==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-SEP-10 3OZT . 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) . 11935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 65.3 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 . 0 0.0 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 . 15 7.0 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 . 73 34.3 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 3 0 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 147 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.9 48.6 -10.0 -23.3 2 4 A T > - 0 0 61 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.492 360.0-114.2 -95.9 162.7 46.4 -9.3 -20.2 3 5 A K H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.864 117.7 56.1 -57.1 -37.9 44.6 -11.7 -17.9 4 6 A E H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 106.2 48.1 -67.7 -41.1 41.3 -10.2 -19.2 5 7 A Q H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.894 109.6 54.6 -65.4 -36.3 42.1 -11.1 -22.8 6 8 A R H X S+ 0 0 83 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.827 106.7 50.5 -63.0 -36.5 43.1 -14.5 -21.7 7 9 A I H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.948 112.5 46.3 -66.1 -47.7 39.7 -15.0 -20.1 8 10 A L H X S+ 0 0 16 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.937 112.0 50.2 -59.3 -50.4 37.9 -13.9 -23.3 9 11 A R H X S+ 0 0 141 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.929 108.9 52.9 -54.4 -46.6 40.1 -16.1 -25.5 10 12 A Y H X S+ 0 0 59 -4,-2.1 4,-1.5 1,-0.2 5,-0.3 0.921 110.4 48.1 -55.7 -45.7 39.3 -19.1 -23.1 11 13 A V H >X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 3,-0.5 0.936 110.3 50.6 -59.0 -50.8 35.6 -18.4 -23.5 12 14 A Q H 3< S+ 0 0 70 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.6 44.4 -55.9 -32.8 35.9 -18.2 -27.4 13 15 A Q H 3< S+ 0 0 136 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.729 128.5 19.7 -83.4 -22.5 37.7 -21.5 -27.4 14 16 A N H << S+ 0 0 92 -4,-1.5 -3,-0.2 -3,-0.5 -2,-0.2 0.655 100.7 81.0-126.7 -23.3 35.6 -23.5 -25.0 15 17 A A S < S- 0 0 10 -4,-2.5 8,-0.1 -5,-0.3 6,-0.0 -0.420 79.1-106.9 -91.7 164.0 32.1 -22.1 -24.5 16 18 A K > - 0 0 135 3,-0.3 3,-1.8 -2,-0.1 7,-0.2 -0.797 37.4-116.7 -91.5 119.8 29.2 -22.5 -26.8 17 19 A P T 3 S+ 0 0 87 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.269 99.0 18.5 -57.0 140.2 28.3 -19.5 -28.8 18 20 A G T 3 S+ 0 0 52 85,-3.4 86,-0.2 84,-0.1 85,-0.1 0.565 99.6 110.0 75.2 6.3 24.8 -18.0 -28.1 19 21 A D <> - 0 0 56 -3,-1.8 4,-1.7 84,-0.3 3,-0.3 -0.874 46.5-173.9-116.2 94.1 24.8 -20.0 -24.8 20 22 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.858 84.2 54.7 -60.1 -37.6 25.1 -17.6 -21.8 21 23 A Q H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 106.4 51.2 -62.3 -40.2 25.3 -20.4 -19.2 22 24 A S H > S+ 0 0 25 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.870 108.4 52.1 -62.6 -40.2 28.2 -21.9 -21.0 23 25 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 -7,-0.2 -2,-0.2 0.950 110.4 47.9 -59.7 -48.0 30.0 -18.5 -21.1 24 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.940 112.1 49.9 -61.9 -41.8 29.6 -18.1 -17.3 25 27 A E H X S+ 0 0 106 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.889 109.2 51.1 -65.1 -36.0 30.8 -21.6 -16.7 26 28 A A