==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENTEROTOXIN 15-SEP-93 1LTB . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN, SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.A.MERRITT,T.K.SIXMA,W.G.J.HOL . 741 7 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 27.7 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 49 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 6 3 0 0 0 0 1 0 0 0 0 0 0 1 2 2 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 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 PARALLEL BRIDGES PER LADDER . 3 1 1 9 12 4 4 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 . 1 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 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 A 0 0 52 0, 0.0 138,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 170.8 16.6 67.1 19.9 2 2 D P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.228 360.0-156.6 -53.2 158.6 13.6 66.6 17.4 3 3 D Q S S+ 0 0 75 1,-0.2 2,-0.3 140,-0.0 149,-0.1 0.577 71.7 35.7-116.0 -14.3 10.2 67.3 18.9 4 4 D T S > S- 0 0 61 1,-0.1 4,-2.0 147,-0.1 -1,-0.2 -0.943 81.5-113.4-137.6 161.1 8.0 65.3 16.5 5 5 D I H > S+ 0 0 7 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.850 114.8 57.3 -64.1 -38.7 8.4 62.0 14.6 6 6 D T H > S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.923 110.2 45.9 -63.9 -36.5 8.4 63.7 11.2 7 7 D E H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.864 114.2 47.7 -71.9 -37.6 11.4 65.8 12.4 8 8 D L H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.924 107.6 55.2 -72.3 -39.0 13.2 62.8 13.9 9 9 D a H >< S+ 0 0 3 -4,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.861 99.5 63.5 -63.0 -29.7 12.7 60.6 10.8 10 10 D S T 3< S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.458 83.5 71.0 -83.0 2.7 14.3 63.1 8.6 11 11 D E T < S+ 0 0 88 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.607 92.5 77.2 -83.8 -11.0 17.8 63.1 10.0 12 12 D Y S < S- 0 0 51 -3,-1.4 3,-0.5 -4,-0.3 2,-0.3 -0.629 79.8-124.9-104.2 155.7 18.3 59.6 8.6 13 13 D R S S+ 0 0 228 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.0 -0.668 92.4 18.5 -88.7 150.5 19.0 58.4 5.1 14 14 D N S S+ 0 0 97 -2,-0.3 75,-2.3 1,-0.2 76,-0.5 0.731 92.6 126.2 60.3 33.3 16.5 55.9 3.7 15 15 D T E -A 88 0A 26 -3,-0.5 2,-0.3 73,-0.3 73,-0.2 -0.533 34.2-173.4-107.1 174.8 13.6 56.5 6.1 16 16 D Q E -A 87 0A 80 71,-1.2 71,-2.7 -2,-0.2 2,-0.6 -0.967 23.8-121.8-166.2 149.7 9.9 57.3 5.4 17 17 