==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-DEC-03 1RV8 . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR T.IZARD,J.SYGUSCH . 1212 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 920 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 13.4 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 . 72 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 505 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.6 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 0 1 8 9 6 0 4 0 0 0 8 0 0 1 3 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 12 11 1 3 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 4 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 1 A M 0 0 136 0, 0.0 74,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 146.4 45.9 20.3 138.3 2 2 A L B +a 75 0A 33 72,-0.2 2,-0.3 67,-0.1 74,-0.2 -0.725 360.0 158.1 -85.7 119.3 43.5 18.2 140.4 3 3 A V - 0 0 16 72,-2.6 74,-0.3 -2,-0.6 94,-0.1 -0.822 43.3 -82.0-132.8 171.5 41.9 20.3 143.2 4 4 A T > - 0 0 37 -2,-0.3 4,-1.1 72,-0.1 94,-0.2 -0.316 38.1-115.3 -73.0 159.7 38.8 20.2 145.4 5 5 A G H > S+ 0 0 0 92,-1.2 4,-2.6 1,-0.2 5,-0.2 0.858 114.3 53.8 -62.6 -34.9 35.4 21.5 144.2 6 6 A L H > S+ 0 0 27 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.880 98.2 60.4 -69.0 -40.4 35.4 24.2 146.8 7 7 A E H > S+ 0 0 113 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.886 115.4 37.8 -54.8 -35.8 38.8 25.6 145.8 8 8 A I H X S+ 0 0 5 -4,-1.1 4,-2.0 2,-0.1 -2,-0.2 0.904 119.5 44.9 -80.8 -45.1 37.3 26.2 142.4 9 9 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.859 110.6 52.5 -70.3 -37.2 33.8 27.3 143.5 10 10 A K H X S+ 0 0 128 -4,-3.3 4,-2.2 2,-0.2 5,-0.2 0.935 112.3 46.3 -63.7 -46.3 34.9 29.7 146.3 11 11 A K H X S+ 0 0 76 -4,-0.9 4,-2.2 -5,-0.5 -2,-0.2 0.929 112.1 53.1 -61.6 -44.5 37.2 31.5 143.9 12 12 A A H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 4,-0.5 0.945 110.7 43.3 -56.8 -55.6 34.4 31.6 141.3 13 13 A R H ><5S+ 0 0 63 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.915 112.9 52.6 -60.2 -43.4 31.8 33.2 143.5 14 14 A E H 3<5S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.1 41.3 -58.2 -39.8 34.2 35.7 145.0 15 15 A E T 3<5S- 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.332 113.5-114.6 -93.0 6.8 35.2 36.8 141.5 16 16 A G T < 5S+ 0 0 49 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.796 73.4 107.7 69.8 32.6 31.7 36.7 139.9 17 17 A Y < - 0 0 4 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.2 -0.874 59.2-119.8-134.7 169.2 31.9 34.0 137.3 18 18 A G - 0 0 0 274,-3.1 2,-0.4 -2,-0.3 224,-0.2 -0.848 12.2-150.8-112.7 148.8 30.6 30.4 136.9 19 19 A V E -b 242 0A 0 222,-3.0 224,-2.0 -2,-0.3 2,-0.3 -0.957 22.7-125.1-116.1 135.0 32.4 27.2 136.4 20 20 A G E -b 243 0A 1 -2,-0.4 25,-2.3 23,-0.4 2,-0.7 -0.604 10.8-157.9 -85.2 138.8 30.8 24.4 134.5 21 21 A A E -bc 