Gyas ROwers Mature At Cryogenic Speed 3222 1NILE N 1 -0.810 0.960 2.031 1NILE H1 2 -0.891 0.940 2.086 1NILE H2 3 -0.727 0.943 2.085 1NILE H3 4 -0.812 1.055 2.000 1NILE CA 5 -0.808 0.871 1.911 1NILE HA 6 -0.720 0.890 1.853 1NILE CB 7 -0.812 0.720 1.959 1NILE HB 8 -0.902 0.707 2.016 1NILE CG2 9 -0.814 0.626 1.837 1NILE HG21 10 -0.726 0.643 1.778 1NILE HG22 11 -0.817 0.524 1.871 1NILE HG23 12 -0.901 0.647 1.778 1NILE CG1 13 -0.696 0.685 2.055 1NILE HG11 14 -0.714 0.588 2.098 1NILE HG12 15 -0.691 0.757 2.134 1NILE CD 16 -0.559 0.682 1.980 1NILE HD1 17 -0.541 0.779 1.938 1NILE HD2 18 -0.481 0.657 2.049 1NILE HD3 19 -0.563 0.609 1.901 1NILE C 20 -0.935 0.897 1.829 1NILE O 21 -1.049 0.886 1.883 2VAL N 22 -0.918 0.928 1.703 2VAL H 23 -0.825 0.942 1.669 2VAL CA 24 -1.033 0.943 1.609 2VAL HA 25 -1.122 0.959 1.666 2VAL CB 26 -1.004 1.061 1.513 2VAL HB 27 -0.922 1.036 1.448 2VAL CG1 28 -1.128 1.089 1.424 2VAL HG11 29 -1.211 1.114 1.487 2VAL HG12 30 -1.106 1.172 1.359 2VAL HG13 31 -1.150 1.002 1.367 2VAL CG2 32 -0.963 1.189 1.596 2VAL HG21 33 -0.875 1.166 1.653 2VAL HG22 34 -0.943 1.270 1.529 2VAL HG23 35 -1.044 1.215 1.662 2VAL C 36 -1.049 0.817 1.521 2VAL O 37 -0.948 0.764 1.468 3GLY N 38 -1.171 0.774 1.510 3GLY H 39 -1.244 0.815 1.563 3GLY CA 40 -1.199 0.664 1.418 3GLY HA1 41 -1.149 0.683 1.325 3GLY HA2 42 -1.305 0.660 1.401 3GLY C 43 -1.152 0.528 1.473 3GLY O 44 -1.119 0.441 1.388 4GLY N 45 -1.138 0.513 1.609 4GLY H 46 -1.164 0.588 1.670 4GLY CA 47 -1.084 0.388 1.667 4GLY HA1 48 -1.007 0.412 1.737 4GLY HA2 49 -1.042 0.328 1.589 4GLY C 50 -1.195 0.309 1.738 4GLY O 51 -1.315 0.327 1.707 5TYR N 52 -1.159 0.227 1.835 5TYR H 53 -1.063 0.220 1.860 5TYR CA 54 -1.258 0.146 1.906 5TYR HA 55 -1.357 0.187 1.897 5TYR CB 56 -1.264 0.002 1.842 5TYR HB1 57 -1.292 0.012 1.739 5TYR HB2 58 -1.338 -0.055 1.893 5TYR CG 59 -1.129 -0.073 1.849 5TYR CD1 60 -1.101 -0.169 1.946 5TYR HD1 61 -1.175 -0.194 2.020 5TYR CE1 62 -0.976 -0.233 1.947 5TYR HE1 63 -0.953 -0.306 2.023 5TYR CZ 64 -0.882 -0.201 1.849 5TYR OH 65 -0.751 -0.259 1.844 5TYR HH 66 -0.704 -0.239 1.925 5TYR CE2 67 -0.910 -0.105 1.754 5TYR HE2 68 -0.837 -0.080 1.680 5TYR CD2 69 -1.034 -0.043 1.755 5TYR HD2 70 -1.056 0.031 1.680 5TYR C 71 -1.220 0.143 2.052 5TYR O 72 -1.109 0.187 2.088 6THR N 73 -1.313 0.107 2.132 6THR H 74 -1.403 0.085 2.095 6THR CA 75 -1.293 0.097 2.278 6THR HA 76 -1.244 0.186 2.311 6THR CB 77 -1.431 0.075 2.345 6THR HB 78 -1.476 -0.014 2.307 6THR CG2 79 -1.416 0.056 2.497 6THR HG21 80 -1.371 0.143 2.540 6THR HG22 81 -1.513 0.041 2.540 6THR HG23 82 -1.355 -0.030 2.516 6THR OG1 83 -1.511 0.185 2.315 6THR HG1 84 -1.521 0.192 2.220 6THR C 85 -1.212 -0.027 2.310 6THR O 86 -1.247 -0.140 2.265 7CYS2 N 87 -1.097 -0.004 2.362 7CYS2 H 88 -1.072 0.087 2.393 7CYS2 CA 89 -1.002 -0.115 2.374 7CYS2 HA 90 -0.976 -0.148 2.275 7CYS2 CB 91 -0.884 -0.064 2.457 7CYS2 HB1 92 -0.816 -0.145 2.472 7CYS2 HB2 93 -0.921 -0.031 2.552 7CYS2 SG 94 -0.793 0.073 2.380 7CYS2 C 95 -1.060 -0.228 2.458 7CYS2 O 96 -1.025 -0.344 2.433 8GLY N 97 -1.130 -0.196 2.566 8GLY H 98 -1.156 -0.101 2.580 8GLY CA 99 -1.171 -0.295 2.666 8GLY HA1 100 -1.164 -0.394 2.625 8GLY HA2 101 -1.273 -0.277 2.695 8GLY C 102 -1.080 -0.283 2.787 8GLY O 103 -0.959 -0.252 2.769 9ALA N 104 -1.139 -0.291 2.908 9ALA H 105 -1.236 -0.316 2.914 9ALA CA 106 -1.064 -0.262 3.033 9ALA HA 107 -1.027 -0.162 3.024 9ALA CB 108 -1.159 -0.268 3.155 9ALA HB1 109 -1.202 -0.366 3.162 9ALA HB2 110 -1.102 -0.247 3.244 9ALA HB3 111 -1.236 -0.195 3.143 9ALA C 112 -0.938 -0.349 3.050 9ALA O 113 -0.944 -0.475 3.039 10ASN N 114 -0.824 -0.282 3.070 10ASN H 115 -0.828 -0.182 3.065 10ASN CA 116 -0.694 -0.340 3.099 10ASN HA 117 -0.623 -0.261 3.103 10ASN CB 118 -0.694 -0.412 3.233 10ASN HB1 119 -0.594 -0.441 3.257 10ASN HB2 120 -0.756 -0.499 3.228 10ASN CG 121 -0.747 -0.318 3.344 10ASN OD1 122 -0.685 -0.213 3.378 10ASN ND2 123 -0.857 -0.358 3.401 10ASN HD21 124 -0.898 -0.303 3.474 10ASN HD22 125 -0.899 -0.444 3.373 10ASN C 126 -0.655 -0.437 2.988 10ASN O 127 -0.558 -0.515 3.008 11THR N 128 -0.709 -0.414 2.868 11THR H 129 -0.786 -0.351 2.855 11THR CA 130 -0.648 -0.488 2.754 11THR HA 131 -0.626 -0.585 2.795 11THR CB 132 -0.746 -0.499 2.636 11THR HB 133 -0.701 -0.565 2.565 11THR CG2 134 -0.882 -0.557 2.676 11THR HG21 135 -0.926 -0.493 2.750 11THR HG22 136 -0.945 -0.561 2.590 11THR HG23 137 -0.867 -0.655 2.716 11THR OG1 138 -0.769 -0.370 2.580 11THR HG1 139 -0.685 -0.334 2.550 11THR C 140 -0.515 -0.430 2.703 11THR O 141 -0.448 -0.493 2.618 12VAL N 142 -0.473 -0.313 2.750 12VAL H 143 -0.531 -0.264 2.816 12VAL CA 144 -0.345 -0.251 2.709 12VAL HA 145 -0.296 -0.323 2.647 12VAL CB 146 -0.368 -0.120 2.628 12VAL HB 147 -0.406 -0.048 2.698 12VAL CG1 148 -0.234 -0.067 2.571 12VAL HG11 149 -0.191 -0.141 2.506 12VAL HG12 150 -0.252 0.023 2.516 12VAL HG13 151 -0.167 -0.047 2.652 12VAL CG2 152 -0.477 -0.130 2.518 12VAL HG21 153 -0.570 -0.156 2.564 12VAL HG22 154 -0.485 -0.036 2.468 12VAL HG23 155 -0.449 -0.206 2.448 12VAL C 156 -0.258 -0.218 2.832 12VAL O 157 -0.271 -0.108 2.889 13PRO N 158 -0.206 -0.319 2.897 13PRO CD 159 -0.170 -0.452 2.839 13PRO HD1 160 -0.257 -0.499 2.797 13PRO HD2 161 -0.096 -0.440 2.763 13PRO CG 162 -0.115 -0.536 2.958 13PRO HG1 163 -0.171 -0.627 2.967 13PRO HG2 164 -0.012 -0.561 2.939 13PRO CB 165 -0.126 -0.454 3.087 13PRO HB1 166 -0.199 -0.498 3.153 13PRO HB2 167 -0.032 -0.450 3.138 13PRO CA 168 -0.171 -0.312 3.042 13PRO HA 169 -0.257 -0.275 3.096 13PRO C 170 -0.052 -0.218 3.068 13PRO O 171 -0.024 -0.190 3.185 14TYR N 172 0.020 -0.177 2.963 14TYR H 173 -0.007 -0.207 2.871 14TYR CA 174 0.137 -0.088 2.977 14TYR HA 175 0.178 -0.106 3.075 14TYR CB 176 0.245 -0.117 2.871 14TYR HB1 177 0.298 -0.207 2.897 14TYR HB2 178 0.315 -0.036 2.868 14TYR CG 179 0.180 -0.134 2.731 14TYR CD1 180 0.155 -0.023 2.652 14TYR HD1 181 0.183 0.074 2.688 14TYR CE1 182 0.094 -0.036 2.526 14TYR HE1 183 0.073 0.051 2.467 14TYR CZ 184 0.059 -0.164 2.480 14TYR OH 185 -0.001 -0.181 2.352 14TYR HH 186 -0.017 -0.275 2.337 14TYR CE2 187 0.083 -0.277 2.562 14TYR HE2 188 0.055 -0.375 2.528 14TYR CD2 189 0.144 -0.261 2.688 14TYR HD2 190 0.161 -0.346 2.750 14TYR C 191 0.093 0.057 2.964 14TYR O 192 0.183 0.147 2.977 15GLN N 193 -0.037 0.077 2.929 15GLN H 194 -0.100 -0.001 2.918 15GLN CA 195 -0.084 0.217 2.906 15GLN HA 196 -0.016 0.263 2.836 15GLN CB 197 -0.224 0.225 2.838 15GLN HB1 198 -0.292 0.164 2.893 15GLN HB2 199 -0.216 0.186 2.738 15GLN CG 200 -0.283 0.371 2.829 15GLN HG1 201 -0.263 0.421 2.922 15GLN HG2 202 -0.389 0.364 2.816 15GLN CD 203 -0.225 0.457 2.714 15GLN OE1 204 -0.196 0.581 2.730 15GLN NE2 205 -0.228 0.399 2.595 15GLN HE21 206 -0.192 0.448 2.516 15GLN HE22 207 -0.266 0.307 2.585 15GLN C 208 -0.082 0.293 3.039 15GLN O 209 -0.152 0.247 3.133 16VAL N 210 -0.025 0.414 3.042 16VAL H 211 0.025 0.448 2.962 16VAL CA 212 -0.036 0.498 3.165 16VAL HA 213 -0.087 0.453 3.247 16VAL CB 214 0.114 0.526 3.200 16VAL HB 215 0.150 0.555 3.103 16VAL CG1 216 0.158 0.658 3.259 16VAL HG11 217 0.108 0.672 3.353 16VAL HG12 218 0.264 0.656 3.275 16VAL HG13 219 0.133 0.737 3.192 16VAL CG2 220 0.194 0.399 3.238 16VAL HG21 221 0.192 0.330 3.156 16VAL HG22 222 0.295 0.426 3.260 16VAL HG23 223 0.149 0.354 3.324 16VAL C 224 -0.117 0.624 3.132 16VAL O 225 -0.109 0.673 3.015 17SER N 226 -0.172 0.683 3.235 17SER H 227 -0.182 0.634 3.322 17SER CA 228 -0.220 0.822 3.224 17SER HA 229 -0.215 0.857 3.122 17SER CB 230 -0.367 0.832 3.268 17SER HB1 231 -0.380 0.775 3.358 17SER HB2 232 -0.429 0.790 3.191 17SER OG 233 -0.412 0.968 3.293 17SER HG 234 -0.485 0.988 3.234 17SER C 235 -0.131 0.908 3.315 17SER O 236 -0.106 0.869 3.432 18LEU N 237 -0.087 1.021 3.262 18LEU H 238 -0.101 1.037 3.164 18LEU CA 239 -0.018 1.123 3.341 18LEU HA 240 0.033 1.078 3.424 18LEU CB 241 0.089 1.196 3.254 18LEU HB1 242 0.139 1.268 3.315 18LEU HB2 243 0.038 1.247 3.174 18LEU CG 244 0.194 1.101 3.192 18LEU HG 245 0.146 1.042 3.116 18LEU CD1 246 0.308 1.182 3.128 18LEU HD11 247 0.355 1.242 3.203 18LEU HD12 248 0.380 1.114 3.086 18LEU HD13 249 0.267 1.244 3.050 18LEU CD2 250 0.249 1.004 3.299 18LEU HD21 251 0.168 0.946 3.339 18LEU HD22 252 0.322 0.939 3.254 18LEU HD23 253 0.295 1.061 3.378 18LEU C 254 -0.123 1.225 3.392 18LEU O 255 -0.200 1.282 3.310 19ASN N 256 -0.125 1.239 3.521 19ASN H 257 -0.054 1.193 3.575 19ASN CA 258 -0.225 1.319 3.593 19ASN HA 259 -0.290 1.364 3.521 19ASN CB 260 -0.315 1.230 3.683 19ASN HB1 261 -0.255 1.191 3.763 19ASN HB2 262 -0.352 1.148 3.624 19ASN CG 263 -0.434 1.304 3.743 19ASN OD1 264 -0.415 1.390 3.833 19ASN ND2 265 -0.553 1.274 3.693 19ASN HD21 266 -0.635 1.319 3.728 19ASN HD22 267 -0.562 1.206 3.620 19ASN C 268 -0.157 1.433 3.670 19ASN O 269 -0.061 1.412 3.751 20SER N 270 -0.212 1.554 3.647 20SER H 271 -0.278 1.568 3.573 20SER CA 272 -0.169 1.663 3.733 20SER HA 273 -0.110 1.623 3.813 20SER CB 274 -0.077 1.762 3.658 20SER HB1 275 0.010 1.711 3.624 20SER HB2 276 -0.048 1.841 3.725 20SER OG 277 -0.147 1.819 3.545 20SER HG 278 -0.225 1.865 3.576 20SER C 279 -0.290 1.730 3.798 20SER O 280 -0.306 1.853 3.778 21GLY N 281 -0.388 1.651 3.841 21GLY H 282 -0.373 1.553 3.846 21GLY CA 283 -0.521 1.707 3.882 21GLY HA1 284 -0.512 1.814 3.893 21GLY HA2 285 -0.550 1.664 3.975 21GLY C 286 -0.627 1.676 3.777 21GLY O 287 -0.750 1.689 3.798 22TYR N 288 -0.573 1.632 3.663 22TYR H 289 -0.474 1.626 3.659 22TYR CA 290 -0.648 1.593 3.543 22TYR HA 291 -0.729 1.530 3.575 22TYR CB 292 -0.716 1.713 3.468 22TYR HB1 293 -0.793 1.756 3.529 22TYR HB2 294 -0.760 1.679 3.376 22TYR CG 295 -0.608 1.820 3.438 22TYR CD1 296 -0.579 1.913 3.536 