D I E -A 86 0A 50 -2,-0.3 2,-0.5 69,-0.2 69,-0.3 -0.896 21.3-169.4 -98.0 116.7 6.8 58.3 7.3 18 18 D Y E -A 85 0A 56 67,-3.4 67,-2.1 -2,-0.6 2,-0.5 -0.922 14.5-146.6 -91.0 132.6 3.8 56.0 6.9 19 19 D T E +A 84 0A 93 -2,-0.5 65,-0.2 65,-0.2 64,-0.1 -0.877 29.7 163.3 -91.9 135.1 0.6 57.5 8.5 20 20 D I E - 0 0 24 63,-3.2 63,-0.2 -2,-0.5 64,-0.2 0.758 14.5-179.0-111.1 -55.5 -1.4 54.5 9.8 21 21 D N E + 0 0 92 62,-1.4 2,-0.3 61,-1.2 62,-0.2 0.916 56.3 91.6 49.7 51.8 -4.0 55.8 12.2 22 22 D D E S-A 82 0A 23 60,-1.4 60,-2.7 58,-0.1 2,-0.2 -0.963 77.1-100.7-160.0 166.6 -5.1 52.3 12.8 23 23 D K - 0 0 46 -2,-0.3 20,-0.4 58,-0.3 58,-0.2 -0.671 47.8 -84.7 -98.0 160.1 -4.4 49.4 15.2 24 24 D I - 0 0 2 56,-0.4 18,-0.2 -2,-0.2 3,-0.1 -0.346 29.4-163.5 -67.3 125.1 -2.3 46.2 14.6 25 25 D L S S+ 0 0 53 16,-2.5 494,-2.6 1,-0.3 2,-0.3 0.900 73.2 5.7 -73.9 -48.3 -4.2 43.5 12.8 26 26 D S E -BC 41 518A 19 15,-1.2 15,-1.6 492,-0.2 2,-0.5 -1.000 55.5-154.8-141.6 153.2 -1.6 40.8 13.7 27 27 D Y E -BC 40 517A 2 490,-1.8 490,-1.9 -2,-0.3 2,-0.5 -0.977 12.2-175.3-118.8 120.0 1.5 40.3 15.7 28 28 D T E -BC 39 516A 9 11,-2.9 11,-2.4 -2,-0.5 2,-0.4 -0.987 5.2-171.8-116.2 134.4 4.0 37.5 14.7 29 29 D E E -BC 38 515A 4 486,-2.3 486,-2.8 -2,-0.5 2,-0.4 -0.974 3.8-163.9-125.8 136.1 7.0 37.0 17.1 30 30 D S E +BC 37 514A 4 7,-2.2 7,-1.2 -2,-0.4 484,-0.3 -0.986 26.1 177.0-129.4 132.8 9.9 34.7 16.2 31 31 D M E +B 36 0A 2 482,-2.7 5,-0.2 -2,-0.4 483,-0.2 0.126 41.9 135.0-109.6 13.1 12.6 33.2 18.3 32 32 D A E > S-B 35 0A 1 3,-0.5 3,-2.3 481,-0.4 -2,-0.1 -0.450 70.9-102.6 -59.3 124.4 14.0 31.2 15.3 33 33 D G T 3 S+ 0 0 15 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.360 110.4 17.4 -50.1 138.7 17.8 31.7 15.4 34 34 D K T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.229 123.5 64.6 70.1 -2.8 18.8 34.3 12.8 35 35 D R E < +B 32 0A 77 -3,-2.3 2,-1.1 16,-0.1 -3,-0.5 -0.270 57.9 149.7-134.6 46.5 15.1 35.5 12.6 36 36 D E E +B 31 0A 6 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.726 40.5 115.5 -78.4 102.6 14.6 36.8 16.1 37 37 D M E -B 30 0A 4 -7,-1.2 -7,-2.2 -2,-1.1 2,-0.4 -0.995 62.6-124.4-164.9 158.9 12.0 39.5 15.1 38 38 D V E -BD 29 50A 2 12,-0.8 12,-2.0 -2,-0.3 2,-0.4 -0.943 22.2-165.3-111.7 140.4 8.4 40.8 15.4 39 39 D I E -BD 28 49A 3 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.4 -0.972 8.0-174.4-118.4 137.9 6.4 41.3 12.2 40 40 D I E -BD 27 48A 0 8,-2.3 8,-2.3 -2,-0.4 2,-0.4 -0.974 2.8-167.1-133.8 146.6 3.1 43.4 12.4 