==== 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 TOXIN 21-OCT-99 1QNU . COMPND 2 MOLECULE: SHIGA-LIKE TOXIN I B SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PHAGE H30; . AUTHOR N.S.PANNU,K.HAYAKAWA,R.J.READ . 345 5 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 87.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 42.0 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 55 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 5 5 15 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 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 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 1 101 A T 0 0 81 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.0 20.5 12.4 17.6 2 102 A P - 0 0 68 0, 0.0 52,-1.4 0, 0.0 2,-0.1 -0.344 360.0-101.5 -72.4 150.1 20.0 14.6 20.7 3 103 A D E +A 53 0A 99 50,-0.2 50,-0.2 1,-0.2 3,-0.1 -0.395 36.7 179.1 -64.6 144.8 16.9 14.6 22.9 4 104 A a E - 0 0 23 48,-2.5 2,-0.3 1,-0.4 49,-0.2 0.737 61.5 -7.1-112.5 -58.9 14.7 17.6 22.2 5 105 A V E -A 52 0A 13 47,-1.3 47,-2.7 20,-0.1 -1,-0.4 -0.991 52.6-164.1-143.6 149.4 11.7 17.2 24.5 6 106 A T E +A 51 0A 80 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.994 42.7 81.7-131.2 136.4 10.3 14.5 26.9 7 107 A G E S-A 50 0A 18 43,-2.3 43,-3.0 -2,-0.4 2,-0.2 -0.974 74.8 -46.1 160.4-172.8 6.8 14.5 28.2 8 108 A K E -A 49 0A 126 -2,-0.3 17,-0.7 41,-0.2 2,-0.5 -0.575 62.9 -98.7 -86.5 153.1 3.1 13.5 27.6 9 109 A V E -G 24 0B 17 39,-0.6 15,-0.2 34,-0.2 3,-0.1 -0.613 33.6-171.9 -74.0 119.1 1.5 14.4 24.3 10 110 A E E - 0 0 104 13,-3.1 2,-0.3 -2,-0.5 -1,-0.2 0.889 65.8 -27.9 -79.1 -42.8 -0.6 17.5 24.8 11 111 A Y E -G 23 0B 28 12,-0.9 12,-2.4 338,-0.1 -1,-0.3 -0.973 54.6-144.7-163.9 164.1 -2.3 17.4 21.3 12 112 A T E -GH 22 348B 0 336,-1.5 336,-3.0 -2,-0.3 2,-0.4 -0.919 12.0-159.2-131.3 159.4 -1.7 16.1 17.8 13 113 A K E -GH 21 347B 25 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.989 14.4-141.8-146.2 132.5 -2.8 17.6 14.5 14 114 A Y E -GH 20 346B 0 332,-2.4 332,-1.0 -2,-0.4 6,-0.2 -0.818 31.5-145.6 -90.5 129.2 -3.2 16.2 11.0 15 115 A N > - 0 0 22 4,-2.6 3,-2.0 -2,-0.5 332,-0.0 -0.579 21.3-113.6 -98.9 160.6 -2.0 18.7 8.4 16 116 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 329,-0.0 0.770 117.6 53.6 -61.6 -26.4 -3.2 19.6 4.9 17 117 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 327,-0.0 3,-0.1 0.249 122.2-105.9 -93.0 13.7 0.0 18.2 3.4 18 118 A D S < S+ 0 0 42 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.626 80.8 127.6 72.5 14.9 -0.5 14.9 5.2 19 119 A T - 0 0 18 18,-0.0 -4,-2.6 11,-0.0 2,-0.4 -0.494 54.7-128.3 -91.1 172.8 2.3 15.5 7.8 20 120 A F E -GI 14 31B 1 11,-2.2 11,-2.4 -6,-0.2 2,-0.4 -0.986 14.5-154.6-130.0 132.5 1.5 15.2 11.5 21 121 A T E -GI 13 30B 16 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.4 -0.841 9.5-171.0-108.2 143.6 2.1 17.7 14.2 22 122 A V E -GI 12 29B 0 7,-3.2 7,-2.7 -2,-0.4 2,-0.6 -0.985 14.8-149.0-134.2 142.9 2.6 16.9 17.9 23 123 A K E +GI 11 28B 36 -12,-2.4 -13,-3.1 -2,-0.4 -12,-0.9 -0.958 26.8 163.1-113.4 114.1 2.9 19.2 20.9 24 124 A V E > -GI 9 27B 0 3,-2.0 3,-2.0 -2,-0.6 2,-0.2 -1.000 63.5 -30.5-130.3 129.4 5.1 17.7 23.7 25 125 A G T 3 S- 0 0 40 -17,-0.7 -18,-0.1 -2,-0.4 -20,-0.1 -0.425 125.7 -28.3 62.8-127.9 6.4 19.9 26.5 26 126 A D T 3 S+ 0 0 112 -2,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.183 119.5 90.6-107.2 18.2 6.9 23.4 25.1 27 127 A K E < -I 24 0B 40 -3,-2.0 -3,-2.0 31,-0.1 2,-0.6 -0.926 56.1-156.7-121.7 139.9 7.5 22.4 21.5 28 128 A E E +I 23 0B 73 -2,-0.4 32,-3.1 -5,-0.2 33,-0.4 -0.957 30.6 170.5-109.8 115.6 5.3 21.9 18.5 29 129 A L E -I 22 0B 2 -7,-2.7 -7,-3.2 -2,-0.6 2,-0.3 -0.877 19.0-147.6-127.0 157.7 7.0 19.6 16.0 30 130 A F E -Ij 21 62B 71 31,-2.2 33,-1.7 -2,-0.3 2,-0.3 -0.891 4.7-162.0-126.4 158.7 6.0 17.7 12.9 31 131 A T E -I 20 0B 1 -11,-2.4 -11,-2.2 -2,-0.3 33,-0.1 -0.992 15.5-157.5-137.6 144.7 6.9 14.5 11.1 32 132 A N + 0 0 98 31,-0.4 2,-0.7 -2,-0.3 32,-0.1 0.248 61.4 113.0-101.4 9.4 6.4 13.3 7.6 33 133 A R > - 0 0 51 30,-0.3 3,-0.7 1,-0.2 4,-0.4 -0.760 55.1-157.1 -87.2 113.5 6.6 9.5 8.5 34 134 A W T > S+ 0 0 141 -2,-0.7 3,-1.4 1,-0.2 4,-0.5 0.863 88.0 60.5 -57.2 -40.6 3.1 8.1 7.9 35 135 A N T >> S+ 0 0 36 1,-0.3 4,-1.0 2,-0.2 3,-0.6 0.852 96.4 62.0 -57.6 -36.3 3.6 5.1 10.3 36 136 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 1,-0.2 5,-0.3 0.676 84.8 78.3 -67.0 -16.6 4.1 7.5 13.2 37 137 A Q H <> S+ 0 0 6 -3,-1.4 4,-1.5 -4,-0.4 -1,-0.2 0.942 102.1 33.3 -60.3 -49.1 0.6 9.0 12.9 38 138 A S H <> S+ 0 0 53 -3,-0.6 4,-2.0 -4,-0.5 -1,-0.2 0.820 116.7 56.5 -77.6 -29.4 -1.2 6.1 14.6 39 139 A L H X S+ 0 0 3 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.932 110.3 44.4 -65.8 -45.2 1.6 5.3 17.0 40 140 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.860 111.9 51.6 -68.2 -37.0 1.6 8.9 18.3 41 141 A L H X S+ 0 0 3 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.900 109.7 51.1 -66.9 -38.0 -2.2 9.1 18.6 42 142 A S H X S+ 0 0 43 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.881 109.7 49.8 -63.6 -37.4 -2.1 5.8 20.6 43 143 A A H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 4,-0.2 0.869 111.4 49.9 -69.4 -34.8 0.6 7.3 22.9 44 144 A Q H ><5S+ 0 0 22 