==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS, TOXIN 02-AUG-06 2DW2 . COMPND 2 MOLECULE: CATROCOLLASTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CROTALUS ATROX; . AUTHOR S.TAKEDA,T.IGARASHI,S.ARAKI . 830 2 34 34 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 . 3 0.4 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 . 77 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 2 0 0 2 0 0 0 3 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 4 0 0 0 2 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 . 7 10 8 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 ANTIPARALLEL BRIDGES PER LADDER . 10 4 0 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 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 1 195 A N 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.5 93.0 9.3 46.8 2 196 A P + 0 0 75 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.789 360.0 105.8 -80.7 -30.6 91.5 11.1 43.8 3 197 A F - 0 0 32 44,-0.1 2,-0.3 1,-0.1 44,-0.2 -0.124 54.2-153.7 -56.9 144.6 90.7 7.9 41.8 4 198 A R E -a 47 0A 50 42,-1.6 44,-3.1 41,-0.1 2,-0.5 -0.835 10.8-137.7-114.8 154.2 87.2 6.6 41.4 5 199 A F E -a 48 0A 11 190,-3.6 2,-0.8 -2,-0.3 44,-0.2 -0.960 7.6-160.4-124.0 126.2 86.3 2.9 40.7 6 200 A V E -a 49 0A 1 42,-3.0 44,-1.6 -2,-0.5 2,-1.1 -0.852 11.6-154.3-103.2 101.1 83.8 1.6 38.2 7 201 A E E -a 50 0A 20 -2,-0.8 84,-2.3 187,-0.2 85,-1.9 -0.653 26.2-165.9 -77.2 102.6 82.9 -2.0 39.2 8 202 A L E -ab 51 92A 0 42,-2.5 44,-2.7 -2,-1.1 45,-1.0 -0.643 21.8-164.9 -98.8 150.0 81.8 -3.4 35.8 9 203 A V E -ab 53 93A 2 83,-1.8 85,-1.9 -2,-0.3 2,-0.5 -0.999 13.2-152.4-129.6 128.7 80.0 -6.5 34.7 10 204 A L E -ab 54 94A 0 43,-2.2 45,-2.6 -2,-0.4 2,-0.5 -0.895 4.8-162.3-107.2 134.6 80.0 -7.5 31.1 11 205 A V E -ab 55 95A 0 83,-2.8 85,-3.3 -2,-0.5 2,-0.5 -0.956 3.2-161.1-116.2 131.0 77.2 -9.5 29.5 12 206 A V E -ab 56 96A 0 43,-2.8 45,-3.4 -2,-0.5 85,-0.2 -0.960 13.8-140.1-116.1 122.6 77.8 -11.4 26.2 13 207 A D > - 0 0 0 83,-1.6 4,-1.3 -2,-0.5 3,-0.3 -0.149 27.0-101.0 -76.3 170.7 74.7 -12.4 24.1 14 208 A K H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.891 119.1 60.3 -57.9 -45.0 74.1 -15.6 22.2 15 209 A A H > S+ 0 0 29 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.896 103.4 52.9 -51.5 -42.9 75.0 -14.0 18.8 16 210 A M H > S+ 0 0 2 -3,-0.3 4,-1.6 80,-0.2 -1,-0.3 0.898 109.4 48.2 -60.1 -42.1 78.4 -13.3 20.2 17 211 A V H <>S+ 0 0 9 -4,-1.3 5,-2.6 -3,-0.3 3,-0.3 0.945 112.7 46.9 -64.5 -48.6 78.9 -16.9 21.2 18 212 A T H ><5S+ 0 0 91 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.902 108.8 56.9 -58.9 -41.6 77.7 -18.2 17.8 19 213 A K H 3<5S+ 0 0 93 