41 41 D T E -BD 26 47A 24 -15,-1.6 -16,-2.5 -2,-0.4 -15,-1.2 -0.946 9.6-145.4-132.0 157.5 0.6 44.0 9.7 42 42 D F > - 0 0 3 4,-2.7 3,-2.6 -2,-0.4 -18,-0.1 -0.933 34.1-105.9-118.6 154.1 -2.2 46.4 9.4 43 43 D K T 3 S+ 0 0 151 -20,-0.4 -19,-0.1 -2,-0.4 -1,-0.1 0.670 113.1 72.5 -48.5 -25.9 -5.5 45.7 7.6 44 44 D S T 3 S- 0 0 72 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.557 121.5-100.3 -69.5 -8.7 -4.4 47.9 4.7 45 45 D G S < S+ 0 0 59 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.1 0.063 79.0 139.0 108.4 -21.2 -2.0 45.3 3.6 46 46 D E - 0 0 67 -5,-0.1 -4,-2.7 -4,-0.0 2,-0.4 -0.335 29.1-173.1 -66.2 140.2 1.1 47.0 5.2 47 47 D T E +D 41 0A 29 -6,-0.2 47,-0.5 -3,-0.1 2,-0.3 -0.981 5.6 174.5-132.7 135.7 3.7 44.9 7.0 48 48 D F E -D 40 0A 2 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.3 -0.883 11.8-152.6-135.9 168.1 6.7 46.1 9.0 49 49 D Q E -De 39 95A 12 45,-2.0 47,-2.3 -2,-0.3 2,-0.6 -0.879 20.8-132.6-136.3 160.6 9.3 44.4 11.1 50 50 D V E -D 38 0A 0 -12,-2.0 -12,-0.8 -2,-0.3 47,-0.1 -0.997 50.7-130.1-108.9 117.8 11.6 45.2 14.1 51 51 D E - 0 0 7 -2,-0.6 -16,-0.1 45,-0.2 3,-0.1 -0.156 19.0 -85.2 -74.4 172.1 14.7 43.8 12.6 52 52 D V - 0 0 27 -18,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.462 45.7-103.1 -80.3 134.7 17.2 41.4 14.0 53 53 D P + 0 0 30 0, 0.0 2,-0.2 0, 0.0 -17,-0.1 -0.465 69.2 133.7 -55.2 125.0 20.0 42.7 16.2 54 54 D G S > S- 0 0 29 -2,-0.2 3,-0.8 -3,-0.1 8,-0.0 -0.817 70.5 -61.9-159.2-164.6 22.9 42.6 13.9 55 55 D S T 3 S+ 0 0 127 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 0.756 114.8 74.4 -77.1 -25.2 25.9 44.8 12.7 56 56 D Q T 3 S+ 0 0 110 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.277 88.2 84.4 -62.6 12.3 23.8 47.7 11.2 57 57 D H S < S- 0 0 9 -3,-0.8 2,-0.1 80,-0.0 5,-0.0 -0.973 74.7-136.2-127.8 128.9 23.1 48.7 14.9 58 58 D I >> - 0 0 63 -2,-0.5 3,-1.5 1,-0.1 4,-0.6 -0.364 39.7-101.4 -71.0 161.4 25.1 50.8 17.2 59 59 D D T >4 S+ 0 0 143 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.821 120.9 58.3 -58.4 -32.4 25.3 49.4 20.7 60 60 D S T 3> S+ 0 0 41 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.783 95.7 67.1 -68.2 -22.9 22.8 51.8 22.1 61 61 D Q H <> S+ 0 0 10 -3,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.782 85.0 71.8 -71.4 -20.0 20.3 50.5 19.6 62 62 D K H S+ 0 0 26 -4,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.854 115.5 53.6 -70.9 -28.8 18.2 48.0 24.4 64 64 D A H X S+ 0 0 5 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.915 