==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-SEP-08 3ELF . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.PEGAN,K.RUKSEREE,S.G.FRANZBLAU,A.D.MESECAR . 332 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.0 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 . 1 0.3 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 0 1 1 0 1 0 3 1 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 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 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 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 P 0 0 55 0, 0.0 88,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.7 -7.9 47.5 38.0 2 3 A I B -a 89 0A 27 77,-0.2 2,-0.3 86,-0.2 88,-0.2 -0.545 360.0-102.0 -61.4 137.5 -4.2 47.4 38.1 3 4 A A - 0 0 2 86,-2.5 88,-0.2 -2,-0.2 -1,-0.1 -0.517 32.1-138.5 -62.9 123.8 -3.2 43.8 39.1 4 5 A T > - 0 0 49 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.420 30.9-104.2 -69.0 161.6 -2.2 43.6 42.7 5 6 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.897 125.5 48.8 -55.7 -37.6 0.9 41.4 43.3 6 7 A E H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.921 111.1 47.0 -65.8 -51.1 -1.4 38.7 44.6 7 8 A V H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 114.6 50.9 -63.4 -23.4 -3.9 39.0 41.6 8 9 A Y H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.928 109.9 47.5 -73.7 -43.7 -0.7 38.9 39.2 9 10 A A H X S+ 0 0 34 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.913 113.6 48.6 -60.2 -41.2 0.7 35.8 40.8 10 11 A E H X S+ 0 0 104 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.912 108.6 54.5 -65.7 -42.4 -2.7 34.2 40.5 11 12 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.945 111.8 42.7 -52.0 -53.6 -2.9 35.2 36.9 12 13 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.860 114.3 51.3 -68.1 -35.2 0.4 33.5 36.0 13 14 A G H X S+ 0 0 34 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.904 112.0 46.5 -65.3 -43.3 -0.5 30.4 38.1 14 15 A Q H X S+ 0 0 49 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.893 111.2 52.3 -66.5 -41.1 -3.8 30.0 36.4 15 16 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 4,-0.5 0.952 112.9 44.0 -58.5 -50.4 -2.3 30.5 33.0 16 17 A K H ><5S+ 0 0 39 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.921 112.9 51.3 -61.0 -47.5 0.3 27.8 33.6 17 18 A Q H 3<5S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.820 119.4 36.4 -59.3 -33.6 -2.2 25.4 35.1 18 19 A N T 3<5S- 0 0 88 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.240 110.9-115.1-109.1 8.7 -4.5 25.8 32.2 19 20 A S T < 5S+ 0 0 52 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.877 74.7 117.5 56.8 43.7 -2.0 26.0 29.4 20 21 A Y < - 0 0 7 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.789 45.0-153.4-125.2 177.0 -2.8 29.6 28.3 21 22 A A - 0 0 0 301,-2.0 238,-0.3 -2,-0.3 303,-0.2 -0.945 12.9-119.1-145.6 163.9 -0.8 32.8 28.3 22 23 A F E -b 259 0A 2 236,-2.4 238,-2.5 -2,-0.3 2,-0.2 -0.836 27.3-117.5-105.1 146.1 -1.2 36.6 28.5 23 24 A P E -b 260 0A 0 0, 0.0 25,-2.1 0, 0.0 2,-0.6 -0.580 18.2-155.5 -73.9 141.5 -0.2 39.1 25.9 24 25 A A E -bc 261 48A 0 236,-2.3 238,-2.6 -2,-0.2 2,-0.6 -0.963 17.1-160.8-116.5 106.1 2.5 41.6 27.1 25 26 A I E -bc 262 49A 0 23,-2.7 25,-2.3 -2,-0.6 2,-0.3 -0.795 13.5-132.1 -97.1 119.7 1.9 44.6 24.8 26 27 A N E - c 0 50A 11 