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.862 109.1 45.9 -58.0 -36.6 80.1 -15.6 16.2 20 214 A N T ><5S- 0 0 5 -4,-1.6 3,-2.2 -3,-0.3 -1,-0.3 0.065 116.3-112.7 -97.6 25.2 83.0 -17.1 18.1 21 215 A N T < 5 - 0 0 148 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.738 68.4 -63.4 52.8 28.8 82.0 -20.7 17.3 22 216 A G T 3 + 0 0 69 -3,-2.2 4,-1.8 -6,-0.3 3,-0.6 -0.568 18.8 173.1 -82.0 83.2 84.7 -20.9 22.2 24 218 A L H 3> S+ 0 0 58 -2,-1.7 4,-3.1 1,-0.2 5,-0.2 0.846 75.5 60.2 -57.7 -38.8 83.9 -19.3 25.5 25 219 A D H 3> S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 105.9 47.8 -57.6 -40.2 87.6 -19.4 26.6 26 220 A K H <> S+ 0 0 86 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.899 111.9 50.5 -68.1 -41.7 88.4 -17.2 23.6 27 221 A I H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.936 112.1 46.0 -61.7 -48.9 85.5 -14.9 24.5 28 222 A K H X S+ 0 0 83 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.929 111.2 51.7 -61.3 -47.3 86.6 -14.5 28.1 29 223 A T H X S+ 0 0 78 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.922 112.9 45.9 -56.3 -45.5 90.3 -14.0 27.2 30 224 A R H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 109.9 53.3 -65.5 -42.9 89.3 -11.2 24.8 31 225 A M H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.889 106.7 54.1 -59.4 -39.9 86.9 -9.6 27.2 32 226 A Y H X S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.941 110.3 45.7 -60.1 -48.2 89.7 -9.4 29.8 33 227 A E H X S+ 0 0 96 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.901 112.0 51.6 -62.4 -42.5 92.0 -7.6 27.4 34 228 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.935 110.4 46.6 -61.8 -48.4 89.3 -5.2 26.3 35 229 A V H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.787 109.4 57.7 -65.1 -25.8 88.3 -4.2 29.9 36 230 A N H X S+ 0 0 40 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.830 108.7 44.5 -72.4 -32.0 92.1 -3.8 30.6 37 231 A T H X S+ 0 0 19 -4,-1.5 4,-2.6 -3,-0.5 -2,-0.2 0.833 109.0 56.1 -79.5 -34.2 92.4 -1.3 27.7 38 232 A V H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.898 105.4 54.0 -62.5 -38.6 89.2 0.5 28.9 39 233 A N H < S+ 0 0 7 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.857 108.3 48.0 -64.0 -36.1 90.9 0.9 32.2 40 234 A E H >X S+ 0 0 109 -4,-1.0 3,-2.4 1,-0.2 4,-0.6 0.961 106.9 56.1 -67.9 -50.8 94.0 2.5 30.6 41 235 A I H 3< S+ 0 0 3 -4,-2.6 3,-0.3 1,-0.3 134,-0.3 0.777 109.7 47.9 -50.6 -29.9 91.8 4.9 28.6 42 236 A Y T 3<>S+ 0 0 0 -4,-1.2 5,-2.1 1,-0.2 3,-0.3 0.470 83.2 90.6 -93.4 -3.4 90.3 6.1 31.9 43 237 A R T X45S+ 0 0 80 -3,-2.4 3,-1.8 -4,-0.3 -1,-0.2 0.919 86.4 55.2 -56.2 -42.9 93.5 6.6 33.7 44 238 A Y T 3<5S+ 0 0 112 