==== 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 TOXIN 15-JUL-92 1LTS . COMPND 2 MOLECULE: HEAT-LABILE ENTEROTOXIN, SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR 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) . 28841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 26.9 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 . 43 5.8 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 . 159 21.5 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 4 4 1 0 0 0 1 0 0 0 0 0 1 0 1 3 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 9 13 4 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 . 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 48 0, 0.0 138,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 163.2 16.6 67.1 20.0 2 2 D P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.320 360.0-158.3 -57.6 153.6 13.6 66.6 17.5 3 3 D Q S S+ 0 0 75 1,-0.1 2,-0.3 140,-0.1 149,-0.1 0.615 71.2 38.6-111.7 -19.0 10.2 67.4 18.8 4 4 D T S > S- 0 0 62 1,-0.1 4,-2.5 96,-0.0 5,-0.2 -0.901 81.8-114.1-131.3 163.8 8.1 65.3 16.4 5 5 D I H > S+ 0 0 8 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.879 116.4 54.3 -65.8 -35.4 8.4 61.9 14.7 6 6 D T H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 108.3 47.6 -64.1 -42.2 8.7 63.6 11.2 7 7 D E H > S+ 0 0 90 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.928 114.7 47.4 -65.6 -43.0 11.6 65.8 12.4 8 8 D L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.958 110.3 52.3 -59.1 -47.3 13.3 62.8 13.8 9 9 D a H >< S+ 0 0 2 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.848 102.7 58.3 -63.5 -30.1 12.7 60.7 10.7 10 10 D S H 3< S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.621 88.1 72.4 -83.4 -3.6 14.2 63.2 8.4 11 11 D E T << S+ 0 0 87 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.568 94.5 68.1 -77.1 -3.8 17.6 63.3 10.1 12 12 D Y S X S- 0 0 52 -3,-1.4 3,-0.6 -4,-0.2 2,-0.2 -0.863 83.1-120.3-120.6 151.9 18.3 59.7 8.6 13 13 D R T 3 S+ 0 0 230 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 -0.552 91.9 19.4 -87.1 153.6 18.9 58.6 5.1 14 14 D N T 3 S+ 0 0 96 1,-0.2 75,-2.4 -2,-0.2 76,-0.5 0.797 91.1 127.7 63.2 36.1 16.4 56.0 3.6 15 15 D T E < -A 88 0A 29 -3,-0.6 2,-0.3 73,-0.3 73,-0.3 -0.754 35.9-169.7-114.0 163.7 13.6 56.5 6.0 16 16 D Q E -A 87 0A 76 71,-2.0 71,-3.0 -2,-0.3 2,-0.4 -0.981 21.0-127.6-150.1 149.2 9.9 57.3 5.2 17 17 D I E -A 86 0A 48 -2,-0.3 2,-0.4 69,-0.2 69,-0.2 -0.868 21.8-164.9 -94.6 131.8 6.9 58.3 7.4 18 18 D Y E -A 85 0A 53 67,-2.7 67,-2.0 -2,-0.4 2,-0.6 -0.973 13.1-144.0-108.2 131.1 3.7 56.1 7.0 19 19 D T E +A 84 0A 92 -2,-0.4 65,-0.3 65,-0.2 64,-0.1 -0.882 30.6 164.2 -89.5 128.4 0.5 57.5 8.4 20 20 D I E - 0 0 22 63,-3.3 63,-0.2 -2,-0.6 64,-0.2 0.797 13.4-179.1-105.1 -55.7 -1.3 54.5 9.8 21 21 D N E + 0 0 97 62,-1.3 2,-0.3 61,-0.7 62,-0.2 0.894 54.3 90.8 55.6 48.6 -4.1 55.8 12.1 22 22 D D E S-A 82 0A 23 60,-1.4 60,-3.1 58,-0.1 2,-0.2 -0.965 