==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 19-JAN-07 2E8B . COMPND 2 MOLECULE: PROBABLE MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSY . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR T.S.KUMAREVEL,S.M.MALATHY SONY,M.N.PONNUSWAMY,S.KURAMITSU,S. . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 7.0 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 . 1 0.5 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 27.0 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+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 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 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 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 4 A F 0 0 101 0, 0.0 5,-0.3 0, 0.0 8,-0.3 0.000 360.0 360.0 360.0 166.2 8.3 34.9 6.9 2 5 A T + 0 0 15 1,-0.1 3,-0.2 3,-0.1 5,-0.0 0.914 360.0 69.3 -82.5 -48.0 9.7 32.6 9.5 3 6 A W S S+ 0 0 88 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.725 115.2 24.5 -44.0 -37.1 6.9 31.2 11.8 4 7 A R S >> S- 0 0 53 46,-0.1 3,-1.5 -3,-0.0 4,-0.6 -0.898 88.9-139.6-132.4 106.2 5.4 29.1 9.0 5 8 A K T 34 S+ 0 0 77 -2,-0.4 -3,-0.1 -3,-0.2 46,-0.1 -0.425 83.9 20.8 -66.5 130.6 7.9 28.2 6.3 6 9 A G T 34 S+ 0 0 24 3,-0.4 -1,-0.2 -5,-0.3 6,-0.1 0.304 103.0 87.8 96.6 -8.0 6.5 28.4 2.8 7 10 A S T <4 S+ 0 0 66 -3,-1.5 -2,-0.1 -6,-0.2 -5,-0.1 0.958 96.2 20.7 -86.9 -72.0 3.5 30.7 3.5 8 11 A L S < S+ 0 0 129 -4,-0.6 2,-0.4 -7,-0.1 -3,-0.1 0.797 130.2 38.1 -71.4 -29.5 4.5 34.4 3.2 9 12 A S - 0 0 18 -8,-0.3 -3,-0.4 2,-0.1 -1,-0.1 -0.975 60.8-153.7-126.5 140.2 7.6 33.7 1.1 10 13 A K S S+ 0 0 170 -2,-0.4 2,-1.1 -5,-0.1 86,-0.2 0.423 74.0 101.1 -86.8 -0.2 8.1 31.2 -1.7 11 14 A V + 0 0 9 1,-0.2 -5,-0.2 84,-0.1 86,-0.1 -0.772 41.2 159.4 -86.6 102.4 11.8 31.3 -0.9 12 15 A N + 0 0 20 -2,-1.1 41,-2.1 84,-0.3 40,-0.8 0.485 49.3 66.4-103.8 -6.0 12.1 28.0 1.1 13 16 A T E -a 53 0A 1 83,-0.4 85,-2.6 39,-0.2 2,-0.4 -0.918 55.2-171.3-123.9 147.7 15.8 27.3 0.7 14 17 A C E -ab 54 98A 0 39,-2.0 41,-2.7 -2,-0.4 2,-0.5 -0.992 11.8-150.4-136.2 142.7 19.0 29.1 2.0 15 18 A Y E -ab 55 99A 0 83,-2.5 85,-2.6 -2,-0.4 2,-0.6 -0.960 8.8-155.9-115.7 120.7 22.7 28.6 1.3 16 19 A V E -ab 56 100A 0 39,-3.3 41,-3.0 -2,-0.5 2,-0.7 -0.874 16.9-138.5 -97.7 117.7 25.1 29.5 4.0 17 20 A L E +ab 57 101A 15 83,-1.9 85,-2.3 -2,-0.6 41,-0.1 -0.680 28.8 170.1 -83.0 114.5 28.5 30.3 2.5 18 21 A A E - 0 0 25 39,-2.8 40,-0.2 -2,-0.7 -1,-0.2 0.574 30.3-154.8 -97.3 -14.7 31.4 28.8 4.5 19 22 A G E -a 58 0A 33 38,-0.7 40,-1.3 61,-0.1 -1,-0.2 -0.225 19.2 -75.4 75.8-161.0 34.2 29.5 2.0 20 23 A G S S- 0 0 11 1,-0.4 3,-0.1 38,-0.2 40,-0.1 0.203 84.5 -10.4-109.8-128.4 37.5 27.7 1.5 21 24 A K S S- 0 0 186 1,-0.1 -1,-0.4 2,-0.0 58,-0.0 -0.393 88.9 -81.3 -73.4 152.9 40.7 27.9 3.5 22 25 A S - 0 0 55 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.225 36.9-170.3 -54.3 139.9 41.0 30.5 6.2 23 26 A K + 0 0 190 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.308 57.4 99.1-114.1 3.0 42.0 33.9 4.9 24 27 A R + 0 0 101 5,-0.1 2,-0.3 2,-0.0 9,-0.1 -0.811 53.4 178.7 -93.6 129.5 42.6 35.5 8.3 25 