==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-APR-06 2CL5 . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR P.N.PALMA,M.L.RODRIGUES,M.ARCHER,M.J.BONIFACIO,A.I.LOUREIRO, . 430 4 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) . 314 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 0 0 2 0 2 2 0 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 6 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 2 0 0 0 0 2 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 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 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 2 A G 0 0 93 0, 0.0 2,-0.1 0, 0.0 359,-0.1 0.000 360.0 360.0 360.0 151.4 14.5 18.7 46.0 2 3 A D - 0 0 56 358,-0.1 2,-0.3 4,-0.1 3,-0.0 -0.345 360.0-173.8 -76.5 147.1 13.1 18.8 49.5 3 4 A T > - 0 0 21 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.916 39.7-104.6-135.1 165.3 12.0 15.6 51.3 4 5 A K H > S+ 0 0 18 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.885 119.9 53.1 -54.7 -42.7 10.3 14.5 54.5 5 6 A E H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 108.1 49.1 -70.3 -36.3 13.7 13.4 56.0 6 7 A Q H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 109.7 53.2 -64.6 -40.9 15.3 16.8 55.3 7 8 A R H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 109.2 48.7 -62.5 -39.9 12.3 18.5 56.9 8 9 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.951 113.1 46.7 -63.9 -49.8 12.7 16.4 60.0 9 10 A L H X S+ 0 0 7 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.920 112.1 49.8 -59.8 -45.9 16.4 17.1 60.3 10 11 A R H X S+ 0 0 115 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.895 109.3 53.0 -61.3 -38.7 15.9 20.8 59.7 11 12 A Y H X S+ 0 0 49 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.918 110.7 46.7 -62.0 -43.9 13.2 20.9 62.4 12 13 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.958 112.4 49.5 -61.7 -49.9 15.6 19.2 64.8 13 14 A Q H < S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.818 115.7 45.3 -60.8 -28.1 18.5 21.6 63.9 14 15 A Q H < S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 129.3 17.9 -80.3 -37.4 16.1 24.5 64.4 15 16 A N H < S+ 0 0 82 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.707 101.1 82.5-116.0 -28.2 14.5 23.5 67.7 16 17 A A S < S- 0 0 9 -4,-2.6 8,-0.1 -5,-0.3 6,-0.0 -0.387 79.4-106.8 -84.2 163.4 16.4 20.9 69.6 17 18 A K > - 0 0 136 3,-0.3 3,-1.8 -2,-0.1 7,-0.2 -0.769 38.3-112.2 -90.7 122.1 19.4 21.6 71.9 18 19 A P T 3 S+ 0 0 105 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.263 100.4 14.8 -53.5 136.4 22.8 20.5 70.4 19 20 A G T 3 S+ 0 0 50 85,-3.1 86,-0.2 84,-0.2 85,-0.1 0.546 98.3 110.6 75.9 9.4 24.3 17.6 72.3 20 21 A D <> - 0 0 58 -3,-1.8 4,-1.7 84,-0.3 3,-0.3 -0.884 46.2-171.4-119.4 94.0 21.1 16.7 74.1 21 22 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.860 85.3 54.1 -54.0 -41.4 19.7 13.4 72.8 22 23 A Q H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 107.6 50.6 -64.0 -38.4 16.4 13.7 74.7 23 24 A S H > S+ 0 0 20 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.872 108.6 52.9 -65.1 -36.1 15.8 17.1 73.2 24 25 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.948 110.7 46.6 -63.0 -49.3 16.4 15.6 69.7 25 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.895 112.3 49.8 -55.9 -46.1 13.9 12.8 70.3 26 