==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-MAR-11 3R6T . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.EHLER,D.SCHLATTER,M.STIHLE,J.BENZ,M.G.RUDOLPH . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.3 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 1 3 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 46 A D 0 0 131 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 172.7 -3.1 3.6 6.9 2 47 A T > - 0 0 71 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.675 360.0-108.6-109.3 165.6 -2.5 5.7 10.1 3 48 A K H > S+ 0 0 58 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.885 119.9 55.5 -58.1 -39.6 0.4 7.5 11.5 4 49 A E H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 108.8 46.5 -62.3 -45.6 0.7 4.8 14.2 5 50 A Q H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 109.4 55.2 -62.0 -39.7 0.9 2.0 11.6 6 51 A R H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.878 106.7 50.7 -61.7 -38.9 3.5 4.1 9.6 7 52 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.942 111.2 48.0 -63.4 -49.2 5.7 4.3 12.8 8 53 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.920 111.4 50.5 -57.0 -43.6 5.5 0.5 13.3 9 54 A R H X S+ 0 0 80 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.907 107.7 52.9 -63.6 -41.8 6.3 -0.1 9.6 10 55 A Y H X S+ 0 0 42 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.917 109.8 48.9 -60.5 -42.0 9.3 2.2 9.8 11 56 A V H >X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-1.2 0.943 110.7 49.8 -58.8 -48.6 10.6 0.2 12.8 12 57 A Q H 3< S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.839 116.6 42.9 -61.6 -31.7 10.1 -3.0 10.9 13 58 A Q H 3< S+ 0 0 127 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.453 129.1 24.2 -88.2 -1.7 12.0 -1.6 7.9 14 59 A N H << S+ 0 0 91 -3,-1.2 2,-0.2 -4,-0.6 -2,-0.2 0.622 103.3 73.2-143.5 -18.8 14.8 0.1 9.9 15 60 A A S < S- 0 0 20 -4,-3.0 8,-0.1 -5,-0.2 6,-0.0 -0.558 74.1-109.8-103.7 171.3 15.4 -1.5 13.4 16 61 A K > - 0 0 132 3,-0.3 3,-1.9 -2,-0.2 7,-0.2 -0.861 34.6-116.3-100.4 121.5 17.0 -4.8 14.5 17 62 A P T 3 S+ 0 0 89 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.302 101.4 20.8 -55.5 137.5 14.7 -7.4 16.0 18 63 A G T 3 S+ 0 0 50 85,-2.9 86,-0.2 84,-0.2 85,-0.1 0.494 98.8 107.1 82.9 4.3 15.5 -8.1 19.7 19 64 A D <> - 0 0 56 -3,-1.9 4,-1.7 84,-0.3 3,-0.4 -0.846 45.8-175.0-118.6 91.3 17.3 -4.8 20.1 20 65 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 83.0 55.1 -57.6 -41.2 15.2 -2.4 22.1 21 66 A Q H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 105.8 51.5 -60.9 -37.9 17.5 0.6 21.7 22 67 A S H > S+ 0 0 19 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.877 108.8 51.9 -68.9 -30.9 17.4 0.3 17.9 23 68 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 -7,-0.2 -2,-0.2 0.937 111.1 47.1 -64.4 -48.5 13.6 0.3 18.1 24 69 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.931 112.8 49.4 -59.4 -44.4 13.6 3.5 20.3 25 70 A E H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 109.8 50.9 -64.7 -39.2 16.0 5.2 17.9 26 71 A A H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.907 110.9 48.4 -64.1 -43.2 14.0 4.3 14.9 27 72 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.936 112.9 48.2 -60.8 -47.9 10.8 5.7 16.4 