==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-JUL-10 3NW9 . 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) . 9544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.9 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 . 18 8.5 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 2 0 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 3 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 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 0 117 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-177.3 -2.1 23.2 32.9 2 4 A T > - 0 0 64 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.583 360.0-107.7-104.7 164.0 -1.8 21.4 29.6 3 5 A K H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.902 120.6 53.9 -54.9 -44.1 1.1 19.6 28.0 4 6 A E H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 108.1 48.5 -63.3 -41.2 1.3 22.4 25.4 5 7 A Q H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 109.8 53.1 -63.2 -38.5 1.5 25.0 28.1 6 8 A R H X S+ 0 0 63 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.861 109.1 49.4 -62.2 -37.2 4.2 22.9 29.9 7 9 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.928 111.7 47.5 -69.1 -45.0 6.2 22.8 26.6 8 10 A L H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.943 113.2 49.2 -61.3 -45.2 5.9 26.6 26.1 9 11 A R H X S+ 0 0 105 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.905 109.9 51.2 -61.6 -41.5 7.0 27.2 29.7 10 12 A Y H X S+ 0 0 45 -4,-2.3 4,-1.1 1,-0.2 3,-0.5 0.940 109.9 48.9 -62.6 -46.6 9.9 24.8 29.3 11 13 A V H >X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.8 0.931 109.6 53.1 -56.2 -46.7 11.1 26.7 26.2 12 14 A Q H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.2 37.9 -60.3 -29.1 10.8 30.0 28.0 13 15 A Q H 3< S+ 0 0 140 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.455 124.4 37.8-103.1 -4.3 13.0 28.7 30.8 14 16 A N H << S+ 0 0 86 -4,-1.1 2,-0.3 -3,-0.8 -2,-0.2 0.275 106.2 61.2-134.2 10.1 15.5 26.7 28.8 15 17 A A S < S- 0 0 19 -4,-1.4 8,-0.1 -5,-0.1 6,-0.0 -0.859 79.1-106.9-130.8 170.3 16.2 28.6 25.6 16 18 A K > - 0 0 136 3,-0.3 3,-1.9 -2,-0.3 7,-0.2 -0.832 39.0-114.1 -97.8 128.2 17.6 32.0 24.7 17 19 A P T 3 S+ 0 0 88 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.354 103.0 20.7 -60.0 141.4 15.0 34.5 23.4 18 20 A G T 3 S+ 0 0 49 85,-2.9 86,-0.2 84,-0.2 85,-0.1 0.502 99.5 107.2 75.9 6.4 15.6 35.4 19.7 19 21 A D <> - 0 0 55 -3,-1.9 4,-1.4 84,-0.3 3,-0.3 -0.843 44.8-177.4-119.4 91.1 17.5 32.1 19.2 20 22 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 81.3 57.8 -56.4 -40.7 15.4 29.7 17.2 21 23 A Q H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 106.7 49.3 -58.5 -43.2 17.9 26.8 17.3 22 24 A S H > S+ 0 0 18 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.840 108.7 54.0 -63.9 -32.2 17.8 26.9 21.2 23 25 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.942 109.9 46.7 -67.2 -45.2 14.0 26.9 21.1 24 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.948 112.1 50.7 -63.6 -44.1 14.0 23.7 18.9 25 27 A E H X S+ 0 0 106 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 109.6 50.4 -58.2 -43.1 16.6 22.0 21.1 26 28 A A H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.907 