104.2 53.6 -71.4 -44.5 15.9 50.3 22.1 65 65 D I H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.893 110.1 50.3 -49.0 -45.9 15.0 47.3 19.7 66 66 D E H X S+ 0 0 20 -4,-1.3 4,-1.7 1,-0.2 3,-0.2 0.950 109.7 48.1 -65.2 -49.1 14.0 45.4 22.9 67 67 D R H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 108.0 56.6 -58.7 -36.5 11.8 48.3 24.1 68 68 D M H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.894 106.0 49.9 -62.6 -41.1 10.2 48.5 20.6 69 69 D K H X S+ 0 0 10 -4,-1.8 4,-1.4 -3,-0.2 -1,-0.2 0.863 109.6 51.6 -66.9 -34.4 9.2 44.9 20.7 70 70 D D H X S+ 0 0 13 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.936 112.1 46.9 -63.3 -48.3 7.6 45.5 24.1 71 71 D T H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.960 110.4 50.8 -58.5 -57.1 5.7 48.5 22.8 72 72 D L H X S+ 0 0 1 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.782 112.1 48.5 -60.4 -21.8 4.5 46.7 19.7 73 73 D R H X S+ 0 0 10 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.951 114.9 42.0 -81.1 -49.9 3.2 43.7 21.8 74 74 D I H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 6,-0.2 0.896 113.4 53.9 -67.2 -36.4 1.4 45.8 24.4 75 75 D T H X>S+ 0 0 1 -4,-2.9 5,-1.3 2,-0.2 4,-1.2 0.939 111.2 46.8 -58.5 -46.4 -0.0 48.1 21.6 76 76 D Y H <5S+ 0 0 8 -4,-1.4 3,-0.5 -5,-0.3 -2,-0.2 0.935 113.0 48.0 -64.9 -41.1 -1.4 45.0 19.8 77 77 D L H <5S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.819 116.9 41.4 -74.2 -25.4 -2.9 43.5 22.9 78 78 D T H <5S- 0 0 12 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.626 103.8-130.6 -93.9 -6.7 -4.6 46.7 24.0 79 79 D E T <5 + 0 0 102 -4,-1.2 -3,-0.2 -3,-0.5 -4,-0.1 0.661 42.9 168.9 64.4 31.4 -5.7 47.6 20.5 80 80 D T < - 0 0 22 -5,-1.3 -56,-0.4 -6,-0.2 -1,-0.2 -0.409 36.9-113.6 -71.8 141.2 -4.3 51.2 20.7 81 81 D K - 0 0 105 21,-0.2 2,-0.5 -58,-0.2 -58,-0.3 -0.504 22.6-136.9 -75.2 151.2 -4.3 53.0 17.3 82 82 D I E -A 22 0A 0 -60,-2.7 -60,-1.4 1,-0.2 -61,-1.2 -0.912 12.0-163.9-106.7 129.2 -0.9 53.9 15.9 83 83 D D E - 0 0 35 17,-2.3 -63,-3.2 -2,-0.5 -62,-1.4 0.965 64.0 -8.6 -79.3 -67.4 -0.6 57.3 14.5 84 84 D K E -AF 19 100A 56 16,-1.1 16,-1.9 -65,-0.2 2,-0.4 -0.961 51.4-155.0-138.7 156.0 2.5 57.2 12.4 85 85 D L E -AF 18 99A 0 -67,-2.1 -67,-3.4 -2,-0.3 2,-0.5 -0.946 6.7-156.3-128.4 136.9 5.5 54.9 11.7 86 86 D a E -AF 17 98A 0 12,-2.0 11,-2.9 -2,-0.4 12,-1.8 -0.989 30.0-178.1-113.4 121.2 8.9 56.1 10.5 87 87 D V E -AF 16 96A 0 -71,-2.7 -71,-1.2 -2,-0.5 2,-0.6 -0.857 