==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDENUM COFACTOR BIOSYNTHESIS 27-FEB-03 1HJL . COMPND 2 MOLECULE: MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GUSE,C.E.M.STEVENSON,J.KUPER,G.BUCHANAN,G.SCHWARZ, . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.0 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 . 2 1.1 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 2 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A M 0 0 159 0, 0.0 2,-0.3 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 9.2 7.9 -7.4 53.0 2 5 A T - 0 0 73 1,-0.1 3,-0.1 42,-0.0 42,-0.0 -0.959 360.0-132.8-128.4 159.9 10.0 -4.1 52.8 3 6 A T S S+ 0 0 106 -2,-0.3 88,-0.7 1,-0.2 2,-0.4 0.865 83.7 26.3 -79.8 -41.3 9.0 -0.4 52.9 4 7 A I E -a 91 0A 16 86,-0.1 2,-0.5 85,-0.1 42,-0.5 -0.995 64.9-146.7-128.9 128.0 10.8 1.3 50.0 5 8 A T E -a 92 0A 7 86,-2.7 88,-2.9 -2,-0.4 2,-0.3 -0.836 19.4-137.8 -87.9 127.4 12.0 -0.2 46.7 6 9 A G E -ab 93 47A 0 40,-2.6 42,-2.8 -2,-0.5 2,-0.4 -0.666 21.2-167.4 -83.6 141.6 15.2 1.4 45.4 7 10 A V E -ab 94 48A 0 86,-2.8 88,-1.7 -2,-0.3 2,-0.6 -0.962 14.9-152.5-137.4 119.7 15.2 2.0 41.6 8 11 A V E -ab 95 49A 0 40,-2.8 42,-3.0 -2,-0.4 2,-1.1 -0.784 16.1-145.7 -89.2 121.7 18.1 2.8 39.4 9 12 A L E +ab 96 50A 16 86,-2.4 88,-2.1 -2,-0.6 89,-0.2 -0.739 24.4 172.1 -88.0 97.6 16.9 4.8 36.4 10 13 A A - 0 0 13 40,-2.5 42,-0.3 -2,-1.1 13,-0.3 0.119 47.3-105.2-101.4 25.2 19.2 3.7 33.6 11 14 A G - 0 0 41 40,-0.1 41,-0.5 41,-0.1 -1,-0.2 0.104 28.4-140.0 98.7 167.3 17.3 5.5 30.8 12 15 A G + 0 0 28 39,-0.1 40,-0.2 40,-0.1 55,-0.0 0.281 60.3 69.4-124.6-112.3 14.9 4.6 28.0 13 16 A K - 0 0 79 60,-0.3 -2,-0.0 1,-0.2 5,-0.0 0.188 48.4-158.6 30.3 -82.8 14.3 5.6 24.3 14 17 A A + 0 0 44 4,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.919 25.3 174.9 64.4 48.4 17.3 4.4 22.2 15 18 A R S S+ 0 0 104 3,-0.2 2,-0.4 2,-0.2 4,-0.1 0.762 72.3 23.9 -66.3 -41.1 16.2 7.1 19.7 16 19 A R S S- 0 0 75 2,-0.4 2,-1.2 0, 0.0 0, 0.0 -0.858 135.7 -67.7-102.6 154.5 19.1 6.6 17.3 17 20 A M S S- 0 0 106 -2,-0.4 2,-1.5 1,-0.2 -2,-0.2 -0.139 88.4 -81.8 -51.5 88.2 20.2 3.0 18.0 18 21 A G - 0 0 26 -2,-1.2 -2,-0.4 -4,-0.1 2,-0.3 -0.345 51.5-158.2 49.5 -80.5 21.3 4.3 21.4 19 22 A G + 0 0 51 -2,-1.5 2,-0.1 -5,-0.1 0, 0.0 -0.801 69.6 12.6 86.2-149.7 24.7 5.9 21.1 20 23 A V - 0 0 96 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.311 68.0-143.4 -63.0 130.6 26.4 5.9 24.5 21 24 A D > - 0 0 22 1,-0.2 3,-1.1 -2,-0.1 4,-0.5 -0.811 