27 A E H X S+ 0 0 110 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.869 110.4 51.0 -65.7 -37.2 11.3 15.2 71.7 27 28 A A H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.928 111.3 46.8 -64.6 -49.1 11.8 17.5 68.6 28 29 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.942 114.7 47.3 -56.2 -49.4 11.3 14.6 66.2 29 30 A D H X S+ 0 0 18 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.873 112.2 49.3 -65.7 -36.9 8.2 13.4 68.0 30 31 A T H X S+ 0 0 54 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.953 113.6 45.9 -64.7 -50.0 6.7 16.9 68.2 31 32 A Y H X>S+ 0 0 25 -4,-2.7 4,-2.7 1,-0.2 5,-1.6 0.918 115.6 46.2 -58.1 -43.9 7.3 17.5 64.5 32 33 A C H <5S+ 0 0 5 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.797 115.7 45.8 -77.5 -24.9 5.9 14.1 63.5 33 34 A T H <5S+ 0 0 94 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.875 124.9 30.3 -78.6 -41.0 2.9 14.4 65.8 34 35 A Q H <5S+ 0 0 129 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.779 134.6 13.0 -92.7 -31.9 2.0 18.0 64.8 35 36 A K T <5S+ 0 0 134 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.796 120.7 5.3-116.8 -45.4 3.1 18.4 61.2 36 37 A E < - 0 0 7 -5,-1.6 -1,-0.3 355,-0.1 -2,-0.1 -0.917 61.8-124.3-157.7 120.7 4.0 15.2 59.3 37 38 A W + 0 0 42 350,-0.5 2,-0.3 -2,-0.3 -4,-0.1 -0.227 32.0 179.1 -60.4 150.3 3.9 11.4 60.1 38 39 A A - 0 0 1 2,-0.1 2,-1.0 160,-0.1 352,-0.0 -0.973 39.7-109.3-150.6 158.5 7.1 9.4 59.8 39 40 A M + 0 0 37 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.011 65.9 135.1 -80.5 34.8 8.1 5.8 60.2 40 41 A N S S- 0 0 0 -2,-1.0 158,-0.2 1,-0.1 -2,-0.1 -0.513 70.1-114.1 -71.9 151.9 10.2 6.4 63.4 41 42 A V > - 0 0 0 390,-2.1 4,-0.6 -2,-0.2 5,-0.2 0.837 57.5-151.7 -58.8 -30.5 9.5 3.8 66.2 42 43 A G H > - 0 0 0 3,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.007 23.8 -67.3 83.4 171.2 8.1 6.7 68.2 43 44 A D H > S+ 0 0 58 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.868 123.5 52.7 -70.4 -36.3 7.8 7.4 71.9 44 45 A A H > S+ 0 0 46 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.981 121.5 31.6 -68.7 -51.4 5.3 4.7 73.0 45 46 A K H X S+ 0 0 1 -4,-0.6 4,-2.4 151,-0.4 3,-0.5 0.861 114.5 64.8 -70.1 -31.5 7.3 1.8 71.5 46 47 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.851 96.3 55.4 -59.2 -36.1 10.5 3.8 72.2 47 48 A Q H X S+ 0 0 118 -4,-2.0 4,-1.7 -3,-0.3 -1,-0.2 0.841 107.9 49.1 -68.0 -31.9 9.9 3.5 75.9 48 49 A I H X S+ 0 0 33 -4,-0.8 4,-2.0 -3,-0.5 -2,-0.2 0.930 110.3 50.8 -71.2 -43.2 9.7 -0.2 75.6 49 50 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 108.8 52.3 -55.2 -44.7 12.9 -0.2 73.6 50 51 A D H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.896 107.5 51.8 -57.7 -45.6 14.5 1.9 76.4 51 52 A A H X S+ 0 0 49 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.869 109.6 50.1 -62.9 -37.4 13.5 -0.7 79.0 52 53 A V H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.930 110.4 49.1 -67.3 -43.2 15.0 -3.4 76.9 53 54 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.931 113.4 46.8 -61.4 -44.7 18.3 -1.6 76.6 54 55 A R H < S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.8 49.6 -65.5 -37.0 18.4 -0.9 80.3 55 56 A E H < S+ 0 0 125 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.919 122.5 29.2 -68.6 -44.5 17.6 -4.4 81.3 56 57 A Y H < S- 0 0 71 