77.6-100.9-161.2 161.7 -5.2 52.3 12.9 23 23 D K - 0 0 49 -2,-0.3 20,-0.4 58,-0.3 2,-0.3 -0.550 51.5 -87.6 -85.3 162.6 -4.6 49.4 15.4 24 24 D I - 0 0 1 56,-0.5 18,-0.2 -2,-0.2 3,-0.1 -0.519 29.6-161.3 -72.5 134.4 -2.4 46.4 14.5 25 25 D L S S+ 0 0 50 16,-2.4 494,-3.5 -2,-0.3 2,-0.3 0.908 70.8 6.1 -82.9 -48.8 -4.1 43.5 12.8 26 26 D S E -BC 41 518A 18 15,-1.1 15,-1.6 492,-0.3 2,-0.4 -0.987 56.8-157.1-139.5 153.4 -1.6 40.7 13.5 27 27 D Y E -BC 40 517A 0 490,-2.4 490,-2.2 -2,-0.3 2,-0.4 -0.996 9.4-172.8-126.4 128.0 1.5 40.3 15.5 28 28 D T E -BC 39 516A 10 11,-2.4 11,-2.1 -2,-0.4 2,-0.5 -0.994 2.8-170.4-124.1 133.0 4.1 37.5 14.8 29 29 D E E -BC 38 515A 4 486,-2.3 486,-2.3 -2,-0.4 2,-0.4 -0.990 4.1-167.0-127.3 127.8 6.9 36.9 17.1 30 30 D S E +BC 37 514A 5 7,-2.8 7,-0.6 -2,-0.5 484,-0.2 -0.929 25.9 174.6-118.0 132.6 9.9 34.7 16.1 31 31 D M + 0 0 0 482,-2.7 5,-0.2 -2,-0.4 483,-0.2 0.164 42.6 135.6-110.0 15.3 12.6 33.2 18.3 32 32 D A S > S- 0 0 0 481,-0.6 3,-2.8 3,-0.5 -2,-0.1 -0.433 72.2 -88.6 -66.9 131.7 13.9 31.1 15.3 33 33 D G T 3 S+ 0 0 14 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.166 111.6 4.2 -46.7 129.5 17.7 31.3 15.1 34 34 D K T 3 S+ 0 0 167 -3,-0.1 -1,-0.3 1,-0.1 18,-0.1 0.316 124.1 73.5 68.9 0.5 18.8 34.3 13.0 35 35 D R < + 0 0 79 -3,-2.8 2,-1.4 2,-0.1 -3,-0.5 -0.178 52.6 147.9-130.7 44.2 15.2 35.4 12.6 36 36 D E + 0 0 3 -5,-0.2 2,-0.3 17,-0.1 -5,-0.2 -0.629 38.2 121.5 -81.4 95.9 14.5 36.7 16.1 37 37 D M E -B 30 0A 4 -2,-1.4 -7,-2.8 -7,-0.6 2,-0.4 -0.936 58.9-128.2-149.6 169.3 12.0 39.4 15.0 38 38 D V E -BD 29 50A 2 12,-1.0 12,-1.8 -2,-0.3 2,-0.4 -0.977 20.5-165.3-120.7 139.5 8.5 40.7 15.3 39 39 D I E -BD 28 49A 3 -11,-2.1 -11,-2.4 -2,-0.4 2,-0.3 -0.985 6.5-173.1-121.1 134.4 6.4 41.4 12.2 40 40 D I E -BD 27 48A 1 8,-2.1 8,-2.2 -2,-0.4 2,-0.3 -0.932 1.7-168.2-123.5 151.1 3.1 43.5 12.5 41 41 D T E -BD 26 47A 26 -15,-1.6 -16,-2.4 -2,-0.3 -15,-1.1 -0.960 8.7-143.9-135.2 160.2 0.6 44.0 9.7 42 42 D F > - 0 0 1 4,-2.1 3,-2.7 -2,-0.3 -18,-0.1 -0.823 34.2-106.2-118.1 162.5 -2.4 46.4 9.3 43 43 D K T 3 S+ 0 0 159 -20,-0.4 -1,-0.1 1,-0.3 -19,-0.1 0.860 118.6 70.8 -59.5 -29.3 -5.8 45.9 7.6 44 44 D S T 3 S- 0 0 71 1,-0.1 -1,-0.3 -24,-0.1 3,-0.1 0.667 118.3-112.7 -51.6 -19.8 -4.3 48.1 4.8 45 45 D G S < S+ 0 0 57 -3,-2.7 2,-0.2 1,-0.3 -2,-0.1 0.349 71.0 142.4 94.5 -5.0 -2.0 45.1 4.0 46 46 D E - 0 0 67 47,-0.0 -4,-2.1 -4,-0.0 2,-0.4 -0.559 32.3-163.9 -71.7 137.9 1.2 47.0 5.1 47 47 D T E +D 41 0A 28 -6,-0.2 47,-0.7 -2,-0.2 2,-0.3 -0.952 10.1 176.4-122.1 137.3 3.7 44.8 6.9 48 48 D F E -De 40 94A 2 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.3 -0.939 10.0-154.7-135.2 158.9 6.6 46.2 9.0 49 49 D Q E -De 39 95A 11 45,-2.6 47,-2.9 -2,-0.3 2,-0.6 -0.898 21.9-135.2-130.7 162.9 9.3 44.5 11.1 50 50 D V E -D 38 0A 0 -12,-1.8 -12,-1.0 -2,-0.3 47,-0.1 -0.992 50.4-127.0-107.6 115.5 11.6 45.2 14.0 51 51 D E - 0 0 10 -2,-0.6 3,-0.1 45,-0.2 -16,-0.1 -0.226 17.6 -92.1 -70.4 