28 A F + 0 0 140 -2,-0.5 3,-0.2 4,-0.0 2,-0.2 -0.828 22.8 69.0-129.9 167.2 46.3 35.6 9.3 26 29 A G S > S- 0 0 45 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.558 91.0 -50.4 119.2 176.0 48.5 36.8 12.2 27 30 A E T 3 S+ 0 0 194 1,-0.3 3,-0.4 -2,-0.2 -1,-0.2 0.833 135.0 44.1 -55.1 -37.8 49.2 35.9 15.8 28 31 A D T 3> S+ 0 0 84 -3,-0.2 4,-1.3 1,-0.2 3,-0.3 0.196 78.4 110.9 -95.0 16.7 45.6 36.0 16.8 29 32 A K H <> S+ 0 0 81 -3,-1.8 4,-2.3 1,-0.2 3,-0.3 0.902 73.2 57.0 -59.3 -40.3 44.3 34.1 13.7 30 33 A L H > S+ 0 0 109 -3,-0.4 4,-2.8 -4,-0.3 5,-0.3 0.897 101.5 56.5 -58.5 -40.3 43.4 31.0 15.8 31 34 A L H > S+ 0 0 122 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.901 111.4 44.0 -56.9 -41.2 41.1 33.1 18.0 32 35 A Y H X S+ 0 0 45 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.859 112.5 51.1 -73.3 -35.7 39.2 34.2 14.9 33 36 A E H X S+ 0 0 60 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.897 114.2 43.5 -69.2 -40.1 39.1 30.7 13.4 34 37 A I H >X S+ 0 0 83 -4,-2.8 4,-1.0 2,-0.2 3,-0.9 0.934 116.3 46.0 -70.4 -46.3 37.7 29.1 16.6 35 38 A K H 3X S+ 0 0 67 -4,-2.1 4,-2.0 -5,-0.3 3,-0.4 0.874 105.7 64.7 -62.2 -35.9 35.2 31.9 17.2 36 39 A G H 3X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.763 95.5 56.4 -59.2 -28.6 34.3 31.6 13.5 37 40 A K H < S+ 0 0 27 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.936 110.0 48.8 -61.4 -45.0 19.2 31.3 12.4 47 50 A A H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-1.8 0.923 107.0 55.0 -60.9 -45.0 18.6 30.2 8.8 48 51 A K H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 99.8 61.5 -61.9 -22.9 16.9 27.0 9.8 49 52 A S T << S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.658 117.3 30.1 -77.6 -13.2 14.5 29.0 11.9 50 53 A V T <4 S+ 0 0 5 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.736 114.9 56.1-112.4 -35.7 13.3 30.7 8.7 51 54 A F < - 0 0 0 -4,-2.9 -38,-0.2 1,-0.1 -1,-0.1 -0.791 63.1-140.0-111.3 149.4 13.8 28.1 5.8 52 55 A K S S+ 0 0 123 -40,-0.8 2,-0.4 -2,-0.3 -39,-0.2 0.857 97.1 28.4 -66.8 -36.8 12.6 24.6 5.2 53 56 A E E -a 13 0A 89 -41,-2.1 -39,-2.0 -6,-0.1 2,-0.4 -0.993 66.1-178.8-132.4 134.4 16.0 23.7 3.8 54 57 A V E -a 14 0A 5 -2,-0.4 2,-0.3 -41,-0.2 -39,-0.2 -0.998 6.2-171.0-132.9 129.3 19.4 25.1 4.6 55 58 A Y E -a 15 0A 35 -41,-2.7 -39,-3.3 -2,-0.4 2,-0.5 -0.889 18.2-135.8-120.6 151.6 22.7 24.0 3.0 56 59 A I E -ac 16 71A 0 14,-2.3 16,-3.1 -2,-0.3 2,-0.7 -0.916 15.1-149.5-105.1 126.9 26.3 24.8 3.8 57 60 A V E +ac 17 72A 2 -41,-3.0 -39,-2.8 -2,-0.5 -38,-0.7 -0.881 37.5 143.3 -98.3 117.1 28.5 25.7 0.8 58 61 A A E -ac 19 73A 0 14,-1.5 16,-2.5 -2,-0.7 -38,-0.2 -0.982 56.4-130.8-150.6 160.4 32.0 24.6 1.5 59 62 A K S S+ 0 0 48 -40,-1.3 2,-0.4 -2,-0.3 -39,-0.1 0.618 100.3 46.6 -86.2 -15.1 35.1 23.2 -0.2 60 63 A D - 0 0 84 1,-0.1 4,-0.4 -40,-0.1 -1,-0.2 -0.945 61.9-168.5-133.7 112.7 35.6 20.6 2.6 61 64 A R S > S+ 0 0 121 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.926 89.7 49.6 -65.5 -47.3 32.7 18.5 3.8 62 65 A E G > S+ 0 0 147 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.800 99.0 68.7 -63.8 -26.8 34.4 17.0 6.9 63 66 A K