Peptide Structure Results
PeptideStructure of: protein.pep
PEPTIDESTRUCTURE of: protein.pep check: 9242 from: 1 to: 925 WPDEF Hydrophilicity (Kyte-Doolittle) averaged over a window of: 7 Surface Probability according to Emini Chain Flexibility according to Karplus-Schulz Secondary Structure according to Chou-Fasman Secondary Structure according to Garnier-Osguthorpe-Robson Antigenicity Index according to Jameson-Wolf Date: November 29, 2002 00:51 Pos AA GlycoS HyPhil SurfPr FlexPr CF-Pred GORPred AI-Ind .. 1 M . 0.350 1.037 1.000 H H 0.600 2 R . 1.180 1.589 1.000 H H 0.900 3 T . 0.350 1.025 1.000 H H 0.600 4 M . 0.043 1.046 1.000 H H 0.600 5 R . 0.443 0.562 0.940 H H 0.300 6 L . -0.743 0.321 0.918 H H -0.600 7 A . -1.386 0.267 0.901 H H -0.600 8 W . -0.886 0.211 0.896 H H -0.600 9 L . -2.071 0.211 0.909 H H -0.600 10 L . -1.929 0.181 0.921 H H -0.600 11 P . -2.314 0.121 0.927 . H -0.600 12 L . -1.986 0.199 0.929 B H -0.600 13 F . -2.086 0.169 0.915 B H -0.600 14 I . -2.086 0.090 0.902 B H -0.600 15 H . -2.957 0.077 0.896 B H -0.600 16 I . -1.857 0.177 0.904 B H -0.600 17 L . -0.957 0.407 0.932 B H -0.600 18 I . -0.214 0.431 0.969 B T 0.100 19 K . -0.929 0.621 1.013 h T -0.050 20 N . 0.214 1.305 1.034 h . 0.600 21 T . 0.500 1.881 1.034 h . 0.900 22 A . 1.371 1.454 1.019 h . 0.900 23 Q . 0.557 0.913 0.988 h . 0.600 24 A . -0.543 0.470 0.973 h . -0.600 25 P . -0.143 0.748 0.960 . . -0.300 26 A . 0.614 0.694 0.966 . T 1.000 27 V . 0.229 0.921 0.992 . T 0.700 28 N G 0.586 0.860 1.023 t T 1.350 29 N G 0.000 0.456 1.053 t T 0.450 30 S . 0.757 1.026 1.071 T T 1.700 31 T . 1.857 1.105 1.065 T T 1.700 32 C . 1.100 0.694 1.051 t T 1.350 33 D . 1.157 1.036 1.047 H T 1.300 34 Q . 1.543 1.243 1.042 H T 1.300 35 A . 1.043 2.009 1.040 H T 1.300 36 K . 1.900 2.009 1.031 H T 1.300 37 E . 1.043 0.622 1.007 H T 1.150 38 F . 0.600 0.609 0.987 H T 1.000 39 D . 1.357 0.490 0.985 t T 1.200 40 C . 0.857 0.280 1.002 t T 1.350 41 G . 1.000 0.633 1.032 T T 1.550 42 N . 0.857 0.313 1.056 T T 1.550 43 G . 1.000 1.142 1.055 t T 1.500 44 R . 1.000 0.619 1.025 B T 1.150 45 L . 0.300 0.270 0.982 B T 0.700 46 R . 0.029 0.421 0.941 B T 0.700 47 C . -0.286 0.217 0.922 B T 0.100 48 I . -0.429 0.456 0.924 B . -0.600 49 P . 0.243 0.245 0.936 . T 0.700 50 A . 0.100 0.792 0.947 . T 0.700 51 E . 0.100 0.605 0.945 . T 0.700 52 W . 1.243 0.654 0.949 b T 1.000 53 Q . 1.514 1.041 0.955 b T 1.150 54 C . 1.171 0.446 0.968 b T 1.000 55 D . 0.414 0.429 0.984 b T 0.700 56 N . 0.786 0.413 0.981 b T 1.000 57 V . -0.071 0.413 0.970 b T 0.100 58 A . 0.786 0.413 0.967 b T 1.000 59 D . 0.843 0.514 0.974 . T 1.000 60 C . 0.400 0.685 1.003 t T 1.050 61 D . 1.643 1.328 1.040 T T 1.700 62 K . 2.400 1.328 1.064 T T 1.700 63 G . 2.400 4.292 1.079 T T 1.700 64 R . 2.871 3.444 1.082 t T 1.500 65 D . 2.429 1.704 1.080 t T 1.500 66 E . 1.514 0.923 1.078 T T 1.550 67 S . 1.571 0.632 1.064 T T 1.550 68 G . 1.114 0.593 1.035 T T 1.550 69 C . 0.357 0.346 0.995 t T 0.900 70 S . 0.314 0.351 0.956 t T 0.900 71 Y . 0.657 0.483 0.926 t T 1.200 72 A . 0.243 0.483 0.907 . T 0.700 73 H . 0.714 0.483 0.908 . T 1.000 74 H . 0.700 0.445 0.923 t T 1.200 75 C . 0.629 0.590 0.951 t T 1.200 76 S . 0.486 0.375 0.983 . T 0.700 77 T . -0.243 0.273 0.991 b T 0.100 78 S . -1.243 0.420 0.978 b T -0.200 79 F . -1.243 0.168 0.945 b T -0.200 80 M . -0.800 0.233 0.920 b T -0.200 81 L . -0.400 0.279 0.930 b T 0.100 82 C . -0.457 0.319 0.957 b T -0.200 83 K . -0.600 0.266 1.000 T T 0.350 84 N . -0.686 0.173 1.023 T T 0.350 85 G . -0.743 0.239 1.013 . T -0.050 86 L . -0.643 0.121 0.990 h H -0.600 87 C . -0.700 0.121 0.964 h H -0.600 88 V . -0.700 0.212 0.955 h H -0.600 89 A . -1.157 0.222 0.960 h H -0.600 90 N . -0.057 0.829 0.977 h H -0.300 91 E . -0.057 0.599 0.989 h H -0.300 92 F . 1.043 0.990 0.998 h H 0.600 93 K . 1.357 0.609 1.019 h T 1.150 94 C . 1.357 0.609 1.035 t T 1.350 95 D . 1.357 1.175 1.058 T T 1.700 96 G . 2.257 0.981 1.078 T T 1.550 97 E . 1.343 0.981 1.074 t T 1.350 98 D . 2.343 1.150 1.063 t T 1.500 99 D . 2.343 1.941 1.047 T T 1.700 100 C . 2.343 1.109 1.035 T T 1.700 101 R . 1.957 0.890 1.047 T T 1.550 102 D . 1.957 0.890 1.064 T T 1.550 103 G . 1.957 2.876 1.084 T T 1.700 104 S . 2.814 2.543 1.094 t T 1.500 105 D . 2.629 2.072 1.078 h T 1.300 106 E . 1.771 1.122 1.051 h H 0.900 107 Q . 