H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.939 111.7 47.6 -66.8 -45.0 33.9 -21.1 -18.9 27 29 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.937 112.5 49.3 -58.5 -48.1 34.7 -17.9 -17.0 28 30 A D H X S+ 0 0 19 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.879 111.7 49.1 -61.7 -40.3 34.2 -19.7 -13.6 29 31 A T H X S+ 0 0 50 -4,-2.3 4,-2.5 -5,-0.2 5,-0.4 0.954 112.2 46.9 -62.1 -51.3 36.4 -22.6 -14.6 30 32 A Y H X>S+ 0 0 21 -4,-2.5 4,-2.8 1,-0.2 5,-1.9 0.928 116.5 43.4 -59.7 -43.9 39.3 -20.4 -15.9 31 33 A C H <5S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.777 114.9 49.6 -76.6 -25.0 39.3 -18.2 -12.8 32 34 A T H <5S+ 0 0 78 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.907 126.8 23.9 -71.7 -43.3 38.9 -21.1 -10.4 33 35 A Q H <5S+ 0 0 148 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.805 133.9 20.7 -95.3 -37.9 41.7 -23.1 -11.9 34 36 A K T <5S+ 0 0 146 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.826 121.3 4.0-110.4 -49.9 44.1 -20.8 -13.7 35 37 A E < - 0 0 45 -5,-1.9 -1,-0.2 -32,-0.0 -2,-0.1 -0.874 63.6-124.7-150.4 121.4 43.9 -17.2 -12.6 36 38 A W + 0 0 103 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 -0.213 36.0 173.5 -49.6 140.0 41.9 -15.4 -9.9 37 39 A A - 0 0 0 -6,-0.1 2,-1.5 2,-0.1 -2,-0.0 -0.992 42.2-107.2-154.5 155.4 39.8 -12.5 -11.1 38 40 A M + 0 0 102 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.178 65.3 135.5 -79.1 39.4 37.2 -10.1 -9.6 39 41 A N - 0 0 4 -2,-1.5 158,-0.2 1,-0.1 -2,-0.1 -0.660 68.4-114.7 -75.9 152.0 34.1 -11.6 -11.2 40 42 A V - 0 0 3 -2,-0.3 4,-0.5 1,-0.1 157,-0.2 0.865 52.7-147.1 -62.1 -29.2 31.2 -11.9 -8.8 41 43 A G > - 0 0 3 1,-0.2 4,-1.5 3,-0.1 -1,-0.1 -0.155 24.5 -71.9 87.4 168.3 31.4 -15.7 -9.2 42 44 A D H > S+ 0 0 58 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.851 122.1 57.5 -76.2 -30.3 28.8 -18.4 -9.1 43 45 A A H > S+ 0 0 49 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.972 119.2 30.7 -64.5 -57.6 28.0 -18.4 -5.3 44 46 A K H > S+ 0 0 29 -4,-0.5 4,-2.6 151,-0.4 -1,-0.2 0.842 114.9 64.8 -65.9 -30.0 27.0 -14.7 -5.2 45 47 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.896 97.2 54.2 -60.0 -39.6 25.8 -15.1 -8.8 46 48 A Q H X S+ 0 0 113 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.826 108.4 50.4 -61.6 -35.4 23.1 -17.5 -7.7 47 49 A I H X S+ 0 0 43 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.938 109.2 49.9 -68.5 -47.9 21.9 -14.9 -5.2 48 50 A M H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.907 108.5 53.8 -49.1 -46.1 21.8 -12.2 -7.9 49 51 A D H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.928 108.4 49.0 -58.2 -44.1 19.8 -14.6 -10.1 50 52 A A H X S+ 0 0 60 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.925 113.1 47.1 -66.3 -38.6 17.2 -15.1 -7.4 51 53 A V H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.950 111.8 49.1 -68.0 -45.2 16.9 -11.4 -6.8 52 54 A I H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.916 111.6 50.2 -58.3 -45.1 16.6 -10.6 -10.5 53 55 A R H < S+ 0 0 157 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.889 109.7 52.6 -63.2 -38.0 13.9 -13.3 -11.0 54 56 A E H < S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.937 120.1 30.3 -62.8 -43.9 12.0 -11.8 -8.0 55 57 A Y H < S- 0 0 114 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.668 