==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENTEROTOXIN 30-APR-99 1QB5 . COMPND 2 MOLECULE: PROTEIN (HEAT LABILE ENTEROTOXIN TYPE IIB B- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,W.G.J.HOL . 495 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 32.3 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 . 5 1.0 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 0.2 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 . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 2 3 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 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 PARALLEL BRIDGES PER LADDER . 0 0 5 5 7 6 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 D G 0 0 43 0, 0.0 78,-0.1 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 160.5 3.3 34.5 69.1 2 2 D A - 0 0 12 1,-0.1 17,-0.1 76,-0.1 123,-0.0 -0.318 360.0-111.4 -61.1 136.2 6.2 34.0 71.5 3 3 D S > - 0 0 15 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.256 25.3-112.3 -62.4 159.6 8.3 31.0 70.7 4 4 D Q H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 118.6 54.7 -58.4 -39.6 8.1 28.1 73.1 5 5 D F H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 108.8 46.0 -59.3 -43.4 11.7 28.7 74.0 6 6 D F H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.919 112.9 50.2 -71.3 -43.8 11.1 32.4 74.9 7 7 D K H X S+ 0 0 72 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.941 110.9 49.4 -58.3 -50.9 8.0 31.5 76.9 8 8 D D H X S+ 0 0 67 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.855 110.2 50.4 -59.8 -38.8 9.9 28.8 78.8 9 9 D N H < S+ 0 0 13 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.828 113.9 43.7 -73.4 -30.3 12.8 31.1 79.6 10 10 D a H >< S+ 0 0 8 -4,-1.7 3,-1.9 1,-0.2 5,-0.4 0.845 107.3 61.2 -79.5 -32.3 10.5 33.8 80.9 11 11 D N H 3< S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.786 101.7 53.7 -56.3 -30.6 8.5 31.2 82.8 12 12 D R T 3< S+ 0 0 156 -4,-1.0 -1,-0.3 -5,-0.2 2,-0.2 0.299 105.3 71.0 -91.2 10.1 11.7 30.5 84.7 13 13 D T S < S- 0 0 34 -3,-1.9 -3,-0.1 -5,-0.1 118,-0.0 -0.515 86.8-116.4-113.4-177.6 12.0 34.1 85.7 14 14 D T S S+ 0 0 125 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 0.133 85.2 95.6-102.1 12.3 10.2 36.5 88.1 15 15 D A S S- 0 0 22 -5,-0.4 2,-0.4 68,-0.1 68,-0.2 0.017 76.5-102.8 -90.3-170.1 9.1 38.7 85.2 16 16 D S E -A 82 0A 38 66,-3.1 66,-2.6 2,-0.0 2,-0.6 -0.984 23.4-130.0-120.9 142.0 6.0 39.0 83.0 17 17 D L E -A 81 0A 53 -2,-0.4 2,-0.5 64,-0.2 64,-0.2 -0.796 23.3-170.5 -87.4 121.8 5.6 37.7 79.5 18 18 D V E -A 80 0A 34 62,-3.1 62,-3.0 -2,-0.6 3,-0.3 -0.960 10.1-164.6-118.2 114.3 4.2 40.3 77.2 19 19 D E E + 0 0 87 -2,-0.5 60,-0.2 60,-0.2 -2,-0.0 -0.734 54.5 6.5-107.9 