G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.740 110.2 34.8 -62.9 -22.6 35.6 20.4 7.9 64 67 A F G X >S+ 0 0 11 -3,-1.5 3,-1.7 -4,-0.4 5,-0.5 0.095 78.8 111.9-120.6 22.2 31.9 21.2 8.7 65 68 A S G X 5 + 0 0 58 -3,-1.4 3,-1.9 1,-0.3 -2,-0.1 0.805 68.7 72.6 -63.5 -27.2 30.6 17.9 9.9 66 69 A F G 3 5S+ 0 0 88 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.636 86.8 63.7 -63.5 -13.9 30.3 19.6 13.3 67 70 A L G < 5S- 0 0 9 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.592 96.4-138.7 -85.9 -11.2 27.3 21.5 12.0 68 71 A N T < 5 + 0 0 152 -3,-1.9 -3,-0.1 -4,-0.2 -2,-0.1 0.890 61.7 128.4 54.3 39.9 25.3 18.3 11.5 69 72 A A < - 0 0 21 -5,-0.5 2,-0.3 -4,-0.1 -1,-0.2 -0.896 69.2 -96.3-129.4 156.9 24.1 19.9 8.2 70 73 A P - 0 0 65 0, 0.0 -14,-2.3 0, 0.0 2,-0.5 -0.527 40.5-148.6 -71.6 130.9 24.0 19.0 4.5 71 74 A V E -c 56 0A 17 -2,-0.3 2,-0.7 -16,-0.2 -14,-0.2 -0.879 9.1-154.1-107.4 130.4 27.0 20.3 2.6 72 75 A V E -c 57 0A 16 -16,-3.1 -14,-1.5 -2,-0.5 2,-0.3 -0.913 32.7-123.6-100.4 117.2 26.9 21.4 -1.1 73 76 A L E -c 58 0A 63 -2,-0.7 2,-0.9 -16,-0.2 -14,-0.2 -0.471 12.9-152.6 -73.0 125.1 30.5 21.0 -2.3 74 77 A D - 0 0 8 -16,-2.5 10,-0.1 -2,-0.3 -1,-0.1 -0.853 15.3-172.6 -91.4 106.5 32.4 23.9 -3.9 75 78 A E + 0 0 138 -2,-0.9 2,-0.2 -15,-0.0 -1,-0.1 0.444 46.6 105.6 -85.7 -1.2 34.7 21.9 -6.1 76 79 A F - 0 0 77 1,-0.1 -2,-0.1 2,-0.1 7,-0.0 -0.483 62.9-145.3 -80.5 151.5 36.9 24.8 -7.2 77 80 A E S S+ 0 0 180 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.877 79.5 81.0 -80.3 -42.4 40.4 25.4 -5.9 78 81 A E S S- 0 0 109 1,-0.1 2,-0.8 -58,-0.1 -2,-0.1 -0.400 76.7-137.6 -67.7 140.6 40.2 29.2 -5.9 79 82 A S + 0 0 78 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.846 44.3 141.5-104.5 100.1 38.4 30.7 -2.9 80 83 A A >> - 0 0 25 -2,-0.8 4,-1.3 1,-0.1 3,-1.0 -0.996 54.9-129.2-139.2 141.9 36.1 33.5 -4.2 81 84 A S H 3> S+ 0 0 64 -2,-0.3 4,-2.1 1,-0.3 3,-0.2 0.861 109.3 59.1 -58.2 -36.5 32.7 34.6 -3.0 82 85 A I H 3> S+ 0 0 0 73,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.812 102.8 53.9 -64.5 -27.8 31.4 34.5 -6.6 83 86 A I H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.842 107.0 50.1 -74.7 -32.9 32.3 30.8 -6.8 84 87 A G H X S+ 0 0 7 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.887 111.3 49.9 -70.0 -36.9 30.3 30.1 -3.7 85 88 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.922 110.0 49.9 -64.9 -45.5 27.4 31.9 -5.2 86 89 A Y H X S+ 0 0 29 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.936 110.4 50.6 -58.5 -47.2 27.8 29.9 -8.4 87 90 A T H X S+ 0 0 9 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.886 111.1 48.8 -59.4 -40.5 27.8 26.7 -6.4 88 91 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.943 113.5 44.7 -65.5 -48.6 24.7 27.7 -4.6 89 92 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.812 108.8 56.7 -67.7 -30.7 22.7 28.6 -7.7 90 93 A K H < S+ 0 0 103 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.890 113.6 41.2 -66.1 -38.0 23.8 25.5 -9.6 91 94 A H H < S+ 0 0 49 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.777 87.5 123.6 -79.5 -29.4 22.4 23.4 -6.7 92 95 A A < - 0 0 4 -4,-1.9 5,-0.1 1,-0.1 -3,-0.1 0.030 40.3-171.0 -38.6 131.6 19.2 25.5 -6.3 93 96 A K S S+ 0 0 140 3,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.459 70.9 53.9-104.7 -7.6 16.0 23.5 -6.7 94 97 A E S S- 0 0 62 1,-0.1 46,-0.1 -81,-0.0 3,-0.1 -0.834 90.4-111.8-123.1 163.3 13.8 26.6 -6.7 95 98 A E S S+ 0 0 74 -2,-0.3 45,-3.0 1,-0.2 46,-0.5 0.805 103.5 33.0 -65.4 -33.1 13.8 29.8 -8.8 96 99 A N E S+ D 0 139A 31 43,-0.2 -83,-0.4 -86,-0.2 2,-0.3 -0.994 71.1 178.1-129.1 130.9 14.8 32.1 -6.0 97 100 A V E - D 0 138A 0 41,-2.5 41,-2.7 -2,-0.4 2,-0.3 -0.940 27.8-115.6-131.6 153.5 17.1 31.1 -3.1 98 101 A F E -bD 14 137A 0 -85,-2.6 -83,-2.5 -2,-0.3 2,-0.4 -0.635 23.0-158.3 -87.7 146.8 18.5 33.0 -0.1 99 102 A V E +bD 15 136A 0 37,-3.0 37,-2.1 -2,-0.3 2,-0.4 -0.994 12.4 178.2-126.2 130.5 22.2 33.5 0.3 100 103 A L E -bD 16 135A 0 -85,-2.6 -83,-1.9 -2,-0.4 35,-0.2 -0.974 26.6-128.3-140.0 120.5 23.8 34.1 3.7 101 104 A S E > -b 17 0A 15 33,-1.6 3,-0.6 -2,-0.4 -83,-0.1 -0.393 16.1-137.3 -64.8 141.1 27.5 34.6 4.5 102 105 A G T 3 S+ 0 0 7 -85,-2.3 -59,-0.2 1,-0.2 -1,-0.1 0.344 91.3 72.2 -84.0 9.9 28.6 32.3 7.3 103 106 A D T 3 + 0 0 73 -86,-0.1 79,-0.5 -63,-0.1 -1,-0.2 -0.014 61.5 111.5-113.8 30.6 30.7 35.1 9.0 104 107 A L X - 0 0 6 -3,-0.6 3,-1.4 1,-0.1 77,-0.2 -0.788 40.8-177.0-108.5 90.5 27.9 37.3 10.4 105 108 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 76,-0.1 0.634 81.0 42.7 -59.3 -21.1 28.1 36.9 14.3 106 109 A L T 3 S+ 0 0 69 74,-0.6 73,-0.1 72,-0.3 75,-0.1 0.304 77.9 140.6-113.1 9.8 25.1 39.1 15.0 107 110 A M < - 0 0 14 -3,-1.4 2,-0.3 73,-0.2 72,-0.1 -0.195 29.8-168.0 -56.0 140.2 22.6 38.0 12.3 108 111 A K >> - 0 0 93 67,-0.1 4,-1.2 1,-0.1 3,-1.1 -0.954 32.3-118.4-130.2 150.6 19.0 37.7 13.4 109 112 A K H 3> S+ 0 0 68 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.848 110.5 64.9 -57.2 -36.3 16.0 36.1 11.7 110 113 A E H 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.845 99.6 52.8 -57.6 -33.6 14.2 39.5 11.6 111 114 A T H <> S+ 0 0 0 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.926 110.9 46.2 -67.9 -42.8 16.9 40.7 9.2 112 115 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.931 113.2 49.9 -63.8 -44.8 16.5 37.8 6.9 113 116 A L H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.854 106.8 54.2 -64.1 -36.0 12.7 38.1 7.1 114 117 A Y H X S+ 0 0 80 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.903 109.8 48.2 -66.0 -38.4 12.8 41.8 6.2 115 118 A V H < S+ 0 0 0 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.940 111.2 50.3 -66.3 -44.4 14.8 41.0 3.1 116 119 A L H >< S+ 0 0 13 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.898 108.4 52.5 -58.9 -42.8 12.4 38.3 2.1 117 120 A E H 3< S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 115.3 41.8 -62.2 -34.2 9.4 40.7 2.5 118 121 A N T 3< S+ 0 0 58 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.191 84.3 141.1-100.0 16.5 11.1 43.2 0.3 119 122 A F < + 0 0 45 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.1 -0.336 20.4 170.7 -65.5 137.7 12.4 40.8 -2.4 120 123 A K - 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