22TYR HD1 297 -0.638 1.918 3.625 22TYR CE1 298 -0.473 2.000 3.518 22TYR HE1 299 -0.448 2.072 3.593 22TYR CZ 300 -0.398 1.994 3.398 22TYR OH 301 -0.289 2.090 3.379 22TYR HH 302 -0.326 2.179 3.382 22TYR CE2 303 -0.432 1.904 3.297 22TYR HE2 304 -0.378 1.903 3.205 22TYR CD2 305 -0.536 1.816 3.319 22TYR HD2 306 -0.561 1.744 3.243 22TYR C 307 -0.555 1.515 3.449 22TYR O 308 -0.432 1.536 3.456 23HIE N 309 -0.613 1.429 3.362 23HIE H 310 -0.711 1.412 3.369 23HIE CA 311 -0.536 1.359 3.258 23HIE HA 312 -0.455 1.305 3.302 23HIE CB 313 -0.631 1.260 3.184 23HIE HB1 314 -0.720 1.313 3.153 23HIE HB2 315 -0.659 1.181 3.250 23HIE CG 316 -0.562 1.200 3.058 23HIE ND1 317 -0.465 1.100 3.067 23HIE CE1 318 -0.417 1.077 2.939 23HIE HE1 319 -0.343 1.004 2.912 23HIE NE2 320 -0.481 1.166 2.852 23HIE HE2 321 -0.466 1.174 2.754 23HIE CD2 322 -0.571 1.242 2.929 23HIE HD2 323 -0.635 1.319 2.892 23HIE C 324 -0.485 1.462 3.157 23HIE O 325 -0.568 1.538 3.100 24PHE N 326 -0.359 1.458 3.131 24PHE H 327 -0.299 1.395 3.180 24PHE CA 328 -0.307 1.546 3.028 24PHE HA 329 -0.392 1.584 2.977 24PHE CB 330 -0.229 1.663 3.092 24PHE HB1 331 -0.291 1.707 3.167 24PHE HB2 332 -0.210 1.735 3.015 24PHE CG 333 -0.094 1.624 3.157 24PHE CD1 334 0.022 1.629 3.083 24PHE HD1 335 0.019 1.662 2.981 24PHE CE1 336 0.144 1.592 3.140 24PHE HE1 337 0.233 1.594 3.081 24PHE CZ 338 0.149 1.554 3.272 24PHE HZ 339 0.242 1.524 3.317 24PHE CE2 340 0.032 1.553 3.347 24PHE HE2 341 0.036 1.526 3.451 24PHE CD2 342 -0.088 1.587 3.289 24PHE HD2 343 -0.178 1.584 3.348 24PHE C 344 -0.223 1.475 2.919 24PHE O 345 -0.191 1.536 2.813 25CYS2 N 346 -0.174 1.352 2.943 25CYS2 H 347 -0.194 1.304 3.029 25CYS2 CA 348 -0.092 1.291 2.839 25CYS2 HA 349 -0.127 1.310 2.740 25CYS2 CB 350 0.054 1.348 2.852 25CYS2 HB1 351 0.124 1.268 2.833 25CYS2 HB2 352 0.069 1.382 2.953 25CYS2 SG 353 0.090 1.485 2.739 25CYS2 C 354 -0.092 1.143 2.876 25CYS2 O 355 -0.116 1.115 2.997 26GLY N 356 -0.062 1.060 2.776 26GLY H 357 -0.057 1.096 2.683 26GLY CA 358 -0.036 0.921 2.798 26GLY HA1 359 -0.068 0.865 2.712 26GLY HA2 360 -0.091 0.888 2.883 26GLY C 361 0.113 0.894 2.821 26GLY O 362 0.201 0.986 2.821 27GLY N 363 0.145 0.765 2.834 27GLY H 364 0.073 0.697 2.825 27GLY CA 365 0.280 0.719 2.861 27GLY HA1 366 0.312 0.752 2.957 27GLY HA2 367 0.348 0.757 2.787 27GLY C 368 0.281 0.567 2.856 27GLY O 369 0.169 0.508 2.846 28SER N 370 0.401 0.510 2.864 28SER H 371 0.483 0.565 2.873 28SER CA 372 0.410 0.361 2.859 28SER HA 373 0.311 0.323 2.869 28SER CB 374 0.476 0.316 2.724 28SER HB1 375 0.488 0.210 2.723 28SER HB2 376 0.573 0.362 2.714 28SER OG 377 0.392 0.356 2.614 28SER HG 378 0.382 0.452 2.615 28SER C 379 0.502 0.311 2.967 28SER O 380 0.613 0.369 2.982 29LEU N 381 0.458 0.204 3.033 29LEU H 382 0.370 0.164 3.008 29LEU CA 383 0.536 0.142 3.142 29LEU HA 384 0.586 0.219 3.198 29LEU CB 385 0.439 0.064 3.234 29LEU HB1 386 0.407 -0.026 3.184 29LEU HB2 387 0.353 0.125 3.254 29LEU CG 388 0.505 0.025 3.370 29LEU HG 389 0.597 -0.022 3.339 29LEU CD1 390 0.547 0.144 3.459 29LEU HD11 391 0.460 0.202 3.483 29LEU HD12 392 0.591 0.106 3.549 29LEU HD13 393 0.617 0.205 3.405 29LEU CD2 394 0.423 -0.078 3.450 29LEU HD21 395 0.412 -0.167 3.392 29LEU HD22 396 0.474 -0.100 3.542 29LEU HD23 397 0.326 -0.036 3.472 29LEU C 398 0.642 0.048 3.084 29LEU O 399 0.604 -0.042 3.004 30ILE N 400 0.766 0.078 3.109 30ILE H 401 0.787 0.155 3.170 30ILE CA 402 0.876 0.001 3.050 30ILE HA 403 0.827 -0.067 2.983 30ILE CB 404 0.973 0.086 2.965 30ILE HB 405 1.053 0.020 2.936 30ILE CG2 406 0.906 0.136 2.833 30ILE HG21 407 0.821 0.196 2.857 30ILE HG22 408 0.978 0.194 2.778 30ILE HG23 409 0.876 0.051 2.775 30ILE CG1 410 1.044 0.199 3.046 30ILE HG11 411 1.079 0.159 3.139 30ILE HG12 412 0.975 0.278 3.065 30ILE CD 413 1.164 0.253 2.964 30ILE HD1 414 1.128 0.292 2.871 30ILE HD2 415 1.212 0.331 3.021 30ILE HD3 416 1.233 0.173 2.946 30ILE C 417 0.952 -0.081 3.152 30ILE O 418 1.022 -0.175 3.110 31ASN N 419 0.922 -0.059 3.276 31ASN H 420 0.872 0.024 3.301 31ASN CA 421 0.961 -0.156 3.379 31ASN HA 422 0.931 -0.253 3.345 31ASN CB 423 1.113 -0.171 3.403 31ASN HB1 424 1.158 -0.205 3.312 31ASN HB2 425 1.127 -0.245 3.479 31ASN CG 426 1.186 -0.044 3.447 31ASN OD1 427 1.291 -0.013 3.386 31ASN ND2 428 1.128 0.037 3.528 31ASN HD21 429 1.174 0.120 3.558 31ASN HD22 430 1.036 0.016 3.562 31ASN C 431 0.892 -0.113 3.506 31ASN O 432 0.810 -0.020 3.494 32SER N 433 0.922 -0.179 3.616 32SER H 434 0.998 -0.244 3.619 32SER CA 435 0.840 -0.152 3.735 32SER HA 436 0.738 -0.161 3.703 32SER CB 437 0.867 -0.257 3.846 32SER HB1 438 0.871 -0.356 3.804 32SER HB2 439 0.788 -0.254 3.920 32SER OG 440 0.991 -0.224 3.907 32SER HG 441 0.985 -0.136 3.944 32SER C 442 0.855 -0.009 3.789 32SER O 443 0.773 0.037 3.869 33GLN N 444 0.956 0.064 3.749 33GLN H 445 1.016 0.030 3.676 33GLN CA 446 0.980 0.194 3.810 33GLN HA 447 0.893 0.221 3.867 33GLN CB 448 1.108 0.176 3.895 33GLN HB1 449 1.194 0.212 3.841 33GLN HB2 450 1.123 0.073 3.920 33GLN CG 451 1.085 0.259 4.019 33GLN HG1 452 0.985 0.241 4.054 33GLN HG2 453 1.094 0.363 3.994 33GLN CD 454 1.183 0.225 4.129 33GLN OE1 455 1.170 0.311 4.222 33GLN NE2 456 1.299 0.163 4.089 33GLN HE21 457 1.368 0.138 4.157 33GLN HE22 458 1.314 0.142 3.993 33GLN C 459 0.994 0.314 3.713 33GLN O 460 1.028 0.429 3.757 34TRP N 461 0.981 0.285 3.583 34TRP H 462 0.950 0.193 3.560 34TRP CA 463 1.007 0.378 3.472 34TRP HA 464 1.013 0.473 3.520 34TRP CB 465 1.141 0.350 3.399 34TRP HB1 466 1.146 0.412 3.312 34TRP HB2 467 1.145 0.247 3.371 34TRP CG 468 1.263 0.382 3.491 34TRP CD1 469 1.325 0.301 3.582 34TRP HD1 470 1.299 0.199 3.602 34TRP NE1 471 1.429 0.373 3.647 34TRP HE1 472 1.489 0.336 3.718 34TRP CE2 473 1.434 0.492 3.598 34TRP CZ2 474 1.524 0.595 3.626 34TRP HZ2 475 1.604 0.582 3.697 34TRP CH2 476 1.505 0.715 3.559 34TRP HH2 477 1.570 0.798 3.579 34TRP CZ3 478 1.400 0.731 3.464 34TRP HZ3 479 1.389 0.826 3.416 34TRP CE3 480 1.311 0.627 3.433 34TRP HE3 481 1.232 0.639 3.361 34TRP CD2 482 1.331 0.506 3.500 34TRP C 483 0.896 0.381 3.369 34TRP O 484 0.843 0.273 3.327 35VAL N 485 0.862 0.506 3.332 35VAL H 486 0.905 0.582 3.380 35VAL CA 487 0.765 0.537 3.226 35VAL HA 488 0.728 0.446 3.183 35VAL CB 489 0.644 0.614 3.286 35VAL HB 490 0.686 0.691 3.347 35VAL CG1 491 0.557 0.695 3.185 35VAL HG11 492 0.516 0.628 3.112 35VAL HG12 493 0.477 0.743 3.238 35VAL HG13 494 0.618 0.768 3.136 35VAL CG2 495 0.559 0.519 3.372 35VAL HG21 496 0.620 0.480 3.452 35VAL HG22 497 0.476 0.573 3.413 35VAL HG23 498 0.524 0.438 3.311 35VAL C 499 0.832 0.617 3.112 35VAL O 500 0.917 0.706 3.143 36VAL N 501 0.796 0.581 2.988 36VAL H 502 0.740 0.500 2.971 36VAL CA 503 0.843 0.665 2.875 36VAL HA 504 0.916 0.733 2.915 36VAL CB 505 0.910 0.582 2.765 36VAL HB 506 0.984 0.519 2.810 36VAL CG1 507 0.804 0.498 2.694 36VAL HG11 508 0.730 0.563 2.651 36VAL HG12 509 0.851 0.440 2.617 36VAL HG13 510 0.757 0.433 2.766 36VAL CG2 511 0.977 0.676 2.663 36VAL HG21 512 1.051 0.735 2.713 36VAL HG22 513 1.023 0.616 2.587 36VAL HG23 514 0.902 0.739 2.619 36VAL C 515 0.725 0.747 2.815 36VAL O 516 0.608 0.699 2.815 37SER N 517 0.744 0.878 2.800 37SER H 518 0.832 0.917 2.828 37SER CA 519 0.640 0.968 2.742 37SER HA 520 0.568 0.910 2.688 37SER CB 521 0.564 1.044 2.857 37SER HB1 522 0.630 1.117 2.899 37SER HB2 523 0.538 0.973 2.933 37SER OG 524 0.439 1.113 2.813 37SER HG 525 0.379 1.048 2.776 37SER C 526 0.708 1.067 2.643 37SER O 527 0.823 1.047 2.599 38ALA N 528 0.633 1.166 2.603 38ALA H 529 0.539 1.170 2.637 38ALA CA 530 0.677 1.274 2.512 38ALA HA 531 0.755 1.238 2.447 38ALA CB 532 0.556 1.319 2.422 38ALA HB1 533 0.477 1.355 2.485 38ALA HB2 534 0.588 1.397 2.356 38ALA HB3 535 0.521 1.235 2.365 38ALA C 536 0.733 1.393 2.595 38ALA O 537 0.675 1.424 2.704 39ALA N 538 0.852 1.438 2.557 39ALA H 539 0.901 1.392 2.483 39ALA CA 540 0.912 1.554 2.620 39ALA HA 541 0.934 1.532 2.723 39ALA CB 542 1.041 1.588 2.546 39ALA HB1 543 1.018 1.610 2.444 39ALA HB2 544 1.087 1.674 2.592 39ALA HB3 545 1.108 1.505 2.552 39ALA C 546 0.815 1.674 2.617 39ALA O 547 0.809 1.752 2.717 40HIP N 548 0.735 1.687 2.510 40HIP H 549 0.744 1.625 2.431 40HIP CA 550 0.633 1.794 2.511 40HIP HA 551 0.689 1.879 2.546 40HIP CB 552 0.583 1.830 2.372 40HIP HB1 553 0.661 1.811 2.301 40HIP HB2 554 0.558 1.934 2.370 40HIP CG 555 0.459 1.749 2.333 40HIP ND1 556 0.472 1.637 2.249 40HIP HD1 557 0.558 1.601 2.212 40HIP CE1 558 0.343 1.586 2.228 40HIP HE1 559 0.319 1.501 2.167 40HIP NE2 560 0.252 1.667 2.300 40HIP HE2 561 0.153 1.654 2.305 40HIP CD2 562 0.327 1.768 2.364 40HIP HD2 563 0.287 1.847 2.425 40HIP C 564 0.522 1.786 2.618 40HIP O 565 0.451 1.885 2.645 41CYS2 N 566 0.512 1.672 2.686 41CYS2 H 567 0.571 1.596 2.658 41CYS2 CA 568 0.424 1.650 2.799 41CYS2 HA 569 0.334 1.706 2.784 41CYS2 CB 570 0.394 1.500 2.807 41CYS2 HB1 571 0.349 1.479 2.902 41CYS2 HB2 572 0.486 1.445 2.799 41CYS2 SG 573 0.279 1.445 2.672 41CYS2 C 574 0.487 1.696 2.930 41CYS2 O 575 0.424 1.676 3.036 42TYR N 576 0.612 1.739 2.930 42TYR H 577 0.661 1.751 2.843 42TYR CA 578 0.678 1.771 3.059 42TYR HA 579 0.680 1.680 3.117 42TYR CB 580 0.823 1.818 3.034 42TYR HB1 581 0.822 1.891 2.955 42TYR HB2 582 0.882 1.734 3.002 42TYR CG 583 0.889 1.881 3.158 42TYR CD1 584 0.878 2.016 3.174 42TYR HD1 585 0.837 2.076 3.095 42TYR CE1 586 0.921 2.079 3.293 42TYR HE1 587 0.911 2.185 3.305 42TYR CZ 588 0.975 2.001 3.394 42TYR OH 589 1.016 2.068 3.515 42TYR HH 590 1.052 2.003 3.576 42TYR CE2 591 0.990 1.862 3.378 42TYR HE2 592 1.034 1.803 3.455 42TYR CD2 593 0.947 1.802 3.256 42TYR HD2 594 0.958 1.697 3.241 42TYR C 595 0.600 1.875 3.142 42TYR O 596 0.547 1.973 3.086 