159.3 14.7 43.8 12.6 52 52 D V - 0 0 31 -18,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.440 49.4-101.9 -63.6 131.3 17.1 41.3 14.0 53 53 D P + 0 0 35 0, 0.0 2,-0.2 0, 0.0 -17,-0.1 -0.422 68.0 136.0 -56.4 135.6 20.0 42.8 16.0 54 54 D G > - 0 0 32 -2,-0.1 3,-0.9 4,-0.1 -3,-0.0 -0.796 66.1 -57.8-165.4-165.3 22.9 42.7 13.7 55 55 D S T 3 S+ 0 0 123 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.851 115.6 69.2 -72.6 -43.6 25.9 44.8 12.5 56 56 D Q T 3 S+ 0 0 115 2,-0.0 2,-0.5 -3,-0.0 -1,-0.3 0.333 90.3 88.2 -51.0 0.4 24.0 47.8 11.1 57 57 D H S < S- 0 0 10 -3,-0.9 2,-0.2 80,-0.0 5,-0.0 -0.930 74.0-135.0-114.6 133.8 23.1 48.7 14.7 58 58 D I >> - 0 0 60 -2,-0.5 3,-1.5 1,-0.1 4,-0.8 -0.437 35.3-104.3 -79.0 154.8 25.1 50.7 17.1 59 59 D D T >4 S+ 0 0 150 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.867 119.6 56.3 -47.3 -39.7 25.5 49.2 20.7 60 60 D S T 3> S+ 0 0 47 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.776 96.6 63.7 -71.1 -25.3 22.9 51.7 22.0 61 61 D Q H <> S+ 0 0 10 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.806 85.1 76.3 -71.6 -22.1 20.2 50.6 19.6 62 62 D K H S+ 0 0 29 -4,-0.5 4,-2.4 -3,-0.4 -1,-0.3 0.847 113.7 55.3 -75.3 -26.1 18.1 48.1 24.2 64 64 D A H X S+ 0 0 5 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.853 104.2 53.6 -73.1 -31.0 15.9 50.3 22.0 65 65 D I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.947 110.2 47.8 -63.2 -45.6 15.2 47.3 19.8 66 66 D E H X S+ 0 0 16 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.940 111.5 49.7 -65.2 -44.1 14.0 45.3 22.8 67 67 D R H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.913 108.2 53.3 -60.5 -41.3 11.9 48.2 24.0 68 68 D M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.876 107.4 50.9 -63.6 -36.3 10.2 48.6 20.6 69 69 D K H X S+ 0 0 11 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 110.8 50.1 -69.6 -35.4 9.3 44.9 20.6 70 70 D D H X S+ 0 0 13 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.936 110.9 48.7 -63.6 -45.6 7.8 45.4 24.0 71 71 D T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.930 110.7 50.4 -60.8 -45.5 5.8 48.5 22.8 72 72 D L H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.879 109.7 50.3 -65.8 -32.1 4.5 46.6 19.7 73 73 D R H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.955 115.2 41.4 -71.3 -46.0 3.2 43.7 21.8 74 74 D I H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 6,-0.3 0.892 113.3 54.4 -73.4 -32.5 1.3 45.8 24.4 75 75 D T H <>S+ 0 0 1 -4,-2.7 5,-1.4 -5,-0.2 4,-0.5 0.946 111.3 45.5 -60.9 -45.0 -0.0 48.1 21.6 76 76 D Y H ><5S+ 0 0 10 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.941 113.3 49.5 -63.0 -44.9 -1.4 45.1 19.7 77 77 D L H 3<5S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.825 115.4 41.3 -69.5 -32.5 -3.0 43.6 22.8 78 78 D T T 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.407 106.0-126.9 -92.1 3.4 -4.7 46.7 24.0 79 79 D E T < 5 + 0 0 103 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.1 