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.947 111.6 48.0 -64.9 -48.5 -1.6 10.3 23.3 45 145 A I H 3<5S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.757 116.2 42.6 -63.8 -30.1 -4.7 8.2 24.1 46 146 A T T 3<5S- 0 0 65 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.246 109.0-116.3-105.0 14.5 -2.8 6.0 26.7 47 147 A G T < 5 + 0 0 33 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.814 52.2 170.8 58.3 33.8 -0.9 8.7 28.5 48 148 A M < - 0 0 14 -5,-2.1 -39,-0.6 -6,-0.2 2,-0.5 -0.342 35.0-121.6 -72.8 157.1 2.5 7.4 27.4 49 149 A T E -A 8 0A 47 20,-2.4 20,-2.7 -41,-0.1 2,-0.4 -0.875 34.7-167.9 -98.0 126.4 5.7 9.5 28.1 50 150 A V E -AB 7 68A 0 -43,-3.0 -43,-2.3 -2,-0.5 2,-0.5 -0.895 17.5-156.5-120.5 150.6 7.5 10.2 24.8 51 151 A T E -AB 6 67A 6 16,-1.9 16,-2.7 -2,-0.4 2,-0.5 -0.989 11.9-157.8-120.0 122.6 10.9 11.5 24.0 52 152 A I E -AB 5 66A 0 -47,-2.7 -48,-2.5 -2,-0.5 -47,-1.3 -0.895 5.1-158.1-102.9 128.7 11.4 13.1 20.6 53 153 A K E +AB 3 65A 38 12,-2.4 12,-0.8 -2,-0.5 11,-0.6 -0.926 30.2 135.3-108.6 123.0 15.0 13.3 19.3 54 154 A T - 0 0 15 -52,-1.4 3,-0.2 -2,-0.5 9,-0.1 -0.966 53.3-138.8-163.8 149.1 15.8 15.9 16.6 55 155 A N S S+ 0 0 136 -2,-0.3 2,-0.9 1,-0.2 8,-0.1 0.631 101.2 70.3 -81.8 -16.7 18.5 18.5 15.7 56 156 A A + 0 0 31 6,-0.5 2,-2.0 1,-0.1 -1,-0.2 -0.459 67.0 165.4 -97.5 59.7 15.7 20.8 14.7 57 157 A a + 0 0 49 -2,-0.9 2,-0.3 -3,-0.2 -1,-0.1 -0.465 37.8 88.7 -81.9 72.5 14.6 21.4 18.3 58 158 A H S > S- 0 0 105 -2,-2.0 3,-2.7 -30,-0.1 -31,-0.1 -0.963 91.0 -65.3-157.1 159.8 12.4 24.4 17.8 59 159 A N T 3 S+ 0 0 106 -2,-0.3 -30,-0.2 1,-0.3 3,-0.1 -0.261 124.5 19.2 -52.3 131.6 8.7 25.1 17.1 60 160 A G T 3 S+ 0 0 46 -32,-3.1 -1,-0.3 1,-0.3 -31,-0.2 0.308 94.0 137.1 87.9 -9.8 7.9 24.0 13.6 61 161 A G < - 0 0 4 -3,-2.7 -31,-2.2 -33,-0.4 -1,-0.3 -0.290 49.1-124.4 -69.3 154.9 11.0 21.7 13.5 62 162 A G B +j 30 0B 21 -33,-0.2 -6,-0.5 -3,-0.1 2,-0.3 -0.573 27.4 179.3 -99.2 163.9 10.7 18.2 12.0 63 163 A F - 0 0 14 -33,-1.7 -31,-0.4 -2,-0.2 -30,-0.3 -0.975 26.2-179.3-153.7 164.7 11.6 14.8 13.5 64 164 A S + 0 0 12 -11,-0.6 2,-0.5 -2,-0.3 -10,-0.1 0.390 66.1 84.2-138.8 -18.2 11.5 11.1 12.8 65 165 A E E +B 53 0A 23 -12,-0.8 -12,-2.4 18,-0.1 2,-0.4 -0.835 48.4 162.5-102.4 123.8 12.9 9.6 16.0 66 166 A V E -BC 52 84A 0 18,-1.0 18,-2.4 -2,-0.5 2,-0.5 -0.999 25.2-151.9-138.2 139.1 10.6 8.9 19.0 67 167 A I E -BC 51 83A 17 -16,-2.7 -16,-1.9 -2,-0.4 2,-0.6 -0.926 14.1-154.2-109.1 130.4 11.0 6.8 22.1 68 168 A F E BC 50 82A 0 14,-3.1 14,-1.5 -2,-0.5 -18,-0.2 -0.922 360.0 360.0-108.2 118.7 7.7 5.5 23.7 69 169 A R 0 0 141 -20,-2.7 -20,-2.4 -2,-0.6 12,-0.1 -0.933 360.0 360.0-119.0 360.0 7.8 4.7 27.4 70 !