36.0-116.4-129.1 155.4 10.5 53.2 8.8 88 88 D W E -AF 15 95A 32 7,-2.4 7,-1.6 -2,-0.3 3,-0.5 -0.851 29.4-168.9 -87.2 121.1 13.7 52.2 7.0 89 89 D N + 0 0 54 -75,-2.3 -74,-0.1 -2,-0.6 -1,-0.1 0.176 64.3 91.1-104.3 14.3 12.6 51.5 3.5 90 90 D N S S+ 0 0 89 -76,-0.5 2,-0.3 5,-0.1 -1,-0.2 0.497 89.7 49.3 -86.6 -1.3 15.7 49.9 2.2 91 91 D K S S- 0 0 61 -3,-0.5 4,-0.1 4,-0.1 -3,-0.0 -0.951 87.7 -97.2-134.7 161.5 14.4 46.5 3.2 92 92 D T S S+ 0 0 84 -2,-0.3 2,-0.1 1,-0.2 -44,-0.1 -0.962 113.7 31.7-116.3 124.6 11.3 44.3 3.0 93 93 D P S S- 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -45,-0.2 0.569 107.1-121.0 -72.6 143.6 9.5 44.4 5.4 94 94 D N - 0 0 23 -47,-0.5 -45,-2.0 -46,-0.1 2,-0.3 -0.203 31.5-126.1 -48.2 137.1 10.4 48.0 6.1 95 95 D S E -eF 49 88A 0 -7,-1.6 -7,-2.4 -47,-0.2 2,-0.3 -0.687 18.0-109.2-101.1 145.8 11.8 48.2 9.6 96 96 D I E + F 0 87A 0 -47,-2.3 -9,-0.2 -2,-0.3 -45,-0.2 -0.543 37.4 164.6 -85.4 126.3 10.6 50.4 12.4 97 97 D A E S- 0 0 0 -11,-2.9 38,-3.1 1,-0.5 39,-0.7 0.752 71.1 -1.2-101.1 -36.3 12.7 53.3 13.5 98 98 D A E -GF 134 86A 0 -12,-1.8 -12,-2.0 36,-0.2 -1,-0.5 -0.955 58.1-160.4-151.9 158.9 10.1 55.3 15.4 99 99 D I E -GF 133 85A 0 34,-1.9 34,-2.7 -2,-0.3 2,-0.3 -0.953 4.5-169.6-138.0 148.0 6.4 55.0 16.4 100 100 D S E -GF 132 84A 5 -16,-1.9 -17,-2.3 -2,-0.3 -16,-1.1 -0.998 3.8-177.9-138.9 144.9 3.9 57.7 17.6 101 101 D M E -G 131 0A 2 30,-2.4 30,-2.1 -2,-0.3 2,-0.4 -0.954 10.2-154.5-136.0 147.7 0.4 57.2 18.9 102 102 D K E G 130 0A 119 -2,-0.3 28,-0.2 -21,-0.3 -21,-0.2 -0.986 360.0 360.0-142.3 148.8 -2.0 59.8 20.0 103 103 D N 0 0 53 26,-2.1 27,-0.1 -2,-0.4 -1,-0.1 -0.130 360.0 360.0-111.3 360.0 -4.8 59.8 22.3 104 !* 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 0.0 105 1 E A 0 0 54 0, 0.0 138,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 155.0 15.9 62.5 51.3 106 2 E P - 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0 0 37 -24,-1.9 4,-2.7 1,-0.2 3,-0.5 -0.674 27.2-177.7-112.9 90.1 -12.8 42.4 38.1 664 147 A D H > S+ 0 0 42 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.838 73.8 45.4 -54.7 -52.7 -13.6 41.1 41.4 665 148 A R H 4 S+ 0 0 35 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.860 115.6 50.0 -64.8 -30.5 -11.0 42.8 43.7 666 149 A Y H >> S+ 0 0 22 -3,-0.5 3,-0.6 1,-0.2 4,-0.5 0.938 118.0 33.8 -82.6 -46.0 -11.7 46.1 42.1 667 150 A Y H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.678 96.2 91.3 -79.0 -8.4 -15.5 46.2 42.2 668 151 A R T 3< S+ 