244 45A 0 222,-2.8 224,-2.1 -2,-0.3 2,-0.5 -0.939 21.6-167.5-108.3 99.6 30.3 20.9 135.9 22 22 A F E -bc 245 46A 0 23,-2.4 25,-2.6 -2,-0.7 2,-0.2 -0.833 16.0-131.3-101.0 125.8 30.0 18.7 132.7 23 23 A N E - c 0 47A 8 222,-2.0 2,-0.3 -2,-0.5 25,-0.2 -0.493 28.2-176.2 -72.3 136.8 28.7 15.2 133.0 24 24 A V + 0 0 0 23,-2.3 25,-0.3 -2,-0.2 3,-0.1 -0.967 22.0 177.7-134.3 150.0 30.9 12.6 131.2 25 25 A N + 0 0 8 -2,-0.3 2,-0.2 1,-0.1 35,-0.1 0.455 66.6 7.6-128.4 -10.1 30.4 8.9 130.7 26 26 A N S > S- 0 0 1 1,-0.1 4,-1.7 34,-0.1 5,-0.2 -0.862 88.6 -69.1-155.0-169.1 33.4 7.8 128.5 27 27 A M H > S+ 0 0 0 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 119.8 45.8 -60.5 -53.5 36.7 8.7 126.9 28 28 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.843 111.8 50.2 -66.9 -29.8 35.6 11.2 124.2 29 29 A F H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 113.7 47.4 -69.2 -42.1 33.3 13.2 126.4 30 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.899 112.6 48.9 -63.1 -42.0 36.1 13.5 129.0 31 31 A Q H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.918 111.2 50.0 -64.6 -43.6 38.5 14.5 126.3 32 32 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.930 111.7 47.9 -61.0 -46.3 36.2 17.1 124.8 33 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 115.1 43.9 -61.3 -50.4 35.5 18.6 128.3 34 34 A L H X S+ 0 0 19 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.882 113.9 48.5 -65.7 -39.5 39.2 18.8 129.2 35 35 A E H X S+ 0 0 75 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.901 110.3 52.8 -68.1 -37.4 40.5 20.1 125.9 36 36 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.959 110.2 48.7 -58.9 -48.6 37.7 22.8 125.9 37 37 A A H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 4,-0.3 0.889 112.3 47.8 -58.2 -43.2 38.9 23.8 129.4 38 38 A E H ><5S+ 0 0 65 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.921 112.2 48.8 -65.6 -43.3 42.6 23.9 128.2 39 39 A E H 3<5S+ 0 0 87 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.841 117.3 41.3 -66.5 -31.9 41.7 26.0 125.1 40 40 A Q T 3<5S- 0 0 29 -4,-2.3 256,-3.1 -5,-0.2 257,-0.4 0.411 105.2-130.7 -92.1 -0.1 39.6 28.4 127.2 41 41 A R T < 5 + 0 0 140 -3,-0.8 257,-3.0 -4,-0.3 256,-0.2 0.948 61.3 146.7 46.2 51.5 42.3 28.4 129.9 42 42 A S < - 0 0 0 -5,-2.9 -1,-0.2 255,-0.2 -2,-0.1 -0.950 55.3-116.7-126.9 139.2 39.3 27.8 132.2 43 43 A P - 0 0 2 0, 0.0 -23,-0.4 0, 0.0 2,-0.3 -0.267 41.9-178.7 -63.0 158.4 38.7 25.8 135.4 44 44 A V E - d 0 75A 0 30,-1.9 32,-1.5 -25,-0.1 2,-0.5 -0.986 26.5-132.9-157.3 161.2 36.2 23.0 135.0 45 45 A I E -cd 21 76A 0 -25,-2.3 -23,-2.4 -2,-0.3 2,-0.7 -0.987 13.1-148.0-124.8 125.6 34.4 20.2 136.9 46 46 A L E -cd 22 77A 0 30,-2.7 32,-2.9 -2,-0.5 2,-0.5 -0.835 21.6-157.3 -91.0 115.2 34.2 16.7 135.5 47 47 A A E -cd 23 78A 0 -25,-2.6 -23,-2.3 -2,-0.7 2,-0.5 -0.839 13.4-176.1-102.1 129.4 30.9 15.3 136.7 48 48 A L E - d 0 79A 0 30,-3.0 32,-2.2 -2,-0.5 -23,-0.1 -0.976 11.4-155.0-125.3 116.3 30.3 11.6 137.0 49 49 A S E > - d 0 80A 18 -2,-0.5 4,-2.0 -25,-0.3 32,-0.2 -0.232 37.7-100.6 -77.3 174.7 26.8 10.4 138.0 50 50 A E H > S+ 0 0 57 30,-0.6 4,-1.8 31,-0.3 5,-0.1 0.792 128.1 57.3 -67.9 -24.3 26.2 7.1 139.7 51 51 A G H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.912 105.5 46.6 -69.8 -43.4 25.2 6.0 136.2 52 52 A A H >>S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.8 0.853 108.6 59.4 -65.2 -32.9 28.5 7.0 134.7 53 53 A M H X5S+ 0 0 33 -4,-2.0 4,-1.3 3,-0.2 -2,-0.2 0.927 111.0 38.8 -60.5 -46.5 30.0 5.2 137.7 54 54 A K H <5S+ 0 0 188 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.887 123.1 41.1 -72.7 -39.9 28.3 1.9 136.6 55 55 A Y H <5S+ 0 0 22 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.946 126.1 31.0 -73.7 -51.0 28.9 2.5 132.9 56 56 A G H >X5S+ 0 0 0 -4,-3.1 4,-1.2 -5,-0.2 3,-0.7 0.821 87.7 170.0 -78.9 -33.3 32.4 3.8 132.9 57 57 A G H 3X< - 0 0 24 -4,-1.3 4,-2.0 -5,-0.8 3,-0.4 -0.128 63.4 -18.5 56.9-151.0 33.6 2.0 136.0 58 58 A R H 3> S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.827 135.2 60.1 -56.9 -37.5 37.3 1.9 136.9 59 59 A A H <> S+ 0 0 3 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.921 108.3 43.1 -60.0 -46.2 38.3 3.0 133.4 60 60 A L H X S+ 0 0 0 -4,-1.2 4,-3.1 -3,-0.4 -2,-0.2 0.946 116.0 46.4 -64.7 -51.4 36.4 6.3 133.6 61 61 A T H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.839 110.3 54.8 -63.0 -33.8 37.4 7.2 137.1 62 62 A L H X S+ 0 0 7 -4,-2.4 4,-2.2 -5,-0.2 5,-0.4 0.942 112.8 43.3 -63.2 -47.1 41.0 6.3 136.3 63 63 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 5,-0.4 0.940 112.0 52.2 -62.9 -50.0 40.8 8.8 133.4 64 64 A A H X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.922 117.5 36.8 -53.3 -51.3 39.0 11.5 135.3 65 65 A V H X S+ 0 0 12 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.951 121.0 41.2 -70.8 -53.5 41.4 11.6 138.2 66 66 A E H X S+ 0 0 60 -4,-2.2 4,-0.9 -5,-0.3 -3,-0.2 0.908 116.4 48.5 -65.6 -41.7 44.8 11.0 136.5 67 67 A L H X S+ 0 0 18 -4,-2.4 4,-0.8 -5,-0.4 3,-0.3 0.820 106.8 58.9 -68.0 -28.9 44.0 13.3 133.5 68 68 A A H >< S+ 0 0 0 -4,-1.0 3,-0.9 -5,-0.4 -1,-0.2 0.919 100.8 54.9 -64.8 -41.9 42.9 16.0 135.9 69 69 A K H 3< S+ 0 0 109 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 110.4 46.5 -61.4 -27.4 46.3 16.0 137.6 70 70 A E H 3< S+ 0 0 100 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.576 87.0 111.6 -92.1 -10.4 47.9 16.6 134.2 71 71 A A << - 0 0 10 -3,-0.9 4,-0.1 -4,-0.8 -36,-0.0 -0.319 64.8-142.9 -62.9 144.1 45.5 19.4 133.2 72 72 A R S S+ 0 0 220 2,-0.1 -1,-0.1 -71,-0.0 -3,-0.1 0.306 85.8 58.9 -92.0 10.5 47.1 22.8 133.0 73 73 A V S S- 0 0 4 -5,-0.2 2,-0.2 -31,-0.1 -2,-0.1 -0.909 104.8 -84.3-129.5 156.8 43.9 24.4 134.4 74 74 A P + 0 0 30 0, 0.0 -30,-1.9 0, 0.0 2,-0.4 -0.455 52.0 179.5 -67.4 136.1 42.2 23.6 137.8 75 75 A V E -ad 2 44A 0 -74,-2.6 -72,-2.6 -32,-0.2 2,-0.4 -0.994 14.2-165.5-136.1 141.5 39.9 20.5 137.6 76 76 A A E - d 0 45A 0 -32,-1.5 -30,-2.7 -2,-0.4 2,-0.7 -0.959 17.3-137.9-125.6 145.6 37.8 18.8 140.1 77 77 A V E - d 0 46A 0 -2,-0.4 20,-2.2 -74,-0.3 21,-1.6 -0.931 29.4-166.0-107.4 115.0 36.3 15.3 139.8 78 78 A H E -ed 98 47A 0 -32,-2.9 -30,-3.0 -2,-0.7 2,-0.8 -0.838 23.9-138.7-110.9 134.8 32.7 15.4 141.1 79 79 A L E -ed 99 48A 0 19,-1.8 21,-1.8 -2,-0.4 2,-0.7 -0.811 29.2-148.8 -87.2 115.2 30.2 12.7 142.0 80 80 A D E - d 0 49A 2 -32,-2.2 -30,-0.6 -2,-0.8 21,-0.0 -0.800 68.5 -7.2 -95.3 115.0 26.9 14.0 140.6 81 81 A H E S- 0 0 49 -2,-0.7 2,-0.3 1,-0.2 -31,-0.3 0.935 72.2-163.0 73.0 50.4 23.8 13.0 142.6 82 82 A G E -e 101 0A 0 18,-2.2 20,-2.8 -3,-0.5 -1,-0.2 -0.509 1.5-165.1 -63.6 126.1 25.2 10.5 145.1 83 83 A S + 0 0 57 -2,-0.3 2,-0.3 18,-0.2 -1,-0.2 0.544 61.9 18.2 -93.1 -9.1 22.1 8.7 146.3 84 84 A S S > S- 0 0 32 1,-0.1 4,-1.6 30,-0.0 5,-0.1 -0.943 75.8-105.6-151.7 174.4 23.6 7.0 149.4 85 85 A Y H > S+ 0 0 50 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.857 119.8 50.4 -69.5 -38.1 26.5 7.1 151.9 86 86 A E H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.853 105.4 54.9 -71.1 -35.6 28.0 4.0 150.3 87 87 A S H > S+ 0 0 5 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.936 109.6 49.4 -61.7 -43.6 27.9 5.5 146.8 88 88 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 3,-0.4 0.886 105.6 56.6 -62.3 -39.6 29.8 8.4 148.3 89 89 A L H X S+ 0 0 72 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.883 105.5 51.5 -60.3 -39.2 32.3 6.1 149.9 90 90 A R H X S+ 0 0 143 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.785 109.2 50.3 -69.0 -27.0 33.1 4.5 146.4 91 91 A A H <>S+ 0 0 0 -4,-1.2 5,-2.3 -3,-0.4 -2,-0.2 0.895 110.6 48.4 -75.9 -40.1 33.6 8.0 145.0 92 92 A L H ><5S+ 0 0 30 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.906 112.1 51.4 -61.8 -40.1 36.0 8.8 147.9 93 93 A R H 3<5S+ 0 0 224 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.2 55.3 -65.9 -33.5 37.6 5.5 147.1 94 94 A A T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.329 121.4-104.5 -85.4 8.5 38.0 6.3 143.4 95 95 A G T < 5 + 0 0 31 -3,-1.2 -3,-0.2 1,-0.2 -18,-0.2 0.656 60.8 163.0 81.4 15.4 39.9 9.5 144.2 96 96 A F < - 0 0 5 -5,-2.3 -18,-0.2 1,-0.1 -1,-0.2 -0.231 28.7-157.0 -61.9 159.9 37.1 12.1 143.5 97 97 A T S S+ 0 0 18 -20,-2.2 31,-1.5 1,-0.3 -92,-1.2 0.318 76.2 36.8-120.7 2.4 37.7 15.5 145.0 98 98 A S E -ef 78 128A 0 -21,-1.6 -19,-1.8 29,-0.2 2,-0.3 -0.972 64.7-176.8-153.8 139.2 34.1 16.6 145.2 99 99 A V E -ef 79 129A 0 29,-1.9 31,-2.7 -2,-0.3 2,-0.5 -1.000 13.5-151.1-143.3 141.1 30.9 14.7 146.0 100 100 A M E - f 0 130A 0 -21,-1.8 -18,-2.2 -2,-0.3 2,-0.6 -0.931 3.2-162.5-112.1 134.2 27.2 15.5 146.0 101 101 A I E -ef 82 131A 2 29,-2.2 2,-0.8 -2,-0.5 31,-0.6 -0.972 13.4-157.7-112.8 112.9 24.8 13.7 148.3 102 102 A D + 0 0 38 -20,-2.8 3,-0.1 -2,-0.6 29,-0.1 -0.837 38.5 138.6 -99.2 107.1 21.3 14.3 147.0 103 103 A K > + 0 0 36 -2,-0.8 3,-1.9 29,-0.3 -1,-0.1 -0.035 27.7 123.8-132.6 28.0 18.6 13.9 149.7 104 104 A S T 3 + 0 0 2 1,-0.3 30,-0.3 30,-0.1 -1,-0.1 0.636 69.9 62.3 -65.4 -15.1 16.4 16.8 148.7 105 105 A H T 3 S+ 0 0 126 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.317 95.5 79.0 -92.3 7.6 13.4 14.5 148.3 106 106 A E S < S- 0 0 83 -3,-1.9 -3,-0.1 1,-0.1 2,-0.0 -0.629 95.1 -89.2-107.2 167.1 13.7 13.6 152.0 107 107 A D > - 0 0 95 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.291 46.2 -96.6 -74.9 166.5 12.5 15.7 154.9 108 108 A F H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 120.9 45.0 -49.3 -52.8 14.7 18.4 156.5 109 109 A E H > S+ 0 0 96 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.871 116.5 46.2 -62.9 -38.7 16.0 16.4 159.4 110 110 A T H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.916 113.1 49.1 -69.8 -43.6 16.8 13.4 157.2 111 111 A N H X S+ 0 0 3 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.921 114.6 47.2 -60.5 -43.6 18.4 15.5 154.6 112 112 A V H X S+ 0 0 9 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.959 114.3 45.0 -62.8 -53.1 20.4 17.1 157.3 113 113 A R H X S+ 0 0 144 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.918 116.2 45.5 -59.1 -46.5 21.5 13.9 159.0 114 114 A E H X S+ 0 0 58 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.927 116.5 45.1 -64.3 -45.9 22.3 12.1 155.7 115 115 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.898 111.1 53.1 -65.2 -41.6 24.3 15.1 154.3 116 116 A R H X S+ 0 0 93 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.882 106.6 53.1 -62.1 -38.3 26.1 15.7 157.6 117 117 A R H X S+ 0 0 109 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.921 111.0 46.6 -62.2 -44.4 27.2 12.0 157.7 118 118 A V H X S+ 0 0 1 -4,-1.7 4,-2.9 1,-0.2 5,-0.3 0.934 108.3 56.1 -63.3 -46.2 28.6 12.4 154.2 119 119 A V H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.896 106.8 50.1 -53.2 -45.4 30.4 15.7 155.1 120 120 A E H X S+ 0 0 102 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.882 113.4 44.1 -62.4 -43.8 32.2 14.0 157.9 121 121 A A H X 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44.5 -83.6-138.3 169.4 53.7 -8.3 131.0 303 4 B T > - 0 0 38 -2,-0.3 4,-1.1 72,-0.1 94,-0.2 -0.276 36.7-116.4 -72.5 161.9 55.8 -8.2 127.8 304 5 B G H > S+ 0 0 0 92,-1.7 4,-3.1 1,-0.2 5,-0.3 0.894 113.7 56.0 -65.1 -38.0 54.5 -9.5 124.5 305 6 B L H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.879 100.0 57.1 -63.1 -40.3 57.2 -12.2 124.4 306 7 B E H > S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.901 116.4 38.0 -57.2 -39.1 56.3 -13.6 127.8 307 8 B I H X S+ 0 0 5 -4,-1.1 4,-1.9 -3,-0.2 -2,-0.2 0.919 119.2 44.4 -77.8 -48.3 52.8 -14.2 126.4 308 9 B L