43LYP N 597 0.587 1.845 3.271 43LYP H 598 0.623 1.757 3.301 43LYP CA 599 0.523 1.928 3.373 43LYP HA 600 0.536 2.031 3.347 43LYP CB 601 0.371 1.895 3.387 43LYP HB1 602 0.327 1.965 3.456 43LYP HB2 603 0.361 1.796 3.427 43LYP CG 604 0.294 1.902 3.254 43LYP HG1 605 0.262 1.804 3.227 43LYP HG2 606 0.360 1.940 3.178 43LYP CD 607 0.172 1.994 3.264 43LYP HD1 608 0.118 1.992 3.172 43LYP HD2 609 0.204 2.094 3.284 43LYP CE 610 0.081 1.946 3.378 43LYP HE1 611 0.138 1.938 3.468 43LYP HE2 612 0.040 1.850 3.353 43LYP NZ 613 -0.028 2.042 3.397 43LYP HZ1 614 -0.080 2.049 3.312 43LYP HZ2 615 -0.086 2.010 3.471 43LYP HZ3 616 0.011 2.131 3.421 43LYP C 617 0.586 1.890 3.506 43LYP O 618 0.631 1.773 3.524 44SER N 619 0.581 1.984 3.604 44SER H 620 0.553 2.077 3.582 44SER CA 621 0.619 1.951 3.746 44SER HA 622 0.706 1.889 3.746 44SER CB 623 0.650 2.082 3.827 44SER HB1 624 0.566 2.148 3.822 44SER HB2 625 0.736 2.131 3.785 44SER OG 626 0.676 2.049 3.964 44SER HG 627 0.752 1.990 3.969 44SER C 628 0.499 1.883 3.811 44SER O 629 0.383 1.911 3.770 45GLY N 630 0.517 1.807 3.914 45GLY H 631 0.610 1.782 3.943 45GLY CA 632 0.401 1.757 3.989 45GLY HA1 633 0.337 1.841 4.011 45GLY HA2 634 0.436 1.716 4.082 45GLY C 635 0.317 1.651 3.919 45GLY O 636 0.191 1.661 3.916 46ILE N 637 0.384 1.560 3.852 46ILE H 638 0.484 1.565 3.848 46ILE CA 639 0.313 1.448 3.783 46ILE HA 640 0.219 1.486 3.748 46ILE CB 641 0.399 1.399 3.663 46ILE HB 642 0.494 1.367 3.703 46ILE CG2 643 0.338 1.276 3.592 46ILE HG21 644 0.241 1.302 3.556 46ILE HG22 645 0.402 1.247 3.511 46ILE HG23 646 0.331 1.196 3.663 46ILE CG1 647 0.424 1.515 3.563 46ILE HG11 648 0.468 1.597 3.615 46ILE HG12 649 0.331 1.546 3.521 46ILE CD 650 0.519 1.473 3.447 46ILE HD1 651 0.475 1.391 3.394 46ILE HD2 652 0.533 1.556 3.381 46ILE HD3 653 0.613 1.443 3.489 46ILE C 654 0.280 1.331 3.878 46ILE O 655 0.368 1.277 3.950 47GLN N 656 0.159 1.286 3.868 47GLN H 657 0.090 1.341 3.822 47GLN CA 658 0.119 1.156 3.923 47GLN HA 659 0.199 1.124 3.986 47GLN CB 660 -0.007 1.165 4.013 47GLN HB1 661 -0.093 1.187 3.953 47GLN HB2 662 0.006 1.242 4.086 47GLN CG 663 -0.029 1.028 4.085 47GLN HG1 664 0.054 1.010 4.151 47GLN HG2 665 -0.034 0.950 4.012 47GLN CD 666 -0.160 1.029 4.167 47GLN OE1 667 -0.155 1.029 4.293 47GLN NE2 668 -0.270 1.049 4.102 47GLN HE21 669 -0.357 1.050 4.151 47GLN HE22 670 -0.268 1.062 4.003 47GLN C 671 0.096 1.056 3.810 47GLN O 672 0.014 1.081 3.717 48VAL N 673 0.164 0.944 3.821 48VAL H 674 0.229 0.929 3.896 48VAL CA 675 0.139 0.840 3.716 48VAL HA 676 0.114 0.887 3.623 48VAL CB 677 0.266 0.756 3.692 48VAL HB 678 0.297 0.711 3.784 48VAL CG1 679 0.238 0.641 3.593 48VAL HG11 680 0.206 0.683 3.500 48VAL HG12 681 0.328 0.585 3.579 48VAL HG13 682 0.162 0.578 3.634 48VAL CG2 683 0.378 0.848 3.642 48VAL HG21 684 0.398 0.923 3.716 48VAL HG22 685 0.467 0.790 3.625 48VAL HG23 686 0.347 0.894 3.550 48VAL C 687 0.021 0.752 3.761 48VAL O 688 0.023 0.699 3.875 49ARG N 689 -0.074 0.730 3.669 49ARG H 690 -0.068 0.778 3.581 49ARG CA 691 -0.187 0.635 3.693 49ARG HA 692 -0.174 0.598 3.793 49ARG CB 693 -0.323 0.711 3.682 49ARG HB1 694 -0.404 0.645 3.705 49ARG HB2 695 -0.337 0.750 3.583 49ARG CG 696 -0.318 0.828 3.785 49ARG HG1 697 -0.238 0.895 3.759 49ARG HG2 698 -0.299 0.789 3.883 49ARG CD 699 -0.451 0.904 3.785 49ARG HD1 700 -0.532 0.834 3.778 49ARG HD2 701 -0.455 0.970 3.701 49ARG NE 702 -0.465 0.981 3.911 49ARG HE 703 -0.381 1.020 3.951 49ARG CZ 704 -0.580 1.003 3.976 49ARG NH1 705 -0.702 0.971 3.923 49ARG HH11 706 -0.785 0.989 3.976 49ARG HH12 707 -0.708 0.930 3.833 49ARG NH2 708 -0.573 1.055 4.097 49ARG HH21 709 -0.657 1.073 4.148 49ARG HH22 710 -0.484 1.077 4.136 49ARG C 711 -0.184 0.511 3.604 49ARG O 712 -0.195 0.518 3.481 50LEU N 713 -0.158 0.400 3.670 50LEU H 714 -0.140 0.406 3.768 50LEU CA 715 -0.155 0.266 3.608 50LEU HA 716 -0.136 0.278 3.503 50LEU CB 717 -0.043 0.185 3.677 50LEU HB1 718 -0.028 0.093 3.622 50LEU HB2 719 -0.074 0.161 3.777 50LEU CG 720 0.092 0.262 3.682 50LEU HG 721 0.068 0.354 3.731 50LEU CD1 722 0.203 0.191 3.762 50LEU HD11 723 0.223 0.095 3.716 50LEU HD12 724 0.291 0.251 3.760 50LEU HD13 725 0.170 0.176 3.863 50LEU CD2 726 0.147 0.281 3.542 50LEU HD21 727 0.076 0.336 3.484 50LEU HD22 728 0.240 0.334 3.548 50LEU HD23 729 0.163 0.184 3.498 50LEU C 730 -0.289 0.192 3.624 50LEU O 731 -0.367 0.214 3.723 51GLY N 732 -0.308 0.092 3.540 51GLY H 733 -0.242 0.075 3.467 51GLY CA 734 -0.426 0.005 3.553 51GLY HA1 735 -0.430 -0.033 3.654 51GLY HA2 736 -0.416 -0.078 3.486 51GLY C 737 -0.559 0.077 3.523 51GLY O 738 -0.666 0.032 3.573 52GLH N 739 -0.555 0.189 3.447 52GLH H 740 -0.469 0.218 3.406 52GLH CA 741 -0.678 0.269 3.424 52GLH HA 742 -0.733 0.261 3.516 52GLH CB 743 -0.649 0.421 3.397 52GLH HB1 744 -0.741 0.467 3.366 52GLH HB2 745 -0.579 0.427 3.316 52GLH CG 746 -0.592 0.502 3.516 52GLH HG1 747 -0.551 0.595 3.481 52GLH HG2 748 -0.515 0.446 3.565 52GLH CD 749 -0.706 0.530 3.614 52GLH OE1 750 -0.818 0.477 3.592 52GLH OE2 751 -0.702 0.635 3.684 52GLH HE2 752 -0.880 0.503 3.661 52GLH C 753 -0.759 0.215 3.307 52GLH O 754 -0.696 0.176 3.205 53ASP N 755 -0.892 0.222 3.316 53ASP H 756 -0.933 0.234 3.407 53ASP CA 757 -0.978 0.214 3.200 53ASP HA 758 -0.919 0.208 3.111 53ASP CB 759 -1.061 0.087 3.199 53ASP HB1 760 -1.134 0.089 3.277 53ASP HB2 761 -0.998 0.001 3.212 53ASP CG 762 -1.130 0.080 3.064 53ASP OD1 763 -1.070 0.109 2.957 53ASP OD2 764 -1.253 0.059 3.060 53ASP C 765 -1.063 0.342 3.195 53ASP O 766 -1.018 0.441 3.133 54ASN N 767 -1.160 0.352 3.284 54ASN H 768 -1.184 0.274 3.342 54ASN CA 769 -1.232 0.478 3.299 54ASN HA 770 -1.245 0.523 3.203 54ASN CB 771 -1.369 0.451 3.360 54ASN HB1 772 -1.357 0.420 3.462 54ASN HB2 773 -1.418 0.372 3.305 54ASN CG 774 -1.455 0.578 3.355 54ASN OD1 775 -1.408 0.691 3.384 54ASN ND2 776 -1.576 0.563 3.300 54ASN HD21 777 -1.638 0.641 3.293 54ASN HD22 778 -1.604 0.474 3.266 54ASN C 779 -1.153 0.572 3.389 54ASN O 780 -1.127 0.537 3.509 55ILE N 781 -1.100 0.677 3.332 55ILE H 782 -1.118 0.697 3.236 55ILE CA 783 -1.015 0.768 3.414 55ILE HA 784 -0.953 0.701 3.471 55ILE CB 785 -0.922 0.860 3.326 55ILE HB 786 -0.874 0.932 3.388 55ILE CG2 787 -0.813 0.773 3.260 55ILE HG21 788 -0.860 0.698 3.199 55ILE HG22 789 -0.750 0.835 3.200 55ILE HG23 790 -0.756 0.726 3.337 55ILE CG1 791 -1.004 0.942 3.223 55ILE HG11 792 -1.080 0.998 3.274 55ILE HG12 793 -1.051 0.876 3.153 55ILE CD 794 -0.910 1.040 3.146 55ILE HD1 795 -0.835 0.983 3.095 55ILE HD2 796 -0.968 1.096 3.076 55ILE HD3 797 -0.864 1.106 3.217 55ILE C 798 -1.094 0.855 3.512 55ILE O 799 -1.031 0.925 3.596 56ASN N 800 -1.225 0.845 3.509 56ASN H 801 -1.269 0.783 3.444 56ASN CA 802 -1.309 0.923 3.600 56ASN HA 803 -1.241 0.993 3.646 56ASN CB 804 -1.418 1.004 3.526 56ASN HB1 805 -1.495 1.032 3.595 56ASN HB2 806 -1.460 0.945 3.448 56ASN CG 807 -1.353 1.131 3.467 56ASN OD1 808 -1.275 1.200 3.537 56ASN ND2 809 -1.407 1.178 3.354 56ASN HD21 810 -1.369 1.260 3.311 56ASN HD22 811 -1.485 1.132 3.313 56ASN C 812 -1.371 0.839 3.710 56ASN O 813 -1.445 0.897 3.793 57VAL N 814 -1.352 0.706 3.709 57VAL H 815 -1.292 0.666 3.640 57VAL CA 816 -1.418 0.616 3.807 57VAL HA 817 -1.459 0.675 3.886 57VAL CB 818 -1.533 0.535 3.736 57VAL HB 819 -1.484 0.474 3.662 57VAL CG1 820 -1.607 0.439 3.836 57VAL HG11 821 -1.651 0.498 3.915 57VAL HG12 822 -1.684 0.387 3.783 57VAL HG13 823 -1.537 0.369 3.877 57VAL CG2 824 -1.635 0.628 3.661 57VAL HG21 825 -1.583 0.684 3.586 57VAL HG22 826 -1.710 0.567 3.615 57VAL HG23 827 -1.680 0.695 3.732 57VAL C 828 -1.317 0.519 3.867 57VAL O 829 -1.232 0.466 3.792 58VAL N 830 -1.317 0.502 3.997 58VAL H 831 -1.379 0.554 4.056 58VAL CA 832 -1.223 0.405 4.053 58VAL HA 833 -1.130 0.410 4.000 58VAL CB 834 -1.191 0.437 4.202 58VAL HB 835 -1.281 0.447 4.259 58VAL CG1 836 -1.112 0.321 4.265 58VAL HG11 837 -1.020 0.307 4.210 58VAL HG12 838 -1.090 0.345 4.367 58VAL HG13 839 -1.171 0.231 4.260 58VAL CG2 840 -1.113 0.569 4.206 58VAL HG21 841 -1.174 0.647 4.164 58VAL HG22 842 -1.090 0.592 4.308 58VAL HG23 843 -1.023 0.559 4.149 58VAL C 844 -1.284 0.264 4.037 58VAL O 845 -1.401 0.245 4.080 59GLU N 846 -1.219 0.182 3.953 59GLU H 847 -1.129 0.205 3.917 59GLU CA 848 -1.283 0.058 3.917 59GLU HA 849 -1.384 0.060 3.954 59GLU CB 850 -1.281 0.042 3.766 59GLU HB1 851 -1.329 -0.050 3.740 59GLU HB2 852 -1.179 0.039 3.733 59GLU CG 853 -1.353 0.158 3.693 59GLU HG1 854 -1.301 0.250 3.710 59GLU HG2 855 -1.454 0.167 3.730 59GLU CD 856 -1.354 0.123 3.545 59GLU OE1 857 -1.257 0.152 3.470 59GLU OE2 858 -1.459 0.075 3.494 59GLU C 859 -1.209 -0.060 3.975 59GLU O 860 -1.270 -0.169 3.974 60GLY N 861 -1.099 -0.038 4.041 60GLY H 862 -1.054 0.051 4.036 60GLY CA 863 -1.040 -0.147 4.121 60GLY HA1 864 -1.106 -0.231 4.114 60GLY HA2 865 -1.036 -0.114 4.223 60GLY C 866 -0.900 -0.194 4.082 60GLY O 867 -0.841 -0.271 4.160 61ASN N 868 -0.857 -0.168 3.962 61ASN H 869 -0.915 -0.118 3.897 61ASN CA 870 -0.724 -0.212 3.923 61ASN HA 871 -0.694 -0.283 3.998 61ASN CB 872 -0.730 -0.276 3.786 61ASN HB1 873 -0.632 -0.299 3.752 61ASN HB2 874 -0.777 -0.209 3.716 61ASN CG 875 -0.813 -0.404 3.801 61ASN OD1 876 -0.768 -0.491 3.879 61ASN ND2 877 -0.940 -0.395 3.770 61ASN HD21 878 -0.999 -0.475 3.778 61ASN HD22 879 -0.978 -0.307 3.740 61ASN C 880 -0.618 -0.101 3.921 61ASN O 881 -0.507 -0.123 3.872 62GLU N 882 -0.654 0.019 3.961 62GLU H 883 -0.746 0.035 3.996 62GLU CA 884 -0.556 0.131 3.955 62GLU HA 885 -0.515 0.124 3.856 62GLU CB 886 -0.625 0.267 3.978 62GLU HB1 887 -0.553 0.345 3.968 62GLU HB2 888 -0.665 0.269 4.077 62GLU CG 889 -0.739 0.289 3.877 62GLU HG1 890 -0.720 0.230 3.789 62GLU HG2 891 -0.740 0.393 3.848 