28 73 A D H X S+ 0 0 21 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.917 111.8 49.5 -62.0 -39.0 12.6 8.9 17.4 29 74 A T H X S+ 0 0 50 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.947 112.0 47.9 -64.7 -48.0 14.1 9.3 14.0 30 75 A Y H X>S+ 0 0 23 -4,-2.6 4,-2.7 1,-0.2 5,-1.7 0.927 113.6 47.1 -57.2 -42.1 10.8 8.8 12.3 31 76 A C H <5S+ 0 0 4 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.742 116.8 44.1 -78.5 -18.7 9.0 11.3 14.6 32 77 A T H <5S+ 0 0 96 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.870 126.2 28.4 -84.8 -40.8 11.7 13.9 14.2 33 78 A Q H <5S+ 0 0 135 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.721 133.9 17.4 -94.7 -28.2 12.2 13.6 10.4 34 79 A K T <5S- 0 0 139 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.798 122.9 -5.4-116.7 -63.6 8.8 12.5 9.1 35 80 A E < - 0 0 52 -5,-1.7 -1,-0.2 -32,-0.1 -2,-0.1 -0.938 62.5-124.0-148.6 121.7 5.8 12.9 11.4 36 81 A W + 0 0 107 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 -0.310 33.1 179.4 -57.0 145.3 5.5 14.1 15.0 37 82 A A - 0 0 0 2,-0.1 2,-1.4 -6,-0.1 -6,-0.0 -0.989 39.5-105.8-148.5 158.2 3.8 11.7 17.4 38 83 A M + 0 0 100 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.114 64.0 139.7 -82.2 42.5 3.0 11.8 21.1 39 84 A N - 0 0 4 -2,-1.4 158,-0.2 1,-0.1 -2,-0.1 -0.537 69.2-110.8 -73.4 157.0 5.6 9.3 22.2 40 85 A V > - 0 0 0 -2,-0.2 4,-0.5 1,-0.1 5,-0.2 0.820 58.3-151.0 -65.0 -28.2 7.3 10.4 25.5 41 86 A G H > - 0 0 0 3,-0.2 4,-1.3 1,-0.2 -1,-0.1 -0.013 24.4 -70.3 88.0 173.1 10.5 11.0 23.5 42 87 A D H > S+ 0 0 66 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.838 122.7 55.9 -76.0 -34.8 14.2 10.8 24.2 43 88 A A H > S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.986 120.2 29.3 -65.6 -57.8 14.4 13.9 26.5 44 89 A K H X S+ 0 0 0 -4,-0.5 4,-2.6 151,-0.5 3,-0.3 0.836 115.7 65.6 -69.0 -32.0 11.8 12.8 29.0 45 90 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.898 96.3 54.4 -59.2 -37.7 12.7 9.2 28.2 46 91 A Q H X S+ 0 0 114 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.851 109.1 48.9 -64.7 -34.2 16.1 9.7 29.7 47 92 A I H X S+ 0 0 35 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.940 109.9 51.1 -67.8 -45.8 14.5 10.9 32.9 48 93 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.912 108.8 52.4 -53.5 -47.4 12.2 8.0 33.0 49 94 A D H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 109.3 48.7 -58.6 -44.0 15.2 5.6 32.5 50 95 A A H X S+ 0 0 59 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.896 113.0 47.8 -66.2 -37.2 17.0 7.2 35.5 51 96 A V H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.933 111.7 49.1 -68.8 -44.5 13.8 6.9 37.7 52 97 A I H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.920 112.9 48.2 -63.6 -41.2 13.2 3.3 36.8 53 98 A R H < S+ 0 0 157 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.896 110.2 52.6 -66.1 -36.8 16.9 2.4 37.5 54 99 A E H < S+ 0 0 130 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.898 120.0 31.3 -64.1 -42.0 16.7 4.2 40.8 55 100 A Y H < S- 0 0 80 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.699 83.2-154.3 -95.2 -21.7 13.6 2.4 42.1 56 101 A S < - 0 0 64 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.923 22.1-156.9 44.6 59.5 14.0 -1.0 40.4 