0.727 45.3 170.9 54.0 34.2 -5.8 47.6 20.4 80 80 D T < - 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0 0 35 -24,-1.8 4,-2.3 -2,-0.2 5,-0.3 -0.671 27.5-178.7-100.6 90.6 -12.8 42.4 38.1 664 147 A D H > S+ 0 0 45 -2,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.878 73.5 44.9 -56.6 -54.9 -13.7 41.1 41.5 665 148 A R H > S+ 0 0 34 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.912 113.6 51.7 -60.9 -40.2 -11.2 42.8 43.7 666 149 A Y H >> S+ 0 0 26 1,-0.2 4,-0.7 2,-0.1 3,-0.6 0.977 117.7 35.0 -66.7 -51.1 -11.6 46.1 42.1 667 150 A Y H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.683 95.4 90.6 -77.9 -11.7 -15.4 46.3 42.3 668 151 A R H 3< S+ 0 0 109 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.806 99.2 26.7 -54.8 -40.1 -15.6 44.5 45.7 669 152 A N H << S+ 0 0 101 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.887 99.5 104.7 -88.8 -37.1 -15.5 47.6 47.9 670 153 A L < - 0 0 34 -4,-0.7 2,-0.2 1,-0.1 -63,-0.2 0.106 44.9-174.0 -58.6 153.4 -16.9 50.2 45.5 671 154 A N - 0 0 101 1,-0.1 -60,-0.2 -65,-0.1 -1,-0.1 -0.812 34.4 -67.1-139.0 173.3 -20.2 51.7 45.7 672 155 A I - 0 0 36 -2,-0.2 -60,-0.2 1,-0.1 -1,-0.1 -0.198 63.9 -89.3 -61.7 156.0 -22.5 54.1 43.8 673 156 A A - 0 0 5 -62,-2.8 -60,-0.5 -65,-0.5 -1,-0.1 -0.480 47.7-108.7 -64.7 137.2 -21.6 57.7 43.6 674 157 A P >> - 0 0 61 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.493 26.1-115.7 -65.1 144.4 -22.9 59.8 46.5 675 158 A A H >> S+ 0 0 14 1,-0.3 4,-1.6 2,-0.2 3,-1.3 0.843 112.1 70.6 -52.3 -31.2 -25.8 62.2 45.6 676 159 A E H 34 S+ 0 0 110 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.826 98.8 47.0 -56.6 -35.0 -23.5 65.1 46.5 677 160 A D H <4 S+ 0 0 65 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.665 112.1 49.8 -84.7 -16.3 -21.4 64.4 43.5 678 161 A G H XX S+ 0 0 0 -3,-1.3 3,-2.0 -4,-0.7 4,-0.5 0.712 85.9 83.1 -94.8 -16.2 -24.3 64.1 41.1 679 162 A Y G >< S+ 0 0 38 -4,-1.6 3,-1.3 1,-0.3 4,-0.2 0.893 93.3 50.2 -56.4 -37.5 -26.2 67.3 42.0 680 163 A R G 34 S+ 0 0 74 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.667 112.4 50.4 -68.6 -19.1 -23.9 69.3 39.7 681 164 A L G <4 S+ 0 0 0 -3,-2.0 -123,-0.9 1,-0.1 -1,-0.3 0.367 74.1 107.9 -99.7 -0.6 -24.7 66.7 37.0 682 165 A A << - 0 0 0 -3,-1.3 -123,-2.3 -4,-0.5 -122,-0.2 0.821 67.2-148.2 -55.3 -36.0 -28.5 66.7 37.3 683 166 A G + 0 0 1 -4,-0.2 -123,-0.2 -3,-0.2 -1,-0.1 0.656 31.1 164.7 82.7 11.0 -29.0 68.5 33.9 684 167 A F - 0 0 0 1,-0.1 -1,-0.2 -125,-0.1 -126,-0.0 -0.336 50.9 -94.1 -56.9 143.9 -32.2 70.4 34.7 685 168 A P > - 0 0 41 0, 0.0 3,-2.3 0, 0.0 6,-0.3 -0.224 41.0-103.1 -61.7 159.6 -32.7 73.2 32.1 686 169 A P T 3 S+ 0 0 26 0, 0.0 19,-2.7 0, 0.0 -2,-0.1 0.732 120.9 49.6 -61.3 -24.1 -31.3 76.6 33.2 687 170 A D T 3 S+ 0 0 114 17,-0.1 2,-0.2 3,-0.0 17,-0.1 0.300 80.8 125.0 -94.0 3.8 -34.7 78.0 34.1 688 171 A H X - 0 0 29 -3,-2.3 3,-1.0 1,-0.1 4,-0.3 -0.467 67.0-128.4 -72.6 141.4 -35.8 75.0 