62GLU CD 892 -0.874 0.251 3.936 62GLU OE1 893 -0.892 0.167 4.031 62GLU OE2 894 -0.974 0.294 3.874 62GLU C 895 -0.436 0.119 4.053 62GLU O 896 -0.457 0.074 4.169 63GLN N 897 -0.324 0.181 4.015 63GLN H 898 -0.315 0.204 3.918 63GLN CA 899 -0.212 0.217 4.104 63GLN HA 900 -0.246 0.205 4.205 63GLN CB 901 -0.090 0.129 4.079 63GLN HB1 902 -0.011 0.158 4.145 63GLN HB2 903 -0.057 0.142 3.978 63GLN CG 904 -0.123 -0.018 4.103 63GLN HG1 905 -0.207 -0.046 4.042 63GLN HG2 906 -0.149 -0.033 4.206 63GLN CD 907 -0.003 -0.105 4.068 63GLN OE1 908 0.108 -0.074 4.117 63GLN NE2 909 -0.032 -0.219 4.009 63GLN HE21 910 0.041 -0.281 3.983 63GLN HE22 911 -0.127 -0.243 3.991 63GLN C 912 -0.169 0.360 4.074 63GLN O 913 -0.146 0.390 3.953 64PHE N 914 -0.180 0.450 4.172 64PHE H 915 -0.211 0.421 4.263 64PHE CA 916 -0.147 0.594 4.147 64PHE HA 917 -0.144 0.610 4.041 64PHE CB 918 -0.249 0.685 4.214 64PHE HB1 919 -0.219 0.787 4.199 64PHE HB2 920 -0.249 0.664 4.319 64PHE CG 921 -0.392 0.668 4.160 64PHE CD1 922 -0.500 0.715 4.233 64PHE HD1 923 -0.483 0.763 4.327 64PHE CE1 924 -0.631 0.701 4.184 64PHE HE1 925 -0.714 0.739 4.240 64PHE CZ 926 -0.653 0.637 4.062 64PHE HZ 927 -0.753 0.624 4.025 64PHE CE2 928 -0.544 0.589 3.990 64PHE HE2 929 -0.560 0.540 3.896 64PHE CD2 930 -0.415 0.605 4.038 64PHE HD2 931 -0.332 0.570 3.980 64PHE C 932 -0.016 0.624 4.216 64PHE O 933 -0.013 0.596 4.338 65ILE N 934 0.091 0.649 4.146 65ILE H 935 0.081 0.660 4.047 65ILE CA 936 0.224 0.660 4.205 65ILE HA 937 0.217 0.656 4.312 65ILE CB 938 0.315 0.542 4.155 65ILE HB 939 0.326 0.551 4.048 65ILE CG2 940 0.457 0.554 4.216 65ILE HG21 941 0.449 0.549 4.323 65ILE HG22 942 0.517 0.472 4.181 65ILE HG23 943 0.500 0.647 4.187 65ILE CG1 944 0.250 0.403 4.181 65ILE HG11 945 0.149 0.407 4.144 65ILE HG12 946 0.247 0.388 4.287 65ILE CD 947 0.317 0.279 4.119 65ILE HD1 948 0.417 0.271 4.156 65ILE HD2 949 0.261 0.191 4.146 65ILE HD3 950 0.319 0.290 4.012 65ILE C 951 0.283 0.793 4.157 65ILE O 952 0.274 0.823 4.035 66SER N 953 0.334 0.874 4.249 66SER H 954 0.332 0.850 4.346 66SER CA 955 0.393 1.000 4.204 66SER HA 956 0.328 1.038 4.127 66SER CB 957 0.399 1.102 4.324 66SER HB1 958 0.438 1.196 4.290 66SER HB2 959 0.463 1.063 4.400 66SER OG 960 0.267 1.122 4.378 66SER HG 961 0.233 1.037 4.409 66SER C 962 0.529 0.985 4.137 66SER O 963 0.605 0.888 4.165 67ALA N 964 0.563 1.077 4.052 67ALA H 965 0.498 1.149 4.028 67ALA CA 966 0.697 1.076 3.992 67ALA HA 967 0.721 0.973 3.973 67ALA CB 968 0.698 1.157 3.860 67ALA HB1 969 0.669 1.258 3.881 67ALA HB2 970 0.796 1.155 3.818 67ALA HB3 971 0.628 1.112 3.792 67ALA C 972 0.806 1.130 4.087 67ALA O 973 0.776 1.228 4.159 68SER N 974 0.921 1.063 4.099 68SER H 975 0.926 0.975 4.051 68SER CA 976 1.043 1.103 4.174 68SER HA 977 1.017 1.147 4.268 68SER CB 978 1.133 0.972 4.194 68SER HB1 979 1.145 0.922 4.100 68SER HB2 980 1.085 0.906 4.263 68SER OG 981 1.261 1.011 4.245 68SER HG 982 1.249 1.055 4.329 68SER C 983 1.123 1.204 4.089 68SER O 984 1.188 1.300 4.139 69LYP N 985 1.134 1.173 3.961 69LYP H 986 1.077 1.099 3.925 69LYP CA 987 1.227 1.241 3.869 69LYP HA 988 1.240 1.345 3.893 69LYP CB 989 1.362 1.164 3.878 69LYP HB1 990 1.340 1.060 3.875 69LYP HB2 991 1.405 1.188 3.974 69LYP CG 992 1.469 1.192 3.773 69LYP HG1 993 1.483 1.298 3.764 69LYP HG2 994 1.436 1.153 3.679 69LYP CD 995 1.604 1.128 3.809 69LYP HD1 996 1.641 1.173 3.899 69LYP HD2 997 1.674 1.144 3.730 69LYP CE 998 1.590 0.976 3.832 69LYP HE1 999 1.643 0.923 3.756 69LYP HE2 1000 1.486 0.949 3.828 69LYP NZ 1001 1.644 0.941 3.965 69LYP HZ1 1002 1.593 0.990 4.035 69LYP HZ2 1003 1.634 0.842 3.978 69LYP HZ3 1004 1.740 0.966 3.968 69LYP C 1005 1.168 1.230 3.726 69LYP O 1006 1.102 1.128 3.688 70SER N 1007 1.189 1.340 3.654 70SER H 1008 1.227 1.420 3.700 70SER CA 1009 1.158 1.350 3.511 70SER HA 1010 1.121 1.255 3.476 70SER CB 1011 1.041 1.449 3.480 70SER HB1 1012 1.069 1.548 3.510 70SER HB2 1013 0.953 1.419 3.534 70SER OG 1014 1.016 1.445 3.339 70SER HG 1015 0.992 1.356 3.314 70SER C 1016 1.287 1.384 3.438 70SER O 1017 1.367 1.472 3.483 71ILE N 1018 1.314 1.309 3.332 71ILE H 1019 1.258 1.230 3.310 71ILE CA 1020 1.429 1.344 3.247 71ILE HA 1021 1.467 1.436 3.285 71ILE CB 1022 1.536 1.235 3.254 71ILE HB 1023 1.497 1.145 3.212 71ILE CG2 1024 1.661 1.266 3.167 71ILE HG21 1025 1.705 1.358 3.200 71ILE HG22 1026 1.731 1.186 3.177 71ILE HG23 1027 1.630 1.276 3.065 71ILE CG1 1028 1.570 1.209 3.402 71ILE HG11 1029 1.482 1.223 3.461 71ILE HG12 1030 1.645 1.279 3.433 71ILE CD 1031 1.623 1.066 3.424 71ILE HD1 1032 1.712 1.052 3.366 71ILE HD2 1033 1.645 1.053 3.529 71ILE HD3 1034 1.548 0.996 3.394 71ILE C 1035 1.390 1.367 3.100 71ILE O 1036 1.356 1.272 3.026 72VAL N 1037 1.398 1.491 3.056 72VAL H 1038 1.422 1.565 3.119 72VAL CA 1039 1.371 1.521 2.915 72VAL HA 1040 1.294 1.456 2.880 72VAL CB 1041 1.321 1.666 2.899 72VAL HB 1042 1.388 1.734 2.948 72VAL CG1 1043 1.332 1.719 2.751 72VAL HG11 1044 1.272 1.657 2.688 72VAL HG12 1045 1.295 1.820 2.748 72VAL HG13 1046 1.434 1.716 2.720 72VAL CG2 1047 1.186 1.684 2.973 72VAL HG21 1048 1.200 1.663 3.077 72VAL HG22 1049 1.152 1.785 2.961 72VAL HG23 1050 1.114 1.616 2.931 72VAL C 1051 1.497 1.497 2.834 72VAL O 1052 1.608 1.521 2.889 73HIE N 1053 1.482 1.434 2.716 73HIE H 1054 1.391 1.403 2.689 73HIE CA 1055 1.597 1.410 2.624 73HIE HA 1056 1.651 1.328 2.667 73HIE CB 1057 1.544 1.380 2.482 73HIE HB1 1058 1.516 1.471 2.433 73HIE HB2 1059 1.459 1.314 2.487 73HIE CG 1060 1.657 1.312 2.404 73HIE ND1 1061 1.750 1.390 2.337 73HIE CE1 1062 1.847 1.303 2.284 73HIE HE1 1063 1.933 1.331 2.226 73HIE NE2 1064 1.810 1.170 2.322 73HIE HE2 1065 1.859 1.086 2.300 73HIE CD2 1066 1.690 1.179 2.396 73HIE HD2 1067 1.636 1.098 2.439 73HIE C 1068 1.691 1.531 2.611 73HIE O 1069 1.637 1.644 2.599 74PRO N 1070 1.821 1.510 2.631 74PRO CD 1071 1.890 1.379 2.645 74PRO HD1 1072 1.868 1.335 2.740 74PRO HD2 1073 1.859 1.312 2.567 74PRO CG 1074 2.040 1.407 2.633 74PRO HG1 1075 2.092 1.362 2.715 74PRO HG2 1076 2.078 1.365 2.541 74PRO CB 1077 2.061 1.558 2.634 74PRO HB1 1078 2.112 1.588 2.723 74PRO HB2 1079 2.119 1.588 2.549 74PRO CA 1080 1.921 1.619 2.629 74PRO HA 1081 1.905 1.681 2.714 74PRO C 1082 1.904 1.709 2.505 74PRO O 1083 1.941 1.829 2.511 75SER N 1084 1.852 1.651 2.395 75SER H 1085 1.819 1.556 2.400 75SER CA 1086 1.843 1.725 2.269 75SER HA 1087 1.892 1.818 2.293 75SER CB 1088 1.918 1.655 2.153 75SER HB1 1089 1.907 1.710 2.062 75SER HB2 1090 1.879 1.556 2.138 75SER OG 1091 2.054 1.648 2.191 75SER HG 1092 2.062 1.598 2.273 75SER C 1093 1.704 1.761 2.224 75SER O 1094 1.687 1.791 2.104 76TYR N 1095 1.614 1.764 2.316 76TYR H 1096 1.637 1.748 2.412 76TYR CA 1097 1.480 1.790 2.276 76TYR HA 1098 1.452 1.724 2.196 76TYR CB 1099 1.383 1.764 2.395 76TYR HB1 1100 1.425 1.808 2.483 76TYR HB2 1101 1.374 1.659 2.410 76TYR CG 1102 1.241 1.825 2.371 76TYR CD1 1103 1.194 1.924 2.455 76TYR HD1 1104 1.256 1.962 2.534 76TYR CE1 1105 1.063 1.975 2.437 76TYR HE1 1106 1.026 2.053 2.501 76TYR CZ 1107 0.982 1.924 2.336 76TYR OH 1108 0.851 1.973 2.316 76TYR HH 1109 0.811 1.926 2.243 76TYR CE2 1110 1.033 1.826 2.250 76TYR HE2 1111 0.972 1.788 2.170 76TYR CD2 1112 1.160 1.777 2.269 76TYR HD2 1113 1.197 1.701 2.203 76TYR C 1114 1.468 1.937 2.227 76TYR O 1115 1.517 2.029 2.298 77ASN N 1116 1.407 1.955 2.109 77ASN H 1117 1.380 1.874 2.057 77ASN CA 1118 1.376 2.088 2.052 77ASN HA 1119 1.417 2.160 2.120 77ASN CB 1120 1.440 2.103 1.912 77ASN HB1 1121 1.393 2.035 1.844 77ASN HB2 1122 1.545 2.079 1.918 77ASN CG 1123 1.424 2.247 1.862 77ASN OD1 1124 1.312 2.300 1.860 77ASN ND2 1125 1.509 2.281 1.770 77ASN HD21 1126 1.507 2.373 1.730 77ASN HD22 1127 1.578 2.215 1.738 77ASN C 1128 1.227 2.115 2.040 77ASN O 1129 1.157 2.049 1.959 78SER N 1130 1.180 2.201 2.130 78SER H 1131 1.242 2.252 2.190 78SER CA 1132 1.036 2.219 2.139 78SER HA 1133 0.990 2.123 2.148 78SER CB 1134 1.003 2.306 2.266 78SER HB1 1135 1.043 2.258 2.352 78SER HB2 1136 0.896 2.312 2.276 78SER OG 1137 1.058 2.439 2.255 78SER HG 1138 1.020 2.483 2.178 78SER C 1139 0.982 2.289 2.014 78SER O 1140 0.860 2.289 1.989 79ASN N 1141 1.064 2.351 1.934 79ASN H 1142 1.163 2.355 1.952 79ASN CA 1143 1.004 2.414 1.815 79ASN HA 1144 0.910 2.457 1.845 79ASN CB 1145 1.099 2.521 1.759 79ASN HB1 1146 1.063 2.556 1.664 79ASN HB2 1147 1.197 2.480 1.747 79ASN CG 1148 1.105 2.639 1.858 79ASN OD1 1149 1.213 2.704 1.867 79ASN ND2 1150 0.991 2.679 1.912 79ASN HD21 1151 0.990 2.755 1.977 79ASN HD22 1152 0.906 2.633 1.887 79ASN C 1153 0.985 2.312 1.705 79ASN O 1154 0.880 2.320 1.636 80THR N 1155 1.080 2.222 1.689 80THR H 1156 1.159 2.221 1.750 80THR CA 1157 1.070 2.124 1.582 80THR HA 1158 1.005 2.166 1.508 80THR CB 1159 1.212 2.099 1.523 80THR HB 1160 1.198 2.032 1.441 80THR CG2 1161 1.279 2.230 1.466 80THR HG21 1162 1.289 2.302 1.545 80THR HG22 1163 1.376 2.205 1.428 80THR HG23 1164 1.217 2.270 1.388 80THR OG1 1165 1.298 2.040 1.621 80THR HG1 1166 1.384 2.026 1.582 80THR C 1167 1.005 1.991 1.624 80THR O 1168 0.968 1.906 1.538 81LEU N 1169 1.000 1.975 1.756 81LEU H 1170 1.025 2.053 1.814 81LEU CA 1171 0.961 1.849 1.821 81LEU HA 1172 0.962 1.872 1.926 81LEU CB 1173 0.818 1.802 1.781 81LEU HB1 1174 0.803 1.702 1.818 81LEU HB2 1175 0.810 1.801 1.675 81LEU CG 1176 0.708 1.896 1.841 81LEU HG 1177 0.730 1.992 1.798 81LEU CD1 1178 0.565 1.854 1.800 81LEU HD11 1179 0.546 1.755 1.836 81LEU HD12 1180 0.495 1.922 1.844 81LEU HD13 1181 0.557 1.857 1.693 81LEU CD2 1182 0.714 1.909 1.995 81LEU HD21 1183 0.809 1.949 2.023 81LEU HD22 1184 0.636 1.975 2.027 81LEU HD23 1185 0.700 1.812 2.038 81LEU C 1186 1.061 1.736 1.793 81LEU O 1187 1.025 