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.858 103.1 54.6 -56.9 -39.9 93.5 10.2 32.4 45 239 A M T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.242 116.2-115.3 -80.5 13.0 90.0 10.7 33.9 46 240 A Y T < 5S+ 0 0 104 -3,-1.8 -42,-1.6 1,-0.2 2,-0.4 0.854 79.3 122.8 53.6 36.8 91.4 9.6 37.3 47 241 A I E < -a 4 0A 0 -5,-2.1 2,-0.3 -44,-0.2 -1,-0.2 -0.964 49.1-154.2-129.9 145.4 89.0 6.6 37.1 48 242 A H E -a 5 0A 11 -44,-3.1 -42,-3.0 -2,-0.4 2,-0.5 -0.886 4.9-154.0-116.6 149.8 89.7 2.9 37.2 49 243 A V E -a 6 0A 2 -2,-0.3 2,-0.4 -44,-0.2 -42,-0.2 -0.984 12.9-176.1-127.9 120.5 87.6 0.1 35.7 50 244 A A E -a 7 0A 4 -44,-1.6 -42,-2.5 -2,-0.5 2,-0.9 -0.952 26.4-128.4-120.8 136.5 87.6 -3.4 37.1 51 245 A L E +a 8 0A 2 -2,-0.4 154,-2.0 -44,-0.2 155,-0.9 -0.712 33.9 165.3 -83.6 105.8 85.8 -6.4 35.8 52 246 A V E + 0 0 1 -44,-2.7 2,-0.3 -2,-0.9 -43,-0.2 0.491 65.5 18.7 -97.8 -6.0 83.9 -7.9 38.7 53 247 A G E -a 9 0A 8 -45,-1.0 -43,-2.2 35,-0.0 2,-0.4 -0.961 52.3-168.8-165.2 145.0 81.6 -10.1 36.7 54 248 A L E -a 10 0A 41 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.919 10.1-174.9-141.2 111.4 81.3 -11.8 33.3 55 249 A E E -a 11 0A 30 -45,-2.6 -43,-2.8 -2,-0.4 2,-0.6 -0.932 4.6-166.2-112.4 123.4 78.1 -13.4 32.1 56 250 A I E -a 12 0A 30 -2,-0.5 2,-2.0 -45,-0.2 3,-0.3 -0.933 13.6-151.0-111.2 116.3 78.0 -15.3 28.8 57 251 A W + 0 0 7 -45,-3.4 -40,-0.2 -2,-0.6 -41,-0.1 -0.424 37.5 152.3 -82.7 65.3 74.5 -16.2 27.4 58 252 A S S S+ 0 0 41 -2,-2.0 -1,-0.2 1,-0.1 3,-0.1 0.774 73.5 35.5 -66.8 -27.6 75.8 -19.3 25.6 59 253 A N S S- 0 0 132 1,-0.3 2,-0.3 -3,-0.3 -1,-0.1 0.928 130.7 -16.9 -89.6 -68.1 72.4 -21.1 25.8 60 254 A E - 0 0 151 -46,-0.0 -1,-0.3 -47,-0.0 2,-0.2 -0.994 66.2-106.8-142.6 147.5 69.7 -18.4 25.5 61 255 A D - 0 0 46 -2,-0.3 -48,-0.1 1,-0.1 -5,-0.0 -0.500 21.8-141.4 -70.5 140.8 69.6 -14.6 25.8 62 256 A K S S+ 0 0 95 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.528 88.5 27.9 -81.3 -5.4 67.9 -13.5 29.0 63 257 A I S S- 0 0 24 16,-0.0 2,-0.8 0, 0.0 9,-0.1 -0.885 100.2 -91.5-141.6 169.4 66.3 -10.6 27.1 64 258 A T - 0 0 84 -2,-0.3 2,-1.2 7,-0.1 11,-0.1 -0.797 36.7-148.4 -89.6 113.1 65.3 -10.3 23.4 65 259 A V - 0 0 14 -2,-0.8 4,-0.1 10,-0.1 -1,-0.0 -0.680 23.2-177.9 -85.8 96.1 68.2 -8.7 21.7 66 260 A K - 0 0 85 -2,-1.2 6,-0.3 2,-0.3 33,-0.0 -0.685 38.8-125.2 -95.8 146.8 66.7 -6.6 18.9 67 261 A P S S+ 0 0 55 0, 0.0 35,-3.5 0, 0.0 2,-1.2 0.616 93.7 95.7 -62.7 -9.2 68.6 -4.6 16.3 68 262 A E > - 0 0 96 33,-0.2 4,-1.9 1,-0.2 3,-0.4 -0.733 69.9-158.2 -85.4 96.5 66.5 -1.7 17.6 69 263 A A H > S+ 0 0 9 -2,-1.2 4,-3.8 33,-0.3 5,-0.3 0.859 84.0 55.8 -42.4 -56.0 68.9 -0.2 20.1 70 264 A G H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.920 