==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-SEP-08 3EKZ . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.PEGAN,K.RUKSEREE,S.G.FRANZBLAU,A.D.MESECAR . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 72.8 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 3.9 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 . 134 40.1 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 1 0 1 0 1 0 4 0 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 . 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 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,-2.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 164.9 -8.0 48.0 38.2 2 3 A I B -a 89 0A 28 77,-0.2 2,-0.4 86,-0.2 88,-0.2 -0.547 360.0-101.5 -60.7 136.9 -4.3 47.9 38.3 3 4 A A - 0 0 1 86,-2.5 88,-0.2 -2,-0.2 -1,-0.1 -0.529 31.4-139.3 -63.8 122.7 -3.3 44.3 39.3 4 5 A T > - 0 0 51 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.399 31.1-104.8 -68.0 160.0 -2.4 44.0 42.9 5 6 A P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.896 123.1 52.4 -53.3 -40.7 0.7 41.8 43.5 6 7 A E H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.909 111.5 44.2 -65.4 -44.4 -1.6 39.0 44.8 7 8 A V H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 112.4 52.9 -71.5 -30.7 -4.0 39.2 41.8 8 9 A Y H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 110.2 47.5 -65.9 -43.4 -1.0 39.3 39.3 9 10 A A H X S+ 0 0 48 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.900 113.5 48.9 -61.6 -40.1 0.5 36.1 41.0 10 11 A E H X S+ 0 0 103 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.897 109.1 53.6 -65.0 -41.9 -3.0 34.5 40.7 11 12 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.948 112.8 42.0 -54.0 -54.1 -3.2 35.6 37.0 12 13 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.865 114.5 51.7 -67.0 -40.9 0.1 33.9 36.2 13 14 A G H X S+ 0 0 38 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.880 112.8 45.7 -59.4 -44.8 -0.7 30.8 38.3 14 15 A Q H X S+ 0 0 50 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.901 111.9 50.9 -64.8 -46.1 -4.1 30.4 36.6 15 16 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 4,-0.3 0.946 113.8 45.1 -55.3 -50.6 -2.6 30.9 33.1 16 17 A K H ><5S+ 0 0 33 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.905 111.8 50.8 -61.1 -46.4 0.0 28.3 33.8 17 18 A Q H 3<5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.821 119.8 37.5 -61.9 -31.9 -2.4 25.8 35.3 18 19 A N T 3<5S- 0 0 87 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.216 110.6-116.2-108.7 11.9 -4.7 26.1 32.3 19 20 A S T < 5S+ 0 0 51 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.862 74.2 119.1 52.7 43.2 -2.0 26.4 29.5 20 21 A Y < - 0 0 10 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.766 44.8-153.1-122.5 177.3 -3.0 30.0 28.5 21 22 A A - 0 0 0 303,-2.0 240,-0.3 -2,-0.2 305,-0.2 -0.945 12.4-119.7-145.6 165.8 -1.0 33.2 28.5 22 23 A F E -b 261 0A 2 238,-2.2 240,-2.5 -2,-0.3 2,-0.3 -0.858 27.5-119.0-110.1 143.3 -1.3 37.0 28.7 23 24 A P E -b 262 0A 0 0, 0.0 25,-2.0 0, 0.0 2,-0.6 -0.588 18.1-154.5 -74.0 140.0 -0.3 39.5 26.0 24 25 A A E -bc 263 48A 0 238,-2.5 240,-2.5 -2,-0.3 2,-0.5 -0.960 16.9-160.2-115.9 106.4 2.3 42.0 27.2 25 26 A I E -bc 264 49A 0 23,-2.6 25,-2.4 -2,-0.6 2,-0.4 -0.788 13.0-133.0 -97.2 122.0 1.8 45.0 25.0 26 27 A N E - c 0 50A 12 238,-1.8 