83.5-154.9 -93.1 -17.7 11.9 -8.3 -9.2 56 58 A S < - 0 0 71 -4,-2.5 -3,-0.1 -5,-0.2 2,-0.1 0.899 22.9-154.1 43.5 55.1 11.9 -8.9 -13.0 57 59 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.425 21.3-160.0 -68.4 143.7 13.4 -5.4 -13.7 58 60 A S S S+ 0 0 77 1,-0.3 25,-2.6 24,-0.1 2,-0.4 0.736 84.8 30.5 -85.2 -28.6 12.7 -3.7 -17.1 59 61 A L E S-a 83 0A 18 23,-0.2 75,-2.1 2,-0.0 76,-1.3 -0.965 70.9-179.3-140.7 114.1 15.7 -1.4 -16.8 60 62 A V E -ab 84 135A 0 23,-2.4 25,-2.9 -2,-0.4 2,-0.5 -0.955 11.6-157.7-115.4 139.9 18.9 -2.3 -14.9 61 63 A L E -ab 85 136A 0 74,-2.4 76,-2.7 -2,-0.4 2,-0.4 -0.968 8.2-163.0-113.7 128.0 22.1 -0.1 -14.5 62 64 A E E -ab 86 137A 1 23,-3.1 25,-2.5 -2,-0.5 2,-0.7 -0.934 7.2-154.3-107.1 132.0 25.3 -1.8 -13.7 63 65 A L E S+ab 87 138A 0 74,-2.9 76,-2.0 -2,-0.4 25,-0.1 -0.912 76.6 19.3-106.4 109.2 28.3 0.1 -12.3 64 66 A G - 0 0 11 23,-2.0 -1,-0.2 -2,-0.7 24,-0.2 0.742 56.2-173.6 100.2 96.1 31.4 -1.7 -13.3 65 67 A A > + 0 0 4 22,-0.6 3,-2.5 1,-0.2 2,-0.5 0.871 16.7 167.0 -83.2 -42.4 31.5 -4.2 -16.2 66 68 A Y T 3 S- 0 0 34 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 -0.498 79.9 -13.9 62.4-111.2 35.0 -5.6 -15.9 67 69 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.404 99.3-104.3 -99.3 -0.3 34.9 -8.7 -18.2 68 70 A G S <> S+ 0 0 0 -3,-2.5 4,-2.5 32,-0.1 5,-0.2 0.541 79.9 132.2 89.8 4.3 31.1 -8.8 -18.5 69 71 A Y H > S+ 0 0 2 -4,-0.4 4,-2.6 1,-0.2 5,-0.1 0.955 79.5 39.1 -54.0 -53.0 30.5 -11.8 -16.2 70 72 A S H > S+ 0 0 5 -5,-0.4 4,-2.8 2,-0.2 5,-0.3 0.863 113.1 56.2 -69.4 -30.8 27.7 -10.0 -14.3 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.915 111.0 44.5 -63.5 -40.9 26.3 -8.4 -17.5 72 74 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.950 113.4 52.1 -64.7 -49.1 26.0 -11.9 -19.0 73 75 A R H < S+ 0 0 3 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.913 118.7 34.7 -54.9 -50.2 24.5 -13.2 -15.7 74 76 A M H >X S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.2 4,-0.5 0.907 114.6 53.2 -71.5 -48.3 21.9 -10.5 -15.5 75 77 A A H >< S+ 0 0 1 -4,-2.8 3,-1.1 -5,-0.3 -2,-0.2 0.849 100.5 62.3 -65.7 -29.7 21.0 -10.0 -19.1 76 78 A R T 3< S+ 0 0 55 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.665 106.8 47.5 -63.3 -21.1 20.3 -13.7 -19.7 77 79 A L T <4 S+ 0 0 30 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.443 87.4 111.2 -99.3 -4.3 17.5 -13.4 -17.1 78 80 A L << - 0 0 17 -3,-1.1 3,-0.1 -4,-0.5 -20,-0.1 -0.481 68.0-120.0 -70.3 144.5 15.9 -10.3 -18.5 79 81 A Q > - 0 0 121 -22,-0.3 3,-2.1 1,-0.2 -1,-0.1 -0.218 48.7 -70.7 -74.2 163.7 12.4 -10.4 -20.2 80 82 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.346 122.9 17.6 -61.0 135.6 12.0 -9.5 -23.8 81 83 A G T 3 S+ 0 0 72 1,-0.3 2,-0.1 -3,-0.1 -2,-0.0 0.254 93.9 124.6 89.8 -15.7 12.3 -5.7 -24.2 82 84 A A < - 0 0 7 -3,-2.1 2,-0.4 -7,-0.1 -1,-0.3 -0.397 47.7-147.8 -74.9 159.5 14.1 -5.2 -20.9 83 85 A R E -a 59 0A 78 -25,-2.6 -23,-2.4 -3,-0.1 2,-0.4 -0.983 13.8-157.0-134.7 145.7 17.5 -3.4 -21.0 84 86 A L E -ac 60 110A 0 25,-2.4 27,-2.3 -2,-0.4 2,-0.4 -0.978 8.5-165.6-119.1 132.2 20.8 -3.4 -19.1 85 87 A L E -ac 61 111A 0 -25,-2.9 -23,-3.1 -2,-0.4 2,-0.4 -0.964 9.1-167.2-112.8 131.6 23.1 -0.4 -19.2 86 88 A T E -ac 62 112A 0 25,-2.5 27,-3.1 -2,-0.4 2,-0.5 -0.984 9.6-148.2-130.7 130.5 26.6 -1.0 -18.0 87 89 A M E +ac 63 113A 6 -25,-2.5 -23,-2.0 -2,-0.4 -22,-0.6 -0.851 19.4 172.6-104.3 125.8 29.2 1.6 -17.2 88 90 A E E - c 0 114A 16 25,-2.6 27,-1.6 -2,-0.5 28,-0.1 -0.973 19.1-171.3-141.5 117.2 32.9 0.9 -17.7 89 91 A I S S+ 0 0 77 -2,-0.4 27,-0.1 25,-0.2 -1,-0.1 0.717 73.1 78.2 -82.7 -22.8 35.7 3.5 -17.3 90 92 A N > - 0 0 64 1,-0.2 4,-2.5 25,-0.1 3,-0.3 -0.769 67.7-157.0 -91.9 114.4 38.4 1.2 -18.8 91 93 A P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.843 94.3 55.4 -63.5 -27.4 38.2 1.1 -22.6 92 94 A D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.920 110.8 44.5 -67.7 -44.1 40.0 -2.3 -22.6 93 95 A C H > S+ 0 0 15 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.877 110.5 55.6 -62.7 -41.1 37.4 -3.8 -20.2 94 96 A A H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.893 109.4 46.8 -60.9 -44.0 34.6 -2.2 -22.2 95 97 A A H X S+ 0 0 58 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 112.8 48.1 -62.9 -46.9 35.8 -4.0 -25.4 96 98 A I H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 111.1 51.1 -57.0 -48.8 36.2 -7.3 -23.6 97 99 A T H X S+ 0 0 0 -4,-2.9 4,-2.5 -31,-0.4 5,-0.2 0.928 109.5 50.7 -58.2 -38.4 32.7 -7.0 -22.1 98 100 A Q H X S+ 0 0 64 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.946 111.1 47.7 -69.1 -40.6 31.2 -6.2 -25.5 99 101 A Q H X S+ 0 0 91 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.889 111.3 52.0 -66.3 -33.8 32.9 -9.3 -27.1 100 102 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 111.6 45.2 -67.0 -44.5 31.7 -11.4 -24.2 101 103 A L H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.6 0.888 112.6 52.6 -62.7 -46.5 28.1 -10.3 -24.6 102 104 A N H ><5S+ 0 0 62 -4,-2.8 3,-1.3 -5,-0.2 -2,-0.2 0.936 108.8 48.9 -54.6 -50.6 28.4 -10.8 -28.4 103 105 A F H 3<5S+ 0 0 39 -4,-2.7 -85,-3.4 1,-0.3 -84,-0.3 0.906 111.9 49.7 -58.5 -40.5 29.6 -14.3 -27.9 104 106 A A H 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -87,-0.2 -2,-0.2 0.559 112.2-120.0 -73.9 -12.3 26.7 -15.1 -25.5 105 107 A G T <<5S+ 0 0 42 -3,-1.3 3,-0.3 -4,-0.6 -3,-0.2 0.670 82.9 114.6 79.8 19.5 24.2 -13.7 -28.0 106 108 A L >>< + 0 0 18 -5,-2.5 3,-1.5 1,-0.2 4,-0.7 0.317 32.1 110.3-104.6 10.4 23.1 -11.0 -25.5 107 109 A Q G >4 S+ 0 0 74 -6,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.781 70.7 61.0 -63.1 -26.5 24.2 -7.9 -27.4 108 110 A D G 34 S+ 0 0 152 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.819 106.5 46.5 -70.6 -24.9 20.8 -6.7 -28.2 109 111 A K G <4 S+ 0 0 48 -3,-1.5 -25,-2.4 -26,-0.1 2,-0.4 0.586 105.3 67.5 -87.8 -16.1 19.8 -6.4 -24.5 110 112 A V E << -c 84 0A 10 -4,-0.7 2,-0.5 -3,-0.6 -25,-0.2 -0.888 54.2-166.7-124.2 134.1 22.9 -4.5 -23.3 111 113 A T E -c 85 0A 51 -27,-2.3 -25,-2.5 -2,-0.4 2,-0.5 -0.991 16.0-147.1-118.1 123.3 24.3 -1.1 -23.9 112 114 A I E -c 86 0A 20 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.750 7.9-159.4 -90.9 128.5 28.0 -0.3 -22.8 113 115 A L E -c 87 0A 0 -27,-3.1 -25,-2.6 -2,-0.5 2,-0.6 -0.935 7.5-148.3-109.7 125.6 28.7 3.2 -21.6 114 116 A N E +c 88 0A 103 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.825 56.8 58.2-100.6 112.8 32.4 4.2 -21.7 115 117 A G S S- 0 0 22 -27,-1.6 2,-0.3 -2,-0.6 -25,-0.1 -0.914 90.6 -52.7 155.5 175.8 33.3 6.6 -19.1 116 118 A A >> - 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