==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-MAR-01 1GIQ . COMPND 2 MOLECULE: IOTA TOXIN COMPONENT IA; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR H.TSUGE,M.NAGAHAMA,H.NISHIMURA,J.HISATSUNE,Y.SAKAGUCHI, . 822 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 18.4 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 1 1 0 0 2 6 4 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 6 2 0 6 0 1 3 0 0 4 2 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 2 0 2 0 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 3 A I 0 0 158 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.8 -37.9 -8.0 41.1 2 4 A E + 0 0 178 15,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.226 360.0 85.3 -89.6 43.8 -35.0 -8.1 43.6 3 5 A R - 0 0 29 -2,-0.6 11,-0.0 14,-0.0 2,-0.0 -0.977 69.9-134.1-148.9 132.0 -34.2 -4.4 43.0 4 6 A P - 0 0 70 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.322 26.9-121.2 -74.1 167.7 -35.6 -1.1 44.5 5 7 A E S S+ 0 0 111 1,-0.3 83,-2.2 82,-0.1 2,-0.3 0.710 102.7 21.8 -81.0 -20.5 -36.4 1.7 42.1 6 8 A D - 0 0 34 81,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.917 60.8-161.6-150.4 116.7 -33.9 3.9 44.0 7 9 A F > - 0 0 17 132,-0.8 3,-2.0 81,-0.3 7,-0.1 0.583 29.7-169.6 -74.1 -9.2 -31.0 2.7 46.1 8 10 A L T 3 - 0 0 103 1,-0.3 133,-2.8 131,-0.2 -1,-0.2 -0.296 64.7 -19.7 55.6-129.9 -30.8 6.1 47.8 9 11 A K T 3 S+ 0 0 149 131,-0.2 2,-2.1 -3,-0.1 -1,-0.3 0.501 103.7 114.2 -88.1 -2.9 -27.6 6.3 49.9 10 12 A D <> + 0 0 55 -3,-2.0 4,-1.8 1,-0.2 5,-0.1 -0.437 32.9 164.5 -73.8 81.0 -27.1 2.6 50.2 11 13 A K H > + 0 0 71 -2,-2.1 4,-2.9 1,-0.2 5,-0.3 0.938 68.7 56.2 -60.6 -53.0 -23.9 2.2 48.2 12 14 A E H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 112.8 39.9 -49.4 -50.4 -23.0 -1.3 49.4 13 15 A N H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 113.1 56.4 -70.5 -34.6 -26.3 -2.9 48.3 14 16 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.935 110.9 43.7 -61.5 -45.9 -26.3 -0.8 45.1 15 17 A I H X S+ 0 0 47 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.900 111.6 53.8 -66.7 -41.9 -22.8 -2.2 44.1 16 18 A Q H X S+ 0 0 113 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.907 111.6 44.6 -60.9 -42.7 -23.7 -5.7 45.1 17 19 A W H X S+ 0 0 49 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.929 116.9 45.0 -67.7 -44.9 -26.8 -5.8 42.9 18 20 A E H X S+ 0 0 5 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.783 104.9 61.7 -70.9 -27.6 -25.0 -4.2 40.0 19 21 A K H X S+ 0 0 64 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.905 110.0 41.8 -64.2 -40.7 -21.9 -6.3 40.2 20 22 A K H X S+ 0 0 112 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.909 112.8 53.1 -71.2 -43.7 -24.1 -9.4 39.6 21 23 A E H X S+ 0 0 32 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.884 106.3 54.5 -59.0 -40.3 -26.1 -7.7 36.9 22 24 A A H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.943 108.2 48.0 -59.2 -49.3 -22.9 -6.8 35.1 23 25 A E H X S+ 0 0 79 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.895 112.3 50.7 -58.7 -41.5 -21.8 -10.4 35.0 24 26 A R H >< S+ 0 0 107 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.966 112.5 44.7 -61.1 -54.3 -25.2 -11.4 33.7 25 27 A V H >< S+ 0 0 4 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.856 102.4 63.7 -60.1 -41.7 -25.2 -8.9 30.9 26 28 A E H >< S+ 0 0 99 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.755 96.1 61.2 -57.4 -24.4 -21.7 -9.4 29.7 27 29 A K T << S+ 0 0 160 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.537 100.9 54.6 -79.3 -6.5 -22.6 -13.0 28.8 28 30 A N T < S+ 0 0 94 -3,-2.6 2,-0.3 -4,-0.2 -1,-0.2 0.194 88.9 103.3-109.6 12.9 -25.2 -11.6 26.3 29 31 A L < - 0 0 21 -3,-1.0 2,-0.1 -4,-0.1 48,-0.0 -0.760 65.4-130.4-101.4 144.4 -22.7 -9.4 24.4 30 32 A D > - 0 0 95 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.414 31.9-103.0 -84.5 164.9 -21.2 -10.2 21.0 31 33 A T H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.884 124.1 49.1 -54.1 -42.4 -17.5 -10.0 20.2 32 34 A L H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.918 110.8 49.1 -64.8 -45.1 -18.0 -6.7 18.5 33 35 A E H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.922 113.0 47.2 -60.9 -45.1 -20.0 -5.2 21.4 34 36 A K H X S+ 0 0 38 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.905 109.7 55.6 -61.7 -41.8 -17.3 -6.4 23.8 35 37 A E H X S+ 0 0 106 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.949 109.8 44.5 -53.6 -54.1 -14.8 -4.9 21.5 36 38 A A H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.889 111.4 53.3 -59.8 -42.8 -16.5 -1.5 21.6 37 39 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 107.5 51.3 -61.2 -42.0 -16.9 -1.7 25.4 38 40 A E H < S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 110.5 49.2 -63.4 -36.8 -13.2 -2.4 25.9 39 41 A L H >X S+ 0 0 47 -4,-1.8 4,-1.2 -5,-0.2 3,-0.5 0.838 110.2 52.5 -70.5 -32.9 -12.4 0.7 23.7 40 42 A Y H >< S+ 0 0 2 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.949 105.1 51.8 -67.0 -51.2 -14.9 2.8 25.8 41 43 A K T 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.519 115.4 46.1 -65.6 -2.5 -13.4 1.9 29.1 42 44 A K T <4 S+ 0 0 151 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.610 131.6 12.3-111.4 -22.5 -10.0 2.9 27.6 43 45 A D + 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.847 69.3 67.4 -69.3 -37.4 -14.5 7.5 27.0 45 47 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 104.8 38.5 -49.0 -61.1 -13.8 11.1 26.1 46 48 A Q H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 118.1 46.3 -58.5 -56.5 -13.5 10.7 22.3 47 49 A I H X S+ 0 0 2 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.885 114.7 48.7 -57.2 -41.4 -16.3 8.2 21.8 48 50 A S H X S+ 0 0 18 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.927 110.3 49.8 -66.3 -45.2 -18.6 10.2 24.1 49 51 A N H >X S+ 0 0 96 -4,-2.4 4,-0.8 -5,-0.3 3,-0.8 0.901 111.9 50.5 -59.7 -39.8 -17.9 13.5 22.3 50 52 A Y H >X S+ 0 0 21 -4,-2.5 4,-1.9 1,-0.2 3,-1.0 0.917 103.2 57.5 -64.2 -44.8 -18.5 11.7 19.0 51 53 A S H 3< S+ 0 0 2 -4,-2.3 82,-0.3 1,-0.2 -1,-0.2 0.639 104.8 55.6 -62.4 -13.1 -21.9 10.3 20.1 52 54 A Q H << S+ 0 0 78 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.756 121.9 20.2 -91.4 -25.7 -23.0 13.9 20.8 53 55 A T H X< S+ 0 0 34 -3,-1.0 3,-1.7 -4,-0.8 4,-0.2 0.377 87.2 107.3-125.7 2.0 -22.4 15.4 17.4 54 56 A R G >< S+ 0 0 11 -4,-1.9 3,-0.9 1,-0.3 -3,-0.1 0.805 73.4 62.9 -51.9 -36.8 -22.2 12.5 14.9 55 57 A Q G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.541 87.6 70.7 -72.9 -5.6 -25.6 13.3 13.3 56 58 A Y G < S+ 0 0 0 -3,-1.7 -1,-0.2 286,-0.2 -2,-0.1 0.495 81.0 82.6 -93.2 -2.3 -24.8 16.7 11.9 57 59 A F S < S- 0 0 35 -3,-0.9 286,-1.0 -4,-0.2 2,-0.1 -0.265 93.5 -72.1 -92.5-179.5 -22.4 15.8 9.1 58 60 A Y > - 0 0 69 284,-0.2 4,-2.3 1,-0.1 -1,-0.2 -0.395 42.1-117.7 -67.6 153.4 -23.2 14.6 5.5 59 61 A D H > S+ 0 0 109 284,-0.4 4,-2.0 1,-0.2 5,-0.2 0.885 118.8 56.0 -58.6 -36.0 -24.6 11.1 5.3 60 62 A Y H > S+ 0 0 150 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.899 107.3 47.1 -62.4 -42.9 -21.4 10.3 3.3 61 63 A Q H 4 S+ 0 0 59 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.892 109.1 54.6 -67.3 -41.4 -19.2 11.5 6.1 62 64 A I H >< S+ 0 0 11 -4,-2.3 3,-1.3 1,-0.2 6,-0.2 0.938 105.4 51.4 -59.0 -49.5 -21.0 9.6 8.8 63 65 A E H 3< S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 115.2 42.2 -60.0 -32.3 -20.7 6.2 7.0 64 66 A S T 3< S+ 0 0 70 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.342 83.6 116.0 -98.6 6.5 -16.9 6.6 6.6 65 67 A N X> - 0 0 40 -3,-1.3 3,-1.4 -4,-0.5 4,-0.6 -0.633 64.7-137.5 -78.3 129.1 -16.1 8.0 10.0 66 68 A P H >> S+ 0 0 85 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.865 101.5 54.2 -51.6 -42.2 -13.8 5.6 12.0 67 69 A R H 3> S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.663 87.7 80.4 -70.4 -16.9 -15.8 6.1 15.2 68 70 A E H <> S+ 0 0 16 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.886 90.3 51.8 -58.6 -40.9 -19.1 5.2 13.6 69 71 A K H < S+ 0 0 5 -4,-1.9 3,-1.4 1,-0.2 86,-0.6 0.972 111.0 46.6 -68.3 -58.2 -26.9 -0.7 25.6 79 81 A S H 3< S+ 0 0 46 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.572 100.3 77.1 -62.5 -5.8 -30.3 -1.0 23.9 80 82 A K H 3< S+ 0 0 99 -4,-0.6 2,-0.9 1,-0.2 -1,-0.3 0.899 92.4 48.8 -70.5 -43.2 -29.7 -4.7 24.4 81 83 A N S << S- 0 0 22 -3,-1.4 83,-2.2 -4,-0.7 2,-0.4 -0.756 72.5-178.0-105.5 87.8 -30.5 -4.7 28.1 82 84 A K B -A 163 0A 111 -2,-0.9 81,-0.2 -3,-0.3 79,-0.1 -0.687 30.1-117.6 -84.1 132.9 -33.7 -2.8 28.7 83 85 A I - 0 0 6 79,-2.2 79,-0.1 -2,-0.4 -1,-0.1 -0.418 9.7-145.4 -72.0 145.2 -34.7 -2.5 32.4 84 86 A D S S+ 0 0 97 -2,-0.1 -1,-0.1 77,-0.1 77,-0.1 0.753 83.7 26.8 -81.0 -26.8 -37.9 -4.2 33.5 85 87 A K S S- 0 0 80 74,-0.1 77,-0.1 75,-0.1 -1,-0.1 -0.932 96.3 -88.3-133.5 157.2 -38.7 -1.5 36.1 86 88 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 74,-0.1 -0.145 42.2-167.7 -60.3 160.5 -37.9 2.2 36.4 87 89 A I E -B 158 0B 0 71,-1.6 71,-3.3 -4,-0.1 2,-0.4 -0.989 16.9-133.5-150.7 146.8 -34.7 3.2 38.2 88 90 A N E -B 157 0B 25 -83,-2.2 -81,-0.3 -2,-0.3 2,-0.3 -0.867 24.9-166.5-103.5 136.2 -33.3 6.5 39.5 89 91 A V E -B 156 0B 0 67,-3.1 67,-1.9 -2,-0.4 2,-0.4 -0.777 7.9-146.1-118.7 166.5 -29.7 7.4 38.7 90 92 A Y E +BC 155 138B 1 48,-2.7 48,-2.7 -2,-0.3 2,-0.3 -0.994 23.3 156.4-134.0 137.0 -27.2 10.0 40.0 91 93 A Y E -B 154 0B 11 63,-1.7 63,-3.4 -2,-0.4 2,-0.4 -0.984 36.6-117.8-159.5 149.6 -24.5 11.9 38.2 92 94 A F E -B 153 0B 35 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.715 33.5-173.4 -89.2 138.9 -22.5 15.1 38.6 93 95 A E E -B 152 0B 20 59,-2.2 59,-0.5 -2,-0.4 -2,-0.0 -0.894 28.3-110.3-130.2 159.5 -22.8 17.7 35.9 94 96 A S > - 0 0 32 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.736 25.1-132.5 -87.3 136.4 -21.2 21.0 35.0 95 97 A P G > >S+ 0 0 9 0, 0.0 5,-2.0 0, 0.0 3,-1.7 0.782 104.5 69.9 -59.0 -25.9 -23.5 23.9 35.5 96 98 A E G > 5S+ 0 0 96 1,-0.3 3,-2.0 3,-0.2 