110.1 49.1 -58.4 -41.8 -18.7 83.7 45.2 54 56 A E H < S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.949 122.3 30.8 -64.2 -49.8 -16.4 84.7 48.1 55 57 A Y H < S- 0 0 78 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.729 83.2-158.3 -83.6 -24.4 -13.3 82.9 46.9 56 58 A S < - 0 0 62 -4,-3.3 -3,-0.1 -5,-0.3 -4,-0.1 0.932 21.7-153.6 44.3 61.2 -13.9 83.1 43.1 57 59 A P - 0 0 6 0, 0.0 22,-0.4 0, 0.0 3,-0.2 -0.293 22.1-160.8 -67.4 149.2 -11.6 80.1 42.4 58 60 A S S S+ 0 0 79 1,-0.3 25,-3.1 24,-0.1 2,-0.4 0.713 84.2 33.8 -97.9 -29.4 -9.9 79.7 39.0 59 61 A L E S+a 83 0A 20 23,-0.2 75,-2.0 25,-0.0 76,-1.6 -0.946 71.4 179.4-133.5 112.7 -9.2 76.0 39.3 60 62 A V E -ab 84 135A 0 23,-2.7 25,-2.8 -2,-0.4 2,-0.5 -0.913 12.0-159.4-115.5 139.0 -11.6 73.7 41.1 61 63 A L E -ab 85 136A 0 74,-2.5 76,-3.1 -2,-0.4 2,-0.4 -0.974 7.4-166.2-118.1 126.8 -11.4 70.0 41.7 62 64 A E E -ab 86 137A 0 23,-3.0 25,-2.6 -2,-0.5 2,-0.7 -0.934 8.2-155.1-112.3 134.2 -14.5 68.0 42.4 63 65 A L E S+ab 87 138A 0 74,-2.9 76,-1.6 -2,-0.4 25,-0.1 -0.918 75.6 21.6-110.2 106.4 -14.4 64.4 43.7 64 66 A G + 0 0 1 23,-2.5 -1,-0.2 -2,-0.7 24,-0.2 0.736 56.3 180.0 103.0 92.0 -17.6 62.6 42.8 65 67 A A > + 0 0 0 22,-0.6 3,-2.2 1,-0.2 2,-0.6 0.875 12.1 167.9 -87.1 -42.6 -19.7 63.9 40.0 66 68 A Y T 3 S- 0 0 2 1,-0.3 31,-0.5 149,-0.2 -1,-0.2 -0.502 80.5 -11.0 63.1-106.6 -22.6 61.4 39.9 67 69 A C T 3 S- 0 0 0 -2,-0.6 -1,-0.3 29,-0.1 33,-0.1 0.424 101.3-102.5-102.7 -0.8 -25.1 63.1 37.6 68 70 A G S <> S+ 0 0 0 -3,-2.2 4,-2.2 32,-0.1 5,-0.2 0.568 78.1 132.6 93.8 10.7 -23.4 66.5 37.4 69 71 A Y H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 5,-0.1 0.967 79.1 36.4 -59.0 -57.8 -25.6 68.4 39.8 70 72 A S H > S+ 0 0 0 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.808 114.5 58.0 -67.4 -28.6 -22.9 70.1 41.8 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.902 110.6 42.5 -67.1 -41.0 -20.7 70.5 38.7 72 74 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.902 113.6 54.4 -69.5 -39.8 -23.4 72.5 37.0 73 75 A R H < S+ 0 0 6 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.929 117.0 34.6 -58.9 -48.5 -24.0 74.3 40.3 74 76 A M H >< S+ 0 0 1 -4,-2.8 3,-1.3 1,-0.2 4,-0.4 0.912 115.3 54.0 -75.4 -44.5 -20.3 75.4 40.7 75 77 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.829 98.2 63.4 -61.0 -35.0 -19.4 75.9 37.0 76 78 A R T 3< S+ 0 0 52 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.737 107.7 45.3 -63.1 -20.4 -22.3 78.3 36.4 77 79 A L T < S+ 0 0 30 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.450 87.5 114.6-101.3 -3.5 -20.6 80.6 38.9 78 80 A L < - 0 0 10 -3,-1.3 3,-0.1 -4,-0.4 -20,-0.1 -0.452 67.5-118.8 -73.5 141.6 -17.1 80.3 37.6 79 81 A Q > - 0 0 116 -22,-0.4 3,-2.3 1,-0.2 -1,-0.1 -0.352 47.1 -77.1 -73.1 155.0 -15.4 83.4 36.1 80 82 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.267 122.1 24.6 -54.9 136.6 -14.3 83.3 32.4 81 83 A G T 3 S+ 0 0 83 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.278 93.4 125.9 91.3 -12.9 -11.1 81.3 32.1 82 84 A A < - 0 0 6 -3,-2.3 2,-0.4 -7,-0.1 -1,-0.3 -0.451 47.1-148.2 -77.4 154.2 -11.7 79.3 35.2 83 85 A R E -a 59 0A 79 -25,-3.1 -23,-2.7 -2,-0.1 2,-0.5 -0.967 11.5-161.0-128.9 144.8 -11.7 75.5 35.1 84 86 A L E -ac 60 110A 0 25,-2.5 27,-2.4 -2,-0.4 2,-0.5 -0.988 7.2-169.5-124.6 122.3 -13.6 72.7 36.9 85 87 A L E -ac 61 111A 0 -25,-2.8 -23,-3.0 -2,-0.5 2,-0.4 -0.947 8.2-170.7-109.8 129.4 -12.2 