111.3 47.6 -64.0 -45.2 14.5 22.8 24.2 27 29 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.935 112.6 49.4 -62.3 -43.2 11.4 21.3 22.7 28 30 A D H X S+ 0 0 19 -4,-2.8 4,-1.3 1,-0.2 5,-0.2 0.904 112.0 48.5 -63.2 -39.5 13.2 18.2 21.5 29 31 A T H X S+ 0 0 50 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.943 112.0 49.2 -64.5 -44.5 14.7 17.7 25.0 30 32 A Y H X>S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 5,-1.8 0.906 114.0 45.4 -59.5 -43.2 11.3 18.2 26.7 31 33 A C H <5S+ 0 0 5 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.665 116.8 44.4 -81.2 -17.3 9.7 15.7 24.4 32 34 A T H <5S+ 0 0 99 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.851 127.1 26.9 -86.2 -40.9 12.4 13.2 24.6 33 35 A Q H <5S+ 0 0 139 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.716 133.6 17.7 -96.6 -27.7 12.9 13.3 28.4 34 36 A K T <5S- 0 0 139 -4,-2.5 2,-0.4 -5,-0.4 -3,-0.2 0.826 121.6 -5.2-113.1 -64.7 9.6 14.5 29.9 35 37 A E < - 0 0 53 -5,-1.8 -1,-0.2 -32,-0.1 -2,-0.1 -0.969 63.5-124.2-146.4 120.8 6.4 14.2 27.7 36 38 A W - 0 0 104 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.1 -0.274 32.3-177.9 -57.8 141.7 6.1 13.1 24.1 37 39 A A - 0 0 0 -6,-0.1 2,-1.8 2,-0.1 -6,-0.0 -0.992 38.6-108.3-142.0 159.0 4.3 15.6 21.8 38 40 A M + 0 0 90 -2,-0.3 2,-0.2 2,-0.0 29,-0.1 -0.144 65.4 138.3 -82.3 47.2 3.3 15.5 18.1 39 41 A N S S- 0 0 5 -2,-1.8 158,-0.2 1,-0.1 -2,-0.1 -0.540 70.9-108.6 -79.7 156.5 5.9 18.1 16.9 40 42 A V > - 0 0 0 -2,-0.2 4,-0.6 1,-0.1 5,-0.2 0.839 59.1-151.5 -58.2 -32.2 7.6 17.1 13.6 41 43 A G H > - 0 0 0 3,-0.2 4,-1.6 1,-0.2 -1,-0.1 -0.016 24.3 -71.2 84.3 169.8 10.7 16.4 15.7 42 44 A D H > S+ 0 0 63 3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.839 122.8 54.4 -71.9 -36.1 14.4 16.5 14.9 43 45 A A H > S+ 0 0 43 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.992 121.7 29.9 -66.3 -54.3 14.7 13.4 12.5 44 46 A K H X S+ 0 0 0 -4,-0.6 4,-2.5 151,-0.4 3,-0.3 0.837 115.3 65.2 -70.9 -35.0 11.9 14.6 10.2 45 47 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.845 97.4 54.4 -50.9 -42.8 12.9 18.2 11.0 46 48 A Q H X S+ 0 0 114 -4,-2.0 4,-2.0 -3,-0.4 -1,-0.2 0.871 108.1 48.7 -61.1 -37.5 16.3 17.6 9.4 47 49 A I H X S+ 0 0 32 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.935 110.9 50.9 -66.4 -47.0 14.6 16.5 6.2 48 50 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.906 108.6 51.7 -53.6 -42.9 12.4 19.5 6.3 49 51 A D H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.936 108.6 51.0 -64.1 -40.7 15.4 21.8 6.7 50 52 A A H X S+ 0 0 58 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.881 112.7 46.8 -65.4 -38.6 17.1 20.2 3.7 51 53 A V H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.926 111.5 49.1 -66.2 -50.3 14.0 20.8 1.6 52 54 A I H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.902 112.0 50.4 -55.1 -46.1 13.5 24.4 2.7 53 55 A R H < S+ 0 0 159 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.884 109.4 51.7 -63.4 -38.5 17.2 25.1 1.9 54 56 A E H < S+ 0 0 128 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.952 121.8 29.1 -63.9 -45.1 16.8 23.5 -1.5 55 57 A Y H < S- 0 0 74 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.649 81.1-155.2 -96.8 -13.9 13.8 25.6 -2.6 56 58 A S < - 0 0 49 -4,-2.5 -3,-0.1 -5,-0.2 -4,-0.1 0.893 25.0-152.5 37.5 56.4 14.3 28.8 -0.6 57 59 A P - 0 0 5 0, 0.0 22,-0.4 0, 0.0 3,-0.2 -0.282 19.7-156.7 -64.9 138.1 10.5 29.5 -0.7 58 60 A S S S+ 0 0 80 1,-0.3 25,-2.6 24,-0.1 2,-0.3 0.736 85.5 26.0 -82.3 -30.4 9.4 33.1 -0.6 59 61 A L E S-a 83 0A 32 23,-0.2 75,-2.1 2,-0.0 76,-1.3 -0.941 71.0-178.6-138.8 121.7 5.9 32.1 0.7 60 62 A V E -ab 84 135A 0 23,-2.1 25,-2.9 -2,-0.3 2,-0.5 -0.906 12.0-155.6-119.8 139.9 5.1 28.9 2.7 61 63 A L E -ab 85 136A 0 74,-2.2 76,-2.6 -2,-0.4 2,-0.5 -0.986 8.4-164.7-114.8 128.1 1.7 27.8 4.0 62 64 A E E -ab 86 137A 0 23,-3.1 25,-2.4 -2,-0.5 2,-0.6 -0.942 6.9-154.1-113.1 129.5 1.6 25.4 6.9 63 65 A L E S+ab 87 138A 0 74,-3.0 76,-2.0 -2,-0.5 25,-0.1 -0.927 76.4 17.2-104.8 115.8 -1.5 23.5 7.8 64 66 A G - 0 0 12 23,-2.6 -1,-0.2 -2,-0.6 24,-0.2 0.916 60.1-173.2 89.8 85.9 -1.7 22.6 11.5 65 67 A A > + 0 0 2 22,-1.0 3,-2.2 1,-0.2 2,-0.5 0.834 13.1 173.5 -75.2 -38.4 0.8 24.7 13.7 66 68 A Y T 3 S- 0 0 14 1,-0.3 31,-0.5 2,-0.1 -1,-0.2 -0.499 77.3 -13.1 62.2-111.6 0.3 22.8 17.0 67 69 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.394 100.1-102.9 -97.7 -1.9 2.9 24.4 19.3 68 70 A G S <> S+ 0 0 0 -3,-2.2 4,-3.0 -4,-0.1 5,-0.3 0.456 80.3 130.5 97.2 2.9 4.9 26.1 16.6 69 71 A Y H > S+ 0 0 2 -4,-0.3 4,-2.7 1,-0.2 5,-0.1 0.934 79.7 39.1 -51.3 -56.0 7.8 23.7 16.3 70 72 A S H > S+ 0 0 3 -5,-0.4 4,-3.0 2,-0.2 5,-0.3 0.870 113.5 56.8 -67.1 -32.5 7.7 23.3 12.5 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.3 0.934 111.2 43.5 -63.3 -42.2 6.9 27.1 12.2 72 74 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.938 113.9 52.2 -65.3 -45.8 10.1 27.9 14.1 73 75 A R H < S+ 0 0 5 -4,-2.7 4,-0.3 -5,-0.3 -2,-0.2 0.917 118.3 35.0 -57.7 -50.5 12.0 25.3 12.1 74 76 A M H >X S+ 0 0 3 -4,-3.0 3,-1.7 1,-0.2 4,-0.5 0.933 115.1 53.4 -70.0 -48.1 10.9 26.6 8.8 75 77 A A H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.835 100.6 61.8 -62.4 -33.0 10.8 30.3 9.5 76 78 A R T 3< S+ 0 0 51 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.695 107.1 45.7 -65.0 -19.6 14.4 30.3 10.9 77 79 A L T <4 S+ 0 0 29 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.465 87.5 113.6-103.4 -5.1 15.7 29.2 7.4 78 80 A L S << S- 0 0 14 -3,-1.0 3,-0.1 -4,-0.5 -20,-0.1 -0.361 70.1-113.7 -67.0 144.6 13.6 31.7 5.3 79 81 A Q > - 0 0 112 -22,-0.4 3,-2.4 1,-0.2 -1,-0.1 -0.290 50.7 -71.7 -73.5 161.9 15.4 34.4 3.4 80 82 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.364 124.7 16.6 -58.4 134.5 15.0 38.0 4.4 81 83 A G T 3 S+ 0 0 57 1,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.267 94.5 126.1 85.8 -11.5 11.5 39.1 3.3 82 84 A A < - 0 0 5 -3,-2.4 2,-0.3 -7,-0.1 -1,-0.3 -0.502 45.8-151.9 -80.0 154.7 10.2 35.6 2.9 83 85 A R E -a 59 0A 102 -25,-2.6 -23,-2.1 -2,-0.2 2,-0.4 -0.922 15.4-153.6-136.1 149.8 7.0 34.7 4.9 84 86 A L E -ac 60 110A 0 25,-2.6 27,-2.1 -2,-0.3 2,-0.4 -0.986 6.5-164.6-122.7 129.7 5.2 31.8 6.5 85 87 A L E -ac 61 111A 15 -25,-2.9 -23,-3.1 -2,-0.4 2,-0.4 -0.981 12.3-171.0-106.6 133.8 1.5 31.6 7.0 86 88 A T E -ac 62 112A 0 25,-2.7 27,-3.0 -2,-0.4 2,-0.4 -0.966 9.9-150.5-130.7 132.2 0.3 28.9 9.4 87 89 A M E +ac 63 113A 4 -25,-2.4 -23,-2.6 -2,-0.4 -22,-1.0 -0.935 18.7 169.7-104.6 134.9 -3.2 27.8 10.0 88 90 A E - 0 0 18 25,-2.6 27,-0.4 -2,-0.4 28,-0.1 -0.936 17.5-169.2-147.3 117.1 -4.3 26.4 13.4 89 91 A M + 0 0 81 -2,-0.3 27,-0.2 25,-0.2 -1,-0.1 0.725 69.6 82.9 -82.6 -20.7 -8.0 25.9 14.3 90 92 A N > - 0 0 48 1,-0.2 4,-2.5 25,-0.1 5,-0.2 -0.728 67.9-155.8 -86.6 113.3 -7.5 25.2 18.1 91 93 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.849 92.0 55.8 -60.2 -34.3 -7.3 28.7 19.7 92 94 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.922 112.3 42.3 -63.5 -45.1 -5.4 27.4 22.6 93 95 A Y H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.847 109.5 57.2 -66.5 -35.3 -2.7 26.0 20.3 94 96 A A H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 107.9 49.5 -62.9 -36.4 -2.8 29.1 18.1 95 97 A A H X S+ 0 0 46 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.902 110.2 49.4 -69.3 -39.3 -1.9 31.0 21.2 96 98 A I H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.941 111.6 49.4 -61.6 -44.2 0.9 28.7 22.1 97 99 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -31,-0.5 5,-0.2 0.904 109.7 50.7 -64.9 -44.0 2.3 28.9 18.6 98 100 A Q H X S+ 0 0 69 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.936 113.1 46.5 -61.7 -43.6 2.2 32.7 18.6 99 101 A Q H X S+ 0 0 81 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.841 110.4 52.1 -66.0 -34.1 4.0 32.8 21.9 100 102 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 111.7 47.1 -67.8 -45.7 6.6 30.3 20.7 101 103 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-0.7 0.881 111.1 51.6 -60.8 -42.2 7.3 32.4 17.6 102 104 A N H ><5S+ 0 0 76 -4,-2.4 3,-0.9 2,-0.2 -1,-0.2 0.919 108.9 50.1 -59.3 -47.0 7.5 35.6 19.7 103 105 A F H 3<5S+ 0 0 35 -4,-2.1 -85,-2.9 1,-0.3 -84,-0.3 0.919 111.2 49.5 -58.0 -43.3 10.0 34.0 22.0 104 106 A A H 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -87,-0.2 -2,-0.2 0.613 112.3-121.4 -71.9 -11.5 12.1 32.8 19.0 105 107 A G T <<5S+ 0 0 40 -3,-0.9 3,-0.3 -4,-0.7 -3,-0.2 0.677 81.9 115.5 78.5 17.5 12.0 36.3 17.6 106 108 A L >>< + 0 0 16 -5,-2.3 3,-1.5 1,-0.2 4,-0.8 0.244 31.4 111.4-102.9 11.9 10.4 35.1 14.4 107 109 A Q T 34 S+ 0 0 71 -6,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.755 72.8 58.0 -64.0 -27.2 7.1 36.9 14.7 108 110 A D T 34 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.721 108.6 46.8 -74.3 -20.2 7.8 39.3 11.8 109 111 A K T <4 S+ 0 0 44 -3,-1.5 -25,-2.6 -26,-0.1 2,-0.4 0.563 109.1 56.3 -94.2 -14.5 8.2 36.4 9.4 110 112 A V E < -c 84 0A 7 -4,-0.8 2,-0.5 -3,-0.3 -25,-0.2 -0.936 56.4-160.9-129.0 137.8 5.2 34.3 10.3 111 113 A T E -c 85 0A 62 -27,-2.1 -25,-2.7 -2,-0.4 2,-0.7 -0.995 12.4-155.0-113.3 127.3 1.4 34.9 10.5 112 114 A I E -c 86 0A 23 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.894 8.8-160.4-107.4 110.3 -0.6 32.5 12.6 113 115 A L E -c 87 0A 13 -27,-3.0 -25,-2.6 -2,-0.7 2,-1.3 -0.805 9.2-145.1 -92.4 118.7 -4.2 32.3 11.4 114 116 A N + 0 0 92 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.669 61.2 72.5 -87.7 93.8 -6.7 30.9 14.0 115 117 A G S S- 0 0 21 -2,-1.3 2,-0.3 -27,-0.4 -25,-0.1 -0.965 86.1 -63.7-176.3-177.4 -9.2 29.0 12.0 116 118 A A >> - 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