2.214 1.450 1.011 h H 0.900 108 H . 2.286 1.361 0.973 h H 0.750 109 C . 2.286 1.264 0.948 h H 0.750 110 E . 1.143 0.511 0.933 h H 0.600 111 Y . 0.100 0.310 0.930 . H 0.300 112 N . 0.200 1.157 0.939 . H 0.450 113 I . 0.671 0.895 0.964 h H 0.600 114 L . 0.814 1.119 0.997 h T 1.150 115 K . 0.229 0.602 1.026 h T 0.850 116 S . 0.229 1.435 1.048 h T 1.000 117 R . 0.929 1.722 1.053 h T 1.300 118 F . 1.586 1.154 1.059 h T 1.300 119 D . 1.529 1.385 1.078 h T 1.300 120 G . 1.643 1.093 1.095 t T 1.500 121 S . 1.114 1.692 1.107 T . 1.300 122 N g 1.257 1.023 1.103 T . 1.300 123 P . 0.986 1.599 1.085 T . 1.300 124 S . 1.029 1.722 1.070 T . 1.300 125 A . 1.014 1.546 1.062 b . 0.900 126 P . 0.114 0.865 1.053 b . 0.450 127 T . -0.714 0.479 1.036 b B -0.450 128 T . -0.771 0.470 1.009 b B -0.450 129 F . -0.057 0.413 0.978 b B -0.300 130 V . 0.214 0.460 0.960 b B 0.300 131 G . 0.171 0.316 0.965 . T 0.700 132 H . 0.300 0.564 0.989 t T 0.900 133 N . 1.200 1.316 1.020 T . 1.300 134 G . 1.443 0.713 1.037 T . 1.150 135 P . 1.843 0.713 1.028 T T 1.550 136 E . 1.614 0.685 1.014 T T 1.550 137 C . 1.343 1.071 0.997 . T 1.150 138 H . 1.929 1.356 0.998 . . 0.750 139 P . 1.157 0.646 1.011 t . 0.950 140 P . 1.300 2.360 1.011 T T 1.700 141 R . 1.300 0.930 1.004 T T 1.550 142 L . 1.486 1.177 0.987 . T 1.150 143 R . 1.371 1.020 0.983 . T 1.150 144 C . 1.200 0.516 1.004 . T 1.150 145 R . 1.057 1.083 1.036 T T 1.700 146 S . 1.243 0.296 1.059 T T 1.550 147 G . -0.043 0.387 1.051 T T 0.650 148 Q . 0.814 0.343 1.022 b T 1.150 149 C . 0.400 0.395 0.990 b T 0.700 150 I . 0.786 0.667 0.980 b T 1.000 151 Q . 0.186 0.318 0.992 b . 0.300 152 P . -0.914 0.440 1.004 b . -0.450 153 D . -0.914 0.336 1.003 b . -0.450 154 L . 0.229 0.324 0.990 b T 0.700 155 V . -0.214 0.208 0.976 b T 0.100 156 C . 0.014 0.169 0.975 t T 0.900 157 D . 0.014 0.355 0.993 T T 1.100 158 G . 1.057 0.799 1.012 T T 1.550 159 H . 1.300 0.799 1.021 t T 1.350 160 Q . 1.771 0.641 1.029 T T 1.550 161 D . 1.329 0.641 1.035 T T 1.550 162 C . 1.329 0.466 1.045 t T 1.350 163 S . 1.371 0.450 1.064 T T 1.550 164 G . 1.371 0.450 1.078 T T 1.550 165 G . 1.371 1.453 1.078 T T 1.700 166 D . 1.129 0.805 1.065 t T 1.350 167 D . 1.514 1.308 1.041 t T 1.500 168 E . 1.100 0.708 1.014 . T 1.150 169 V . 1.143 0.612 0.993 B T 1.000 170 N G 1.286 0.718 0.987 B T 1.000 171 C . 1.429 0.812 0.994 B T 1.000 172 T . 0.986 1.083 1.010 B T 1.300 173 R . 2.043 0.916 1.021 B T 1.150 174 R . 2.043 2.960 1.028 t T 1.500 175 G . 2.900 3.298 1.027 t T 1.500 176 H . 2.529 1.666 1.015 . . 0.900 177 E . 2.386 1.473 1.010 . . 0.900 178 N . 1.857 1.995 1.013 . . 0.900 179 M . 1.914 1.965 1.028 . T 1.300 180 Q . 1.557 1.638 1.057 t T 1.500 181 S . 1.557 1.701 1.088 t . 1.100 182 S . 0.657 1.488 1.093 t . 1.100 183 T . 1.386 1.169 1.076 T . 1.300 184 D . 1.386 1.457 1.051 T T 1.700 185 F . 1.771 1.815 1.022 h T 1.300 186 H . 1.057 0.934 1.010 h T 1.150 187 D . 1.414 0.761 1.009 h T 1.150 188 D . 0.371 0.725 0.996 h T 0.700 189 V . 0.171 0.395 0.972 h B 0.300 190 H . 0.214 0.395 0.958 h B 0.300 191 L . -0.057 0.366 0.958 h B -0.300 192 V . -0.457 0.712 0.976 h B -0.600 193 D . -0.257 0.453 1.003 h . -0.150 194 P . -1.114 0.475 1.010 . . -0.450 195 T . -0.829 0.647 0.999 b . -0.600 196 F . 0.271 0.623 0.977 b . 0.300 197 F . 0.271 0.698 0.968 b . 0.300 198 A . 0.543 0.808 0.977 b . 0.600 199 N . 0.943 1.500 1.004 b T 1.300 200 E . 1.900 3.464 1.038 T T 1.700 201 D . 1.943 1.838 1.053 T T 1.700 202 N . 2.843 2.239 1.060 t T 1.500 203 K . 2.457 1.732 1.059 T T 1.700 204 C . 2.014 1.027 1.051 T T 1.700 205 R . 1.700 1.000 1.052 T T 1.700 206 S . 1.300 0.722 1.046 T T 1.550 207 G . 0.471 1.333 1.019 T T 1.400 208 Y . 0.471 0.365 0.987 B T 0.700 209 T . 0.286 0.370 0.954 B T 0.700 210 M . 0.286 0.501 0.934 B T 0.700 211 C . 0.286 0.317 0.951 B T 0.700 212 H . 0.600 0.366 0.985 B T 1.000 213 S . -0.100 0.275 1.018 T T 0.650 214 G . -0.186 0.275 1.037 T T 0.650 215 D . -0.471 0.142 1.022 t T 0.150 216 V . -0.700 0.163 0.997 . B -0.600 217 C . -0.314 0.276 0.980 . B -0.300 218 I . -0.257 0.221 0.978 . B -0.300 219 P . -1.157 0.258 0.994 T B -0.200 220 D . -1.100 0.397 0.999 T B -0.200 221 S . -1.100 0.304 0.988 t T 0.000 222 F . 0.043 0.328 0.972 . T 0.700 223 L . -0.129 0.194 0.969 . T 0.100 224 C . -0.129 0.242 0.987 t T 0.300 225 D . -0.786 0.231 1.020 T T 0.350 226 G . 