57 102 A P - 0 0 8 0, 0.0 22,-0.4 0, 0.0 3,-0.2 -0.341 20.1-157.7 -68.7 141.7 10.3 -1.7 40.5 58 103 A S S S+ 0 0 80 1,-0.3 25,-2.6 24,-0.1 2,-0.4 0.791 84.9 28.4 -84.3 -29.7 9.1 -5.4 40.3 59 104 A L E S-a 83 0A 32 23,-0.2 75,-2.1 2,-0.0 76,-1.4 -0.961 70.5-178.4-138.8 118.2 5.6 -4.5 39.0 60 105 A V E -ab 84 135A 0 23,-2.3 25,-2.7 -2,-0.4 2,-0.4 -0.924 11.5-156.4-115.4 139.2 4.9 -1.4 36.9 61 106 A L E -ab 85 136A 0 74,-2.3 76,-2.6 -2,-0.4 2,-0.5 -0.979 7.6-163.4-110.9 128.4 1.5 -0.3 35.5 62 107 A E E -ab 86 137A 0 23,-2.8 25,-2.6 -2,-0.4 2,-0.7 -0.937 6.1-154.9-108.9 131.5 1.4 2.0 32.5 63 108 A L E S+ab 87 138A 0 74,-2.8 76,-2.0 -2,-0.5 25,-0.1 -0.918 76.4 16.3-105.5 110.8 -1.8 3.9 31.6 64 109 A G - 0 0 10 23,-2.5 24,-0.2 -2,-0.7 -1,-0.2 0.911 59.7-172.6 94.8 81.0 -1.9 4.7 27.9 65 110 A A > + 0 0 4 22,-1.1 3,-2.2 1,-0.2 2,-0.5 0.823 13.4 174.0 -70.4 -42.1 0.5 2.6 25.7 66 111 A Y T 3 S- 0 0 23 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 -0.474 77.6 -14.5 65.7-112.8 -0.1 4.4 22.4 67 112 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.404 99.2-103.7-100.8 1.9 2.5 2.8 20.1 68 113 A G S <> S+ 0 0 0 -3,-2.2 4,-2.6 -4,-0.1 5,-0.2 0.530 80.3 130.1 93.1 8.4 4.6 1.1 22.8 69 114 A Y H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 5,-0.1 0.952 79.9 40.1 -60.8 -51.9 7.5 3.5 22.9 70 115 A S H > S+ 0 0 4 -5,-0.4 4,-2.8 2,-0.2 5,-0.3 0.862 112.9 56.3 -65.9 -33.9 7.4 4.0 26.7 71 116 A A H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.922 110.0 44.9 -65.1 -40.2 6.6 0.3 27.2 72 117 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.937 112.9 52.8 -63.7 -44.8 9.8 -0.5 25.3 73 118 A R H < S+ 0 0 7 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.916 117.8 35.1 -54.9 -51.8 11.7 2.1 27.3 74 119 A M H >X S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.2 4,-0.5 0.930 114.8 53.9 -72.4 -46.5 10.6 0.8 30.7 75 120 A A H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.3 -2,-0.2 0.857 101.6 59.6 -62.7 -34.0 10.6 -2.9 29.9 76 121 A R T 3< S+ 0 0 55 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.693 108.9 45.4 -68.3 -15.9 14.2 -2.9 28.6 77 122 A L T <4 S+ 0 0 29 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.408 85.3 114.9-105.5 -2.1 15.3 -1.6 32.1 78 123 A L S << S- 0 0 14 -3,-1.1 3,-0.1 -4,-0.5 -20,-0.1 -0.445 70.8-114.4 -68.7 144.2 13.3 -4.0 34.3 79 124 A Q > - 0 0 111 -22,-0.4 3,-2.3 1,-0.2 -1,-0.1 -0.344 51.6 -73.7 -70.2 157.7 15.3 -6.4 36.4 80 125 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.242 123.4 19.2 -55.4 139.6 14.9 -10.1 35.5 81 126 A G T 3 S+ 0 0 56 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.152 96.2 121.7 85.3 -20.3 11.5 -11.4 36.7 82 127 A A < - 0 0 4 -3,-2.3 2,-0.3 -7,-0.1 -1,-0.3 -0.419 47.5-153.1 -75.0 159.5 10.0 -7.9 36.9 83 128 A R E -a 59 0A 103 -25,-2.6 -23,-2.3 -3,-0.1 2,-0.4 -0.944 15.8-148.4-141.0 151.1 7.0 -7.1 34.9 84 129 A L E -ac 60 110A 0 25,-2.6 27,-2.1 -2,-0.3 2,-0.4 -0.969 5.8-165.1-118.6 134.5 5.0 -4.3 33.2 85 130 A L E -ac 61 111A 14 -25,-2.7 -23,-2.8 -2,-0.4 2,-0.4 -0.981 13.5-170.8-109.0 130.6 1.2 -4.2 32.7 86 131 A T E -ac 62 112A 0 25,-2.6 27,-3.2 -2,-0.4 2,-0.4 -0.988 9.3-152.3-129.3 133.7 0.1 -1.6 30.1 87 132 A M E +ac 63 113A 2 -25,-2.6 -23,-2.5 -2,-0.4 -22,-1.1 -0.863 16.7 173.2-108.5 130.7 -3.5 -0.5 29.4 88 133 A E E - c 0 114A 18 25,-2.6 27,-1.1 -2,-0.4 6,-0.1 -0.941 18.5-165.8-144.3 119.1 -4.6 0.8 26.1 89 134 A I S S+ 0 0 72 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.748 71.6 79.8 -75.4 -31.0 -8.2 1.5 25.1 90 135 A N > - 0 0 65 1,-0.2 4,-2.4 25,-0.1 5,-0.2 -0.742 69.4-152.3 -87.9 117.9 -7.7 1.8 21.4 91 136 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.874 95.0 53.3 -60.8 -37.6 -7.6 -1.7 19.9 92 137 A D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.917 112.1 44.8 -60.5 -44.9 -5.4 -0.6 16.9 93 138 A C H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.858 109.4 56.4 -67.3 -35.9 -2.8 0.9 19.3 94 139 A A H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 110.6 44.6 -62.4 -44.5 -3.0 -2.1 21.6 95 140 A A H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.878 112.8 50.6 -66.0 -41.1 -2.0 -4.3 18.6 96 141 A I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.941 111.0 49.8 -61.0 -44.8 0.7 -1.9 17.5 97 142 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 -31,-0.4 5,-0.2 0.925 110.1 50.0 -60.4 -43.9 2.1 -1.9 21.0 98 143 A Q H X S+ 0 0 66 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.934 112.9 46.9 -59.8 -46.1 2.1 -5.7 21.2 99 144 A Q H X S+ 0 0 76 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.845 109.9 53.2 -64.0 -35.1 3.9 -5.9 17.8 100 145 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 112.0 45.1 -65.0 -46.6 6.4 -3.2 18.9 101 146 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.8 0.890 111.8 52.0 -64.5 -41.7 7.3 -5.2 22.0 102 147 A N H ><5S+ 0 0 75 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.942 109.8 49.6 -57.9 -47.6 7.4 -8.4 20.0 103 148 A F H 3<5S+ 0 0 38 -4,-2.6 -85,-2.9 1,-0.3 -84,-0.3 0.918 110.9 49.8 -58.6 -44.1 9.8 -6.8 17.6 104 149 A A H 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -87,-0.2 -2,-0.2 0.594 112.2-121.0 -70.5 -10.4 12.0 -5.6 20.5 105 150 A G T <<5S+ 0 0 41 -3,-1.1 3,-0.3 -4,-0.8 -3,-0.2 0.660 83.1 113.7 78.4 19.9 12.0 -9.0 22.1 106 151 A L > < + 0 0 13 -5,-2.3 3,-2.0 1,-0.2 4,-0.5 0.254 32.5 110.9-104.8 5.4 10.4 -7.7 25.3 107 152 A Q G > S+ 0 0 73 -6,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.771 70.5 60.7 -60.1 -27.4 7.1 -9.6 25.1 108 153 A D G 3 S+ 0 0 126 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.647 105.7 49.6 -75.3 -10.0 7.8 -11.9 28.0 109 154 A K G < S+ 0 0 55 -3,-2.0 -25,-2.6 -26,-0.1 2,-0.4 0.523 107.2 60.0 -99.0 -10.4 8.1 -8.9 30.3 110 155 A V E < -c 84 0A 9 -3,-0.8 2,-0.5 -4,-0.5 -25,-0.2 -0.941 54.6-160.8-130.3 144.4 4.9 -7.1 29.3 111 156 A T E -c 85 0A 63 -27,-2.1 -25,-2.6 -2,-0.4 2,-0.6 -0.994 15.8-154.3-118.8 122.2 1.2 -7.7 29.3 112 157 A I E -c 86 0A 23 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.893 9.0-161.9 -99.1 113.0 -0.8 -5.4 27.0 113 158 A L E -c 87 0A 9 -27,-3.2 -25,-2.6 -2,-0.6 2,-0.9 -0.890 6.9-149.8-101.9 119.7 -4.4 -5.1 28.2 114 159 A N E +c 88 0A 88 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.727 57.8 72.5 -89.8 107.2 -6.8 -3.8 25.6 115 160 A G S S- 0 0 20 -27,-1.1 2,-0.3 -2,-0.9 -25,-0.1 -0.947 88.4 -59.8 169.4 174.1 -9.6 -1.8 27.4 116 161 A A >> - 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