109.2 46.5 -46.8 -54.7 66.4 1.6 22.2 71 265 A Y H > S+ 0 0 83 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.915 116.9 45.3 -55.8 -45.7 64.3 -1.6 22.9 72 266 A T H X S+ 0 0 0 -4,-1.9 4,-3.3 -6,-0.3 5,-0.2 0.915 111.8 49.3 -66.9 -45.6 67.5 -3.5 23.7 73 267 A L H X S+ 0 0 3 -4,-3.8 4,-2.0 1,-0.2 -2,-0.2 0.953 115.7 45.3 -58.6 -48.1 69.1 -0.9 26.0 74 268 A N H X S+ 0 0 68 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.902 114.7 47.0 -61.0 -45.5 65.8 -0.6 27.8 75 269 A A H X S+ 0 0 17 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.909 112.8 49.6 -64.4 -42.8 65.3 -4.4 28.0 76 270 A F H X S+ 0 0 0 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.837 110.6 52.4 -65.2 -32.0 68.9 -4.8 29.2 77 271 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 3,-0.2 0.958 109.3 45.7 -67.9 -52.4 68.4 -2.1 31.8 78 272 A E H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.886 111.3 55.5 -57.2 -40.6 65.3 -3.6 33.3 79 273 A W H X>S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 5,-1.4 0.877 106.3 49.9 -61.3 -39.5 67.0 -7.0 33.3 80 274 A R H <>S+ 0 0 3 -4,-1.6 5,-2.7 -3,-0.2 6,-0.3 0.920 113.6 45.9 -65.9 -43.4 70.0 -5.6 35.3 81 275 A K H <5S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.849 122.7 32.7 -68.4 -38.4 67.6 -4.1 37.9 82 276 A T H <5S+ 0 0 99 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.543 136.3 10.4 -99.1 -7.8 65.4 -7.1 38.4 83 277 A D T ><5S+ 0 0 48 -4,-1.6 3,-0.8 -5,-0.2 4,-0.4 0.577 123.1 38.9-132.1 -69.9 67.8 -9.9 37.9 84 278 A L G >> + 0 0 8 32,-1.3 3,-2.1 -3,-0.4 33,-0.2 0.166 25.6 153.2-133.1 17.4 73.2 7.6 35.1 113 307 A M T 3 S+ 0 0 10 31,-1.8 81,-0.1 1,-0.3 -21,-0.1 -0.269 75.4 13.5 -53.4 131.2 76.2 5.9 36.7 114 308 A a T 3 S+ 0 0 22 -23,-1.0 -1,-0.3 1,-0.3 5,-0.1 0.100 88.2 133.4 88.4 -20.5 75.0 3.8 39.7 115 309 A H <> - 0 0 51 -3,-2.1 4,-1.7 1,-0.1 -1,-0.3 -0.456 63.7-126.9 -63.8 130.0 71.3 3.9 38.8 116 310 A P T 4 S+ 0 0 46 0, 0.0 -31,-0.2 0, 0.0 -1,-0.1 0.820 102.7 16.0 -45.8 -39.1 69.9 0.4 39.0 117 311 A K T 4 S+ 0 0 27 -37,-0.1 -37,-0.1 -36,-0.1 -38,-0.1 0.837 127.4 48.7-103.7 -47.5 68.5 0.5 35.5 118 312 A R T 4 S+ 0 0 74 1,-0.2 2,-0.9 -10,-0.1 -9,-0.2 0.423 83.4 90.6 -78.5 1.7 70.2 3.4 33.7 119 313 A S S < S+ 0 0 0 -4,-1.7 -26,-1.8 -42,-0.1 2,-0.3 -0.286 79.9 88.0 -90.7 50.7 73.7 2.5 34.7 120 314 A T E -c 93 0A 0 -2,-0.9 -11,-0.9 -28,-0.2 2,-0.3 -0.863 49.2-177.5-140.7 173.4 74.0 0.5 31.5 121 315 A G E -cD 94 108A 0 -28,-1.1 -26,-2.0 -2,-0.3 2,-0.4 -0.939 21.0-129.6-169.5 148.8 74.8 0.6 27.8 122 316 A I E -cD 95 107A 0 -15,-3.2 -15,-2.2 -2,-0.3 2,-0.4 -0.858 21.4-168.4-109.2 147.5 74.8 -1.8 24.8 123 317 A I E -cD 