150.8 3.1 39.1 73.7 20 20 D G E S+ 0 0 20 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.739 75.2 172.6 61.9 37.0 2.3 40.6 70.3 21 21 D V E -A 78 0A 15 57,-2.1 57,-1.8 -3,-0.3 2,-0.6 -0.571 25.4-148.4 -80.2 132.6 3.2 44.2 71.3 22 22 D E - 0 0 80 -2,-0.3 20,-2.0 55,-0.2 2,-0.5 -0.907 12.9-150.8 -98.5 119.2 3.3 46.8 68.6 23 23 D L E +B 41 0A 8 -2,-0.6 18,-0.2 53,-0.5 52,-0.2 -0.818 24.0 166.9 -97.3 127.7 5.9 49.4 69.4 24 24 D T E + 0 0 12 16,-2.7 474,-2.3 -2,-0.5 475,-0.4 0.506 58.4 45.3-119.6 -10.3 5.2 52.9 68.1 25 25 D K E -BC 40 497A 27 15,-1.4 15,-1.8 472,-0.2 2,-0.4 -0.997 54.7-166.3-138.5 145.2 7.6 55.2 69.8 26 26 D Y E -BC 39 496A 0 470,-1.6 470,-2.9 -2,-0.4 2,-0.4 -1.000 15.8-167.6-129.9 126.6 11.4 55.1 70.4 27 27 D I E -BC 38 495A 0 11,-2.7 11,-1.9 -2,-0.4 2,-0.4 -0.953 17.3-174.7-126.0 135.4 13.0 57.5 72.9 28 28 D S E +BC 37 494A 0 466,-2.1 466,-2.6 -2,-0.4 2,-0.4 -0.997 16.6 176.1-122.8 132.2 16.5 58.5 73.8 29 29 D D E +BC 36 493A 1 7,-1.7 7,-2.3 -2,-0.4 464,-0.2 -0.999 22.3 179.2-140.1 130.2 16.9 60.9 76.8 30 30 D I + 0 0 33 462,-2.4 5,-0.2 -2,-0.4 463,-0.1 0.339 43.3 125.9-115.7 8.0 20.1 62.2 78.4 31 31 D N S >> S- 0 0 19 461,-0.4 4,-1.4 3,-0.1 3,-0.9 -0.413 74.4 -98.8 -68.4 147.3 18.4 64.4 81.0 32 32 D N T 34 S+ 0 0 133 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.735 108.8 15.8 -40.1 -59.6 19.5 63.7 84.6 33 33 D N T 34 S+ 0 0 143 1,-0.2 -1,-0.3 376,-0.1 -2,-0.0 0.545 129.1 46.7-108.8 2.3 16.9 61.5 86.1 34 34 D T T <4 S+ 0 0 28 -3,-0.9 -2,-0.2 375,-0.1 -1,-0.2 0.281 78.2 139.2-114.6 5.0 15.0 60.3 83.1 35 35 D D < + 0 0 41 -4,-1.4 2,-0.3 -5,-0.2 -5,-0.2 -0.196 35.5 74.0 -54.7 134.6 18.1 59.3 81.1 36 36 D G E S-B 29 0A 2 -7,-2.3 -7,-1.7 421,-0.1 2,-0.4 -0.879 80.1 -70.3 150.5 179.5 17.8 56.1 79.1 37 37 D M E +B 28 0A 7 12,-0.5 12,-2.9 -2,-0.3 2,-0.3 -0.926 49.2 177.7-106.8 130.8 16.2 54.3 76.2 38 38 D Y E -BD 27 48A 14 -11,-1.9 -11,-2.7 -2,-0.4 2,-0.3 -0.951 18.5-155.1-135.1 152.7 12.5 53.7 76.2 39 39 D V E -BD 26 47A 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.4 -0.936 9.2-154.2-123.3 150.4 9.8 52.2 73.9 40 40 D V E -BD 25 46A 5 -15,-1.8 -16,-2.7 -2,-0.3 -15,-1.4 -0.989 13.1-136.3-124.3 133.4 6.1 52.9 74.0 41 41 D S E > -B 23 0A 6 4,-2.4 3,-2.4 -2,-0.4 -18,-0.2 -0.432 30.8-102.2 -86.0 167.0 3.4 50.6 72.8 42 42 D S T 3 S+ 0 0 57 -20,-2.0 -19,-0.1 1,-0.3 -1,-0.1 0.662 124.5 48.6 -60.2 -19.3 0.4 51.4 70.6 43 43 D T T 3 S- 0 0 130 -21,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.136 125.4 -97.3-110.2 16.4 -1.7 51.3 73.8 44 44 D G S < S+ 0 0 50 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.516 70.2 145.0 91.7 4.8 0.5 53.5 75.9 45 45 D G - 0 0 26 43,-0.0 -4,-2.4 42,-0.0 2,-0.4 -0.551 