2,-0.3 -2,-0.5 25,-0.2 -0.579 31.0-175.7 -70.8 126.6 4.6 47.6 24.7 27 28 A C + 0 0 1 23,-2.4 25,-0.3 -2,-0.4 3,-0.1 -0.851 23.8 179.3-124.4 161.5 3.2 51.1 25.1 28 29 A T + 0 0 44 -2,-0.3 2,-0.3 1,-0.2 3,-0.1 0.265 64.6 17.6-140.5 1.5 4.8 54.6 24.7 29 30 A S S > S- 0 0 19 1,-0.1 4,-2.3 45,-0.1 5,-0.2 -0.967 84.2 -86.0-168.4 169.2 2.0 57.1 25.4 30 31 A S H > S+ 0 0 46 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.915 123.8 50.9 -58.9 -43.0 -1.4 57.9 26.8 31 32 A E H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 112.0 44.2 -65.4 -44.6 -3.0 56.8 23.5 32 33 A T H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.897 113.7 50.8 -71.1 -39.3 -1.2 53.4 23.3 33 34 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.950 112.3 47.6 -57.5 -49.2 -1.8 52.7 27.0 34 35 A N H X S+ 0 0 38 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.888 112.3 49.7 -58.1 -42.8 -5.5 53.5 26.4 35 36 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.909 111.4 48.8 -63.6 -45.0 -5.6 51.3 23.3 36 37 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.941 113.1 45.4 -61.6 -49.0 -4.0 48.3 25.1 37 38 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.916 112.0 51.6 -64.9 -41.3 -6.3 48.4 28.1 38 39 A K H X S+ 0 0 91 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.890 108.7 53.3 -61.2 -38.0 -9.5 48.8 25.9 39 40 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 109.5 47.0 -60.9 -48.7 -8.2 45.8 24.0 40 41 A F H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.3 0.956 115.1 46.6 -55.7 -50.9 -8.0 43.7 27.2 41 42 A A H ><5S+ 0 0 27 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.880 109.6 53.0 -59.7 -45.3 -11.4 44.9 28.3 42 43 A D H 3<5S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 111.4 47.4 -59.3 -34.2 -13.0 44.2 24.9 43 44 A A T 3<5S- 0 0 12 -4,-1.7 285,-2.6 -3,-0.3 -1,-0.3 0.349 111.3-121.6 -85.5 3.4 -11.6 40.6 25.1 44 45 A G T < 5S+ 0 0 24 -3,-1.5 286,-2.3 283,-0.2 2,-0.3 0.875 72.5 132.9 57.1 38.4 -12.9 40.2 28.7 45 46 A S < - 0 0 0 -5,-2.7 -1,-0.2 284,-0.2 2,-0.1 -0.873 61.2-127.9-126.9 146.0 -9.2 39.5 29.5 46 47 A D + 0 0 1 280,-0.3 2,-0.3 -2,-0.3 43,-0.2 -0.471 41.8 173.1 -77.7 165.7 -6.6 40.6 32.0 47 48 A G E - d 0 89A 0 41,-2.1 43,-2.6 -2,-0.1 2,-0.4 -0.985 29.9-111.1-167.5 174.9 -3.3 41.8 30.5 48 49 A I E -cd 24 90A 0 -25,-2.0 -23,-2.6 -2,-0.3 2,-0.5 -0.964 14.0-160.6-124.5 133.8 0.1 43.4 30.9 49 50 A I E -cd 25 91A 0 41,-3.3 43,-2.4 -2,-0.4 2,-0.4 -0.948 19.7-171.3-109.4 129.6 1.3 46.8 29.8 50 51 A Q E -cd 26 92A 0 -25,-2.4 -23,-2.4 -2,-0.5 2,-0.5 -0.946 16.7-152.6-126.5 149.5 5.1 47.2 29.4 51 52 A F E - d 0 93A 0 41,-1.8 43,-2.1 -2,-0.4 -23,-0.1 -0.979 12.3-151.9-117.6 122.6 7.5 50.0 28.8 52 53 A S > - 0 0 31 -2,-0.5 4,-2.6 -25,-0.3 5,-0.2 -0.317 36.1-102.0 -74.9 167.8 10.9 49.4 27.2 53 54 A T H > S+ 0 0 23 42,-0.5 4,-2.4 2,-0.2 5,-0.1 0.899 126.4 44.8 -57.0 -42.3 13.8 51.7 28.0 54 55 A G H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.828 112.1 52.0 -73.1 -35.4 13.3 53.6 24.6 55 56 A G H > S+ 0 0 3 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.887 111.6 46.7 -64.9 -41.6 9.5 53.7 25.2 56 57 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 10,-0.3 0.928 112.4 49.7 -66.1 -46.5 10.1 55.2 28.7 57 58 A E H < S+ 0 0 86 -4,-2.4 3,-0.4 -5,-0.2 4,-0.4 0.925 112.8 47.0 -57.8 -43.8 12.6 57.7 