0 0 98 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.691 99.6 25.4 -59.1 -24.9 -15.6 44.3 45.5 669 152 A N T <4 S+ 0 0 97 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.689 96.4 109.4-110.9 -24.9 -15.6 47.5 47.6 670 153 A L < - 0 0 33 -4,-0.5 -63,-0.3 -3,-0.1 2,-0.2 -0.176 41.7-173.4 -70.9 149.4 -17.0 50.1 45.4 671 154 A N - 0 0 111 1,-0.2 -60,-0.3 -65,-0.1 -1,-0.1 -0.610 35.6 -69.6-125.9 177.2 -20.3 51.6 45.8 672 155 A I - 0 0 37 -2,-0.2 -1,-0.2 -65,-0.1 -60,-0.2 -0.277 60.0 -93.0 -68.8 163.1 -22.5 54.0 43.9 673 156 A A B -k 612 0C 5 -62,-2.7 -60,-0.5 -65,-0.5 2,-0.1 -0.616 46.1-107.2 -77.1 144.1 -21.5 57.7 43.6 674 157 A P >> - 0 0 65 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.440 23.6-118.2 -69.6 145.1 -23.0 59.9 46.3 675 158 A A H >> S+ 0 0 14 1,-0.3 4,-2.4 2,-0.2 3,-0.8 0.846 111.6 70.5 -58.1 -27.3 -25.9 62.3 45.2 676 159 A E H 3> S+ 0 0 107 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.900 101.2 44.0 -51.4 -41.8 -23.6 65.2 46.2 677 160 A D H <4 S+ 0 0 65 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.725 114.3 52.8 -74.9 -20.9 -21.4 64.4 43.3 678 161 A G H XX S+ 0 0 1 -4,-0.9 3,-2.3 -3,-0.8 4,-0.6 0.830 88.8 78.2 -83.3 -31.2 -24.5 64.0 41.2 679 162 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.2 1,-0.3 4,-0.2 0.834 93.6 47.5 -54.9 -43.4 -26.1 67.4 42.0 680 163 A R T 3< S+ 0 0 75 -4,-0.6 -1,-0.3 1,-0.2 3,-0.3 0.665 114.9 52.1 -68.1 -15.5 -24.0 69.5 39.7 681 164 A L T <4 S+ 0 0 0 -3,-2.3 -123,-0.9 1,-0.2 -1,-0.2 0.447 72.1 107.9-100.9 -3.2 -24.7 66.8 37.1 682 165 A A << - 0 0 0 -3,-1.2 -123,-2.0 -4,-0.6 -1,-0.2 0.704 69.6-144.3 -48.1 -31.0 -28.5 66.7 37.3 683 166 A G + 0 0 1 -3,-0.3 -123,-0.2 -125,-0.2 -1,-0.1 0.633 34.9 163.3 76.2 9.9 -29.0 68.4 33.9 684 167 A F - 0 0 0 1,-0.1 -1,-0.2 -125,-0.1 -126,-0.0 -0.345 49.5 -96.4 -56.6 146.6 -32.2 70.4 34.9 685 168 A P > - 0 0 41 0, 0.0 3,-2.7 0, 0.0 6,-0.3 -0.276 38.3 -99.6 -68.8 160.2 -32.7 73.3 32.3 686 169 A P T 3 S+ 0 0 26 0, 0.0 19,-2.6 0, 0.0 -2,-0.1 0.715 123.2 43.5 -46.7 -32.0 -31.3 76.8 33.2 687 170 A D T 3 S+ 0 0 119 17,-0.1 2,-0.4 3,-0.0 17,-0.1 0.158 81.4 125.0-100.8 10.7 -34.7 78.0 34.2 688 171 A H X - 0 0 30 -3,-2.7 3,-1.8 1,-0.2 4,-0.2 -0.610 67.9-126.2 -80.9 130.9 -35.8 74.9 36.1 689 172 A Q G >> S+ 0 0 132 -2,-0.4 3,-1.7 1,-0.3 4,-0.5 0.737 101.7 75.7 -38.7 -36.0 -36.9 75.8 39.6 690 173 A A G >4 S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 7,-0.3 0.860 83.3 63.9 -48.7 -40.0 -34.5 73.2 41.0 691 174 A W G <4 S+ 0 0 4 -3,-1.8 -1,-0.3 -6,-0.3 9,-0.2 0.529 104.7 46.8 -62.7 -10.4 -31.4 75.4 40.4 692 175 A R G <4 S+ 0 0 130 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.490 107.0 63.7-115.1 -6.6 -32.7 78.0 42.9 693 176 A E S 4 S+ 0 0 38 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.996 126.4 50.8 -89.0 -11.3 -29.7 71.2 47.4 696 179 A W G >> S+ 0 0 9 1,-0.2 3,-2.7 -6,-0.2 4,-0.8 0.739 95.6 71.4 -60.4 -28.6 -29.0 72.0 43.8 697 180 A I G >< S+ 0 0 67 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.933 96.9 54.1 -51.3 -42.8 -28.4 75.8 44.3 698 181 A H G <4 S+ 0 0 114 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.345 119.3 31.0 -75.2 1.6 -25.3 74.9 46.0 699 182 A H G <4 S+ 0 0 64 -3,-2.7 -1,-0.3 -20,-0.1 -2,-0.2 0.250 81.6 140.1-143.9 10.6 -24.1 72.9 43.0 700 183 A A << - 0 0 32 -3,-1.0 3,-0.1 -4,-0.8 -20,-0.1 -0.393 48.4-124.8 -66.2 123.2 -25.6 74.7 40.0 701 184 A P > - 0 0 13 0, 0.0 3,-1.9 0, 0.0 2,-0.7 0.024 42.8 -68.1 -55.9 170.8 -23.3 75.0 36.9 702 185 A Q T 3 S+ 0 0 140 1,-0.3 11,-0.3 7,-0.1 12,-0.1 -0.509 126.4 20.6 -64.2 106.2 -22.4 78.2 35.1 703 186 A G T 3 S+ 0 0 37 -2,-0.7 7,-0.7 1,-0.4 2,-0.5 0.570 94.3 109.6 112.4 11.9 -25.6 79.3 33.5 704 187 A f < 0 0 8 -3,-1.9 -1,-0.4 6,-0.1 -17,-0.1 -0.983 360.0 360.0-118.1 125.7 -28.2 77.5 35.6 705 188 A G 0 0 74 -19,-2.6 -13,-0.1 -2,-0.5 -16,-0.1 -0.264 360.0 360.0 55.8 360.0 -30.3 79.7 37.9 706 !* 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 0.0 707 196 C G >> 0 0 47 0, 0.0 3,-1.2 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0-142.0 -28.6 79.3 29.0 708 197 C D H 3> + 0 0 104 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.806 360.0 70.1 -56.7 -23.9 -27.2 76.7 26.5 709 198 C T H 3> S+ 0 0 60 2,-0.3 4,-3.2 1,-0.2 5,-0.4 0.934 91.1 53.5 -51.1 -47.6 -24.2 77.3 28.9 710 199 C f H <> S+ 0 0 0 -3,-1.2 4,-1.7 -7,-0.7 -1,-0.2 0.933 116.0 41.1 -56.7 -43.0 -26.2 75.5 31.7 711 200 C N H X S+ 0 0 62 -4,-1.2 4,-1.6 2,-0.2 -2,-0.3 0.713 116.6 46.5 -79.7 -23.5 -26.4 72.6 29.2 712 201 C E H X S+ 0 0 114 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.947 112.9 49.7 -82.4 -50.1 -22.8 72.9 27.8 713 202 C E H X S+ 0 0 55 -4,-3.2 4,-2.5 -11,-0.3 5,-0.2 0.873 111.0 51.7 -51.3 -40.8 -21.4 73.1 31.3 714 203 C T H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.4 -1,-0.2 0.946 113.5 43.2 -62.0 -45.9 -23.6 70.0 32.2 715 204 C Q H X S+ 0 0 28 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.907 