34.7-149.8 -75.2 149.6 2.7 51.1 77.9 46 46 D V E -D 40 0A 20 -6,-0.2 43,-1.9 -2,-0.2 2,-0.4 -0.968 14.8-178.1-121.4 132.1 6.2 52.3 78.5 47 47 D W E -De 39 89A 21 -8,-2.5 -8,-2.4 -2,-0.4 2,-0.4 -0.983 20.1-136.4-128.9 144.7 9.3 50.1 78.9 48 48 D R E -De 38 90A 82 41,-3.4 43,-2.2 -2,-0.4 2,-0.5 -0.771 21.2-129.6 -92.8 136.3 12.9 50.9 79.7 49 49 D I E - e 0 91A 5 -12,-2.9 -12,-0.5 -2,-0.4 43,-0.1 -0.761 29.0-115.6 -84.8 129.1 15.6 49.1 77.7 50 50 D S - 0 0 14 41,-0.7 2,-0.3 -2,-0.5 15,-0.1 -0.306 31.1-159.1 -60.7 148.3 18.2 47.6 79.9 51 51 D R - 0 0 78 11,-0.0 2,-0.3 -15,-0.0 7,-0.1 -0.947 10.5-178.0-129.2 155.6 21.8 49.0 79.6 52 52 D A - 0 0 28 -2,-0.3 10,-0.1 6,-0.1 9,-0.1 -0.975 22.3-162.0-154.5 136.5 25.1 47.6 80.5 53 53 D K S S+ 0 0 125 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.794 72.8 72.4 -81.7 -36.2 28.7 48.7 80.3 54 54 D D S >> S- 0 0 123 1,-0.1 4,-1.7 4,-0.1 3,-0.6 -0.595 86.1 -74.5 -98.6 147.1 30.4 45.4 80.7 55 55 D Y T 34 S+ 0 0 65 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.483 105.8 18.9 -65.6 140.7 30.8 42.3 78.5 56 56 D P T >> S+ 0 0 34 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.995 124.3 49.9 -95.5 0.7 28.8 40.3 77.7 57 57 D D H <> S+ 0 0 46 -3,-0.6 4,-2.7 1,-0.3 5,-0.3 0.760 98.8 69.4 -73.4 -18.1 25.7 42.2 78.5 58 58 D N H 3X S+ 0 0 63 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.861 102.7 47.7 -58.4 -31.2 26.9 45.2 76.6 59 59 D V H <> S+ 0 0 25 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.954 112.1 46.4 -74.2 -49.0 26.4 43.1 73.5 60 60 D M H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.884 112.3 50.1 -61.8 -41.1 22.9 41.8 74.5 61 61 D T H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.880 107.6 53.5 -71.6 -34.0 21.7 45.3 75.4 62 62 D A H X S+ 0 0 23 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.917 109.0 50.3 -60.1 -42.6 22.9 46.8 72.1 63 63 D E H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.838 105.9 56.2 -65.0 -33.7 20.9 44.0 70.3 64 64 D M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.886 106.9 49.0 -64.6 -40.2 17.9 44.9 72.3 65 65 D R H X S+ 0 0 29 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.889 111.1 50.6 -63.5 -37.8 18.1 48.5 71.1 66 66 D K H X S+ 0 0 67 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 111.5 47.4 -67.5 -38.4 18.5 47.3 67.6 67 67 D I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.924 111.5 51.1 -67.4 -43.5 15.4 45.1 67.9 68 68 D A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.950 112.4 45.5 -57.1 -51.3 13.4 47.9 69.5 69 69 D M H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.927 111.9 52.2 -61.8 -40.9 14.3 50.3 66.7 70 70 D A H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 