96 106A 1 -28,-3.2 -26,-3.3 -2,-0.4 2,-0.4 -0.994 14.6-136.6-136.4 140.0 77.8 -2.3 22.5 124 318 A Q E -c 97 0A 15 -19,-2.2 2,-3.3 -2,-0.4 3,-0.2 -0.787 24.2-122.4 -97.6 138.2 78.1 -4.0 19.1 125 319 A D + 0 0 3 -28,-2.9 -1,-0.1 -2,-0.4 8,-0.1 -0.320 51.0 162.8 -74.9 59.8 81.1 -6.2 18.4 126 320 A Y + 0 0 127 -2,-3.3 2,-0.3 -21,-0.2 -1,-0.2 0.695 54.0 17.6 -52.9 -30.1 81.7 -3.9 15.4 127 321 A S - 0 0 30 -3,-0.2 6,-0.1 2,-0.1 -1,-0.0 -0.972 59.2-130.3-149.0 161.7 85.3 -5.0 14.8 128 322 A E S S+ 0 0 123 -2,-0.3 2,-1.1 4,-0.1 -1,-0.1 0.630 83.8 97.9 -83.3 -16.2 88.0 -7.6 15.4 129 323 A I S >> S- 0 0 104 1,-0.2 3,-1.7 2,-0.0 4,-1.3 -0.645 70.2-148.9 -78.1 101.0 90.5 -4.9 16.6 130 324 A N H 3> S+ 0 0 36 -2,-1.1 4,-2.8 1,-0.3 5,-0.2 0.797 94.3 57.6 -36.4 -46.1 90.2 -5.0 20.4 131 325 A L H 3> S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.890 102.2 54.2 -57.9 -41.9 91.0 -1.3 20.6 132 326 A V H <> S+ 0 0 11 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.937 113.2 41.5 -59.3 -47.5 88.1 -0.4 18.4 133 327 A V H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.894 112.5 55.0 -67.8 -38.9 85.6 -2.2 20.6 134 328 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 5,-0.2 0.930 107.2 50.8 -59.3 -45.2 87.3 -1.0 23.8 135 329 A V H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.909 110.1 49.2 -59.8 -42.7 86.9 2.6 22.6 136 330 A I H X S+ 0 0 5 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.921 111.2 50.4 -62.4 -42.8 83.1 2.0 22.0 137 331 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.950 113.4 44.8 -59.2 -50.3 82.8 0.4 25.4 138 332 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.923 110.6 55.3 -59.0 -47.2 84.5 3.4 27.0 139 333 A H H X S+ 0 0 21 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.910 109.5 46.2 -52.8 -48.6 82.5 5.8 24.9 140 334 A E H X S+ 0 0 12 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.860 111.8 50.2 -66.4 -36.3 79.2 4.3 26.2 141 335 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.835 104.7 62.2 -69.2 -30.0 80.4 4.3 29.8 142 336 A G H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.951 100.0 50.0 -58.8 -51.7 81.3 7.9 29.2 143 337 A H H ><5S+ 0 0 18 -4,-1.7 -32,-3.4 1,-0.3 3,-1.4 0.900 107.9 56.1 -53.8 -39.4 77.6 8.8 28.5 144 338 A N H 3<5S+ 0 0 0 -4,-1.4 -31,-1.8 1,-0.3 -32,-1.3 0.877 102.0 55.9 -59.3 -38.3 76.9 7.0 31.7 145 339 A L T <<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.6 41,-0.3 -0.039 129.4 -97.8 -84.9 32.2 79.3 9.3 33.5 146 340 A G T < 5S+ 0 0 15 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.715 79.3 144.9 60.3 22.7 77.4 12.3 32.2 147 341 A I < - 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