236,-1.6 2,-0.3 -2,-0.6 25,-0.2 -0.554 31.3-174.8 -67.3 130.2 4.7 47.2 24.4 27 28 A C + 0 0 2 23,-2.5 25,-0.4 -2,-0.3 3,-0.1 -0.874 24.3 178.2-128.1 160.3 3.3 50.6 24.9 28 29 A T + 0 0 44 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.301 64.6 15.7-140.8 0.8 4.9 54.1 24.5 29 30 A S S > S- 0 0 19 1,-0.1 4,-2.4 45,-0.1 -1,-0.2 -0.972 84.0 -84.9-168.8 169.5 2.1 56.6 25.2 30 31 A S H > S+ 0 0 47 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.904 124.0 51.0 -58.1 -43.3 -1.3 57.4 26.6 31 32 A E H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.5 45.5 -65.3 -42.0 -2.9 56.3 23.3 32 33 A T H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 113.1 50.0 -72.1 -38.3 -1.1 52.9 23.1 33 34 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.953 112.4 48.4 -58.2 -49.0 -1.8 52.2 26.8 34 35 A N H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 111.6 50.0 -59.5 -41.7 -5.5 53.0 26.2 35 36 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.908 111.5 48.1 -63.3 -44.0 -5.5 50.8 23.1 36 37 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.943 113.2 45.8 -64.2 -47.7 -4.0 47.8 24.9 37 38 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.920 111.6 51.7 -65.5 -41.8 -6.3 47.9 28.0 38 39 A K H X S+ 0 0 78 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.887 108.8 52.9 -60.2 -36.9 -9.4 48.3 25.8 39 40 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.946 109.5 47.4 -62.7 -47.4 -8.2 45.3 23.8 40 41 A F H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 4,-0.3 0.943 114.7 47.1 -56.6 -48.2 -7.8 43.2 27.0 41 42 A A H ><5S+ 0 0 26 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.905 109.0 52.7 -63.9 -41.6 -11.3 44.4 28.2 42 43 A D H 3<5S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 112.3 47.0 -63.6 -29.6 -12.9 43.7 24.8 43 44 A A T 3<5S- 0 0 12 -4,-1.7 283,-2.4 -3,-0.3 -1,-0.3 0.397 111.2-121.9 -88.0 -0.6 -11.5 40.1 25.0 44 45 A G T < 5S+ 0 0 30 -3,-1.5 284,-2.4 -4,-0.3 2,-0.3 0.878 71.4 133.0 58.7 40.2 -12.7 39.7 28.6 45 46 A S < - 0 0 0 -5,-2.8 -1,-0.2 282,-0.2 -2,-0.1 -0.877 61.0-126.7-126.0 147.2 -9.0 39.1 29.4 46 47 A D + 0 0 0 -2,-0.3 2,-0.3 278,-0.3 43,-0.2 -0.441 42.0 175.1 -75.3 166.3 -6.3 40.1 31.9 47 48 A G E - d 0 89A 0 41,-2.1 43,-2.6 -2,-0.1 2,-0.4 -0.986 29.2-113.5-167.3 173.1 -3.2 41.4 30.3 48 49 A I E -cd 24 90A 0 -25,-2.1 -23,-2.7 -2,-0.3 2,-0.5 -0.968 14.0-160.2-123.8 132.5 0.3 43.0 30.7 49 50 A I E -cd 25 91A 0 41,-3.0 43,-2.4 -2,-0.4 2,-0.4 -0.962 19.9-169.9-109.2 128.0 1.4 46.4 29.5 50 51 A Q E -cd 26 92A 0 -25,-2.3 -23,-2.5 -2,-0.5 2,-0.5 -0.915 16.4-154.5-124.9 147.2 5.2 46.8 29.2 51 52 A F E - d 0 93A 0 41,-1.9 43,-2.2 -2,-0.4 -23,-0.1 -0.974 11.9-151.8-118.5 121.9 7.6 49.6 28.6 52 53 A S > - 0 0 30 -2,-0.5 4,-2.8 -25,-0.4 5,-0.2 -0.318 36.5-101.8 -74.8 169.5 11.0 49.1 27.0 53 54 A T H > S+ 0 0 22 42,-0.5 4,-2.4 1,-0.2 5,-0.1 0.924 127.5 44.5 -58.0 -43.8 14.0 51.4 27.9 54 55 A G H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.849 111.7 52.4 -69.1 -36.4 13.3 53.2 24.5 55 56 A G H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 111.3 47.1 -64.2 -43.6 9.6 53.3 25.1 56 57 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 10,-0.2 0.920 111.6 50.2 -62.1 -46.7 10.2 54.8 28.6 57 58 A E H >X S+ 0 0 84 -4,-2.4 3,-0.5 1,-0.2 4,-0.5 0.938 112.5 47.8 -56.5 -47.0 12.7 57.4 