17.7-167.0 -92.3 95.4 24.9 3.7 27.2 22 25 A K G > S+ 0 0 74 -2,-1.1 3,-1.4 1,-0.3 10,-0.4 0.861 80.3 56.5 -56.1 -43.4 25.5 6.1 30.2 23 26 A G G 3 S+ 0 0 1 -13,-0.3 10,-2.3 1,-0.3 11,-0.4 0.790 105.8 52.7 -63.9 -24.3 24.7 3.5 32.9 24 27 A L G < S+ 0 0 35 -3,-1.1 -1,-0.3 7,-0.2 -2,-0.2 0.518 79.1 113.0 -90.3 -6.1 27.3 1.2 31.5 25 28 A L S < S- 0 0 36 -3,-1.4 7,-2.7 -4,-0.5 2,-0.5 -0.442 70.3-121.1 -66.8 141.0 30.3 3.7 31.5 26 29 A E E -G 31 0B 104 5,-0.3 2,-0.6 6,-0.1 3,-0.1 -0.776 25.0-169.4-104.5 131.0 32.8 2.6 34.0 27 30 A L E > S-G 30 0B 1 3,-3.0 3,-1.6 -2,-0.5 158,-0.1 -0.972 84.9 -16.6-115.8 116.7 34.0 4.5 37.0 28 31 A N T 3 S- 0 0 105 -2,-0.6 -1,-0.2 1,-0.3 160,-0.0 0.906 132.4 -50.3 50.9 45.2 37.0 2.8 38.6 29 32 A G T 3 S+ 0 0 59 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.435 122.3 99.0 79.6 0.1 36.2 -0.3 36.8 30 33 A K E < S-G 27 0B 72 -3,-1.6 -3,-3.0 -5,-0.0 -1,-0.1 -0.981 79.1-106.6-127.2 130.2 32.5 -0.4 37.8 31 34 A P E >> -G 26 0B 31 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.195 27.7-123.4 -49.1 139.9 29.5 0.7 35.7 32 35 A L H 3> S+ 0 0 0 -7,-2.7 4,-2.1 -10,-0.4 3,-0.3 0.896 112.0 57.8 -52.5 -44.9 27.9 4.0 36.9 33 36 A W H 3> S+ 0 0 5 -10,-2.3 4,-2.8 1,-0.2 -1,-0.3 0.875 105.6 50.3 -61.4 -28.9 24.6 2.3 37.3 34 37 A Q H <> S+ 0 0 27 -3,-0.8 4,-3.1 -11,-0.4 -1,-0.2 0.819 104.1 56.5 -78.5 -31.8 26.1 -0.2 39.7 35 38 A H H X S+ 0 0 30 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.905 112.6 43.9 -56.3 -47.1 27.7 2.5 41.8 36 39 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 61,-0.2 -2,-0.2 0.939 113.6 49.2 -67.8 -45.1 24.2 3.8 42.2 37 40 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 111.4 50.3 -60.4 -42.6 22.7 0.4 42.8 38 41 A D H X S+ 0 0 49 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.902 109.4 50.6 -62.8 -40.1 25.3 -0.4 45.5 39 42 A A H X S+ 0 0 17 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.885 112.4 47.2 -62.7 -40.1 24.7 2.9 47.2 40 43 A L H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-1.0 0.899 108.1 55.2 -65.6 -41.2 21.0 2.2 47.3 41 44 A M H 3< S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.782 96.9 65.3 -67.1 -24.5 21.6 -1.4 48.6 42 45 A T H 3< S+ 0 0 107 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.862 118.7 24.7 -54.6 -39.1 23.5 0.1 51.5 43 46 A Q H << S+ 0 0 41 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.2 0.579 125.8 43.0-107.4 -10.8 20.3 1.7 52.6 44 47 A L < - 0 0 19 -4,-1.8 -1,-0.2 1,-0.1 -39,-0.1 -0.997 59.7-146.3-141.7 141.7 17.5 -0.6 51.1 45 48 A S S S+ 0 0 110 -2,-0.3 2,-0.6 -41,-0.2 -1,-0.1 0.807 87.8 50.4 -75.9 -33.0 17.1 -4.4 50.8 46 49 A H + 0 0 71 -42,-0.5 -40,-2.6 -6,-0.1 2,-0.4 -0.923 65.6 165.3-116.9 114.3 15.2 -4.5 47.5 47 50 A V E +b 6 0A 6 -2,-0.6 17,-0.4 -42,-0.2 2,-0.3 -0.992 7.1 179.1-132.4 133.4 16.7 -2.6 44.5 48 51 A V E -b 7 0A 0 -42,-2.8 -40,-2.8 -2,-0.4 2,-0.4 -0.765 18.5-131.1-124.3 173.2 15.9 -2.9 40.9 49 52 A V E -bc 8 65A 0 15,-2.4 17,-3.3 -2,-0.3 2,-0.7 -0.989 3.3-146.9-133.2 135.6 17.0 -1.2 37.6 50 53 A N E +bc 9 66A 4 -42,-3.0 -40,-2.5 -2,-0.4 2,-0.3 -0.920 36.6 154.3 -97.4 115.0 15.1 0.3 34.8 51 54 A A - 0 0 0 15,-1.2 -40,-0.1 -2,-0.7 -39,-0.1 -0.996 28.5-177.0-144.2 140.6 17.0 -0.2 31.6 52 55 A N S S+ 0 0 33 -41,-0.5 2,-0.3 -42,-0.3 3,-0.1 0.469 70.6 54.2-117.2 -7.9 15.9 -0.4 28.0 53 56 A R S S+ 0 0 51 -43,-0.2 5,-0.2 -42,-0.2 -39,-0.0 -0.912 111.5 6.9-121.5 155.4 19.2 -1.2 26.1 54 57 A H S >> S+ 0 0 84 -2,-0.3 4,-1.7 1,-0.1 3,-1.1 0.818 70.4 169.4 49.4 41.9 21.7 -4.0 26.7 55 58 A Q H 3> + 0 0 42 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.820 68.9 60.0 -58.6 -37.4 19.5 -5.6 29.2 56 59 A E H 3> S+ 0 0 70 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.850 104.7 50.6 -59.9 -35.8 21.6 -8.8 29.4 57 60 A I H X4 S+ 0 0 100 -3,-1.1 3,-1.2 2,-0.2 4,-0.4 0.976 113.0 45.4 -66.5 -50.5 24.6 -6.7 30.5 58 61 A Y H >< S+ 0 0 1 -4,-1.7 3,-1.1 1,-0.2 5,-0.4 0.881 109.0 57.3 -56.0 -39.0 22.4 -5.1 33.3 59 62 A Q H >< S+ 0 0 104 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.711 87.3 80.7 -66.8 -20.3 21.0 -8.6 34.2 60 63 A A T << S+ 0 0 86 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.812 82.9 59.8 -60.0 -31.2 24.5 -9.9 34.9 61 64 A S T < S- 0 0 54 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 0.510 114.9-112.8 -83.9 4.2 24.7 -8.4 38.3 62 65 A G S < S+ 0 0 67 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.405 73.3 127.0 89.2 -3.2 21.7 -10.3 39.5 63 66 A L - 0 0 33 -5,-0.4 -1,-0.3 1,-0.1 2,-0.3 -0.566 69.9 -95.7 -84.1 155.3 19.2 -7.5 40.0 64 67 A K - 0 0 98 -17,-0.4 -15,-2.4 -2,-0.2 2,-0.6 -0.509 37.2-149.3 -65.0 131.1 15.7 -7.4 38.4 65 68 A V E -c 49 0A 23 -2,-0.3 2,-0.5 -17,-0.2 -15,-0.2 -0.919 9.7-160.5-110.1 123.8 15.9 -5.4 35.2 66 69 A I E -c 50 0A 1 -17,-3.3 -15,-1.2 -2,-0.6 2,-0.2 -0.921 3.0-156.4-111.1 124.3 12.6 -3.6 34.3 67 70 A E - 0 0 90 -2,-0.5 2,-0.2 -17,-0.2 -15,-0.1 -0.589 25.0-101.2 -93.9 156.2 11.9 -2.4 30.7 68 71 A D - 0 0 35 -2,-0.2 11,-0.1 1,-0.1 -1,-0.1 -0.476 41.3 -99.2 -71.5 146.3 9.5 0.4 29.7 69 72 A S > - 0 0 42 9,-0.3 3,-2.0 -2,-0.2 4,-0.3 -0.249 34.1-109.3 -58.3 149.6 6.0 -0.4 28.3 70 73 A L T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.659 105.9 91.6 -59.8 -15.5 5.7 -0.3 24.5 71 74 A A T 3 S- 0 0 43 1,-0.1 -1,-0.3 7,-0.1 -2,-0.0 0.795 83.1-150.3 -46.7 -34.0 3.6 2.9 25.1 72 75 A D < - 0 0 119 -3,-2.0 -2,-0.1 1,-0.1 -1,-0.1 0.910 19.3-173.1 63.6 44.7 7.0 4.7 24.6 73 76 A Y - 0 0 61 -4,-0.3 2,-0.3 1,-0.1 -60,-0.3 -0.365 24.4-105.8 -68.6 153.7 6.2 7.7 26.9 74 77 A P - 0 0 57 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.600 65.7 -1.0 -88.0 144.6 8.9 10.4 26.9 75 78 A G S >> S- 0 0 47 -2,-0.3 3,-1.3 1,-0.2 4,-0.6 -0.049 101.6 -44.6 85.9-177.7 11.4 11.4 29.5 76 79 A P H 3> S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.718 124.1 68.3 -63.9 -25.4 12.3 10.1 33.0 77 80 A L H 3> S+ 0 0 0 75,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.783 90.6 63.6 -67.3 -26.5 8.7 9.8 34.2 78 81 A A H <> S+ 0 0 4 -3,-1.3 4,-2.5 -4,-0.2 -9,-0.3 0.871 104.0 46.9 -64.3 -38.3 8.0 6.9 31.7 79 82 A G H X S+ 0 0 3 -4,-0.6 4,-2.3 -3,-0.5 -1,-0.2 0.884 109.9 52.9 -73.3 -38.0 10.6 4.8 33.5 80 83 A M H X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.950 112.2 45.3 -57.2 -50.3 9.2 5.7 36.9 81 84 A L H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 110.1 54.1 -61.0 -46.1 5.7 4.6 35.7 82 85 A S H X S+ 0 0 3 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.914 110.3 48.0 -55.1 -42.7 7.0 1.4 34.1 83 86 A V H >X S+ 0 0 0 -4,-2.3 3,-0.8 2,-0.2 4,-0.7 0.925 110.0 50.0 -64.7 -44.7 8.6 0.4 37.4 84 87 A M H 3< S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.859 110.0 52.0 -62.6 -33.6 5.5 1.2 39.5 85 88 A Q H 3< S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.684 117.4 39.2 -71.8 -21.0 3.4 -1.0 37.1 86 89 A Q H << S+ 0 0 83 -4,-0.9 2,-0.4 -3,-0.8 -2,-0.2 0.280 111.2 58.2-114.7 8.7 5.9 -3.9 37.5 87 90 A E < - 0 0 22 -4,-0.7 -1,-0.1 -3,-0.4 2,-0.1 -0.999 67.8-144.5-143.6 135.2 6.7 -3.8 41.2 88 91 A A + 0 0 81 -2,-0.4 3,-0.1 -3,-0.1 -83,-0.1 -0.208 52.2 90.5 -80.5 179.0 4.4 -4.0 44.2 89 92 A G S S- 0 0 33 1,-0.1 -86,-0.1 -2,-0.1 -2,-0.1 -0.004 73.7-105.5 101.4 144.6 5.1 -2.1 47.3 90 93 A E S S+ 0 0 134 -87,-0.2 47,-3.8 46,-0.1 2,-0.3 0.706 91.8 41.0 -89.5 -23.7 4.0 1.3 48.5 91 94 A W E -aD 4 136A 33 -88,-0.7 -86,-2.7 45,-0.3 2,-0.4 -0.959 55.2-168.3-130.5 144.3 7.2 3.4 48.2 92 95 A F E -aD 5 135A 0 43,-2.3 43,-2.9 -2,-0.3 2,-0.6 -0.996 10.9-156.2-131.2 135.6 9.9 3.8 45.6 93 96 A L E -aD 6 134A 0 -88,-2.9 -86,-2.8 -2,-0.4 2,-0.3 -0.941 21.8-165.3-108.2 106.2 13.2 5.7 45.9 94 97 A F E +aD 7 133A 0 39,-2.8 39,-1.0 -2,-0.6 -86,-0.2 -0.646 13.4 171.1 -87.8 147.3 14.3 6.6 42.3 95 98 A C E -a 8 0A 0 -88,-1.7 -86,-2.4 -2,-0.3 37,-0.2 -0.888 33.2-117.3-154.9 126.7 17.9 7.7 41.4 96 99 A P E > -a 9 0A 20 0, 0.0 3,-1.0 0, 0.0 -86,-0.2 -0.245 28.4-115.2 -61.5 159.3 19.3 8.2 37.9 97 100 A C T 3 S+ 0 0 6 -88,-2.1 -61,-0.2 1,-0.3 -62,-0.2 0.507 106.2 68.3 -76.2 -2.7 22.3 6.0 37.0 98 101 A D T 3 S+ 0 0 11 -89,-0.2 80,-2.9 1,-0.2 -1,-0.3 0.231 76.8 77.5-106.4 14.6 24.6 9.0 36.7 99 102 A T X + 0 0 0 -3,-1.0 3,-1.2 78,-0.2 -1,-0.2 -0.728 52.3 168.3-121.4 76.3 24.9 10.1 40.4 100 103 A P T 3 + 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.623 66.9 60.2 -71.7 -11.0 27.4 7.5 41.7 101 104 A Y T 3 + 0 0 78 75,-0.4 75,-0.1 73,-0.2 74,-0.1 0.209 65.8 148.1-103.9 18.4 28.1 9.3 45.0 102 105 A I < - 0 0 9 -3,-1.2 73,-0.1 1,-0.1 -7,-0.0 -0.203 49.7-111.4 -55.9 147.0 24.6 9.4 46.5 103 106 A P > - 0 0 12 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.347 11.4-116.3 -87.1 161.7 24.8 9.2 50.3 104 107 A P T 3 S+ 0 0 94 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.587 113.2 55.7 -73.4 -6.9 23.8 6.4 52.8 105 108 A D T 3> S+ 0 0 55 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.146 74.0 108.4-107.4 15.9 21.1 8.6 54.4 106 109 A L H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 5,-0.2 0.941 85.9 36.3 -49.7 -57.8 19.3 9.4 51.2 107 110 A A H > S+ 0 0 7 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 118.2 52.7 -68.7 -40.9 16.2 7.3 51.9 108 111 A A H > S+ 0 0 64 -4,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.912 112.9 42.1 -60.5 -48.3 16.3 8.2 55.7 109 112 A R H X S+ 0 0 68 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.931 114.9 49.6 -69.8 -43.9 16.4 12.0 55.2 110 113 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.3 -2,-0.2 0.950 114.4 46.2 -59.3 -46.2 13.8 12.0 52.4 111 114 A N H >< S+ 0 0 81 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.946 112.4 50.3 -56.7 -48.3 11.6 9.9 54.6 112 115 A H H 3< S+ 0 0 140 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.867 116.6 42.1 -61.1 -34.0 12.2 12.1 57.6 113 116 A Q H 3< S+ 0 0 35 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.446 83.5 98.6 -96.9 0.7 11.4 15.2 55.6 114 117 A R X< - 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