0.114 0.467 1.040 T T 1.250 227 D . 0.300 0.467 1.035 h T 0.850 228 L . 1.157 0.467 1.020 h T 1.150 229 D . 1.157 0.788 1.006 h T 1.150 230 C . 0.843 0.477 1.009 h H 0.750 231 D . 0.457 0.775 1.029 h H 0.450 232 D . 1.500 0.775 1.045 h H 0.750 233 A . 1.500 2.503 1.055 h H 0.900 234 S . 2.414 2.998 1.060 h H 0.900 235 D . 2.414 2.887 1.058 h H 0.900 236 E . 1.557 1.532 1.054 h H 0.900 237 K . 2.314 1.979 1.046 h T 1.300 238 N . 2.300 1.711 1.033 b T 1.300 239 C . 2.300 1.588 1.023 b T 1.300 240 Q . 1.543 0.802 1.023 b T 1.150 241 T . 1.214 0.772 1.030 b . 0.750 242 N . 0.829 1.929 1.045 b . 0.900 243 A . 1.686 1.929 1.065 H . 0.900 244 P . 1.686 2.315 1.084 H . 0.900 245 S . 2.086 2.493 1.095 H . 0.900 246 E . 1.771 3.866 1.086 H H 0.900 247 E . 1.486 2.062 1.063 H H 0.900 248 E . 1.371 2.062 1.034 H H 0.900 249 Y . 1.314 1.178 1.014 . H 0.900 250 L . 1.314 1.178 1.016 . H 0.900 251 S . 0.557 0.687 1.031 T H 1.150 252 G . 0.557 0.733 1.041 T H 1.150 253 Q . 0.829 1.209 1.033 H H 0.900 254 A . 1.100 0.893 1.005 H H 0.750 255 D . 1.443 1.227 0.967 H H 0.750 256 H . 1.500 0.950 0.935 H H 0.600 257 M . 0.643 0.504 0.915 H H 0.600 258 H . 1.014 0.404 0.917 H H 0.600 259 S . 0.257 0.300 0.924 T . 0.700 260 C . -0.457 0.306 0.933 T . -0.200 261 S . -0.129 0.223 0.939 . T 0.100 262 A . -0.857 0.165 0.934 . T -0.200 263 A . -0.786 0.481 0.928 . T -0.200 264 G . -0.314 0.481 0.920 . T 0.100 265 M . -0.786 0.255 0.916 t T 0.000 266 Y . -0.471 0.250 0.927 t T 0.000 267 S . -0.114 0.365 0.948 T T 0.500 268 C . 0.386 0.737 0.981 T T 1.100 269 G . 0.714 0.465 1.023 t T 1.350 270 T . 0.643 0.465 1.062 t T 1.350 271 K . 1.029 1.504 1.090 T . 1.300 272 G . 0.743 1.065 1.101 T T 1.700 273 S . 0.743 0.730 1.087 . T 1.150 274 E . 0.043 0.271 1.050 . B 0.450 275 I . -0.871 0.147 1.009 B B -0.450 276 G . -1.571 0.077 0.966 B B -0.600 277 V . -1.457 0.069 0.938 B B -0.600 278 C . -2.229 0.097 0.926 B B -0.600 279 I . -1.086 0.157 0.921 B B -0.600 280 P . -1.400 0.214 0.933 . B -0.600 281 M . -0.700 0.577 0.944 t T 0.000 282 N G -0.700 0.441 0.954 t T 0.000 283 A . 0.443 0.459 0.969 t T 0.900 284 T . 0.271 0.459 0.975 t T 0.900 285 C . -0.100 0.200 0.985 t T 0.300 286 N . -0.043 0.396 1.002 t T 0.450 287 G . 0.714 0.475 1.015 t T 1.350 288 I . 0.257 0.475 1.024 . T 0.850 289 K . 0.843 0.457 1.024 . B 0.750 290 E . -0.200 0.380 1.009 . B -0.150 291 C . -0.200 0.537 0.993 . B -0.300 292 P . 0.943 0.448 0.986 T B 1.000 293 L . 0.886 0.432 0.990 T T 1.400 294 G . 0.886 1.397 1.010 t T 1.500 295 D . 1.357 1.211 1.036 t H 1.100 296 D . 1.686 2.936 1.061 t H 1.100 297 E . 2.686 4.038 1.075 t H 1.100 298 S . 2.271 1.296 1.068 t H 1.100 299 K . 1.886 1.040 1.045 T H 1.300 300 H . 1.886 1.040 1.016 T H 1.300 301 C . 1.029 0.416 0.987 . H 0.600 302 S . 0.657 0.210 0.976 . H 0.600 303 E . 0.743 0.302 0.972 h H 0.600 304 C . 0.843 1.129 0.974 h H 0.750 305 A . 1.843 1.649 0.990 h H 0.750 306 R . 1.371 0.511 1.002 h T 1.150 307 K . 1.371 1.590 1.010 h T 1.300 308 R . 2.186 2.142 1.007 h T 1.300 309 C . 2.543 1.579 0.989 . T 1.150 310 D . 1.543 0.423 0.966 t T 1.200 311 H . 0.714 0.214 0.943 t T 1.200 312 T . 0.571 0.641 0.929 b T 1.000 313 C . 1.029 0.554 0.930 b T 1.000 314 M . 0.757 0.630 0.949 b T 1.000 315 N . 0.757 0.594 0.979 b T 1.000 316 T . 0.714 1.096 1.003 b . 0.900 317 P . 0.814 1.119 1.017 T T 1.700 318 H . 1.729 1.363 1.005 T T 1.700 319 G . 0.871 0.506 0.980 . T 1.000 320 A . 0.129 0.230 0.957 b T 0.700 321 R . -0.457 0.090 0.926 b B -0.600 322 C . -0.414 0.158 0.914 b B -0.600 323 I . 0.029 0.271 0.922 b B 0.300 324 C . 0.343 0.137 0.944 b B 0.300 325 Q . -0.114 0.401 0.981 b B -0.300 326 E . 0.800 1.143 1.012 t T 1.500 327 G . 0.900 1.758 1.021 t T 1.500 328 Y . 1.000 1.026 1.014 h T 1.300 329 K . 1.000 0.989 1.010 h T 1.150 330 L . 1.000 1.669 1.002 h T 1.300 331 A . 1.000 1.054 1.007 h T 1.300 332 D . 0.271 0.435 1.020 h T 0.850 333 D . -0.186 0.761 1.015 h T 0.250 334 G . 0.000 0.404 1.008 . . -0.150 335 L . 0.757 0.419 0.994 h . 0.600 336 T . 0.757 0.419 0.984 h H 0.600 337 C . 0.757 0.733 0.993 h H 0.600 338 E . 1.200 1.483 1.011 h H 0.900 339 D . 2.243 1.780 1.030 h H 0.900 340 E . 1.786 1.780 1.035 h H 0.900 341 D . 1.886 1.038 1.020 h H 0.900 342 E . 1.486 0.897 0.995 h H 0.600 343 C . 