* 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 71 201 B T 0 0 81 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.4 15.2 -20.0 15.8 72 202 B P - 0 0 67 0, 0.0 52,-1.4 0, 0.0 2,-0.0 -0.342 360.0-101.4 -72.5 150.3 16.3 -19.9 19.4 73 203 B D E +M 123 0C 96 50,-0.2 50,-0.2 1,-0.2 3,-0.1 -0.384 36.8 178.9 -64.8 146.3 14.7 -17.8 22.1 74 204 B b E - 0 0 24 48,-2.5 2,-0.3 1,-0.4 49,-0.2 0.714 61.5 -6.9-114.1 -59.2 16.7 -14.6 22.8 75 205 B V E -M 122 0C 14 47,-1.3 47,-2.6 20,-0.1 -1,-0.4 -0.990 52.6-164.6-143.2 149.1 14.7 -12.7 25.5 76 206 B T E +M 121 0C 81 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.995 42.8 81.9-131.2 136.1 11.3 -13.1 27.2 77 207 B G E S-M 120 0C 18 43,-2.2 43,-3.0 -2,-0.4 2,-0.2 -0.973 75.0 -46.2 161.2-171.0 9.6 -10.3 29.1 78 208 B K E -M 119 0C 124 -2,-0.3 17,-0.7 41,-0.2 2,-0.6 -0.580 63.2 -97.7 -88.2 152.5 7.5 -7.2 29.0 79 209 B V E - D 0 94A 16 39,-0.6 15,-0.2 34,-0.2 3,-0.1 -0.603 33.6-171.3 -74.1 118.8 8.3 -4.4 26.6 80 210 B E E - 0 0 102 13,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.926 65.6 -29.6 -75.6 -47.9 10.3 -1.8 28.5 81 211 B Y E - D 0 93A 27 12,-0.8 12,-2.4 -12,-0.1 -1,-0.3 -0.969 54.6-143.1-161.5 164.8 10.2 0.8 25.6 82 212 B T E -CD 68 92A 0 -14,-1.5 -14,-3.1 -2,-0.3 2,-0.4 -0.930 12.2-158.4-131.7 158.2 10.0 1.1 21.9 83 213 B K E -CD 67 91A 24 8,-2.6 8,-3.0 -2,-0.3 2,-0.5 -0.991 13.8-142.5-144.1 133.0 11.7 3.5 19.4 84 214 B Y E -CD 66 90A 0 -18,-2.4 -18,-1.0 -2,-0.4 6,-0.2 -0.830 31.3-145.8 -91.9 127.5 11.0 4.6 15.9 85 215 B N > - 0 0 23 4,-2.6 3,-1.9 -2,-0.5 -18,-0.0 -0.542 21.3-113.9 -96.7 160.6 14.3 5.0 14.0 86 216 B D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 -21,-0.0 0.771 117.5 53.5 -61.7 -26.8 15.3 7.5 11.3 87 217 B D T 3 S- 0 0 107 2,-0.1 -1,-0.3 -23,-0.0 3,-0.1 0.238 122.3-105.8 -92.3 13.8 15.7 4.6 8.7 88 218 B D S < S+ 0 0 47 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.608 80.7 128.0 72.4 13.7 12.1 3.5 9.5 89 219 B T - 0 0 18 18,-0.0 -4,-2.6 11,-0.0 2,-0.4 -0.481 54.5-128.1 -89.9 172.1 13.2 0.4 11.5 90 220 B F E -DE 84 101A 1 11,-2.4 11,-2.3 -6,-0.2 2,-0.4 -0.983 14.7-155.3-128.7 132.6 11.7 -0.1 15.0 91 221 B T E -DE 83 100A 14 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.4 -0.852 9.5-171.5-108.8 142.4 13.7 -0.8 18.2 92 222 B V E -DE 82 99A 0 7,-3.2 7,-2.7 -2,-0.4 2,-0.6 -0.986 15.1-148.8-133.4 142.7 12.4 -2.6 21.2 93 223 B K E +DE 81 98A 36 -12,-2.4 -13,-3.2 -2,-0.4 -12,-0.8 -0.954 26.7 163.4-112.8 113.3 13.9 -3.1 24.7 94 224 B V E > -DE 79 97A 0 3,-2.0 3,-2.1 -2,-0.6 -15,-0.1 -0.999 63.5 -30.7-128.7 131.2 12.8 -6.4 26.3 95 225 B G T 3 S- 0 0 40 -17,-0.7 -18,-0.1 -2,-0.4 -20,-0.1 -0.379 125.6 -27.9 60.8-128.6 14.7 -7.8 29.3 96 226 B D T 3 S+ 0 0 110 -2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.197 119.6 90.3-106.0 18.1 18.3 -6.7 29.1 97 227 B K E < -E 94 0A 41 -3,-2.1 -3,-2.0 31,-0.1 2,-0.6 -0.924 56.0-157.1-121.2 139.9 18.4 -6.5 25.3 98 228 B E E +E 93 0A 70 -2,-0.4 32,-3.0 -5,-0.2 33,-0.4 -0.959 30.7 170.4-109.5 116.0 17.7 -3.6 22.8 99 229 B L E -E 92 0A 2 -7,-2.7 -7,-3.2 -2,-0.6 2,-0.3 -0.878 19.0-147.4-127.6 157.5 16.9 -5.2 19.4 100 230 B F E -Ef 91 132A 72 31,-2.2 33,-1.7 -2,-0.3 2,-0.3 -0.882 4.8-162.0-126.0 159.3 15.5 -3.9 16.1 101 231 B T E -E 90 0A 2 -11,-2.3 -11,-2.4 -2,-0.3 33,-0.1 -0.992 15.6-157.4-138.8 145.1 13.3 -5.1 13.3 102 232 B N + 0 0 97 31,-0.4 2,-0.7 -2,-0.3 32,-0.1 0.244 61.5 113.1-102.0 8.8 12.7 -3.9 9.7 103 233 B R > - 0 0 51 30,-0.3 3,-0.7 1,-0.2 4,-0.4 -0.751 55.0-157.2 -86.5 113.8 9.3 -5.5 9.4 104 234 B W T > S+ 0 0 139 -2,-0.7 3,-1.5 1,-0.2 4,-0.5 0.874 88.0 60.4 -56.8 -42.8 6.7 -2.7 9.1 105 235 B N T >> S+ 0 0 42 1,-0.3 4,-1.0 2,-0.2 3,-0.5 0.845 96.5 61.9 -56.0 -36.8 3.8 -4.8 10.3 106 236 B L H <> S+ 0 0 0 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.674 85.1 78.1 -66.3 -16.9 5.5 -5.4 13.7 107 237 B Q H <> S+ 0 0 6 -3,-1.5 4,-1.5 -4,-0.4 -1,-0.2 0.935 102.0 33.6 -60.1 -49.5 5.6 -1.7 14.6 108 238 B S H <> S+ 0 0 53 -3,-0.5 4,-1.9 -4,-0.5 -1,-0.2 0.812 116.7 56.3 -77.5 -29.7 1.9 -1.5 15.6 109 239 B L H X S+ 0 0 4 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.921 110.1 44.7 -66.2 -43.6 1.8 -5.0 17.0 110 240 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 111.7 51.6 -69.4 -37.9 4.7 -4.3 19.4 111 241 B L H X S+ 0 0 3 -4,-1.5 4,-2.8 -5,-0.3 -1,-0.2 0.911 109.9 51.1 -65.1 -37.9 3.3 -1.0 20.5 112 242 B S H X S+ 0 0 45 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.870 109.6 49.5 -64.4 -37.7 0.0 -2.7 21.3 113 243 B A H <>S+ 0 0 1 -4,-1.7 5,-2.2 2,-0.2 4,-0.2 0.867 111.6 49.8 -69.3 -34.6 1.9 -5.3 23.3 114 244 B Q H ><5S+ 0 0 21 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.944 111.3 48.5 -65.5 -48.5 3.7 -2.5 25.2 115 245 B I H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.760 116.0 42.6 -63.3 -29.0 0.4 -0.7 25.9 116 246 B T T 3<5S- 0 0 65 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.254 109.1-116.1-106.2 14.4 -1.4 -3.8 27.2 117 247 B G T < 5 + 0 0 34 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.812 52.4 170.7 58.7 33.6 1.4 -5.3 29.3 118 248 B M < - 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