H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.794 111.2 54.4 -70.1 -28.9 53.6 -15.2 122.9 309 10 B K H X S+ 0 0 129 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.944 110.5 45.4 -69.3 -47.1 56.5 -17.6 123.9 310 11 B K H X S+ 0 0 79 -4,-1.1 4,-1.8 -5,-0.4 -2,-0.2 0.904 112.1 54.7 -61.6 -40.8 54.2 -19.5 126.3 311 12 B A H X>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 4,-0.6 0.925 111.2 41.4 -60.1 -50.3 51.5 -19.6 123.6 312 13 B R H ><5S+ 0 0 59 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.884 113.0 52.8 -68.8 -38.3 53.7 -21.1 120.9 313 14 B E H 3<5S+ 0 0 158 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.7 40.9 -65.3 -30.9 55.3 -23.6 123.2 314 15 B E H 3<5S- 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.413 115.9-112.1 -97.3 0.1 51.9 -24.7 124.3 315 16 B G T <<5S+ 0 0 45 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.770 74.0 109.8 79.8 27.6 50.2 -24.7 120.9 316 17 B Y < - 0 0 5 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.912 56.8-124.6-133.5 162.1 47.7 -21.9 121.2 317 18 B G - 0 0 0 281,-2.5 2,-0.5 -2,-0.3 231,-0.2 -0.692 12.4-146.3-103.5 156.4 47.2 -18.4 119.7 318 19 B V E -l 548 0C 0 229,-2.6 231,-1.9 -2,-0.3 2,-0.2 -0.988 20.8-126.1-123.0 127.4 46.7 -15.1 121.5 319 20 B G E -l 549 0C 1 -2,-0.5 25,-2.0 23,-0.3 2,-0.7 -0.471 9.0-154.1 -74.5 140.3 44.5 -12.4 120.0 320 21 B A E -lm 550 344C 0 229,-2.5 231,-2.4 -2,-0.2 2,-0.6 -0.882 21.9-164.9-111.9 92.5 45.9 -8.9 119.5 321 22 B F E -lm 551 345C 0 23,-1.9 25,-2.1 -2,-0.7 231,-0.2 -0.729 13.2-134.3 -90.5 119.1 42.7 -6.9 119.6 322 23 B N E - m 0 346C 5 229,-2.2 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56.6 -69.3 -40.7 15.3 1.0 55.0 964 53 D M H X5S+ 0 0 36 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.885 113.3 40.1 -55.7 -41.6 11.9 -0.8 54.5 965 54 D K H <5S+ 0 0 180 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.882 123.5 39.0 -76.9 -40.6 13.7 -4.0 53.7 966 55 D Y H <5S+ 0 0 22 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.890 128.5 31.9 -77.5 -42.0 16.5 -3.6 56.3 967 56 D G H >X5S+ 0 0 0 -4,-4.5 4,-2.1 -5,-0.2 3,-0.6 0.760 87.3 164.9 -87.8 -28.5 14.3 -2.2 59.0 968 57 D G H 3X< - 0 0 24 -4,-1.3 4,-2.2 -5,-0.7 3,-0.4 0.050 66.0 -16.5 45.8-152.4 11.1 -4.0 58.2 969 58 D R H 3> S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.825 136.4 59.2 -51.6 -36.4 8.2 -4.2 60.7 970 59 D A H <> S+ 0 0 4 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.948 109.8 42.0 -61.1 -48.5 10.5 -3.1 63.5 971 60 D L H X S+ 0 0 0 -4,-2.1 4,-2.9 -3,-0.4 -2,-0.2 0.953 116.5 45.5 -63.3 -53.8 11.4 0.2 61.8 972 61 D T H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.863 110.4 56.1 -60.7 -35.8 7.9 1.1 60.5 973 62 D L H X S+ 0 0 8 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.964 112.6 41.1 -59.2 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