1.443 0.705 0.967 h H 0.600 344 A . 1.000 0.418 0.951 h H 0.600 345 T . 0.957 0.328 0.944 t H 0.800 346 H . -0.086 0.505 0.943 t H -0.100 347 G . -0.086 0.268 0.939 t H -0.100 348 H . 0.671 0.322 0.930 t H 0.800 349 L . 1.029 0.322 0.920 B T 1.000 350 C . 0.171 0.281 0.911 B T 0.700 351 Q . -0.243 0.111 0.908 B T 0.100 352 H . -0.200 0.233 0.917 B T 0.100 353 F . 0.843 0.725 0.931 B T 1.000 354 C . 1.843 0.820 0.953 B T 1.000 355 E . 0.800 0.497 0.980 t T 1.200 356 D . 0.400 0.568 0.998 t T 0.900 357 R . 0.914 1.420 1.012 t T 1.500 358 L . 0.871 0.710 1.012 t T 1.350 359 G . 0.114 0.430 1.001 . T 0.850 360 S . -0.743 0.118 0.980 h T -0.200 361 F . -0.829 0.285 0.958 h T -0.200 362 A . -0.643 0.154 0.942 h T -0.200 363 C . -0.957 0.116 0.933 h T -0.200 364 K . -0.571 0.216 0.943 h T -0.200 365 C . -0.114 0.212 0.951 h T 0.100 366 A . 0.329 0.619 0.967 h T 0.700 367 N . 1.186 0.536 0.979 t T 1.200 368 G . 0.086 0.825 0.980 t . 0.500 369 Y . 0.943 1.414 0.981 t . 0.950 370 E . 1.300 1.269 0.984 . . 0.750 371 L . 1.300 2.141 0.995 . T 1.150 372 E . 1.300 1.352 1.012 . T 1.300 373 T . 1.571 1.063 1.027 T T 1.700 374 D . 1.186 1.727 1.025 T T 1.700 375 G . 1.371 0.534 1.013 t T 1.350 376 H . 1.429 0.741 0.996 t T 1.200 377 S . 1.514 0.695 0.982 T . 1.000 378 C . 1.514 1.216 0.978 T T 1.550 379 K . 1.200 0.903 0.983 t T 1.200 380 Y . 0.843 0.972 0.987 t T 1.200 381 E . 0.829 2.618 0.999 . T 1.150 382 A . 1.286 1.889 1.020 . T 1.300 383 T . 0.957 1.864 1.036 . . 0.900 384 T . 1.271 1.864 1.055 . . 0.900 385 T . 0.829 1.826 1.066 . . 0.900 386 P . 1.271 1.983 1.058 T . 1.300 387 E . 0.629 1.133 1.042 T T 1.700 388 G . 0.129 0.680 1.011 B T 0.850 389 Y . -0.614 0.308 0.973 B B -0.600 390 L . -0.729 0.238 0.944 B B -0.600 391 F . -1.771 0.199 0.926 B B -0.600 392 I . -1.771 0.126 0.927 B B -0.600 393 S . -1.900 0.151 0.953 . . -0.600 394 L . -0.857 0.301 0.986 t . -0.400 395 G . -1.057 0.319 1.018 t . -0.250 396 G . 0.229 0.466 1.041 . . 0.450 397 E . 0.614 0.979 1.041 . . 0.750 398 V . 0.886 0.979 1.028 . . 0.750 399 R . 1.057 1.529 1.011 . B 0.900 400 Q . 0.457 0.728 0.991 h B 0.300 401 M . -0.300 0.991 0.973 h B -0.300 402 P . 0.800 0.845 0.960 h B 0.600 403 L . -0.243 0.423 0.950 h B -0.300 404 A . -0.643 0.616 0.949 h B -0.600 405 D . 0.129 0.666 0.959 h B 0.300 406 F . -0.043 0.799 0.983 h B -0.300 407 T . 0.614 1.060 1.022 T T 1.700 408 D . 1.371 1.020 1.053 T T 1.700 409 G . 1.057 1.846 1.074 T T 1.700 410 S . 1.571 1.714 1.068 T . 1.300 411 N G 1.214 1.037 1.033 T . 1.300 412 Y . 0.071 0.735 0.993 t . 0.500 413 S . 0.514 0.949 0.963 t . 0.800 414 A . 0.957 1.181 0.956 H B 0.750 415 I . 0.057 0.652 0.961 H B 0.300 416 Q . -0.386 0.492 0.976 H B -0.300 417 K . -0.443 0.482 0.981 H B -0.600 418 F . 0.271 0.935 0.969 H B 0.300 419 A . 0.971 0.534 0.968 H . 0.600 420 G . 0.571 0.386 0.970 . . 0.600 421 H . -0.629 0.312 0.983 . . -0.600 422 G . 0.414 0.605 1.006 . . 0.450 423 T . 0.786 0.820 1.020 b . 0.750 424 I . 0.086 0.422 1.026 b . 0.450 425 R . 0.129 0.713 1.021 b B 0.450 426 S . -0.329 0.428 1.007 b B -0.150 427 I . -0.700 0.604 0.977 b B -0.600 428 D . 0.400 0.419 0.947 b B 0.300 429 F . 0.400 0.613 0.928 b B 0.300 430 M . 0.786 1.406 0.928 b . 0.750 431 H . 1.929 1.354 0.963 . . 0.750 432 R . 1.986 3.127 1.010 T T 1.700 433 N . 2.114 3.127 1.040 T T 1.700 434 N . 1.986 1.990 1.044 t T 1.500 435 K . 1.257 1.005 1.014 h T 1.300 436 M . 0.729 0.838 0.965 h . 0.600 437 F . -0.414 0.365 0.935 h . -0.600 438 M . -0.800 0.245 0.926 h . -0.600 439 S . -0.857 0.413 0.944 h . -0.600 440 I . -0.086 0.826 0.979 h . -0.300 441 S . 0.771 1.136 1.004 h . 0.900 442 D . 1.100 0.839 1.020 h . 0.750 443 E . 1.486 1.998 1.025 h . 0.900 444 H . 2.357 2.305 1.025 h . 0.900 445 G . 2.343 1.992 1.031 t . 1.100 446 D . 1.900 1.138 1.044 t . 1.100 447 P . 1.900 1.449 1.058 T . 1.300 448 T . 0.900 1.207 1.064 T . 1.300 449 G . 0.957 0.969 1.056 t . 0.950 450 E . -0.143 0.465 1.031 . B -0.150 451 L . -0.257 0.432 1.007 . B -0.150 452 S . 0.143 0.729 0.993 . B 0.300 453 V . 0.586 0.677 1.000 . B 0.600 454 S . 0.143 0.812 1.020 t . 0.650 455 D . 0.143 0.500 1.035 T T 1.250 456 N . -0.243 0.666 1.035 T T 0.650 457 G . 1.000 0.974 1.009 T . 1.150 458 L . 