36.2 689 172 A Q G > S+ 0 0 142 1,-0.2 3,-2.0 2,-0.2 4,-0.4 0.828 102.3 73.4 -55.6 -35.3 -37.0 75.9 39.7 690 173 A A G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 7,-0.3 0.902 86.5 60.6 -46.7 -44.6 -34.6 73.2 41.1 691 174 A W G < S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.611 105.9 48.9 -58.7 -14.4 -31.4 75.3 40.4 692 175 A R G < S+ 0 0 130 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.3 0.427 108.7 66.2-108.3 1.2 -32.8 78.0 42.7 693 176 A E S <> S- 0 0 53 -3,-2.3 4,-2.2 -4,-0.4 5,-0.2 -0.778 89.5 -49.2-126.0 166.4 -33.6 75.6 45.5 694 177 A E T 4 S+ 0 0 134 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.581 110.3 9.0 -72.9 135.9 -31.9 73.3 47.9 695 178 A P T >4 S+ 0 0 38 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 -0.991 126.3 50.4 -92.3 -8.2 -29.7 71.2 47.4 696 179 A W G >4 S+ 0 0 7 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.739 95.7 72.5 -63.0 -27.9 -28.9 71.9 43.7 697 180 A I G >< S+ 0 0 63 -4,-2.2 3,-1.2 -7,-0.3 -1,-0.3 0.899 95.9 51.9 -52.1 -44.6 -28.4 75.7 44.3 698 181 A H G < S+ 0 0 120 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.362 118.3 37.3 -75.8 2.7 -25.2 75.0 46.1 699 182 A H G < S+ 0 0 66 -3,-2.2 -1,-0.2 -20,-0.1 -2,-0.2 0.132 81.9 143.6-138.1 14.9 -24.0 72.9 43.1 700 183 A A < - 0 0 37 -3,-1.2 3,-0.1 -4,-0.2 -20,-0.1 -0.429 44.8-130.3 -71.8 122.9 -25.4 74.9 40.1 701 184 A P > - 0 0 13 0, 0.0 3,-1.7 0, 0.0 2,-0.4 -0.018 43.6 -67.4 -58.1 171.9 -23.2 75.0 37.0 702 185 A Q T 3 S+ 0 0 138 1,-0.3 11,-0.3 7,-0.2 12,-0.1 -0.497 123.8 14.9 -68.1 118.6 -22.3 78.2 35.1 703 186 A G T 3 S+ 0 0 38 -2,-0.4 7,-0.6 1,-0.3 2,-0.4 0.597 96.8 112.1 97.1 13.3 -25.4 79.5 33.6 704 187 A f < 0 0 10 -3,-1.7 -1,-0.3 6,-0.1 -17,-0.1 -0.959 360.0 360.0-113.8 131.3 -28.0 77.5 35.5 705 188 A G 0 0 63 -19,-2.7 -13,-0.1 -2,-0.4 -16,-0.0 -0.355 360.0 360.0 65.2 360.0 -30.4 79.3 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 4,-1.3 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0-123.5 -28.5 79.5 29.3 708 197 C D H 3> + 0 0 112 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.927 360.0 63.2 -59.3 -35.6 -26.7 77.6 26.5 709 198 C T H 3> S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.820 96.4 56.3 -54.4 -31.6 -23.8 77.7 29.1 710 199 C f H <> S+ 0 0 0 -3,-1.3 4,-2.0 -7,-0.6 -1,-0.2 0.940 113.0 38.5 -73.7 -42.5 -25.9 75.6 31.5 711 200 C N H X S+ 0 0 66 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.856 118.9 47.4 -78.2 -30.6 -26.4 72.8 29.1 712 201 C E H X S+ 0 0 116 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.962 112.8 49.6 -70.2 -48.3 -22.8 73.0 27.7 713 202 C E H X S+ 0 0 57 -4,-2.8 4,-3.1 -11,-0.3 5,-0.3 0.887 110.4 51.5 -53.1 -45.2 -21.4 73.1 31.2 714 203 C T H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.932 112.5 44.9 -60.9 -42.1 -23.6 70.1 32.1 715 204 C Q H X S+ 0 0 32 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.885 115.1 49.3 -72.0 -29.8 -22.3 68.1 