5,-0.1 0.790 83.4 71.3 -62.5 -26.9 -22.4 25.2 32.1 97 99 A K G < 5S+ 0 0 45 -3,-1.7 -1,-0.3 1,-0.3 4,-0.1 0.786 103.2 42.7 -58.9 -26.8 -24.3 22.2 30.6 98 100 A F G < 5S- 0 0 2 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.091 125.5 -98.8-109.3 23.8 -27.5 24.1 31.6 99 101 A A T < 5S+ 0 0 16 -3,-2.0 2,-1.2 1,-0.2 -3,-0.2 0.625 83.7 131.7 71.1 13.7 -26.4 27.6 30.5 100 102 A F < - 0 0 3 -5,-2.0 2,-0.8 -6,-0.1 -1,-0.2 -0.791 33.3-178.3 -96.2 91.4 -25.3 28.6 34.0 101 103 A N + 0 0 87 -2,-1.2 2,-0.3 -5,-0.1 -1,-0.1 -0.217 51.3 77.6 -87.9 46.0 -21.9 30.0 33.0 102 104 A K S S- 0 0 108 -2,-0.8 2,-0.4 14,-0.0 3,-0.1 -0.879 85.9 -91.5-142.2 171.3 -20.9 30.9 36.6 103 105 A E - 0 0 130 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.751 15.7-158.2 -93.4 136.4 -19.6 29.1 39.7 104 106 A I S S- 0 0 8 -2,-0.4 9,-0.4 1,-0.4 2,-0.3 0.907 78.9 -36.1 -72.6 -43.2 -22.1 27.8 42.3 105 107 A R - 0 0 15 7,-0.1 -1,-0.4 -3,-0.1 7,-0.1 -0.914 69.0 -96.9-173.3 153.8 -19.2 27.9 44.8 106 108 A T - 0 0 31 -2,-0.3 3,-0.2 -3,-0.1 0, 0.0 -0.282 40.4-105.3 -75.8 167.8 -15.5 27.2 44.8 107 109 A E S S+ 0 0 133 1,-0.2 -1,-0.1 3,-0.0 43,-0.0 0.685 120.3 50.9 -67.3 -17.0 -14.1 23.8 45.9 108 110 A N S S+ 0 0 97 531,-0.1 -1,-0.2 673,-0.0 531,-0.1 0.783 91.8 83.9 -91.2 -31.1 -13.0 25.4 49.2 109 111 A Q - 0 0 19 -3,-0.2 531,-0.1 1,-0.1 -4,-0.0 -0.372 59.2-161.6 -69.7 153.5 -16.2 27.0 50.2 110 112 A N + 0 0 47 86,-0.1 87,-3.0 -2,-0.0 2,-0.3 0.648 67.0 59.4-108.4 -23.5 -18.7 24.8 52.0 111 113 A E - 0 0 76 85,-0.2 2,-0.5 528,-0.0 532,-0.1 -0.725 67.8-138.9-111.1 158.5 -21.9 26.9 51.6 112 114 A I - 0 0 5 -2,-0.3 -7,-0.1 -7,-0.1 -8,-0.1 -0.970 30.0-122.5-116.1 121.7 -23.8 28.2 48.6 113 115 A S > - 0 0 20 -2,-0.5 4,-1.9 -9,-0.4 5,-0.1 -0.099 14.8-119.5 -62.6 160.0 -25.2 31.7 48.8 114 116 A L H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.885 114.1 53.2 -65.8 -40.4 -28.8 32.7 48.5 115 117 A E H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 109.8 46.9 -61.9 -46.3 -28.1 34.8 45.5 116 118 A K H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 112.1 50.7 -62.9 -40.9 -26.3 32.0 43.6 117 119 A F H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.885 112.2 46.2 -65.4 -41.3 -29.1 29.5 44.4 118 120 A N H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.882 112.1 50.8 -69.9 -38.9 -31.8 31.9 43.2 119 121 A E H X S+ 0 0 64 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.871 113.0 45.9 -66.8 -37.4 -29.9 32.7 40.0 120 122 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.919 111.3 53.2 -69.6 -43.0 -29.3 29.0 39.3 121 123 A K H < S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.0 45.8 -57.1 -46.3 -33.0 28.3 40.0 122 124 A E H >< S+ 0 0 139 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.769 112.8 51.6 -70.2 -27.1 -34.1 31.0 37.5 123 125 A T H 3< S+ 0 0 36 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 120.5 30.8 -78.6 -38.7 -31.7 29.8 34.9 124 126 A I T 3< S+ 0 0 3 -4,-2.4 3,-0.2 -5,-0.1 -1,-0.2 -0.181 95.9 106.3-113.2 40.4 -32.7 26.2 35.0 125 127 A Q S < S+ 0 0 107 -3,-0.5 2,-1.3 1,-0.2 60,-0.4 0.902 86.6 7.0 -81.3 -95.1 -36.3 26.7 35.9 126 128 A D S S+ 0 0 106 -4,-0.2 2,-0.3 58,-0.1 -1,-0.2 -0.571 99.6 116.3 -93.8 72.8 -38.9 26.1 33.1 127 129 A K - 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