0.286 0.433 0.972 H B 0.300 459 M . -0.757 0.222 0.941 H B -0.600 460 R . -0.614 0.439 0.930 H B -0.600 461 V . -0.171 0.923 0.946 H B -0.300 462 L . 0.871 1.499 0.973 H B 0.750 463 R . 0.543 0.568 0.998 H B 0.600 464 E . -0.743 0.537 1.005 H B -0.450 465 N . -0.086 0.644 0.988 . B -0.300 466 V . -0.143 0.244 0.965 B B -0.300 467 I . -0.671 0.189 0.952 B B -0.600 468 G . -0.671 0.189 0.955 B B -0.600 469 V . -1.771 0.189 0.968 B B -0.600 470 S . -1.429 0.272 0.977 B B -0.600 471 N . -1.386 0.204 0.972 B B -0.600 472 V . -0.943 0.459 0.954 B B -0.600 473 A . -0.214 0.360 0.936 B B -0.300 474 V . -0.971 0.157 0.923 B B -0.600 475 D . -1.414 0.209 0.925 B B -0.600 476 W . -0.757 0.205 0.944 B B -0.600 477 I . 0.000 0.444 0.970 B . 0.300 478 G . 0.000 0.198 0.998 . . 0.300 479 G . -0.900 0.163 1.011 t . -0.250 480 N . -1.429 0.201 0.997 t . -0.400 481 V . -0.686 0.293 0.979 B B -0.600 482 F . -0.243 0.513 0.975 B B -0.300 483 F . 0.257 0.638 0.989 B B 0.300 484 T . -0.129 1.151 1.034 B B 0.000 485 Q . 0.700 2.056 1.076 B T 1.300 486 K . 1.214 3.182 1.104 . T 1.300 487 S . 1.843 3.409 1.118 . . 0.900 488 P . 1.857 2.638 1.109 T . 1.300 489 S . 1.100 1.333 1.098 T . 1.300 490 P . 0.600 0.984 1.072 T . 1.150 491 S . -0.157 0.446 1.045 T T 0.650 492 A . -0.271 0.446 1.018 t T 0.450 493 G . -1.029 0.202 0.982 t B -0.400 494 I . -1.614 0.081 0.959 B B -0.600 495 S . -1.629 0.116 0.934 B B -0.600 496 I . -1.643 0.116 0.920 B B -0.600 497 C . -1.586 0.221 0.924 B B -0.600 498 T . -0.886 0.163 0.941 B B -0.600 499 M . -1.271 0.230 0.958 B T -0.200 500 S . -1.029 0.372 0.971 . T -0.200 501 G . -1.029 0.138 0.965 . T -0.200 502 M . -0.486 0.274 0.946 B T -0.200 503 F . 0.429 0.400 0.943 B T 0.700 504 C . -0.286 0.300 0.943 B T 0.100 505 R . -0.986 0.212 0.954 B T -0.200 506 R . -0.214 0.425 0.967 B T 0.100 507 V . 0.243 0.784 0.976 B . 0.300 508 I . 1.157 0.801 0.995 B . 0.600 509 E . 1.014 0.708 1.025 . . 0.750 510 G . 0.871 1.652 1.064 . T 1.300 511 K . 1.529 2.332 1.095 . T 1.300 512 E . 2.671 2.332 1.120 . T 1.300 513 Q . 2.286 3.158 1.130 . T 1.300 514 G . 2.414 2.474 1.118 . T 1.300 515 Q . 2.500 2.798 1.100 T T 1.700 516 S . 2.057 1.599 1.070 T . 1.300 517 Y . 1.014 1.333 1.037 B T 1.300 518 R . 0.357 0.571 1.014 B T 0.850 519 G . -0.743 0.316 0.990 B B -0.600 520 L . -0.400 0.275 0.969 B B -0.300 521 V . -0.357 0.217 0.951 B B -0.300 522 V . -1.271 0.217 0.939 B B -0.600 523 H . -0.686 0.515 0.941 B B -0.600 524 P . -0.086 0.687 0.954 . B -0.300 525 M . -0.029 0.763 0.971 t T 0.300 526 R . -0.071 0.393 0.981 t T 0.300 527 G . -1.171 0.178 0.974 . T -0.200 528 L . -1.271 0.189 0.946 B B -0.600 529 I . -1.643 0.068 0.912 B B -0.600 530 I . -1.786 0.114 0.897 B B -0.600 531 W . -1.729 0.186 0.902 B B -0.600 532 I . -1.000 0.415 0.932 B B -0.600 533 D . 0.143 1.026 0.975 . T 0.850 534 S . 1.343 1.952 1.004 T T 1.700 535 Y . 1.400 4.362 1.015 T T 1.700 536 Q . 2.500 3.555 1.015 . T 1.300 537 K . 2.643 5.195 0.999 . T 1.150 538 Y . 1.886 2.324 0.971 . T 1.150 539 H . 1.429 1.328 0.943 H B 0.750 540 R . 0.657 0.657 0.906 H B 0.600 541 I . -0.157 0.424 0.879 H B -0.300 542 M . 0.157 0.501 0.868 H B 0.300 543 M . -0.571 0.253 0.872 H B -0.600 544 A . -0.714 0.603 0.904 H B -0.600 545 N . -0.014 0.603 0.946 . . -0.300 546 M . 0.371 0.816 1.000 T . 0.700 547 D . 1.143 1.399 1.050 T . 1.300 548 G . 0.800 0.646 1.075 T . 1.150 549 S . 0.943 1.278 1.073 T . 1.300 550 Q . 0.571 0.537 1.039 B B 0.750 551 V . -0.471 0.447 0.994 B B -0.600 552 R . -1.071 0.275 0.953 B B -0.600 553 I . -0.686 0.265 0.940 B B -0.600 554 L . -0.686 0.575 0.958 B B -0.600 555 L . 0.471 0.587 0.992 B B 0.300 556 D . -0.714 0.691 1.028 h . -0.450 557 N . 0.429 1.450 1.043 h . 0.600 558 K . 0.371 1.305 1.035 h . 0.600 559 L . 1.143 1.208 1.018 h . 0.900 560 E . 0.757 1.007 1.005 h H 0.900 561 V . 0.000 0.509 1.002 h H 0.450 562 P . -1.100 0.509 1.005 t H -0.250 563 S . -0.814 0.297 0.995 t H -0.400 564 A . -1.957 0.280 0.970 . H -0.600 565 L . -0.857 0.303 0.943 B H -0.600 566 A . -0.900 0.354 0.921 B H -0.600 567 I . -1.657 0.246 0.911 B H -0.600 568 D . -0.757 0.583 0.912 B H -0.600 569 Y . 0.243 0.786 0.916 B B 0.300 570 I . 1.000 1.871 0.920 B B 0.750 571 R . 1.043 0.832 0.926 B B 0.600 572 H . 0.729 0.832 0.927 B B 0.600 573 D . 0.143 1.027 0.921 B B 0.450 574 V . 0.843 0.519 0.922 B . 0.600 575 Y . 