29.1 716 205 C N H X S+ 0 0 75 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.893 111.9 44.4 -76.6 -42.3 -18.8 69.2 29.9 717 206 C L H X S+ 0 0 43 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.883 114.8 52.6 -72.4 -31.5 -18.8 68.3 33.6 718 207 C S H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.921 108.8 47.8 -65.2 -49.5 -20.5 65.0 32.7 719 208 C T H X S+ 0 0 19 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.877 111.6 51.1 -60.2 -35.4 -17.8 64.1 30.0 720 209 C I H X S+ 0 0 79 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.953 110.4 47.9 -71.2 -44.4 -15.0 65.0 32.5 721 210 C Y H X S+ 0 0 36 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.927 115.5 47.1 -57.8 -45.0 -16.6 62.7 35.1 722 211 C L H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.942 109.8 52.1 -62.0 -48.2 -16.9 60.0 32.3 723 212 C R H X S+ 0 0 68 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.871 110.1 49.6 -55.3 -40.2 -13.2 60.4 31.1 724 213 C E H X S+ 0 0 89 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.908 110.6 47.5 -68.8 -42.0 -11.8 60.0 34.5 725 214 C Y H X S+ 0 0 17 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.889 109.3 56.4 -67.6 -39.1 -13.9 56.8 35.2 726 215 C Q H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.827 103.9 52.7 -61.3 -28.8 -12.7 55.4 31.8 727 216 C S H X S+ 0 0 11 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.920 106.5 52.8 -75.0 -40.2 -9.0 55.9 32.8 728 217 C K H X S+ 0 0 41 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.898 110.3 48.7 -60.1 -36.0 -9.7 53.9 36.0 729 218 C V H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 3,-0.4 0.927 111.7 47.9 -71.0 -42.9 -11.2 51.1 33.8 730 219 C K H X>S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 5,-0.6 0.891 107.4 57.2 -65.0 -38.1 -8.1 51.3 31.4 731 220 C R H <5S+ 0 0 4 -4,-2.9 4,-0.4 -549,-0.4 -1,-0.2 0.825 112.2 43.4 -58.2 -30.9 -5.8 51.1 34.5 732 221 C Q H <5S+ 0 0 11 -4,-1.2 4,-0.5 -3,-0.4 -2,-0.2 0.964 122.2 33.2 -76.6 -59.9 -7.6 47.8 35.4 733 222 C I H ><5S+ 0 0 42 -4,-2.5 3,-0.7 1,-0.2 -3,-0.2 0.869 120.2 47.1 -73.7 -30.6 -7.8 46.1 32.1 734 223 C F G ><5S+ 0 0 19 -4,-2.6 3,-2.0 -5,-0.2 4,-0.4 0.810 98.6 68.5 -82.6 -27.0 -4.5 47.3 30.4 735 224 C S G > - 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.859 27.6-171.5 -91.5 104.2 15.0 43.2 33.8 743 232 C I H > S+ 0 0 3 -2,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.851 77.3 56.4 -71.5 -36.6 16.7 46.5 33.4 744 233 C Y H 4 S+ 0 0 74 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.952 109.4 45.7 -65.0 -42.7 20.1 45.1 34.5 745 234 C N H 4 S+ 0 0 74 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.970 116.1 44.8 -64.9 -47.1 20.1 42.5 31.8 746 235 C R H < 0 0 25 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 360.0 360.0 -72.6 -26.0 18.9 44.9 29.0 747 236 C I < 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.628 360.0 360.0 -86.9 360.0 21.4 47.7 30.0