1.617 1.811 82ASN N 1188 1.179 1.771 1.748 82ASN H 1189 1.197 1.867 1.725 82ASN CA 1190 1.281 1.670 1.730 82ASN HA 1191 1.240 1.590 1.671 82ASN CB 1192 1.403 1.727 1.652 82ASN HB1 1193 1.458 1.793 1.716 82ASN HB2 1194 1.367 1.783 1.567 82ASN CG 1195 1.495 1.614 1.604 82ASN OD1 1196 1.453 1.498 1.585 82ASN ND2 1197 1.621 1.647 1.602 82ASN HD21 1198 1.689 1.581 1.572 82ASN HD22 1199 1.649 1.739 1.630 82ASN C 1200 1.324 1.612 1.866 82ASN O 1201 1.336 1.691 1.962 83ASN N 1202 1.342 1.477 1.876 83ASN H 1203 1.331 1.420 1.794 83ASN CA 1204 1.378 1.412 2.006 83ASN HA 1205 1.395 1.309 1.978 83ASN CB 1206 1.510 1.467 2.073 83ASN HB1 1207 1.531 1.411 2.161 83ASN HB2 1208 1.495 1.570 2.100 83ASN CG 1209 1.627 1.457 1.975 83ASN OD1 1210 1.679 1.565 1.935 83ASN ND2 1211 1.653 1.339 1.921 83ASN HD21 1212 1.729 1.329 1.857 83ASN HD22 1213 1.596 1.260 1.945 83ASN C 1214 1.265 1.423 2.110 83ASN O 1215 1.298 1.456 2.227 84ASP N 1216 1.141 1.409 2.068 84ASP H 1217 1.125 1.385 1.972 84ASP CA 1218 1.025 1.427 2.159 84ASP HA 1219 1.048 1.508 2.226 84ASP CB 1220 0.898 1.466 2.076 84ASP HB1 1221 0.867 1.381 2.018 84ASP HB2 1222 0.924 1.546 2.009 84ASP CG 1223 0.783 1.511 2.165 84ASP OD1 1224 0.802 1.536 2.288 84ASP OD2 1225 0.667 1.512 2.116 84ASP C 1226 0.998 1.304 2.253 84ASP O 1227 0.909 1.217 2.229 85ILE N 1228 1.085 1.295 2.352 85ILE H 1229 1.153 1.367 2.366 85ILE CA 1230 1.081 1.183 2.441 85ILE HA 1231 0.980 1.150 2.454 85ILE CB 1232 1.166 1.066 2.378 85ILE HB 1233 1.132 1.052 2.277 85ILE CG2 1234 1.317 1.099 2.361 85ILE HG21 1235 1.359 1.121 2.457 85ILE HG22 1236 1.366 1.015 2.318 85ILE HG23 1237 1.327 1.184 2.296 85ILE CG1 1238 1.141 0.934 2.459 85ILE HG11 1239 1.036 0.914 2.461 85ILE HG12 1240 1.177 0.947 2.559 85ILE CD 1241 1.215 0.814 2.395 85ILE HD1 1242 1.320 0.834 2.393 85ILE HD2 1243 1.196 0.726 2.452 85ILE HD3 1244 1.179 0.800 2.294 85ILE C 1245 1.135 1.223 2.579 85ILE O 1246 1.231 1.306 2.587 86MET N 1247 1.072 1.167 2.680 86MET H 1248 0.990 1.112 2.661 86MET CA 1249 1.117 1.182 2.817 86MET HA 1250 1.223 1.199 2.809 86MET CB 1251 1.061 1.308 2.890 86MET HB1 1252 1.078 1.393 2.827 86MET HB2 1253 1.115 1.320 2.981 86MET CG 1254 0.912 1.305 2.925 86MET HG1 1255 0.890 1.209 2.968 86MET HG2 1256 0.856 1.316 2.834 86MET SD 1257 0.859 1.436 3.043 86MET CE 1258 0.684 1.394 3.041 86MET HE1 1259 0.672 1.293 3.075 86MET HE2 1260 0.631 1.462 3.105 86MET HE3 1261 0.647 1.404 2.940 86MET C 1262 1.094 1.055 2.899 86MET O 1263 0.995 0.982 2.874 87LEU N 1264 1.174 1.044 3.003 87LEU H 1265 1.244 1.115 3.014 87LEU CA 1266 1.170 0.938 3.105 87LEU HA 1267 1.103 0.861 3.072 87LEU CB 1268 1.311 0.883 3.124 87LEU HB1 1269 1.318 0.840 3.223 87LEU HB2 1270 1.380 0.964 3.116 87LEU CG 1271 1.353 0.772 3.020 87LEU HG 1272 1.321 0.684 3.072 87LEU CD1 1273 1.269 0.761 2.893 87LEU HD11 1274 1.273 0.854 2.839 87LEU HD12 1275 1.308 0.682 2.832 87LEU HD13 1276 1.167 0.739 2.919 87LEU CD2 1277 1.505 0.748 3.004 87LEU HD21 1278 1.546 0.718 3.098 87LEU HD22 1279 1.521 0.672 2.931 87LEU HD23 1280 1.552 0.840 2.972 87LEU C 1281 1.116 0.991 3.240 87LEU O 1282 1.160 1.097 3.288 88ILE N 1283 1.024 0.917 3.299 88ILE H 1284 0.988 0.837 3.250 88ILE CA 1285 0.974 0.948 3.431 88ILE HA 1286 1.021 1.037 3.468 88ILE CB 1287 0.825 0.966 3.423 88ILE HB 1288 0.782 0.877 3.382 88ILE CG2 1289 0.758 0.984 3.561 88ILE HG21 1290 0.799 1.071 3.609 88ILE HG22 1291 0.652 0.997 3.548 88ILE HG23 1292 0.777 0.897 3.621 88ILE CG1 1293 0.793 1.085 3.327 88ILE HG11 1294 0.857 1.079 3.241 88ILE HG12 1295 0.812 1.177 3.378 88ILE CD 1296 0.645 1.084 3.280 88ILE HD1 1297 0.581 1.092 3.365 88ILE HD2 1298 0.629 1.168 3.215 88ILE HD3 1299 0.626 0.993 3.228 88ILE C 1300 1.003 0.831 3.524 88ILE O 1301 0.962 0.717 3.493 89LYP N 1302 1.068 0.859 3.634 89LYP H 1303 1.102 0.952 3.649 89LYP CA 1304 1.091 0.753 3.735 89LYP HA 1305 1.083 0.658 3.687 89LYP CB 1306 1.233 0.768 3.796 89LYP HB1 1307 1.240 0.861 3.849 89LYP HB2 1308 1.306 0.766 3.718 89LYP CG 1309 1.258 0.650 3.895 89LYP HG1 1310 1.253 0.557 3.841 89LYP HG2 1311 1.181 0.650 3.971 89LYP CD 1312 1.394 0.660 3.963 89LYP HD1 1313 1.392 0.739 4.035 89LYP HD2 1314 1.468 0.683 3.889 89LYP CE 1315 1.433 0.529 4.034 89LYP HE1 1316 1.430 0.448 3.963 89LYP HE2 1317 1.363 0.509 4.113 89LYP NZ 1318 1.569 0.542 4.089 89LYP HZ1 1319 1.571 0.617 4.155 89LYP HZ2 1320 1.594 0.456 4.135 89LYP HZ3 1321 1.633 0.560 4.014 89LYP C 1322 0.986 0.762 3.847 89LYP O 1323 0.960 0.874 3.899 90LEU N 1324 0.925 0.649 3.885 90LEU H 1325 0.953 0.564 3.841 90LEU CA 1326 0.818 0.641 3.987 90LEU HA 1327 0.756 0.727 3.970 90LEU CB 1328 0.738 0.507 3.974 90LEU HB1 1329 0.657 0.509 4.045 90LEU HB2 1330 0.804 0.426 4.000 90LEU CG 1331 0.680 0.479 3.834 90LEU HG 1332 0.766 0.472 3.770 90LEU CD1 1333 0.604 0.348 3.825 90LEU HD11 1334 0.522 0.350 3.895 90LEU HD12 1335 0.566 0.336 3.726 90LEU HD13 1336 0.670 0.267 3.849 90LEU CD2 1337 0.593 0.595 3.780 90LEU HD21 1338 0.653 0.683 3.774 90LEU HD22 1339 0.557 0.568 3.683 90LEU HD23 1340 0.511 0.611 3.847 90LEU C 1341 0.877 0.639 4.127 90LEU O 1342 0.990 0.587 4.145 91LYP N 1343 0.812 0.705 4.220 91LYP H 1344 0.727 0.752 4.196 91LYP CA 1345 0.862 0.711 4.359 91LYP HA 1346 0.958 0.758 4.356 91LYP CB 1347 0.756 0.782 4.444 91LYP HB1 1348 0.752 0.736 4.541 91LYP HB2 1349 0.661 0.772 4.396 91LYP CG 1350 0.786 0.932 4.462 91LYP HG1 1351 0.791 0.978 4.366 91LYP HG2 1352 0.881 0.943 4.511 91LYP CD 1353 0.677 1.000 4.546 91LYP HD1 1354 0.674 0.955 4.643 91LYP HD2 1355 0.582 0.987 4.498 91LYP CE 1356 0.703 1.151 4.563 91LYP HE1 1357 0.704 1.198 4.467 91LYP HE2 1358 0.799 1.166 4.610 91LYP NZ 1359 0.598 1.211 4.646 91LYP HZ1 1360 0.598 1.166 4.736 91LYP HZ2 1361 0.616 1.309 4.656 91LYP HZ3 1362 0.509 1.197 4.602 91LYP C 1363 0.873 0.571 4.424 91LYP O 1364 0.968 0.542 4.502 92SER N 1365 0.785 0.480 4.384 92SER H 1366 0.711 0.508 4.322 92SER CA 1367 0.791 0.340 4.428 92SER HA 1368 0.885 0.315 4.473 92SER CB 1369 0.674 0.320 4.527 92SER HB1 1370 0.672 0.217 4.558 92SER HB2 1371 0.582 0.344 4.480 92SER OG 1372 0.693 0.404 4.642 92SER HG 1373 0.695 0.495 4.613 92SER C 1374 0.768 0.254 4.305 92SER O 1375 0.703 0.304 4.208 93ALA N 1376 0.818 0.129 4.308 93ALA H 1377 0.874 0.100 4.386 93ALA CA 1378 0.790 0.035 4.199 93ALA HA 1379 0.810 0.084 4.105 93ALA CB 1380 0.884 -0.086 4.211 93ALA HB1 1381 0.867 -0.134 4.305 93ALA HB2 1382 0.864 -0.154 4.131 93ALA HB3 1383 0.986 -0.052 4.205 93ALA C 1384 0.642 -0.007 4.193 93ALA O 1385 0.578 -0.036 4.300 94ALA N 1386 0.586 -0.004 4.070 94ALA H 1387 0.638 0.038 3.996 94ALA CA 1388 0.452 -0.057 4.039 94ALA HA 1389 0.381 -0.003 4.098 94ALA CB 1390 0.417 -0.038 3.889 94ALA HB1 1391 0.489 -0.089 3.829 94ALA HB2 1392 0.319 -0.078 3.870 94ALA HB3 1393 0.418 0.067 3.866 94ALA C 1394 0.446 -0.208 4.072 94ALA O 1395 0.552 -0.276 4.065 95SER N 1396 0.331 -0.260 4.105 95SER H 1397 0.254 -0.199 4.121 95SER CA 1398 0.312 -0.405 4.121 95SER HA 1399 0.407 -0.451 4.141 95SER CB 1400 0.220 -0.435 4.242 95SER HB1 1401 0.265 -0.398 4.332 95SER HB2 1402 0.207 -0.541 4.252 95SER OG 1403 0.092 -0.373 4.222 95SER HG 1404 0.053 -0.408 4.141 95SER C 1405 0.256 -0.465 3.991 95SER O 1406 0.149 -0.421 3.942 96LEU N 1407 0.338 -0.544 3.929 96LEU H 1408 0.422 -0.575 3.975 96LEU CA 1409 0.309 -0.590 3.796 96LEU HA 1410 0.245 -0.516 3.750 96LEU CB 1411 0.437 -0.601 3.712 96LEU HB1 1412 0.412 -0.638 3.614 96LEU HB2 1413 0.504 -0.670 3.759 96LEU CG 1414 0.507 -0.465 3.697 96LEU HG 1415 0.524 -0.430 3.797 96LEU CD1 1416 0.640 -0.478 3.624 96LEU HD11 1417 0.621 -0.518 3.526 96LEU HD12 1418 0.684 -0.381 3.616 96LEU HD13 1419 0.704 -0.544 3.678 96LEU CD2 1420 0.420 -0.367 3.619 96LEU HD21 1421 0.327 -0.353 3.671 96LEU HD22 1422 0.472 -0.273 3.611 96LEU HD23 1423 0.401 -0.407 3.522 96LEU C 1424 0.233 -0.721 3.797 96LEU O 1425 0.275 -0.812 3.874 97ASN N 1426 0.122 -0.723 3.725 97ASN H 1427 0.089 -0.636 3.688 97ASN CA 1428 0.041 -0.846 3.694 97ASN HA 1429 0.113 -0.924 3.705 97ASN CB 1430 -0.073 -0.872 3.793 97ASN HB1 1431 -0.030 -0.890 3.889 97ASN HB2 1432 -0.126 -0.959 3.761 97ASN CG 1433 -0.171 -0.757 3.803 97ASN OD1 1434 -0.162 -0.660 3.723 97ASN ND2 1435 -0.209 -0.745 3.929 97ASN HD21 1436 -0.274 -0.674 3.955 97ASN HD22 1437 -0.173 -0.808 3.998 97ASN C 1438 -0.009 -0.856 3.549 97ASN O 1439 0.074 -0.828 3.459 98SER N 1440 -0.124 -0.921 3.525 98SER H 1441 -0.173 -0.961 3.602 98SER CA 1442 -0.179 -0.936 3.389 98SER HA 1443 -0.098 -0.966 3.326 98SER CB 1444 -0.294 -1.044 3.382 98SER HB1 1445 -0.257 -1.138 3.418 98SER HB2 1446 -0.326 -1.055 3.280 98SER OG 1447 -0.405 -1.001 3.463 98SER HG 1448 -0.437 -0.917 3.430 98SER C 1449 -0.241 -0.802 3.344 98SER O 1450 -0.248 -0.769 3.222 99ARG N 1451 -0.294 -0.730 3.437 99ARG H 1452 -0.289 -0.760 3.533 99ARG CA 1453 -0.360 -0.605 3.400 99ARG HA 1454 -0.385 -0.611 3.296 99ARG CB 1455 -0.492 -0.589 3.477 99ARG HB1 1456 -0.569 -0.642 3.425 99ARG HB2 1457 -0.518 -0.484 3.479 99ARG CG 1458 -0.488 -0.640 3.623 99ARG HG1 1459 -0.408 -0.712 3.630 99ARG HG2 1460 -0.581 -0.689 3.644 99ARG CD 1461 -0.465 -0.532 3.732 99ARG HD1 1462 -0.550 -0.468 3.738 99ARG HD2 1463 -0.379 -0.473 3.708 99ARG NE 1464 -0.444 -0.602 3.860 99ARG HE 1465 -0.391 -0.686 3.852 99ARG CZ 1466 -0.484 -0.575 3.984 99ARG NH1 1467 -0.448 -0.654 4.083 99ARG HH11 1468 -0.477 -0.634 4.176 99ARG HH12 1469 -0.390 -0.734 4.064 99ARG NH2 1470 -0.549 -0.466 4.017 99ARG HH21 1471 -0.576 -0.450 4.112 99ARG HH22 1472 -0.571 -0.398 3.947 99ARG C 1473 -0.267 -0.483 3.410 99ARG O 1474 -0.301 -0.373 3.356 100VAL N 1475 -0.151 -0.500 3.472 100VAL H 1476 -0.133 -0.587 3.518 100VAL CA 1477 -0.048 -0.395 3.475 100VAL HA 1478 -0.074 -0.327 3.397 100VAL CB 1479 -0.045 -0.312 3.606 100VAL HB 1480 -0.030 -0.383 3.684 100VAL CG1 1481 0.071 -0.210 3.604 100VAL HG11 1482 0.058 -0.144 3.520 100VAL HG12 1483 0.070 -0.154 3.695 100VAL HG13 1484 0.164 -0.264 3.594 100VAL CG2 1485 -0.179 -0.239 3.639 100VAL HG21 1486 -0.257 -0.313 3.650 100VAL HG22 1487 -0.168 -0.184 3.730 100VAL HG23 1488 -0.203 -0.172 3.559 100VAL C 1489 0.088 -0.457 3.452 100VAL O 1490 0.126 -0.553 3.523 101ALA N 1491 0.138 -0.424 3.336 101ALA H 1492 0.096 -0.348 3.287 101ALA CA 1493 0.251 -0.492 3.276 101ALA HA 1494 0.309 -0.541 3.351 101ALA CB 1495 0.194 -0.592 3.173 101ALA HB1 1496 0.137 -0.538 3.100 101ALA HB2 1497 0.275 -0.644 3.126 101ALA HB3 1498 0.130 -0.662 3.224 101ALA C 1499 0.345 -0.395 3.205 101ALA O 1500 0.296 -0.301 3.141 102SER N 1501 0.470 -0.424 3.194 102SER H 1502 0.508 -0.503 3.242 102SER CA 1503 0.557 -0.337 3.108 102SER HA 1504 0.515 -0.238 3.111 102SER CB 1505 0.699 -0.333 3.164 102SER HB1 1506 0.700 -0.287 3.261 102SER HB2 1507 0.762 -0.277 3.098 102SER OG 1508 0.744 -0.469 3.172 102SER HG 1509 0.743 -0.508 3.085 102SER C 1510 0.556 -0.380 2.963 102SER O 1511 0.530 -0.498 2.931 103ILE N 1512 0.595 -0.295 2.875 103ILE H 1513 0.615 -0.202 2.905 103ILE CA 1514 0.613 -0.330 2.734 103ILE HA 1515 0.573 -0.427 2.712 103ILE CB 1516 0.539 -0.225 2.651 103ILE HB 1517 0.436 -0.227 2.680 103ILE CG2 1518 0.588 -0.079 2.686 103ILE HG21 1519 0.693 -0.072 2.665 103ILE HG22 1520 0.534 -0.008 2.626 103ILE HG23 1521 0.570 -0.060 2.790 103ILE CG1 1522 0.531 -0.258 2.500 103ILE HG11 1523 0.629 -0.276 2.462 103ILE HG12 1524 0.489 -0.174 2.448 103ILE CD 1525 0.442 -0.383 2.476 103ILE HD1 1526 0.343 -0.364 2.513 103ILE HD2 1527 0.438 -0.404 2.371 103ILE HD3 1528 0.485 -0.467 2.528 103ILE C 1529 0.763 -0.333 2.700 103ILE O 1530 0.843 -0.248 2.750 104SER N 1531 0.798 -0.426 2.612 104SER H 1532 0.729 -0.486 2.572 104SER CA 1533 0.939 -0.441 2.573 104SER HA 1534 0.997 -0.432 2.663 104SER CB 1535 0.967 -0.584 2.512 104SER HB1 1536 1.072 -0.593 2.491 104SER HB2 1537 0.913 -0.595 2.420 104SER OG 1538 0.927 -0.686 2.604 104SER HG 1539 0.833 -0.677 2.621 104SER C 1540 0.985 -0.328 2.479 104SER O 1541 0.908 -0.288 2.389 105LEU N 1542 1.105 -0.281 2.507 105LEU H 1543 1.148 -0.307 2.593 105LEU CA 1544 1.176 -0.193 2.415 105LEU HA 1545 1.108 -0.115 2.386 105LEU CB 1546 1.299 -0.133 2.483 105LEU HB1 1547 1.360 -0.086 2.408 105LEU HB2 1548 1.355 -0.213 2.529 105LEU CG 1549 1.261 -0.030 2.590 105LEU HG 1550 1.196 -0.074 2.663 105LEU CD1 1551 1.388 0.015 2.664 105LEU HD11 1552 1.455 0.059 2.594 105LEU HD12 1553 1.360 0.087 2.739 105LEU HD13 1554 1.433 -0.070 2.710 105LEU CD2 1555 1.182 0.087 2.527 105LEU HD21 1556 1.093 0.049 2.482 105LEU HD22 1557 1.157 0.158 2.603 105LEU HD23 1558 1.244 0.134 2.453 105LEU C 1559 1.223 -0.271 2.293 105LEU O 1560 1.248 -0.393 2.307 106PRO N 1561 1.230 -0.210 2.181 106PRO CD 1562 1.202 -0.067 2.162 106PRO HD1 1563 1.103 -0.043 2.196 106PRO HD2 1564 1.273 -0.007 2.216 106PRO CG 1565 1.215 -0.043 2.011 106PRO HG1 1566 1.128 0.008 1.974 106PRO HG2 1567 1.301 0.018 1.991 106PRO CB 1568 1.230 -0.178 1.943 106PRO HB1 1569 1.139 -0.206 1.893 106PRO HB2 1570 1.309 -0.175 1.871 106PRO CA 1571 1.262 -0.277 2.055 106PRO HA 1572 1.206 -0.368 2.049 106PRO C 1573 1.411 -0.315 2.045 106PRO O 1574 1.499 -0.246 2.101 107THR N 1575 1.441 -0.413 1.963 107THR H 1576 1.366 -0.468 1.926 107THR CA 1577 1.577 -0.445 1.924 107THR HA 1578 1.643 -0.401 1.996 107THR CB 1579 1.596 -0.599 1.919 107THR HB 1580 1.685 -0.626 1.865 107THR CG2 1581 1.608 -0.651 2.064 107THR HG21 1582 1.518 -0.626 2.118 107THR HG22 1583 1.621 -0.757 2.062 107THR HG23 1584 1.692 -0.604 2.111 107THR OG1 1585 1.486 -0.659 1.849 107THR HG1 1586 1.482 -0.623 1.759 107THR C 1587 1.604 -0.392 1.785 107THR O 1588 1.722 -0.375 1.750 108SER N 1589 1.504 -0.375 1.707 108SER H 1590 1.412 -0.389 1.744 108SER CA 1591 1.515 -0.337 1.564 108SER HA 1592 1.616 -0.308 1.541 108SER CB 1593 1.475 -0.458 1.471 108SER HB1 1594 1.535 -0.543 1.495 108SER HB2 1595 1.492 -0.431 1.368 108SER OG 1596 1.337 -0.488 1.491 108SER HG 1597 1.285 -0.410 1.469 108SER C 1598 1.414 -0.227 1.542 108SER O 1599 1.310 -0.221 1.613 109CYS2 N 1600 1.434 -0.151 1.440 109CYS2 H 1601 1.518 -0.159 1.387 109CYS2 CA 1602 1.331 -0.052 1.403 109CYS2 HA 1603 1.288 -0.007 1.490 109CYS2 CB 1604 1.394 0.061 1.319 109CYS2 HB1 1605 1.315 0.125 1.285 109CYS2 HB2 1606 1.442 0.017 1.234 109CYS2 SG 1607 1.514 0.160 1.410 109CYS2 C 1608 1.226 -0.128 1.324 109CYS2 O 1609 1.265 -0.216 1.243 110ALA N 1610 1.103 -0.087 1.333 110ALA H 1611 1.079 -0.013 1.395 110ALA CA 1612 1.000 -0.152 1.253 110ALA HA 1613 1.029 -0.254 1.235 110ALA CB 1614 0.867 -0.152 1.328 110ALA HB1 1615 0.838 -0.051 1.347 110ALA HB2 1616 0.793 -0.200 1.267 110ALA HB3 1617 0.879 -0.205 1.420 110ALA C 1618 0.986 -0.081 1.119 110ALA O 1619 1.017 0.041 1.108 111SER N 1620 0.951 -0.154 1.019 111SER H 1621 0.928 -0.250 1.036 111SER CA 1622 0.943 -0.104 0.882 111SER HA 1623 1.007 -0.018 0.875 111SER CB 1624 0.993 -0.217 0.783 111SER HB1 1625 0.992 -0.180 0.682 111SER HB2 1626 0.928 -0.302 0.789 111SER OG 1627 1.126 -0.257 0.817 111SER HG 1628 1.127 -0.290 0.907 111SER C 1629 0.802 -0.056 0.843 111SER O 1630 0.699 -0.102 0.900 112ALA N 1631 0.798 0.026 0.735 112ALA H 1632 0.884 0.065 0.702 112ALA CA 1633 0.674 0.062 0.664 112ALA HA 1634 0.617 0.126 0.728 112ALA CB 1635 0.712 0.128 0.531 112ALA HB1 1636 0.770 0.059 0.473 112ALA HB2 1637 0.622 0.154 0.479 112ALA HB3 1638 0.770 0.216 0.551 112ALA C 1639 0.591 -0.063 0.628 112ALA O 1640 0.650 -0.168 0.587 113GLY N 1641 0.463 -0.053 0.654 113GLY H 1642 0.428 0.033 0.693 113GLY CA 1643 0.372 -0.160 0.629 113GLY HA1 1644 0.414 -0.224 0.554 113GLY HA2 1645 0.280 -0.119 0.593 113GLY C 1646 0.344 -0.242 0.754 113GLY O 1647 0.239 -0.310 0.755 114THR N 1648 0.428 -0.233 0.854 114THR H 1649 0.513 -0.181 0.845 114THR CA 1650 0.394 -0.300 0.982 114THR HA 1651 0.373 -0.403 0.961 114THR CB 1652 0.513 -0.283 1.079 114THR HB 1653 0.524 -0.179 1.104 114THR CG2 1654 0.491 -0.352 1.219 114THR HG21 1655 0.477 -0.458 1.203 114THR HG22 1656 0.578 -0.336 1.280 114THR HG23 1657 0.405 -0.310 1.266 114THR OG1 1658 0.633 -0.332 1.010 114THR HG1 1659 0.647 -0.280 0.930 114THR C 1660 0.271 -0.234 1.047 114THR O 1661 0.269 -0.109 1.054 115GLN N 1662 0.180 -0.318 1.096 115GLN H 1663 0.197 -0.416 1.083 115GLN CA 1664 0.061 -0.282 1.166 115GLN HA 1665 0.031 -0.186 1.129 115GLN CB 1666 -0.047 -0.388 1.138 115GLN HB1 1667 -0.039 -0.466 1.210 115GLN HB2 1668 -0.031 -0.429 1.040 115GLN CG 1669 -0.190 -0.327 1.144 115GLN HG1 1670 -0.200 -0.253 1.067 115GLN HG2 1671 -0.204 -0.281 1.240 115GLN CD 1672 -0.296 -0.435 1.123 115GLN OE1 1673 -0.339 -0.502 1.221 115GLN NE2 1674 -0.359 -0.423 1.010 115GLN HE21 1675 -0.431 -0.488 0.985 115GLN HE22 1676 -0.336 -0.348 0.947 115GLN C 1677 0.079 -0.265 1.317 115GLN O 1678 0.156 -0.341 1.382 116CYS2 N 1679 0.029 -0.155 1.372 116CYS2 H 1680 -0.032 -0.097 1.317 116CYS2 CA 1681 0.059 -0.117 1.510 116CYS2 HA 1682 0.102 -0.203 1.558 116CYS2 CB 1683 0.162 -0.000 1.517 116CYS2 HB1 1684 0.186 0.017 1.620 116CYS2 HB2 1685 0.116 0.087 1.476 116CYS2 SG 1686 0.321 -0.026 1.427 116CYS2 C 1687 -0.067 -0.078 1.586 116CYS2 O 1688 -0.164 -0.040 1.522 117LEU N 1689 -0.064 -0.086 1.714 117LEU H 1690 0.018 -0.123 1.758 117LEU CA 1691 -0.174 -0.043 1.798 117LEU HA 1692 -0.261 -0.028 1.737 117LEU CB 1693 -0.186 -0.149 1.910 117LEU HB1 1694 -0.098 -0.144 1.971 117LEU HB2 1695 -0.192 -0.246 1.865 117LEU CG 1696 -0.309 -0.128 2.000 117LEU HG 1697 -0.301 -0.029 2.041 117LEU CD1 1698 -0.439 -0.131 1.918 117LEU HD11 1699 -0.448 -0.226 1.869 117LEU HD12 1700 -0.522 -0.116 1.983 117LEU HD13 1701 -0.436 -0.052 1.844 117LEU CD2 1702 -0.312 -0.220 2.125 117LEU HD21 1703 -0.226 -0.200 2.185 117LEU HD22 1704 -0.401 -0.199 2.181 117LEU HD23 1705 -0.313 -0.322 2.093 117LEU C 1706 -0.137 0.085 1.877 117LEU O 1707 -0.035 0.089 1.952 118ILE N 1708 -0.222 0.181 1.857 118ILE H 1709 -0.301 0.167 1.797 118ILE CA 1710 -0.202 0.311 1.922 118ILE HA 1711 -0.111 0.314 1.978 118ILE CB 1712 -0.194 0.422 1.813 118ILE HB 1713 -0.287 0.416 1.759 118ILE CG2 1714 -0.191 0.569 1.866 118ILE HG21 1715 -0.105 0.582 1.929 118ILE HG22 1716 -0.186 0.636 1.783 118ILE HG23 1717 -0.281 0.587 1.922 118ILE CG1 1718 -0.076 0.394 1.716 118ILE HG11 1719 -0.062 0.288 1.706 118ILE HG12 1720 0.014 0.437 1.757 118ILE CD 1721 -0.102 0.456 1.576 118ILE HD1 1722 -0.115 0.562 1.586 118ILE HD2 1723 -0.019 0.434 1.512 118ILE HD3 1724 -0.191 0.412 1.535 118ILE C 1725 -0.321 0.332 2.015 118ILE O 1726 -0.437 0.292 1.985 119SER N 1727 -0.295 0.384 2.134 119SER H 1728 -0.203 0.413 2.160 119SER CA 1729 -0.411 0.394 2.227 119SER HA 1730 -0.503 0.400 2.172 119SER CB 1731 -0.413 0.269 2.316 119SER HB1 1732 -0.440 0.184 2.256 119SER HB2 1733 -0.485 0.281 2.394 119SER OG 1734 -0.281 0.249 2.373 119SER HG 1735 -0.282 0.171 2.428 119SER C 1736 -0.401 0.524 2.311 119SER O 1737 -0.292 0.583 2.325 120GLY N 1738 -0.512 0.568 2.366 120GLY H 1739 -0.597 0.519 2.349 120GLY CA 1740 -0.514 0.686 2.449 120GLY HA1 1741 -0.459 0.764 2.400 120GLY HA2 1742 -0.466 0.663 2.542 120GLY C 1743 -0.657 0.734 2.477 120GLY O 1744 -0.759 0.684 2.423 121TRP N 1745 -0.657 0.834 2.566 121TRP H 1746 -0.569 0.868 2.601 121TRP CA 1747 -0.779 0.897 2.614 121TRP HA 1748 -0.862 0.832 2.591 121TRP CB 1749 -0.773 0.916 2.770 121TRP HB1 1750 -0.853 0.981 2.799 121TRP HB2 1751 -0.679 0.961 2.795 121TRP CG 1752 -0.787 