0.700 0.637 0.930 B T 1.000 576 F . -0.357 0.283 0.952 B T 0.100 577 G . -0.357 0.661 0.986 . . -0.300 578 D . 0.886 0.826 1.012 H . 0.750 579 V . 1.200 1.652 1.025 H H 0.900 580 E . 1.057 1.377 1.028 H H 0.900 581 R . 0.357 0.578 1.013 H H 0.450 582 Q . 0.357 1.348 0.999 H H 0.450 583 L . 1.600 1.525 0.988 H H 0.750 584 I . 0.500 0.578 0.981 H H 0.300 585 E . 0.357 0.537 0.984 H H 0.300 586 R . -0.786 0.456 0.986 H H -0.600 587 V . 0.257 1.086 0.991 H H 0.450 588 N . 1.000 0.905 1.001 . . 0.750 589 I . 1.057 0.924 1.018 t . 0.950 590 D . 0.914 2.157 1.044 t . 1.100 591 T . 2.157 2.627 1.062 . . 0.900 592 K . 2.300 7.341 1.072 . . 0.900 593 E . 2.343 3.262 1.062 . B 0.900 594 R . 1.243 1.678 1.034 B B 0.900 595 R . 0.500 0.588 1.000 B B 0.450 596 V . 0.057 0.455 0.971 B B 0.300 597 V . 0.057 0.374 0.964 B B 0.300 598 I . -0.529 0.189 0.976 B B -0.600 599 S . -1.771 0.189 0.999 T B -0.200 600 N . -0.714 0.346 1.011 T T 0.350 601 G . 0.343 0.672 1.002 t T 1.050 602 V . 1.214 0.775 0.977 . . 0.600 603 H . 1.286 0.755 0.952 . . 0.600 604 H . 1.286 1.275 0.940 . . 0.750 605 P . 0.957 1.700 0.932 T . 1.150 606 Y . 1.300 1.262 0.928 T B 1.150 607 D . 1.029 1.453 0.915 . B 0.750 608 M . 0.171 0.814 0.897 b B 0.300 609 A . 0.443 0.835 0.895 b B 0.300 610 Y . 0.314 0.495 0.904 b B 0.300 611 F . -0.586 0.433 0.926 b B -0.600 612 N . -0.857 0.353 0.950 b T -0.200 613 G . -0.414 0.353 0.954 . T -0.200 614 F . -0.471 0.429 0.934 h T -0.200 615 L . -0.329 0.270 0.911 h . -0.300 616 Y . -0.329 0.455 0.888 h . -0.300 617 W . -0.257 0.553 0.882 h . -0.300 618 A . 0.200 0.663 0.905 h . 0.300 619 D . 0.857 0.567 0.940 h . 0.600 620 W . 1.171 0.934 0.984 h . 0.600 621 G . 1.157 1.239 1.031 . . 0.900 622 S . 0.871 0.612 1.058 h . 0.750 623 E . 0.929 1.164 1.064 h . 0.900 624 S . 0.200 0.873 1.053 h . 0.450 625 L . 0.643 1.128 1.033 h . 0.900 626 K . 1.029 1.128 1.022 h H 0.900 627 V . 0.257 0.833 1.012 h H 0.450 628 Q . 0.243 1.458 1.005 h H 0.600 629 E . 1.243 0.992 0.994 h H 0.600 630 M . 1.143 1.818 0.971 h H 0.750 631 T . 2.200 1.429 0.955 h H 0.750 632 H . 1.814 1.105 0.948 h . 0.750 633 H . 1.429 1.497 0.960 h . 0.750 634 H . 1.929 1.604 0.992 t . 0.950 635 S . 2.329 2.041 1.027 T . 1.300 636 S . 1.271 1.113 1.048 T . 1.300 637 P . 0.171 0.574 1.037 . . 0.450 638 Q . 0.171 0.582 1.009 B B 0.450 639 V . 0.157 0.627 0.970 B B 0.300 640 I . -0.357 0.351 0.940 B B -0.300 641 H . -0.086 0.326 0.936 B B -0.300 642 T . 0.057 0.861 0.943 B B 0.300 643 F . 0.843 1.924 0.958 B B 0.750 644 N . 1.714 2.186 0.973 B T 1.150 645 R . 1.443 2.374 0.977 B T 1.150 646 Y . 1.400 2.713 0.969 B . 0.750 647 P . 1.157 1.182 0.956 T T 1.550 648 Y . 0.400 0.610 0.940 T T 1.100 649 G . -0.843 0.289 0.924 . T -0.200 650 I . -0.529 0.300 0.916 B B -0.600 651 A . -0.300 0.261 0.917 B B -0.300 652 V . -0.371 0.353 0.923 B B -0.300 653 N G -0.971 0.416 0.933 B B -0.600 654 H . -0.143 0.645 0.943 B B -0.300 655 S . 0.614 1.504 0.950 B B 0.750 656 L . 1.314 1.350 0.964 B T 1.150 657 Y . 0.871 0.982 0.988 B T 1.000 658 Q . 0.643 1.133 1.019 B T 1.300 659 T . 0.757 2.124 1.049 B T 1.300 660 G . 1.414 1.817 1.076 . . 0.900 661 P . 1.729 1.687 1.090 t . 1.100 662 P . 1.457 1.808 1.098 T . 1.300 663 S . 1.000 0.979 1.093 T . 1.150 664 N . 0.400 0.522 1.069 T . 0.850 665 P . 0.671 0.585 1.036 h T 1.150 666 C . -0.100 0.360 0.993 h T 0.100 667 L . 0.286 0.388 0.964 h T 0.700 668 E . -0.571 0.134 0.949 h T -0.200 669 L . -0.571 0.388 0.945 h . -0.600 670 E . -0.086 0.494 0.945 h T 0.100 671 C . -0.086 0.235 0.941 h T 0.100 672 P . -0.943 0.153 0.935 . . -0.600 673 W . -1.000 0.066 0.928 B . -0.600 674 L . -2.143 0.086 0.921 B B -0.600 675 C . -2.386 0.041 0.915 B B -0.600 676 V . -2.386 0.061 0.921 B B -0.600 677 I . -1.957 0.147 0.940 B B -0.600 678 V . -1.300 0.367 0.980 B B -0.600 679 P . -0.443 0.825 1.030 t T 0.150 680 K . -0.243 1.020 1.059 t T 0.600 681 S . -0.243 0.963 1.063 t T 0.450 682 D . 0.086 0.616 1.030 t T 1.050 683 F . -0.043 0.445 0.976 B B -0.300 684 I . -0.857 0.335 0.942 B B -0.600 685 M . -0.414 0.401 0.932 B B -0.600 686 T . -1.271 0.249 0.943 B B -0.600 687 A . -1.471 0.263 0.963 B T -0.200 688 K . -1.186 0.143 0.964 B T -0.200 689 C . -0.686 0.153 0.955 B T -0.200 690 V . -0.286 0.252 0.955 B T 0.100 691 C . 0.029 0.125 0.964 B . 