115.7 48.4 -64.5 -39.4 -22.2 68.1 29.2 716 205 C N H X S+ 0 0 85 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.884 114.9 43.4 -71.7 -41.2 -18.6 69.2 29.8 717 206 C L H X S+ 0 0 40 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.889 115.7 51.3 -74.3 -34.9 -18.7 68.4 33.6 718 207 C S H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.951 110.3 46.5 -62.1 -57.0 -20.4 65.1 32.7 719 208 C T H X S+ 0 0 16 -4,-3.0 4,-2.7 2,-0.3 5,-0.3 0.847 110.0 53.9 -55.1 -38.8 -17.8 64.1 30.1 720 209 C I H X S+ 0 0 92 -4,-1.8 4,-1.8 1,-0.2 5,-0.2 0.986 109.7 49.0 -66.1 -41.6 -15.0 65.0 32.6 721 210 C Y H X S+ 0 0 37 -4,-2.4 4,-1.5 1,-0.2 -2,-0.3 0.891 114.0 46.1 -59.9 -39.9 -16.7 62.7 35.0 722 211 C L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.927 110.6 51.3 -67.9 -38.9 -16.9 59.9 32.3 723 212 C R H X S+ 0 0 61 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.873 108.8 51.2 -69.8 -33.7 -13.2 60.3 31.1 724 213 C E H >X S+ 0 0 91 -4,-1.8 4,-2.0 -5,-0.3 3,-0.9 0.974 111.0 47.8 -65.2 -50.1 -11.8 60.0 34.5 725 214 C Y H 3X S+ 0 0 17 -4,-1.5 4,-1.9 1,-0.3 -2,-0.2 0.925 108.0 56.0 -60.5 -46.9 -13.8 56.8 35.1 726 215 C Q H 3X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.3 0.721 105.0 53.2 -56.4 -25.2 -12.7 55.4 31.6 727 216 C S H S+ 0 0 23 -4,-1.6 4,-2.1 1,-0.2 5,-0.6 0.882 107.3 56.7 -68.7 -36.6 -8.1 51.2 31.5 731 220 C R H <5S+ 0 0 5 -4,-2.9 4,-0.4 -549,-0.4 -1,-0.2 0.848 110.6 48.3 -58.6 -31.5 -5.8 51.1 34.5 732 221 C Q H <5S+ 0 0 15 -4,-1.4 4,-0.2 -5,-0.3 -2,-0.2 0.992 121.4 28.2 -69.7 -59.9 -7.6 47.9 35.5 733 222 C I H ><5S+ 0 0 39 -4,-2.1 3,-1.5 1,-0.2 4,-0.2 0.872 119.0 50.8 -79.6 -37.5 -7.6 46.0 32.2 734 223 C F G ><5S+ 0 0 19 -4,-2.1 3,-2.1 1,-0.3 4,-0.5 0.852 95.6 72.1 -75.7 -24.8 -4.4 47.2 30.4 735 224 C S G > - 0 0 64 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.873 29.7-174.3 -92.4 102.8 15.0 43.2 33.7 743 232 C I H > S+ 0 0 3 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.909 79.9 56.4 -68.7 -44.1 16.7 46.5 33.5 744 233 C Y H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.809 108.7 51.4 -60.2 -24.5 20.0 45.0 34.7 745 234 C N H 4 S+ 0 0 74 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.984 116.5 32.5 -75.7 -60.8 19.8 42.6 31.8 746 235 C R H < 0 0 27 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.827 360.0 360.0 -72.8 -29.2 19.2 44.9 28.8 747 236 C I < 0 0 80 -4,-2.4 -1,-0.3 -5,-0.2 -3,-0.2 0.534 360.0 360.0 -86.1 360.0 21.2 47.9 30.1