69.2 36.9 86 88 A T E -ac 62 112A 0 25,-2.3 27,-3.3 -2,-0.5 2,-0.4 -0.985 11.0-147.9-127.7 131.7 -14.5 66.5 38.2 87 89 A M E +ac 63 113A 4 -25,-2.6 -23,-2.5 -2,-0.4 -22,-0.6 -0.826 20.3 169.3 -99.7 131.7 -13.6 62.9 39.0 88 90 A E E - c 0 114A 0 25,-2.3 27,-1.0 -2,-0.4 28,-0.1 -0.950 17.5-169.1-142.8 117.3 -16.1 60.1 38.6 89 91 A M + 0 0 81 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.766 69.6 83.0 -79.5 -26.0 -15.2 56.4 38.7 90 92 A N > - 0 0 44 1,-0.2 4,-2.3 25,-0.1 3,-0.3 -0.702 67.2-156.5 -82.1 111.4 -18.5 55.0 37.5 91 93 A P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.823 91.9 56.6 -57.2 -32.1 -18.5 55.2 33.7 92 94 A D H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.917 110.0 43.6 -66.3 -42.5 -22.3 55.2 33.5 93 95 A Y H > S+ 0 0 47 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.869 109.6 56.9 -69.7 -37.0 -22.5 58.3 35.8 94 96 A A H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.863 106.1 51.4 -62.3 -35.1 -19.7 60.0 33.9 95 97 A A H X S+ 0 0 55 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.916 110.8 47.2 -67.5 -43.8 -21.7 59.7 30.7 96 98 A I H X S+ 0 0 18 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.909 110.7 52.6 -63.1 -44.4 -24.8 61.2 32.3 97 99 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 -31,-0.5 -1,-0.2 0.898 107.8 51.2 -58.8 -43.4 -22.7 64.0 33.8 98 100 A Q H X S+ 0 0 66 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.929 112.4 46.0 -61.2 -45.3 -21.2 64.8 30.3 99 101 A Q H X S+ 0 0 89 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.890 111.5 52.7 -63.9 -38.7 -24.8 65.0 28.9 100 102 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.925 111.0 46.2 -63.4 -44.6 -25.9 67.1 31.8 101 103 A L H X>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.9 0.892 111.6 52.1 -64.9 -41.0 -23.1 69.6 31.2 102 104 A N H ><5S+ 0 0 62 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.942 110.4 47.3 -60.6 -48.4 -23.8 69.7 27.5 103 105 A F H 3<5S+ 0 0 39 -4,-2.5 -85,-3.4 1,-0.3 -84,-0.3 0.873 112.7 49.7 -61.3 -38.2 -27.5 70.4 28.0 104 106 A A H 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.641 111.3-125.7 -75.6 -14.5 -26.6 73.1 30.5 105 107 A G T <<5S+ 0 0 41 -4,-0.9 -3,-0.2 -3,-0.8 3,-0.2 0.791 80.7 112.9 74.9 28.5 -24.1 74.6 28.0 106 108 A L >>< + 0 0 14 -5,-2.5 3,-1.1 -6,-0.1 4,-1.1 0.191 31.8 113.8-114.7 13.8 -21.2 74.4 30.5 107 109 A Q T 34 S+ 0 0 70 -6,-0.6 -1,-0.1 1,-0.2 -5,-0.1 0.751 70.6 60.7 -59.5 -25.1 -19.2 71.8 28.7 108 110 A D T 34 S+ 0 0 149 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.806 106.2 44.8 -74.2 -27.7 -16.4 74.2 27.9 109 111 A K T <4 S+ 0 0 60 -3,-1.1 -25,-2.5 -26,-0.1 2,-0.4 0.705 107.2 67.1 -87.2 -22.3 -15.6 75.0 31.6 110 112 A V E < -c 84 0A 7 -4,-1.1 2,-0.5 -27,-0.2 -25,-0.2 -0.837 54.7-169.0-111.1 140.6 -15.7 71.4 32.9 111 113 A T E -c 85 0A 54 -27,-2.4 -25,-2.3 -2,-0.4 2,-0.5 -0.989 16.6-146.1-124.4 121.5 -13.5 68.4 32.2 112 114 A I E -c 86 0A 31 -2,-0.5 2,-0.7 -27,-0.2 -25,-0.2 -0.769 6.1-158.0 -91.1 126.1 -14.6 65.0 33.4 113 115 A L E -c 87 0A 2 -27,-3.3 -25,-2.3 -2,-0.5 2,-0.9 -0.918 9.3-151.5-104.6 113.4 -11.9 62.6 34.6 114 116 A N E +c 88 0A 95 -2,-0.7 2,-0.3 -27,-0.2 -25,-0.2 -0.763 56.4 61.1 -90.4 109.0 -13.2 59.0 34.4 115 117 A G S S- 0 0 19 -27,-1.0 2,-0.3 -2,-0.9 -25,-0.1 -0.923 90.0 -54.3 161.3 177.4 -11.4 56.9 37.0 116 118 A A >> - 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