0.300 692 P . -0.343 0.365 0.989 T T 0.500 693 D . 0.114 0.710 1.002 T T 1.250 694 G . 1.171 1.803 1.003 T T 1.700 695 Y . 1.643 1.562 0.988 B T 1.150 696 T . 0.814 0.694 0.969 B . 0.600 697 H . 0.414 1.013 0.967 B . 0.450 698 S . 0.857 1.119 0.976 B . 0.750 699 V . 1.171 1.247 1.003 B T 1.300 700 T . 1.186 1.228 1.034 B T 1.300 701 E . 0.371 0.491 1.046 t T 1.050 702 N . -0.386 0.464 1.039 t T 0.450 703 S . 0.443 0.497 1.018 . T 0.850 704 C . 0.571 0.444 0.995 B T 1.000 705 I . -0.529 0.205 0.989 B . -0.600 706 P . -0.929 0.221 0.998 B . -0.600 707 P . -1.686 0.288 1.005 B . -0.450 708 V . -0.829 0.713 1.005 B . -0.450 709 T . 0.314 0.770 1.003 B . 0.450 710 I . 0.586 0.862 1.008 B H 0.750 711 E . 0.857 2.012 1.024 H H 0.900 712 D . 1.957 2.242 1.041 H H 0.900 713 E . 1.314 2.637 1.051 H H 0.900 714 E . 2.457 2.637 1.047 H H 0.900 715 N . 2.514 3.158 1.036 H H 0.900 716 L . 1.471 1.504 1.025 H H 0.900 717 E . 1.086 1.164 1.016 H H 0.900 718 K . 1.043 0.985 1.005 H H 0.750 719 L . -0.100 0.837 0.982 H H -0.300 720 S . 0.500 0.478 0.967 H H 0.600 721 H . 0.114 0.320 0.963 H H 0.300 722 I . -0.700 0.393 0.963 H H -0.600 723 G . -0.700 0.242 0.977 . H -0.600 724 S . -1.086 0.176 0.971 H H -0.600 725 A . -1.800 0.253 0.951 H H -0.600 726 L . -0.657 0.443 0.931 H H -0.600 727 M . -0.529 0.518 0.910 H H -0.600 728 A . -1.000 0.275 0.908 H H -0.600 729 E . -0.243 0.577 0.911 H H -0.300 730 Y . 0.043 0.589 0.922 H H 0.300 731 C . 0.371 0.577 0.932 H H 0.300 732 E . 0.029 0.247 0.941 H H 0.300 733 A . -0.729 0.160 0.948 H H -0.600 734 G . -1.271 0.160 0.941 . H -0.600 735 V . -1.186 0.091 0.930 b H -0.600 736 A . -1.186 0.145 0.921 b H -0.600 737 C . -0.871 0.145 0.931 b H -0.600 738 M . -0.871 0.193 0.955 b T -0.200 739 N . -0.529 0.193 0.988 b T -0.200 740 G . -0.629 0.193 1.008 T T 0.350 741 G . 0.371 0.383 1.006 T . 0.850 742 A . 1.143 0.412 0.995 h . 0.600 743 C . 0.100 0.344 0.981 h H 0.300 744 R . 0.543 0.601 0.984 h H 0.600 745 E . 0.986 0.957 1.000 h H 0.750 746 L . 1.743 3.093 1.016 h H 0.900 747 Q . 2.557 2.149 1.032 h H 0.900 748 N . 1.971 1.228 1.040 h H 0.900 749 E . 2.114 2.916 1.036 h H 0.900 750 H . 2.400 1.701 1.027 h H 0.900 751 G . 2.357 1.439 1.014 . T 1.300 752 R . 2.500 1.628 0.993 h T 1.150 753 A . 1.357 0.839 0.968 h T 1.000 754 H . 0.300 0.629 0.947 h T 0.700 755 R . -0.114 0.172 0.923 h B -0.300 756 I . -0.257 0.285 0.909 h B -0.300 757 V . -0.357 0.112 0.909 h B -0.300 758 C . -0.314 0.099 0.918 . B -0.300 759 D . -0.900 0.140 0.948 t T 0.000 760 C . -0.029 0.292 0.986 t T 0.300 761 E . 0.757 0.852 1.020 t T 1.350 762 G . 1.614 0.852 1.050 t T 1.350 763 P . 1.171 1.573 1.063 T T 1.700 764 Y . 2.029 1.573 1.062 T T 1.700 765 D . 1.714 2.491 1.060 T T 1.700 766 G . 1.300 0.863 1.041 T T 1.550 767 Q . 1.571 0.954 1.016 t T 1.350 768 Y . 2.029 1.119 0.994 t T 1.350 769 C . 0.986 0.933 0.977 . T 1.000 770 E . 1.429 0.866 0.981 . T 1.000 771 R . 1.157 0.855 0.992 . . 0.600 772 L . 1.471 2.762 1.008 . . 0.900 773 N . 2.386 3.189 1.028 . . 0.900 774 P . 1.486 1.410 1.036 T . 1.300 775 E . 0.957 2.291 1.034 T H 1.300 776 K . 1.243 1.439 1.019 H H 0.900 777 F . 0.471 0.921 0.983 H H 0.300 778 S . 0.743 0.921 0.959 H H 0.600 779 A . 0.743 0.798 0.953 H H 0.600 780 M . 0.686 1.595 0.966 H H 0.750 781 E . 1.586 1.988 1.003 H H 0.900 782 E . 1.586 2.637 1.042 H H 0.900 783 E . 1.957 3.571 1.067 H H 0.900 784 D . 1.686 1.701 1.075 t H 1.100 785 S . 1.314 1.032 1.058 T H 1.300 786 S . 0.271 0.492 1.017 T H 0.850 787 L . -0.871 0.206 0.968 B H -0.600 788 W . -1.971 0.114 0.924 B H -0.600 789 L . -2.629 0.070 0.902 B H -0.600 790 I . -3.286 0.070 0.895 B H -0.600 791 V . -3.286 0.055 0.902 B H -0.600 792 L . -4.057 0.047 0.910 B H -0.600 793 L . -3.914 0.058 0.910 B B -0.600 794 L . -3.814 0.064 0.910 B B -0.600 795 I . -3.857 0.055 0.904 B B -0.600 796 F . -3.957 0.047 0.901 B B -0.600 797 L . -4.014 0.042 0.898 B B -0.600 798 I . -3.729 0.060 0.893 B B -0.600 799 I . -3.686 0.052 0.893 B B -0.600 800 V . -3.886 0.047 0.898 B B -0.600 801 A . -3.286 0.066 0.902 B B -0.600 802 V . -3.286 0.066 0.909 B B -0.600 803 V . -3.286 0.062 0.911 B B -0.600 804 G . -2.943 0.062 0.906 B B -0.600 805 I . -3.086 0.072 0.901 B B -0.600 806 I . -3.029 0.080 0.898 B B -0.600 807 A . -2.300 0.085 0.892 B B -0.600 808 F . -2.757 0.106 0.891 B B -0.600 809 L . -2.000 0.202 0.898 B H -0.600 810 W . -0.857 0.346 0.918 B H -0.600 811 F . -0.100 0.692 0.966 B H -0.300 812 S . 