6,-0.4 0.906 108.7 50.3 -63.6 -38.1 13.6 47.6 64.0 71 71 D A H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.910 112.2 48.0 -65.7 -42.9 10.1 46.9 65.5 72 72 D V H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.943 115.8 41.7 -61.4 -51.1 9.3 50.6 65.5 73 73 D L H < S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 125.9 33.3 -69.4 -33.4 10.4 51.4 62.0 74 74 D S H < S- 0 0 64 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.525 98.3-124.7-105.8 -4.5 8.9 48.2 60.4 75 75 D G < + 0 0 50 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.584 57.0 151.1 75.8 6.4 5.8 47.6 62.5 76 76 D M - 0 0 32 -6,-0.4 -53,-0.5 -5,-0.3 -1,-0.2 -0.469 45.3-115.0 -74.0 144.0 6.9 44.1 63.4 77 77 D R - 0 0 100 20,-0.5 20,-2.4 22,-0.2 2,-0.3 -0.436 25.7-155.6 -81.8 157.2 5.7 42.8 66.7 78 78 D V E -AF 21 96A 0 -57,-1.8 -57,-2.1 18,-0.2 2,-0.4 -0.938 9.4-144.0-128.8 151.6 7.9 41.9 69.7 79 79 D N E - F 0 95A 0 16,-2.5 16,-2.9 -2,-0.3 2,-0.4 -0.915 26.3-160.5-107.7 139.0 7.5 39.6 72.7 80 80 D M E -AF 18 94A 0 -62,-3.0 -62,-3.1 -2,-0.4 2,-0.5 -0.937 25.7-155.6-128.7 148.6 8.9 40.8 76.0 81 81 D a E +AF 17 93A 1 12,-2.6 11,-3.2 -2,-0.4 12,-1.4 -0.982 48.0 149.0-114.3 109.3 10.0 39.4 79.3 82 82 D A E -AF 16 91A 0 -66,-2.6 -66,-3.1 -2,-0.5 9,-0.2 -0.887 53.3 -79.3-143.0 161.5 9.7 42.4 81.6 83 83 D S - 0 0 23 7,-2.0 -68,-0.1 -2,-0.3 6,-0.1 -0.366 38.8-155.5 -57.8 144.9 8.9 43.7 85.0 84 84 D P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.504 73.1 40.9-105.6 -3.9 5.2 43.8 85.7 85 85 D A S S+ 0 0 95 3,-0.1 2,-0.2 0, 0.0 4,-0.1 0.340 94.0 73.0-137.5 8.3 4.3 46.4 88.4 86 86 D S S S- 0 0 74 4,-0.1 3,-0.3 -3,-0.0 0, 0.0 -0.469 77.1 -99.0-110.3-179.8 6.3 49.6 87.9 87 87 D S S S+ 0 0 114 1,-0.5 2,-0.1 -2,-0.2 -40,-0.1 -0.836 110.8 23.4-150.8 114.1 6.3 52.4 85.4 88 88 D P S S- 0 0 37 0, 0.0 -1,-0.5 0, 0.0 -41,-0.2 0.601 92.7-147.4 -74.2 159.7 8.3 52.2 83.3 89 89 D N E -e 47 0A 26 -43,-1.9 -41,-3.4 -3,-0.3 2,-0.4 -0.604 15.8-124.5 -81.6 154.6 8.8 48.5 83.3 90 90 D V E -e 48 0A 22 -43,-0.2 -7,-2.0 -2,-0.2 2,-0.5 -0.801 14.8-131.7-103.6 142.4 12.3 47.1 82.4 91 91 D I E +eF 49 82A 1 -43,-2.2 -41,-0.7 -2,-0.4 -9,-0.2 -0.830 26.3 172.2 -94.3 128.4 12.9 44.6 79.6 92 92 D W E S+ 0 0 60 -11,-3.2 38,-2.8 -2,-0.5 39,-0.5 0.557 74.1 11.4-108.2 -18.3 15.1 41.6 80.4 93 93 D A E -GF 129 81A 2 -12,-1.4 -12,-2.6 36,-0.2 -1,-0.4 -0.962 64.8-168.7-155.7 149.5 14.5 39.8 77.2 94 94 D I E -GF 128 80A 2 34,-2.2 34,-2.2 -2,-0.3 2,-0.5 -0.995 6.6-158.1-144.8 139.8 12.9 40.7 73.9 95 95 D E E -GF 127 79A 0 -16,-2.9 -16,-2.5 -2,-0.3 2,-0.4 -0.990 8.0-152.3-124.2 120.9 11.9 38.6 70.9 96 96 D L E -GF 126 78A 0 30,-3.0 30,-1.7 -2,-0.5 2,-0.5 -0.785 20.1-158.7 -87.4 127.7 11.5 40.1 67.4 97 97 D E E +G 125 0A 3 -20,-2.4 -20,-0.5 -2,-0.4 28,-0.2 -0.938 33.9 171.8-123.5 131.0 9.0 38.2 65.3 98 98 D A 0 0 52 26,-3.0 -1,-0.2 -2,-0.5 27,-0.1 0.853 360.0 360.0 -85.7 -45.0 8.5 38.0 61.6 99 99 D E 0 0 132 25,-0.7 -22,-0.2 -98,-0.1 -2,-0.1 0.271 360.0 360.0 -54.9 360.0 6.0 35.2 62.1 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 1 E G 0 0 61 0, 0.0 78,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 165.4 21.5 25.8 49.0 102 2 E A - 0 0 13 1,-0.1 17,-0.1 76,-0.1 123,-0.0 -0.315 360.0-110.6 -70.1 145.8 24.9 26.1 50.7 103 3 E S > - 0 0 16 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.336 25.0-114.5 -69.8 160.3 27.9 27.0 48.7 104 4 E Q H > S+ 0 0 123 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.904 117.2 53.5 -59.1 -42.7 30.6 24.4 48.1 105 5 E F H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 111.0 45.1 -57.8 -41.5 33.0 26.5 50.2 106 6 E F H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.949 114.7 48.3 -73.1 -44.0 30.7 26.6 53.1 107 7 E K H X S+ 0 0 76 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.926 111.7 49.6 -58.7 -52.3 29.8 22.9 52.8 108 8 E D H < S+ 0 0 81 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.860 111.3 49.8 -56.0 -41.2 33.5 22.0 52.6 109 9 E N H >< S+ 0 0 12 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.896 111.2 46.6 -72.4 -38.1 34.3 24.0 55.6 110 10 E b H >< S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.2 5,-0.2 0.844 104.4 63.2 -70.9 -31.6 31.6 22.6 57.8 111 11 E N T 3< S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.629 94.5 61.4 -68.8 -13.3 32.5 19.1 56.8 112 12 E R T < S+ 0 0 123 -3,-0.8 -1,-0.3 -4,-0.4 2,-0.2 0.477 101.0 66.3 -91.3 -0.2 36.0 19.4 58.3 113 13 E T S < S- 0 0 34 -3,-1.6 118,-0.0 2,-0.2 -3,-0.0 -0.637 91.0-110.4-115.4 170.7 34.5 20.0 61.8 114 14 E T S S+ 0 0 121 -2,-0.2 -3,-0.1 2,-0.1 -4,-0.1 0.518 90.8 100.0 -73.3 -8.5 32.5 18.0 64.4 115 15 E A S S- 0 0 13 -5,-0.2 2,-0.3 68,-0.1 68,-0.2 -0.267 70.3-125.3 -79.7 163.6 29.6 20.3 63.6 116 16 E S E -H 182 0A 58 66,-3.1 66,-2.6 -2,-0.0 2,-0.5 -0.791 16.8-119.8-113.6 158.0 26.6 19.6 61.3 117 17 E L E -H 181 0A 46 -2,-0.3 2,-0.5 64,-0.2 64,-0.2 -0.818 21.4-169.8-100.7 125.9 25.3 21.5 58.3 118 18 E V E -H 180 0A 38 62,-3.0 62,-3.0 -2,-0.5 2,-0.3 -0.974 13.6-161.3-114.7 127.6 21.8 22.9 58.3 119 19 E E E + 0 0 92 -2,-0.5 60,-0.2 60,-0.2 -2,-0.0 -0.882 55.7 6.9-117.1 147.2 20.4 24.2 55.0 120 20 E G E S+ 0 0 35 -2,-0.3 2,-0.3 1,-0.2 59,-0.2 0.690 74.5 172.7 69.7 31.2 17.6 26.5 53.8 121 21 E V E -H 178 0A 15 57,-2.0 57,-1.9 -3,-0.2 2,-0.7 -0.508 24.5-150.4 -76.9 129.3 16.6 27.6 57.2 122 22 E E - 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