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.578 83.4-153.4 -98.0 -13.9 20.2 -6.1 79.0 57 58 A S < - 0 0 65 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.874 22.4-155.7 38.2 57.4 22.9 -3.5 78.9 58 59 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.363 19.9-159.6 -67.0 137.5 24.2 -4.7 75.5 59 60 A S S S+ 0 0 79 1,-0.3 25,-2.7 24,-0.1 2,-0.4 0.768 85.4 29.4 -81.0 -33.0 27.8 -3.9 74.6 60 61 A L E S-a 84 0A 33 23,-0.2 75,-2.2 25,-0.0 76,-1.2 -0.967 71.6-179.3-133.3 117.7 27.2 -4.4 70.9 61 62 A V E -ab 85 136A 0 23,-2.4 25,-3.0 -2,-0.4 2,-0.5 -0.916 12.3-155.4-115.0 140.1 23.8 -3.7 69.2 62 63 A L E -ab 86 137A 0 74,-2.5 76,-2.5 -2,-0.4 2,-0.4 -0.983 8.5-163.2-112.6 125.3 23.0 -4.1 65.5 63 64 A E E -ab 87 138A 0 23,-2.9 25,-2.9 -2,-0.5 2,-0.7 -0.933 7.5-155.2-105.4 134.3 20.1 -2.1 64.1 64 65 A L E S+ab 88 139A 0 74,-2.9 76,-1.9 -2,-0.4 25,-0.1 -0.918 77.2 21.7-107.8 102.9 18.5 -3.0 60.8 65 66 A G - 0 0 2 23,-2.5 -1,-0.2 -2,-0.7 24,-0.2 0.731 57.0-179.4 104.3 95.5 17.0 0.2 59.3 66 67 A A > + 0 0 0 22,-0.5 3,-2.2 1,-0.2 2,-0.5 0.867 13.9 166.5 -88.0 -43.9 18.3 3.6 60.5 67 68 A Y T 3 S- 0 0 4 1,-0.3 31,-0.5 364,-0.2 -1,-0.2 -0.472 79.0 -12.9 62.5-109.4 16.1 6.0 58.5 68 69 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.360 100.7-102.4-102.2 0.4 16.6 9.4 60.1 69 70 A G S <> S+ 0 0 0 -3,-2.2 4,-2.8 32,-0.1 5,-0.2 0.495 79.6 130.9 95.3 7.1 18.3 8.1 63.2 70 71 A Y H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 5,-0.1 0.953 80.0 38.5 -55.2 -56.1 15.5 8.3 65.7 71 72 A S H > S+ 0 0 0 -5,-0.3 4,-2.7 2,-0.2 5,-0.3 0.859 114.1 56.0 -65.5 -32.4 15.9 4.8 67.1 72 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.7 2,-0.2 5,-0.3 0.920 109.4 46.6 -64.9 -45.0 19.7 5.0 66.9 73 74 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.929 111.8 52.5 -58.5 -44.2 19.5 8.2 69.1 74 75 A R H < S+ 0 0 2 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.934 117.7 35.3 -58.8 -48.1 17.1 6.4 71.5 75 76 A M H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 4,-0.5 0.914 115.0 53.5 -75.0 -45.9 19.4 3.3 71.9 76 77 A A H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.848 100.7 61.1 -64.8 -31.2 22.8 5.0 71.8 77 78 A R T 3< S+ 0 0 52 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.665 109.2 43.8 -68.2 -16.2 21.8 7.5 74.5 78 79 A L T < S+ 0 0 40 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.393 87.1 113.8-108.2 -0.3 21.3 4.6 77.0 79 80 A L < - 0 0 17 -3,-1.1 3,-0.1 -4,-0.5 -20,-0.1 -0.449 69.3-115.2 -72.6 143.0 24.4 2.6 76.1 80 81 A Q > - 0 0 118 -22,-0.3 3,-1.9 1,-0.2 -1,-0.1 -0.266 49.5 -71.4 -67.4 161.5 27.1 2.2 78.7 81 82 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.380 124.0 18.3 -52.4 131.4 30.6 3.7 78.2 82 83 A G T 3 S+ 0 0 77 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.234 95.6 125.3 86.2 -13.4 32.5 1.7 75.5 83 84 A A < - 0 0 4 -3,-1.9 -1,-0.3 -7,-0.1 2,-0.3 -0.453 45.0-153.7 -75.3 156.0 29.3 0.1 74.1 84 85 A R E -a 60 0A 94 -25,-2.7 -23,-2.4 -2,-0.1 2,-0.4 -0.959 15.0-152.5-137.8 144.7 28.6 0.4 70.4 85 86 A L E -ac 61 111A 0 25,-2.4 27,-2.4 -2,-0.3 2,-0.5 -0.990 8.0-164.8-114.4 129.2 25.7 0.5 68.0 86 87 A L E -ac 62 112A 12 -25,-3.0 -23,-2.9 -2,-0.4 2,-0.4 -0.941 11.7-168.4-103.1 132.0 26.1 -0.6 64.4 87 88 A T E -ac 63 113A 0 25,-2.5 27,-3.1 -2,-0.5 2,-0.4 -0.985 9.5-149.6-128.2 127.8 23.2 0.5 62.2 88 89 A M E +ac 64 114A 5 -25,-2.9 -23,-2.5 -2,-0.4 -22,-0.5 -0.815 20.3 170.2 -97.3 130.8 22.6 -0.7 58.6 89 90 A E E - c 0 115A 0 25,-2.3 27,-1.4 -2,-0.4 28,-0.1 -0.949 19.6-167.8-144.0 120.7 20.9 1.6 56.1 90 91 A M S S+ 0 0 82 -2,-0.3 27,-0.2 25,-0.2 -1,-0.1 0.691 71.2 79.9 -84.7 -21.2 20.6 0.9 52.4 91 92 A N > - 0 0 43 1,-0.2 4,-2.4 25,-0.1 5,-0.2 -0.791 65.7-158.4 -92.5 111.7 19.4 4.3 51.3 92 93 A P H > S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.845 91.6 56.7 -63.3 -31.0 22.4 6.7 51.1 93 94 A D H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.930 111.6 42.8 -61.8 -45.7 20.2 9.8 51.5 94 95 A Y H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 110.2 55.6 -68.2 -38.7 18.8 8.4 54.7 95 96 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.922 107.7 51.1 -58.6 -42.9 22.2 7.3 56.0 96 97 A A H X S+ 0 0 49 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 110.5 47.8 -59.7 -45.3 23.4 10.9 55.4 97 98 A I H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.933 110.2 52.6 -60.9 -45.5 20.5 12.3 57.5 98 99 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 -31,-0.5 -2,-0.2 0.882 106.9 52.7 -58.5 -40.9 21.1 9.8 60.2 99 100 A Q H X S+ 0 0 72 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.947 111.1 46.4 -62.4 -45.0 24.8 10.8 60.5 100 101 A Q H X S+ 0 0 84 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.875 111.5 52.0 -65.2 -35.6 23.8 14.5 60.8 101 102 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.913 111.0 46.7 -63.3 -45.0 21.2 13.6 63.4 102 103 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-1.1 0.922 112.4 51.2 -63.4 -40.9 23.7 11.6 65.5 103 104 A N H ><5S+ 0 0 77 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.908 110.3 48.9 -64.1 -46.3 26.2 14.5 65.2 104 105 A F H 3<5S+ 0 0 35 -4,-2.5 -85,-3.1 1,-0.2 -84,-0.3 0.918 112.7 47.1 -60.3 -42.0 23.7 16.9 66.4 105 106 A A H 3<5S- 0 0 2 -4,-2.2 -1,-0.2 -87,-0.2 -2,-0.2 0.628 111.7-122.2 -73.8 -15.8 22.7 14.7 69.3 106 107 A G T <<5S+ 0 0 43 -4,-1.1 -3,-0.2 -3,-0.5 3,-0.2 0.702 82.4 112.1 79.7 24.5 26.4 14.2 70.1 107 108 A L >>< + 0 0 15 -5,-2.3 3,-1.9 -6,-0.2 4,-0.6 0.257 32.9 110.9-109.4 10.9 26.2 10.4 69.9 108 109 A Q G >4 S+ 0 0 60 -6,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.793 72.1 59.2 -62.4 -29.3 28.3 9.9 66.8 109 110 A D G 34 S+ 0 0 121 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.590 105.2 50.0 -79.2 -7.3 31.2 8.3 68.7 110 111 A K G <4 S+ 0 0 45 -3,-1.9 -25,-2.4 -26,-0.1 2,-0.4 0.518 107.7 61.6-101.0 -7.7 28.9 5.5 69.9 111 112 A V E << -c 85 0A 7 -3,-0.7 2,-0.5 -4,-0.6 -25,-0.2 -0.954 55.4-165.9-127.5 138.4 27.4 4.6 66.5 112 113 A T E -c 86 0A 51 -27,-2.4 -25,-2.5 -2,-0.4 2,-0.5 -0.985 16.5-147.7-117.7 123.5 28.7 3.4 63.2 113 114 A I E -c 87 0A 20 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.761 8.5-155.9 -86.7 127.4 26.5 3.6 60.2 114 115 A L E -c 88 0A 4 -27,-3.1 -25,-2.3 -2,-0.5 2,-0.8 -0.929 9.8-143.9-107.1 119.2 26.9 0.8 57.6 115 116 A N E +c 89 0A 101 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.728 59.1 54.5 -87.5 111.0 25.9 1.8 54.2 116 117 A G S S- 0 0 23 -27,-1.4 2,-0.3 -2,-0.8 -25,-0.1 -0.874 89.9 -53.8 156.4 178.1 24.3 -1.1 52.3 117 118 A A >> - 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