0.800 1.453 1.020 h H 0.900 813 Q . 1.800 1.880 1.059 h H 0.900 814 Q . 1.400 2.149 1.065 h H 0.900 815 E . 2.357 3.207 1.042 h H 0.900 816 H . 2.743 3.092 1.016 h H 0.900 817 M . 1.643 1.325 0.993 h T 1.150 818 K . 0.500 0.536 0.992 h T 0.700 819 D . 0.114 0.528 0.993 h T 0.700 820 V . -0.243 0.770 0.989 B B -0.300 821 I . -0.229 0.389 0.994 B B -0.300 822 S . -0.143 0.456 0.997 B B -0.300 823 T . -1.243 0.456 0.998 B B -0.600 824 A . 0.000 1.275 0.992 B H -0.150 825 R . 0.043 0.706 0.975 B H 0.300 826 V . 0.429 0.817 0.970 B H 0.300 827 R . 0.829 1.301 0.970 B H 0.750 828 V . 0.814 0.657 0.977 B H 0.600 829 D . -0.086 0.895 0.986 . H -0.300 830 N . 1.157 0.895 0.979 . H 0.600 831 M . 1.071 2.411 0.975 H H 0.750 832 A . 1.414 1.458 0.985 H H 0.750 833 R . 1.414 1.571 1.003 H H 0.900 834 K . 1.414 2.650 1.028 H H 0.900 835 A . 1.429 2.650 1.040 H H 0.900 836 E . 1.429 1.367 1.032 H H 0.900 837 D . 0.529 0.691 1.012 H H 0.750 838 A . 0.200 1.057 0.979 H H 0.450 839 A . -0.186 0.428 0.951 H H -0.300 840 A . -1.286 0.190 0.934 H H -0.600 841 P . -1.286 0.326 0.929 h H -0.600 842 I . -0.471 0.645 0.943 h H -0.600 843 V . -0.614 0.553 0.962 h H -0.600 844 E . 0.286 0.701 0.986 h H 0.300 845 K . 0.614 1.999 1.007 h H 0.900 846 F . 0.657 1.999 1.012 h H 0.900 847 R . 1.357 1.666 1.023 h H 0.900 848 K . 1.357 1.391 1.027 h H 0.900 849 V . 1.357 3.212 1.030 h H 0.900 850 T . 2.257 2.840 1.049 h T 1.300 851 D . 2.257 2.782 1.061 h T 1.300 852 K . 1.814 5.023 1.081 h T 1.300 853 Q . 2.514 5.023 1.099 h T 1.300 854 R . 2.643 4.650 1.098 t T 1.500 855 S . 2.371 3.596 1.100 t . 1.100 856 T . 2.457 4.067 1.085 . . 0.900 857 P . 2.457 3.596 1.072 . . 0.900 858 P . 1.871 2.655 1.065 T T 1.700 859 R . 1.400 0.986 1.052 T T 1.550 860 E . 1.800 1.105 1.046 t T 1.500 861 G . 1.671 1.031 1.036 t T 1.500 862 C . 1.186 0.532 1.026 B T 1.150 863 Q . 0.643 0.443 1.028 B T 1.150 864 T . 0.643 0.720 1.030 B B 0.750 865 A . -0.014 0.997 1.030 B B -0.150 866 T . 0.843 0.961 1.023 B B 0.750 867 N . -0.057 0.577 1.002 B B -0.150 868 V . -0.757 0.424 0.977 B B -0.600 869 D . -0.386 0.394 0.953 B B -0.300 870 F . -0.300 0.383 0.938 B B -0.300 871 V . -0.300 0.895 0.939 B B -0.300 872 S . 0.400 0.773 0.954 . B 0.300 873 Y . 0.400 1.436 0.977 . H 0.450 874 E . 0.543 1.955 1.005 . H 0.900 875 T . 1.643 2.526 1.024 . H 0.900 876 N . 2.086 3.224 1.035 . H 0.900 877 A . 2.543 3.646 1.043 H H 0.900 878 E . 1.400 1.771 1.043 H H 0.900 879 K . 1.943 2.157 1.035 H H 0.900 880 R . 1.171 2.113 1.016 H H 0.900 881 I . 1.929 2.037 1.000 H H 0.900 882 R . 1.543 1.365 0.997 H T 1.150 883 M . 1.100 0.934 1.019 H T 1.150 884 D . 0.686 2.061 1.056 H . 0.900 885 S . 1.429 1.518 1.089 T . 1.300 886 S . 0.900 2.056 1.104 T . 1.300 887 P . 1.357 1.929 1.089 T . 1.300 888 T . 0.914 1.425 1.067 T T 1.700 889 S . 1.300 1.710 1.048 T T 1.700 890 Y . 1.414 1.710 1.040 T T 1.700 891 G . 0.914 1.172 1.038 t . 1.100 892 N . 1.000 1.371 1.030 t . 1.100 893 P . 1.386 1.461 1.017 t . 1.100 894 M . 1.700 2.556 0.999 t . 0.950 895 Y . 1.043 1.180 0.995 t B 0.950 896 D . 0.771 1.180 1.007 . B 0.900 897 E . 1.043 2.065 1.021 . B 0.900 898 V . 1.429 1.766 1.047 . B 0.900 899 P . 1.357 1.417 1.077 T . 1.300 900 E . 0.957 1.181 1.097 T . 1.300 901 S . 0.514 1.575 1.113 t . 1.100 902 S . 0.714 0.882 1.104 t . 0.950 903 T . -0.114 0.378 1.069 B T 0.250 904 G . 0.029 0.552 1.032 B T 0.850 905 F . 0.029 0.552 0.998 B T 0.700 906 V . -0.343 0.387 0.989 B . -0.300 907 R . -0.329 0.524 0.994 B . -0.300 908 S . -0.643 0.611 1.003 . . -0.450 909 A . -0.014 1.272 1.005 . . 0.000 910 S . 0.186 0.563 0.990 . . 0.300 911 A . -0.714 0.424 0.977 . . -0.600 912 P . -0.771 0.415 0.956 . . -0.600 913 F . -1.114 0.230 0.941 B . -0.600 914 A . -1.871 0.160 0.934 B B -0.600 915 G . -0.971 0.202 0.922 B B -0.600 916 V . -1.600 0.202 0.918 B B -0.600 917 I . -0.700 0.347 0.921 B B -0.600 918 R . 0.057 0.563 0.940 B B 0.300 919 F . 0.500 1.268 0.969 B B 0.450 920 E . 1.214 2.423 1.006 . T 1.300 921 N g 1.314 1.020 1.031 t T 1.500 922 D . 0.129 0.972 1.000 T T 1.250 923 S . 0.617 0.717 1.000 T . 1.150 924 L . 0.040 0.570 1.000 . . 0.450 925 L . -0.825 0.436 1.000 . . -0.450