27.3 58 59 A F H >< S+ 0 0 138 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.914 108.2 57.4 -60.9 -43.8 10.1 58.7 24.6 59 60 A G H 3< S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.765 100.6 57.2 -55.8 -29.0 7.4 58.9 27.3 60 61 A S T 3< S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.563 113.8-117.3 -83.8 -10.4 9.5 61.5 29.2 61 62 A G X> - 0 0 31 -3,-1.6 4,-2.5 -4,-0.4 3,-1.7 0.157 25.1 -80.5 90.1 155.6 9.6 63.9 26.1 62 63 A L T 34 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.696 128.0 57.7 -63.9 -22.0 12.5 65.2 24.0 63 64 A G T 34 S+ 0 0 84 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.538 121.2 23.7 -86.6 -7.0 13.3 67.8 26.6 64 65 A V T <4 - 0 0 84 -3,-1.7 -2,-0.2 -7,-0.2 -3,-0.1 0.726 68.6-179.4-108.3 -48.4 13.8 65.2 29.4 65 66 A K < + 0 0 115 -4,-2.5 2,-0.5 -8,-0.3 -8,-0.2 0.878 30.4 144.3 -6.4 86.4 14.7 61.9 27.9 66 67 A D > - 0 0 66 -9,-0.3 4,-2.4 -10,-0.3 5,-0.2 -0.992 45.7-148.6-130.6 122.2 15.0 60.2 31.2 67 68 A M H > S+ 0 0 24 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.897 96.9 47.0 -56.0 -50.9 13.9 56.5 31.5 68 69 A V H > S+ 0 0 28 35,-0.5 4,-3.0 1,-0.2 5,-0.3 0.944 112.6 50.5 -60.8 -47.0 12.7 56.7 35.2 69 70 A T H > S+ 0 0 66 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.926 113.3 45.0 -55.7 -51.1 10.7 59.9 34.6 70 71 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.914 114.9 47.8 -61.0 -45.5 8.9 58.4 31.5 71 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.926 115.5 44.7 -62.2 -45.8 8.2 55.1 33.2 72 73 A V H X S+ 0 0 35 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.943 114.2 48.9 -62.3 -47.6 6.8 56.9 36.3 73 74 A A H X S+ 0 0 53 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.922 116.0 42.6 -60.5 -47.6 4.8 59.4 34.4 74 75 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.862 113.4 53.2 -66.9 -36.3 3.2 56.7 32.1 75 76 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.900 109.8 47.7 -65.8 -42.0 2.7 54.4 35.2 76 77 A E H X S+ 0 0 87 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.912 111.6 50.7 -66.2 -40.8 0.8 57.2 37.1 77 78 A F H X S+ 0 0 62 -4,-2.1 4,-2.2 -5,-0.2 3,-0.2 0.942 111.6 48.7 -53.6 -49.2 -1.3 57.9 34.0 78 79 A T H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.848 104.1 58.9 -67.4 -35.0 -2.1 54.1 33.7 79 80 A H H X S+ 0 0 42 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.910 109.0 44.8 -59.2 -43.2 -3.0 53.8 37.4 80 81 A V H < S+ 0 0 107 -4,-1.5 4,-0.3 -3,-0.2 -2,-0.2 0.933 117.7 44.6 -66.1 -46.4 -5.8 56.4 36.9 81 82 A I H >< S+ 0 0 41 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.926 108.6 54.2 -63.7 -46.2 -7.0 54.9 33.7 82 83 A A H >< S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.3 5,-0.3 0.782 94.4 69.6 -69.7 -26.3 -7.0 51.2 34.8 83 84 A A T 3< S+ 0 0 70 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.690 95.6 57.5 -57.8 -21.2 -9.2 52.0 37.8 84 85 A K T < S+ 0 0 181 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.400 95.5 78.0 -94.6 1.4 -12.1 52.6 35.4 85 86 A Y S < S- 0 0 56 -3,-1.9 4,-0.1 2,-0.2 -47,-0.0 -0.880 73.8-136.8-112.5 145.9 -11.9 49.1 33.7 86 87 A P S S+ 0 0 53 0, 0.0 248,-0.3 0, 0.0 2,-0.3 -0.118 81.3 78.8 -90.1 34.2 -13.3 45.8 35.1 87 88 A V S S- 0 0 5 -5,-0.3 2,-0.5 244,-0.1 -2,-0.2 -0.915 86.0-106.1-128.7 164.4 -10.2 43.8 34.1 88 89 A N - 0 0 12 -2,-0.3 -41,-2.1 -48,-0.1 2,-0.5 -0.781 31.3-165.7 -94.3 129.5 -6.8 43.5 35.9 89 90 A V E -ad 2 47A 0 -88,-2.3 -86,-2.5 -2,-0.5 2,-0.3 -0.962 2.6-158.4-120.8 124.3 -3.9 45.3 34.3 90 91 A A E - d 0 48A 0 -43,-2.6 -41,-3.3 -2,-0.5 2,-0.4 -0.766 9.8-140.8 -98.3 142.8 -0.3 44.7 35.3 91 92 A L E + d 0 49A 0 -2,-0.3 34,-2.4 -88,-0.2 35,-1.5 -0.894 27.1 171.6-104.0 135.0 2.6 47.2 34.7 92 93 A H E -ed 126 50A 0 -43,-2.4 -41,-1.8 -2,-0.4 2,-0.4 -0.934 28.4-134.8-138.0 151.1 6.0 45.8 33.6 93 94 A T E -ed 127 51A 0 33,-0.9 35,-1.3 -2,-0.3 -41,-0.2 -0.951 27.3-140.1-108.6 139.5 9.3 47.2 32.4 94 95 A D - 0 0 11 -43,-2.1 34,-0.2 -2,-0.4 36,-0.1 -0.221 54.8 -13.7 -90.5-179.3 10.9 45.5 29.4 95 96 A H + 0 0 39 34,-0.1 -42,-0.5 1,-0.1 -1,-0.2 0.340 57.7 178.3 -18.5 112.5 14.6 44.5 28.6 96 97 A C - 0 0 0 32,-0.2 34,-2.1 -3,-0.2 -1,-0.1 -0.925 12.8-155.8-125.5 109.7 17.1 46.2 30.9 97 98 A P >> - 0 0 45 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.161 36.2 -90.3 -76.8 175.8 20.8 45.4 30.3 98 99 A K G >4 S+ 0 0 103 32,-0.3 3,-1.0 1,-0.3 4,-0.4 0.830 122.1 52.9 -56.8 -43.6 23.5 45.6 32.9 99 100 A D G 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.480 111.1 47.4 -79.7 -0.2 24.6 49.2 32.2 100 101 A K G X> S+ 0 0 80 -3,-1.6 3,-0.6 2,-0.1 4,-0.5 0.387 83.6 92.0-113.6 -1.8 21.0 50.6 32.5 101 102 A L G X<>S+ 0 0 0 -3,-1.0 5,-2.5 -4,-0.5 3,-0.8 0.904 87.2 51.0 -56.2 -43.2 20.1 48.8 35.8 102 103 A D G 345S+ 0 0 118 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.699 117.6 38.7 -69.9 -19.8 21.3 51.8 37.8 103 104 A S G <45S+ 0 0 49 -3,-0.6 -35,-0.5 3,-0.1 -1,-0.2 0.253 131.7 13.3-116.7 11.5 19.2 54.2 35.7 104 105 A Y T 5S+ 0 0 0 -5,-0.4 4,-2.6 1,-0.2 5,-0.2 0.900 118.7 50.0 -60.8 -48.1 15.2 49.0 37.1 106 107 A R H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.867 114.6 49.8 -60.0 -37.9 15.5 53.3 40.9 108 109 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 15,-0.3 0.879 110.6 50.5 -67.5 -39.1 12.0 52.0 40.0 109 110 A L H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.904 108.7 51.3 -60.0 -45.0 12.5 49.2 42.5 110 111 A A H X S+ 0 0 62 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.873 107.5 53.5 -62.5 -37.1 13.5 51.7 45.2 111 112 A I H X S+ 0 0 57 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.930 112.5 44.1 -61.3 -46.1 10.3 53.7 44.4 112 113 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.867 108.9 56.7 -66.3 -37.5 8.2 50.6 44.9 113 114 A A H X S+ 0 0 47 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.881 107.7 48.8 -61.3 -39.1 10.1 49.5 48.0 114 115 A Q H X S+ 0 0 104 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.920 109.5 51.3 -69.3 -39.8 9.2 52.9 49.6 115 116 A R H ><>S+ 0 0 64 -4,-1.8 5,-2.6 2,-0.2 3,-0.5 0.921 112.9 47.1 -57.5 -42.5 5.5 52.6 48.7 116 117 A V H ><5S+ 0 0 32 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.953 104.4 59.8 -67.2 -56.8 5.6 49.1 50.3 117 118 A S H 3<5S+ 0 0 82 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.657 105.5 49.8 23.2 -69.2 7.3 50.5 53.3 118 119 A K T <<5S- 0 0 166 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.307 127.8 -96.7 -95.8 9.1 4.3 52.8 53.8 119 120 A G T < 5S+ 0 0 73 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.556 88.5 115.0 90.3 10.6 1.7 49.9 53.4 120 121 A G < - 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