27.1 58 59 A F H >< S+ 0 0 134 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.912 108.2 55.0 -60.0 -44.5 10.1 58.3 24.4 59 60 A G H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.758 101.9 58.2 -60.9 -26.2 7.4 58.6 27.1 60 61 A S H << S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.608 113.4-119.9 -78.9 -12.9 9.5 61.1 29.0 61 62 A G XX - 0 0 31 -3,-1.5 4,-2.5 -4,-0.5 3,-1.8 0.150 23.5 -80.7 88.8 156.6 9.6 63.4 25.9 62 63 A L T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.1 0.731 127.0 60.4 -63.4 -22.7 12.5 64.8 23.8 63 64 A G T 34 S+ 0 0 82 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.516 119.8 22.8 -83.3 -6.0 13.1 67.4 26.5 64 65 A V T <4 - 0 0 81 -3,-1.8 -2,-0.2 -7,-0.2 -3,-0.2 0.676 68.6-173.4-124.0 -54.2 13.8 64.8 29.2 65 66 A K < + 0 0 120 -4,-2.5 2,-0.5 -8,-0.4 -8,-0.1 0.922 35.6 143.3 49.0 52.3 15.0 61.5 27.6 66 67 A D > - 0 0 64 -9,-0.3 4,-2.3 -10,-0.2 5,-0.2 -0.981 44.8-153.8-126.3 120.4 15.0 59.8 31.0 67 68 A M H > S+ 0 0 24 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.895 95.1 48.6 -60.0 -47.0 13.8 56.2 31.3 68 69 A V H > S+ 0 0 25 35,-0.5 4,-2.8 1,-0.2 5,-0.3 0.949 112.1 49.4 -61.3 -46.7 12.7 56.3 35.0 69 70 A T H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 113.6 45.9 -57.3 -47.0 10.7 59.5 34.4 70 71 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.913 113.9 47.8 -66.0 -42.7 8.9 58.1 31.3 71 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.920 115.2 45.4 -65.1 -43.1 8.2 54.7 33.0 72 73 A V H X S+ 0 0 35 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.935 113.7 49.1 -65.3 -45.0 6.8 56.4 36.2 73 74 A A H X S+ 0 0 54 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.930 115.4 43.2 -62.0 -46.6 4.8 59.0 34.2 74 75 A L H X S+ 0 0 15 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.872 113.5 52.5 -68.6 -35.5 3.2 56.3 32.0 75 76 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.907 108.9 49.5 -65.1 -41.8 2.7 54.0 35.0 76 77 A E H X S+ 0 0 88 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.923 111.5 49.1 -63.9 -42.2 0.9 56.7 36.9 77 78 A F H X S+ 0 0 62 -4,-2.1 4,-2.1 -5,-0.2 3,-0.4 0.945 111.5 50.0 -55.1 -50.0 -1.3 57.4 33.8 78 79 A T H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.850 103.6 58.8 -63.2 -36.6 -2.0 53.7 33.6 79 80 A H H X S+ 0 0 40 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.901 108.7 45.4 -59.3 -40.2 -3.0 53.4 37.3 80 81 A V H < S+ 0 0 106 -4,-1.5 4,-0.3 -3,-0.4 3,-0.2 0.940 117.4 43.4 -69.4 -46.7 -5.8 55.9 36.8 81 82 A I H >< S+ 0 0 41 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.932 108.8 55.5 -64.1 -47.8 -7.0 54.4 33.5 82 83 A A H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.779 94.3 69.0 -63.9 -25.8 -6.9 50.7 34.6 83 84 A A T 3< S+ 0 0 69 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.713 95.6 57.4 -62.0 -19.9 -9.1 51.4 37.7 84 85 A K T < S+ 0 0 184 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.370 95.6 75.7 -95.6 4.1 -12.0 52.1 35.2 85 86 A Y S < S- 0 0 50 -3,-1.7 4,-0.1 2,-0.2 -47,-0.0 -0.920 74.5-137.0-117.5 142.9 -11.8 48.6 33.6 86 87 A P S S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.731 80.3 81.4 -70.5 -16.5 -13.1 45.4 35.1 87 88 A V S S- 0 0 5 -50,-0.1 2,-0.5 -42,-0.1 -2,-0.2 -0.330 85.9-104.6 -89.8 164.1 -10.0 43.3 34.0 88 89 A N - 0 0 10 -2,-0.1 -41,-2.1 -48,-0.1 2,-0.5 -0.792 31.3-166.7 -94.9 130.5 -6.6 43.1 35.7 89 90 A V E -ad 2 47A 0 -88,-2.2 -86,-2.5 -2,-0.5 2,-0.4 -0.969 2.7-160.9-121.1 116.4 -3.8 45.0 34.1 90 91 A A E - d 0 48A 0 -43,-2.6 -41,-3.0 -2,-0.5 2,-0.4 -0.797 11.0-139.4 -97.7 143.1 -0.2 44.3 35.2 91 92 A L E + d 0 49A 0 -2,-0.4 34,-2.6 -88,-0.2 35,-1.6 -0.870 26.9 172.6-104.3 134.3 2.7 46.8 34.5 92 93 A H E -ed 126 50A 0 -43,-2.4 -41,-1.9 -2,-0.4 2,-0.4 -0.942 27.1-135.6-138.9 149.4 6.1 45.5 33.4 93 94 A T E -ed 127 51A 0 33,-1.0 35,-1.5 -2,-0.3 -41,-0.2 -0.945 26.5-142.2-108.7 140.4 9.4 46.8 32.2 94 95 A D - 0 0 10 -43,-2.2 34,-0.2 -2,-0.4 36,-0.1 -0.168 55.0 -9.3 -93.2-177.3 11.1 45.2 29.2 95 96 A H + 0 0 37 34,-0.1 -42,-0.5 1,-0.1 -1,-0.2 0.335 58.5 176.1 -18.9 110.1 14.8 44.4 28.4 96 97 A C - 0 0 0 32,-0.2 34,-2.3 -3,-0.1 -1,-0.1 -0.931 13.1-158.6-124.0 108.5 17.2 46.0 30.8 97 98 A P >> - 0 0 44 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.210 36.4 -90.0 -78.9 174.4 20.9 45.2 30.2 98 99 A K G >4 S+ 0 0 109 32,-0.3 3,-0.9 1,-0.3 4,-0.4 0.855 123.2 52.7 -53.4 -43.7 23.7 45.4 32.8 99 100 A D G 34 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.526 111.4 47.3 -77.4 -3.7 24.7 49.0 32.0 100 101 A K G X> S+ 0 0 76 -3,-1.8 3,-1.1 2,-0.1 4,-0.7 0.453 83.2 91.9-111.4 -4.3 21.1 50.3 32.4 101 102 A L G X<>S+ 0 0 5 -3,-0.9 5,-2.5 -4,-0.8 3,-0.9 0.911 86.9 51.2 -55.6 -43.2 20.2 48.6 35.7 102 103 A D G 345S+ 0 0 130 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.669 117.8 38.6 -70.6 -16.4 21.3 51.6 37.7 103 104 A S G <45S+ 0 0 50 -3,-1.1 -35,-0.5 3,-0.1 -1,-0.2 0.273 131.7 14.0-119.3 10.4 19.2 54.0 35.6 104 105 A Y T 5S+ 0 0 0 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.901 118.9 50.3 -63.3 -46.0 15.3 48.7 37.0 106 107 A R H > S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.881 115.0 50.1 -59.2 -35.7 15.6 53.0 40.7 108 109 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 15,-0.2 0.905 109.0 51.3 -67.2 -40.9 12.1 51.7 39.8 109 110 A L H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.907 108.9 52.5 -57.7 -42.2 12.6 48.8 42.3 110 111 A A H X S+ 0 0 60 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.878 106.2 52.5 -64.3 -39.1 13.5 51.5 45.0 111 112 A I H X S+ 0 0 60 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.933 113.3 44.3 -59.8 -46.0 10.3 53.5 44.2 112 113 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.871 108.8 56.1 -68.7 -37.8 8.2 50.3 44.7 113 114 A A H X S+ 0 0 48 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.887 107.3 50.7 -59.8 -38.5 10.1 49.3 47.9 114 115 A Q H X S+ 0 0 109 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.904 110.4 49.1 -65.7 -40.3 9.2 52.7 49.3 115 116 A R H ><>S+ 0 0 68 -4,-1.7 5,-2.3 1,-0.2 3,-0.7 0.922 112.1 47.7 -63.0 -45.2 5.5 52.2 48.5 116 117 A V H ><5S+ 0 0 35 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.879 104.6 60.2 -66.5 -37.4 5.5 48.8 50.0 117 118 A S H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 104.8 51.2 -60.9 -25.6 7.3 50.1 53.2 118 119 A K T <<5S- 0 0 157 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.274 129.4 -95.4 -94.9 7.3 4.3 52.4 53.6 119 120 A G T < 5S+ 0 0 74 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.551 89.5 113.3 93.2 9.6 1.7 49.6 53.3 120 121 A G < - 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