0.783 2.846 121TRP CD1 1753 -0.904 0.718 2.878 121TRP HD1 1754 -1.002 0.748 2.847 121TRP NE1 1755 -0.875 0.606 2.959 121TRP HE1 1756 -0.942 0.544 2.998 121TRP CE2 1757 -0.747 0.597 2.973 121TRP CZ2 1758 -0.674 0.500 3.041 121TRP HZ2 1759 -0.721 0.417 3.089 121TRP CH2 1760 -0.535 0.518 3.044 121TRP HH2 1761 -0.474 0.447 3.097 121TRP CZ3 1762 -0.472 0.628 2.980 121TRP HZ3 1763 -0.365 0.638 2.986 121TRP CE3 1764 -0.545 0.723 2.908 121TRP HE3 1765 -0.498 0.805 2.859 121TRP CD2 1766 -0.684 0.706 2.905 121TRP C 1767 -0.803 1.031 2.544 121TRP O 1768 -0.873 1.117 2.601 122GLY N 1769 -0.736 1.054 2.434 122GLY H 1770 -0.681 0.981 2.394 122GLY CA 1771 -0.741 1.187 2.367 122GLY HA1 1772 -0.657 1.194 2.301 122GLY HA2 1773 -0.733 1.263 2.442 122GLY C 1774 -0.869 1.211 2.287 122GLY O 1775 -0.962 1.127 2.287 123ASN N 1776 -0.882 1.333 2.232 123ASN H 1777 -0.807 1.398 2.242 123ASN CA 1778 -1.002 1.377 2.158 123ASN HA 1779 -1.085 1.381 2.226 123ASN CB 1780 -0.971 1.516 2.099 123ASN HB1 1781 -0.896 1.506 2.023 123ASN HB2 1782 -0.934 1.579 2.177 123ASN CG 1783 -1.094 1.583 2.037 123ASN OD1 1784 -1.209 1.535 2.042 123ASN ND2 1785 -1.066 1.693 1.969 123ASN HD21 1786 -1.139 1.745 1.924 123ASN HD22 1787 -0.971 1.725 1.962 123ASN C 1788 -1.046 1.276 2.047 123ASN O 1789 -0.959 1.215 1.975 124THR N 1790 -1.174 1.251 2.042 124THR H 1791 -1.239 1.298 2.102 124THR CA 1792 -1.219 1.152 1.944 124THR HA 1793 -1.133 1.097 1.913 124THR CB 1794 -1.321 1.056 2.010 124THR HB 1795 -1.346 0.980 1.938 124THR CG2 1796 -1.266 0.976 2.131 124THR HG21 1797 -1.235 1.045 2.207 124THR HG22 1798 -1.344 0.912 2.170 124THR HG23 1799 -1.183 0.917 2.099 124THR OG1 1800 -1.439 1.133 2.047 124THR HG1 1801 -1.413 1.201 2.110 124THR C 1802 -1.282 1.217 1.819 124THR O 1803 -1.334 1.146 1.726 125LYP N 1804 -1.278 1.350 1.813 125LYP H 1805 -1.237 1.402 1.888 125LYP CA 1806 -1.332 1.422 1.696 125LYP HA 1807 -1.372 1.342 1.635 125LYP CB 1808 -1.443 1.522 1.736 125LYP HB1 1809 -1.479 1.573 1.649 125LYP HB2 1810 -1.403 1.595 1.804 125LYP CG 1811 -1.559 1.448 1.803 125LYP HG1 1812 -1.639 1.517 1.820 125LYP HG2 1813 -1.526 1.409 1.897 125LYP CD 1814 -1.613 1.331 1.718 125LYP HD1 1815 -1.530 1.274 1.680 125LYP HD2 1816 -1.669 1.370 1.636 125LYP CE 1817 -1.703 1.238 1.803 125LYP HE1 1818 -1.794 1.289 1.826 125LYP HE2 1819 -1.652 1.212 1.893 125LYP NZ 1820 -1.734 1.116 1.728 125LYP HZ1 1821 -1.649 1.068 1.706 125LYP HZ2 1822 -1.792 1.057 1.784 125LYP HZ3 1823 -1.781 1.140 1.643 125LYP C 1824 -1.229 1.497 1.610 125LYP O 1825 -1.135 1.558 1.669 126SER N 1826 -1.250 1.494 1.474 126SER H 1827 -1.323 1.438 1.436 126SER CA 1828 -1.163 1.573 1.384 126SER HA 1829 -1.064 1.562 1.424 126SER CB 1830 -1.163 1.521 1.240 126SER HB1 1831 -1.151 1.415 1.240 126SER HB2 1832 -1.082 1.566 1.185 126SER OG 1833 -1.288 1.557 1.178 126SER HG 1834 -1.288 1.525 1.088 126SER C 1835 -1.204 1.720 1.382 126SER O 1836 -1.120 1.810 1.356 127SER N 1837 -1.329 1.744 1.407 127SER H 1838 -1.391 1.667 1.423 127SER CA 1839 -1.381 1.880 1.413 127SER HA 1840 -1.300 1.950 1.412 127SER CB 1841 -1.473 1.905 1.291 127SER HB1 1842 -1.507 2.007 1.291 127SER HB2 1843 -1.558 1.840 1.296 127SER OG 1844 -1.400 1.879 1.170 127SER HG 1845 -1.457 1.895 1.095 127SER C 1846 -1.463 1.897 1.542 127SER O 1847 -1.532 1.802 1.586 128GLY N 1848 -1.425 1.989 1.622 128GLY H 1849 -1.363 2.063 1.594 128GLY CA 1850 -1.482 1.978 1.757 128GLY HA1 1851 -1.584 1.946 1.747 128GLY HA2 1852 -1.479 2.076 1.801 128GLY C 1853 -1.410 1.881 1.852 128GLY O 1854 -1.294 1.837 1.826 129THR N 1855 -1.467 1.881 1.974 129THR H 1856 -1.560 1.917 1.981 129THR CA 1857 -1.406 1.832 2.100 129THR HA 1858 -1.318 1.776 2.074 129THR CB 1859 -1.362 1.952 2.188 129THR HB 1860 -1.450 2.011 2.204 129THR CG2 1861 -1.314 1.912 2.329 129THR HG21 1862 -1.230 1.847 2.320 129THR HG22 1863 -1.287 2.001 2.382 129THR HG23 1864 -1.394 1.862 2.380 129THR OG1 1865 -1.260 2.027 2.121 129THR HG1 1866 -1.295 2.059 2.037 129THR C 1867 -1.498 1.739 2.174 129THR O 1868 -1.618 1.770 2.200 130SER N 1869 -1.443 1.621 2.198 130SER H 1870 -1.352 1.601 2.162 130SER CA 1871 -1.515 1.518 2.277 130SER HA 1872 -1.562 1.574 2.356 130SER CB 1873 -1.617 1.443 2.194 130SER HB1 1874 -1.569 1.395 2.111 130SER HB2 1875 -1.691 1.511 2.157 130SER OG 1876 -1.676 1.346 2.280 130SER HG 1877 -1.718 1.391 2.354 130SER C 1878 -1.422 1.410 2.333 130SER O 1879 -1.360 1.336 2.253 131TYR N 1880 -1.403 1.420 2.464 131TYR H 1881 -1.460 1.484 2.517 131TYR CA 1882 -1.303 1.342 2.533 131TYR HA 1883 -1.229 1.309 2.462 131TYR CB 1884 -1.231 1.426 2.636 131TYR HB1 1885 -1.183 1.361 2.708 131TYR HB2 1886 -1.301 1.488 2.688 131TYR CG 1887 -1.125 1.513 2.566 131TYR CD1 1888 -0.991 1.479 2.571 131TYR HD1 1889 -0.961 1.389 2.621 131TYR CE1 1890 -0.894 1.562 2.510 131TYR HE1 1891 -0.791 1.535 2.512 131TYR CZ 1892 -0.935 1.679 2.446 131TYR OH 1893 -0.840 1.768 2.381 131TYR HH 1894 -0.887 1.842 2.343 131TYR CE2 1895 -1.070 1.713 2.445 131TYR HE2 1896 -1.102 1.804 2.397 131TYR CD2 1897 -1.164 1.630 2.505 131TYR HD2 1898 -1.268 1.658 2.504 131TYR C 1899 -1.370 1.222 2.598 131TYR O 1900 -1.478 1.243 2.657 132PRO N 1901 -1.321 1.101 2.566 132PRO CD 1902 -1.193 1.079 2.499 132PRO HD1 1903 -1.193 1.125 2.402 132PRO HD2 1904 -1.113 1.120 2.557 132PRO CG 1905 -1.176 0.926 2.485 132PRO HG1 1906 -1.158 0.899 2.383 132PRO HG2 1907 -1.093 0.892 2.545 132PRO CB 1908 -1.307 0.862 2.536 132PRO HB1 1909 -1.368 0.830 2.453 132PRO HB2 1910 -1.287 0.778 2.599 132PRO CA 1911 -1.379 0.975 2.616 132PRO HA 1912 -1.485 0.974 2.606 132PRO C 1913 -1.337 0.956 2.764 132PRO O 1914 -1.225 1.000 2.804 133ASP N 1915 -1.417 0.883 2.837 133ASP H 1916 -1.507 0.853 2.804 133ASP CA 1917 -1.367 0.845 2.971 133ASP HA 1918 -1.295 0.919 3.000 133ASP CB 1919 -1.480 0.853 3.078 133ASP HB1 1920 -1.442 0.821 3.173 133ASP HB2 1921 -1.561 0.788 3.050 133ASP CG 1922 -1.531 0.999 3.089 133ASP OD1 1923 -1.450 1.094 3.072 133ASP OD2 1924 -1.639 1.023 3.149 133ASP C 1925 -1.287 0.713 2.973 133ASP O 1926 -1.201 0.693 3.063 134VAL N 1927 -1.313 0.625 2.875 134VAL H 1928 -1.381 0.649 2.806 134VAL CA 1929 -1.246 0.494 2.864 134VAL HA 1930 -1.192 0.480 2.955 134VAL CB 1931 -1.348 0.380 2.848 134VAL HB 1932 -1.294 0.289 2.831 134VAL CG1 1933 -1.431 0.362 2.975 134VAL HG11 1934 -1.484 0.454 2.995 134VAL HG12 1935 -1.501 0.282 2.960 134VAL HG13 1936 -1.365 0.339 3.056 134VAL CG2 1937 -1.440 0.405 2.727 134VAL HG21 1938 -1.380 0.410 2.638 134VAL HG22 1939 -1.510 0.324 2.718 134VAL HG23 1940 -1.492 0.497 2.741 134VAL C 1941 -1.146 0.491 2.749 134VAL O 1942 -1.151 0.574 2.654 135LEU N 1943 -1.053 0.400 2.760 135LEU H 1944 -1.061 0.332 2.832 135LEU CA 1945 -0.937 0.394 2.670 135LEU HA 1946 -0.893 0.492 2.663 135LEU CB 1947 -0.832 0.295 2.729 135LEU HB1 1948 -0.872 0.195 2.724 135LEU HB2 1949 -0.814 0.320 2.831 135LEU CG 1950 -0.697 0.298 2.652 135LEU HG 1951 -0.719 0.285 2.548 135LEU CD1 1952 -0.624 0.435 2.668 135LEU HD11 1953 -0.604 0.452 2.773 135LEU HD12 1954 -0.532 0.432 2.614 135LEU HD13 1955 -0.687 0.513 2.630 135LEU CD2 1956 -0.605 0.183 2.700 135LEU HD21 1957 -0.654 0.089 2.681 135LEU HD22 1958 -0.513 0.187 2.645 135LEU HD23 1959 -0.587 0.194 2.805 135LEU C 1960 -0.979 0.354 2.527 135LEU O 1961 -1.061 0.261 2.509 136LYP N 1962 -0.927 0.426 2.430 136LYP H 1963 -0.865 0.502 2.453 136LYP CA 1964 -0.959 0.398 2.288 136LYP HA 1965 -1.035 0.322 2.286 136LYP CB 1966 -1.008 0.526 2.216 136LYP HB1 1967 -0.963 0.528 2.119 136LYP HB2 1968 -0.974 0.610 2.273 136LYP CG 1969 -1.162 0.541 2.197 136LYP HG1 1970 -1.193 0.463 2.130 136LYP HG2 1971 -1.179 0.636 2.150 136LYP CD 1972 -1.248 0.534 2.316 136LYP HD1 1973 -1.233 0.620 2.377 136LYP HD2 1974 -1.225 0.446 2.372 136LYP CE 1975 -1.394 0.528 2.268 136LYP HE1 1976 -1.405 0.446 2.201 136LYP HE2 1977 -1.417 0.619 2.217 136LYP NZ 1978 -1.486 0.512 2.381 136LYP HZ1 1979 -1.476 0.589 2.444 136LYP HZ2 1980 -1.580 0.508 2.346 136LYP HZ3 1981 -1.465 0.426 2.429 136LYP C 1982 -0.833 0.349 2.216 136LYP O 1983 -0.720 0.379 2.261 137CYS2 N 1984 -0.854 0.264 2.117 137CYS2 H 1985 -0.949 0.246 2.091 137CYS2 CA 1986 -0.747 0.194 2.042 137CYS2 HA 1987 -0.652 0.232 2.074 137CYS2 CB 1988 -0.757 0.040 2.068 137CYS2 HB1 1989 -0.709 -0.012 1.988 137CYS2 HB2 1990 -0.861 0.012 2.071 137CYS2 SG 1991 -0.679 -0.009 2.224 137CYS2 C 1992 -0.766 0.217 1.893 137CYS2 O 1993 -0.882 0.236 1.846 138LEU N 1994 -0.656 0.204 1.821 138LEU H 1995 -0.570 0.183 1.868 138LEU CA 1996 -0.655 0.219 1.673 138LEU HA 1997 -0.748 0.196 1.625 138LEU CB 1998 -0.624 0.371 1.638 138LEU HB1 1999 -0.533 0.400 1.688 138LEU HB2 2000 -0.705 0.431 1.676 138LEU CG 2001 -0.608 0.402 1.487 138LEU HG 2002 -0.524 0.343 1.457 138LEU CD1 2003 -0.733 0.358 1.408 138LEU HD11 2004 -0.818 0.412 1.445 138LEU HD12 2005 -0.718 0.381 1.304 138LEU HD13 2006 -0.747 0.253 1.421 138LEU CD2 2007 -0.569 0.549 1.451 138LEU HD21 2008 -0.474 0.572 1.496 138LEU HD22 2009 -0.561 0.558 1.344 138LEU HD23 2010 -0.644 0.616 1.487 138LEU C 2011 -0.547 0.123 1.626 138LEU O 2012 -0.431 0.139 1.667 139LYP N 2013 -0.574 0.042 1.526 139LYP H 2014 -0.669 0.027 1.498 139LYP CA 2015 -0.465 -0.026 1.456 139LYP HA 2016 -0.378 -0.033 1.518 139LYP CB 2017 -0.515 -0.168 1.416 139LYP HB1 2018 -0.443 -0.212 1.350 139LYP HB2 2019 -0.609 -0.159 1.366 139LYP CG 2020 -0.531 -0.258 1.539 139LYP HG1 2021 -0.608 -0.219 1.603 139LYP HG2 2022 -0.439 -0.264 1.593 139LYP CD 2023 -0.572 -0.400 1.490 139LYP HD1 2024 -0.494 -0.436 1.426 139LYP HD2 2025 -0.662 -0.391 1.434 139LYP CE 2026 -0.594 -0.503 1.603 139LYP HE1 2027 -0.511 -0.501 1.671 139LYP HE2 2028 -0.602 -0.601 1.560 139LYP NZ 2029 -0.717 -0.473 1.677 139LYP HZ1 2030 -0.795 -0.476 1.614 139LYP HZ2 2031 -0.730 -0.541 1.749 139LYP HZ3 2032 -0.710 -0.382 1.717 139LYP C 2033 -0.432 0.052 1.328 139LYP O 2034 -0.526 0.102 1.259 140ALA N 2035 -0.305 0.082 1.309 140ALA H 2036 -0.236 0.048 1.372 140ALA CA 2037 -0.264 0.165 1.192 140ALA HA 2038 -0.337 0.156 1.115 140ALA CB 2039 -0.252 0.315 1.234 140ALA HB1 2040 -0.178 0.324 1.312 140ALA HB2 2041 -0.221 0.372 1.149 140ALA HB3 2042 -0.347 0.349 1.269 140ALA C 2043 -0.127 0.117 1.143 140ALA O 2044 -0.046 0.064 1.221 141PRO N 2045 -0.105 0.122 1.014 141PRO CD 2046 -0.206 0.167 0.914 141PRO HD1 2047 -0.296 0.109 0.921 141PRO HD2 2048 -0.230 0.270 0.927 141PRO CG 2049 -0.137 0.144 0.777 141PRO HG1 2050 -0.198 0.083 0.715 141PRO HG2 2051 -0.120 0.238 0.729 141PRO CB 2052 -0.001 0.073 0.803 141PRO HB1 2053 -0.007 -0.030 0.775 141PRO HB2 2054 0.077 0.121 0.747 141PRO CA 2055 0.026 0.087 0.956 141PRO HA 2056 0.065 0.000 1.005 141PRO C 2057 0.129 0.202 0.969 141PRO O 2058 0.098 0.324 0.956 142ILE N 2059 0.251 0.166 0.980 142ILE H 2060 0.272 0.072 1.006 142ILE CA 2061 0.360 0.259 0.956 142ILE HA 2062 0.339 0.349 1.011 142ILE CB 2063 0.498 0.202 1.007 142ILE HB 2064 0.516 0.111 0.954 142ILE CG2 2065 0.621 0.294 0.970 142ILE HG21 2066 0.607 0.390 1.015 142ILE HG22 2067 0.710 0.248 1.008 142ILE HG23 2068 0.627 0.303 0.864 142ILE CG1 2069 0.489 0.172 1.160 142ILE HG11 2070 0.401 0.114 1.179 142ILE HG12 2071 0.483 0.264 1.213 142ILE CD 2072 0.611 0.095 1.211 142ILE HD1 2073 0.699 0.153 1.193 142ILE HD2 2074 0.599 0.077 1.316 142ILE HD3 2075 0.617 0.001 1.158 142ILE C 2076 0.369 0.288 0.807 142ILE O 2077 0.376 0.190 0.728 143LEU N 2078 0.373 0.417 0.774 143LEU H 2079 0.361 0.483 0.847 143LEU CA 2080 0.394 0.468 0.640 143LEU HA 2081 0.349 0.396 0.574 143LEU CB 2082 0.325 0.607 0.626 143LEU HB1 2083 0.334 0.642 0.525 143LEU HB2 2084 0.374 0.678 0.691 143LEU CG 2085 0.176 0.596 0.665 143LEU HG 2086 0.179 0.557 0.765 143LEU CD1 2087 0.103 0.731 0.664 143LEU HD11 2088 0.109 0.773 0.566 143LEU HD12 2089 0.001 0.716 0.692 143LEU HD13 2090 0.151 0.797 0.735 143LEU CD2 2091 0.097 0.497 0.577 143LEU HD21 2092 0.141 0.400 0.586 143LEU HD22 2093 -0.004 0.495 0.610 143LEU HD23 2094 0.102 0.530 0.475 143LEU C 2095 0.540 0.477 0.596 143LEU O 2096 0.635 0.491 0.680 144SER N 2097 0.559 0.473 0.464 144SER H 2098 0.484 0.454 0.401 144SER CA 2099 0.694 0.497 0.416 144SER HA 2100 0.754 0.422 0.464 144SER CB 2101 0.705 0.481 0.262 144SER HB1 2102 0.674 0.383 0.232 144SER HB2 2103 0.806 0.497 0.230 144SER OG 2104 0.617 0.582 0.203 144SER HG 2105 0.622 0.575 0.108 144SER C 2106 0.748 0.636 0.453 144SER O 2107 0.672 0.735 0.466 145ASP N 2108 0.876 0.641 0.468 145ASP H 2109 0.931 0.557 0.465 145ASP CA 2110 0.941 0.772 0.491 145ASP HA 2111 0.899 0.818 0.578 145ASP CB 2112 1.091 0.747 0.513 145ASP HB1 2113 1.126 0.678 0.439 145ASP HB2 2114 1.106 0.705 0.610 145ASP CG 2115 1.173 0.876 0.502 145ASP OD1 2116 1.249 0.905 0.597 145ASP OD2 2117 1.200 0.909 0.377 145ASP C 2118 0.915 0.870 0.378 145ASP O 2119 0.896 0.990 0.407 146SER N 2120 0.902 0.816 0.257 146SER H 2121 0.914 0.717 0.248 146SER CA 2122 0.873 0.893 0.136 146SER HA 2123 0.947 0.969 0.120 146SER CB 2124 0.874 0.795 0.011 146SER HB1 2125 0.859 0.851 -0.079 146SER HB2 2126 0.795 0.723 0.022 146SER OG 2127 1.000 0.727 0.005 146SER HG 2128 1.013 0.677 0.086 146SER C 2129 0.738 0.960 0.152 146SER O 2130 0.720 1.083 0.128 147SER N 2131 0.642 0.880 0.189 147SER H 2132 0.661 0.784 0.208 147SER CA 2133 0.507 0.932 0.202 147SER HA 2134 0.479 0.979 0.110 147SER CB 2135 0.402 0.818 0.229 147SER HB1 2136 0.406 0.747 0.148 147SER HB2 2137 0.304 0.861 0.233 147SER OG 2138 0.429 0.751 0.352 147SER HG 2139 0.517 0.712 0.348 147SER C 2140 0.506 1.032 0.319 147SER O 2141 0.438 1.138 0.314 148CYS2 N 2142 0.586 1.003 0.417 148CYS2 H 2143 0.651 0.927 0.412 148CYS2 CA 2144 0.577 1.087 0.536 148CYS2 HA 2145 0.476 1.103 0.566 148CYS2 CB 2146 0.654 1.012 0.650 148CYS2 HB1 2147 0.757 1.004 0.621 148CYS2 HB2 2148 0.612 0.914 0.659 148CYS2 SG 2149 0.646 1.093 0.814 148CYS2 C 2150 0.633 1.230 0.508 148CYS2 O 2151 0.574 1.336 0.550 149LYP N 2152 0.743 1.229 0.439 149LYP H 2153 0.779 1.141 0.407 149LYP CA 2154 0.815 1.349 0.406 149LYP HA 2155 0.812 1.417 0.489 149LYP CB 2156 0.968 1.322 0.388 149LYP HB1 2157 1.016 1.412 0.353 149LYP HB2 2158 0.982 1.244 0.316 149LYP CG 2159 1.031 1.280 0.522 149LYP HG1 2160 0.983 1.191 0.557 149LYP HG2 2161 1.015 1.358 0.594 149LYP CD 2162 1.182 1.253 0.511 149LYP HD1 2163 1.230 1.340 0.470 149LYP HD2 2164 1.198 1.171 0.444 149LYP CE 2165 1.244 1.220 0.647 149LYP HE1 2166 1.185 1.145 0.696 149LYP HE2 2167 1.246 1.309 0.708 149LYP NZ 2168 1.381 1.171 0.630 149LYP HZ1 2169 1.436 1.241 0.585 149LYP HZ2 2170 1.420 1.150 0.720 149LYP HZ3 2171 1.379 1.088 0.574 149LYP C 2172 0.745 1.425 0.294 149LYP O 2173 0.743 1.550 0.299 150SER N 2174 0.662 1.355 0.220 150SER H 2175 0.655 1.256 0.232 150SER CA 2176 0.582 1.423 0.120 150SER HA 2177 0.641 1.503 0.081 150SER CB 2178 0.545 1.326 0.005 150SER HB1 2179 0.635 1.285 -0.037 150SER HB2 2180 0.492 1.379 -0.071 150SER OG 2181 0.463 1.219 0.052 150SER HG 2182 0.382 1.255 0.090 150SER C 2183 0.457 1.488 0.180 150SER O 2184 0.413 1.597 0.131 151ALA N 2185 0.416 1.434 0.294 151ALA H 2186 0.460 1.350 0.328 151ALA CA 2187 0.306 1.493 0.373 151ALA HA 2188 0.239 1.521 0.294 151ALA CB 2189 0.227 1.400 0.466 151ALA HB1 2190 0.294 1.357 0.538 151ALA HB2 2191 0.152 1.457 0.516 151ALA HB3 2192 0.182 1.323 0.407 151ALA C 2193 0.349 1.615 0.452 151ALA O 2194 0.270 1.709 0.466 152TYR N 2195 0.469 1.616 0.500 152TYR H 2196 0.531 1.542 0.474 152TYR CA 2197 0.519 1.721 0.591 152TYR HA 2198 0.448 1.802 0.589 152TYR CB 2199 0.534 1.667 0.734 152TYR HB1 2200 0.579 1.742 0.796 152TYR HB2 2201 0.597 1.580 0.733 152TYR CG 2202 0.396 1.628 0.794 152TYR CD1 2203 0.359 1.495 0.813 152TYR HD1 2204 0.420 1.415 0.778 152TYR CE1 2205 0.239 1.467 0.880 152TYR HE1 2206 0.209 1.366 0.896 152TYR CZ 2207 0.159 1.572 0.925 152TYR OH 2208 0.034 1.548 0.992 152TYR HH 2209 0.019 1.454 0.997 152TYR CE2 2210 0.193 1.703 0.900 152TYR HE2 2211 0.128 1.783 0.928 152TYR CD2 2212 0.313 1.731 0.837 152TYR HD2 2213 0.342 1.833 0.821 152TYR C 2214 0.656 1.770 0.545 152TYR O 2215 0.758 1.740 0.610 153PRO N 2216 0.659 1.831 0.427 153PRO CD 2217 0.543 1.871 0.341 153PRO HD1 2218 0.494 1.783 0.303 153PRO HD2 2219 0.472 1.927 0.399 153PRO CG 2220 0.595 1.956 0.226 153PRO HG1 2221 0.569 1.911 0.132 153PRO HG2 2222 0.553 2.054 0.230 153PRO CB 2223 0.748 1.960 0.243 153PRO HB1 2224 0.797 1.918 0.157 153PRO HB2 2225 0.781 2.062 0.255 153PRO CA 2226 0.784 1.878 0.370 153PRO HA 2227 0.846 1.794 0.345 153PRO C 2228 0.866 1.961 0.468 153PRO O 2229 0.807 2.050 0.530 154GLY N 2230 0.991 1.926 0.484 154GLY H 2231 1.026 1.846 0.435 154GLY CA 2232 1.082 2.001 0.572 154GLY HA1 2233 1.067 2.106 0.555 154GLY HA2 2234 1.183 1.976 0.545 154GLY C 2235 1.068 1.976 0.724 154GLY O 2236 1.138 2.045 0.804 155GLN N 2237 0.976 1.888 0.765 155GLN H 2238 0.926 1.832 0.700 155GLN CA 2239 0.949 1.877 0.908 155GLN HA 2240 1.005 1.953 0.959 155GLN CB 2241 0.799 1.893 0.930 155GLN HB1 2242 0.775 1.873 1.032 155GLN HB2 2243 0.745 1.825 0.867 155GLN CG 2244 0.766 2.042 0.892 155GLN HG1 2245 0.826 2.072 0.809 155GLN HG2 2246 0.787 2.105 0.976 155GLN CD 2247 0.619 2.056 0.855 155GLN OE1 2248 0.586 2.059 0.732 155GLN NE2 2249 0.536 2.066 0.955 155GLN HE21 2250 0.438 2.075 0.937 155GLN HE22 2251 0.569 2.063 1.049 155GLN C 2252 0.993 1.742 0.962 155GLN O 2253 0.994 1.722 1.087 156ILE N 2254 1.008 1.643 0.877 156ILE H 2255 1.001 1.656 0.778 156ILE CA 2256 1.038 1.512 0.938 156ILE HA 2257 0.999 1.508 1.038 156ILE CB 2258 0.973 1.405 0.851 156ILE HB 2259 1.017 1.407 0.754 156ILE CG2 2260 1.005 1.262 0.903 156ILE HG21 2261 0.969 1.252 1.003 156ILE HG22 2262 0.958 1.191 0.839 156ILE HG23 2263 1.112 1.248 0.901 156ILE CG1 2264 0.824 1.436 0.824 156ILE HG11 2265 0.785 1.360 0.760 156ILE HG12 2266 0.818 1.531 0.773 156ILE CD 2267 0.736 1.443 0.951 156ILE HD1 2268 0.774 1.520 1.015 156ILE HD2 2269 0.635 1.465 0.923 156ILE HD3 2270 0.740 1.349 1.002 156ILE C 2271 1.189 1.489 0.954 156ILE O 2272 1.269 1.500 0.857 157THR N 2273 1.233 1.446 1.069 157THR H 2274 1.169 1.439 1.145 157THR CA 2275 1.373 1.410 1.089 157THR HA 2276 1.431 1.452 1.009 157THR CB 2277 1.421 1.466 1.227 157THR HB 2278 1.527 1.450 1.230 157THR CG2 2279 1.407 1.619 1.243 157THR HG21 2280 1.304 1.646 1.233 157THR HG22 2281 1.442 1.647 1.341 157THR HG23 2282 1.465 1.668 1.168 157THR OG1 2283 1.359 1.391 1.335 157THR HG1 2284 1.389 1.426 1.419 157THR C 2285 1.391 1.257 1.091 157THR O 2286 1.290 1.182 1.092 158SER N 2287 1.511 1.212 1.109 158SER H 2288 1.586 1.278 1.107 158SER CA 2289 1.546 1.069 1.131 158SER HA 2290 1.512 1.015 1.045 158SER CB 2291 1.702 1.060 1.156 158SER HB1 2292 1.754 1.114 1.079 158SER HB2 2293 1.733 0.957 1.153 158SER OG 2294 1.731 1.117 1.284 158SER HG 2295 1.684 1.067 1.352 158SER C 2296 1.478 1.007 1.253 158SER O 2297 1.479 0.881 1.268 159ASN N 2298 1.438 1.096 1.344 159ASN H 2299 1.443 1.194 1.326 159ASN CA 2300 1.385 1.045 1.473 159ASN HA 2301 1.421 0.946 1.490 159ASN CB 2302 1.431 1.141 1.580 159ASN HB1 2303 1.392 1.112 1.676 159ASN HB2 2304 1.399 1.240 1.558 159ASN CG 2305 1.586 1.133 1.581 159ASN OD1 2306 1.643 1.021 1.589 159ASN ND2 2307 1.649 1.251 1.587 159ASN HD21 2308 1.749 1.254 1.588 159ASN HD22 2309 1.596 1.336 1.589 159ASN C 2310 1.234 1.042 1.472 159ASN O 2311 1.174 1.027 1.581 160MET N 2312 1.175 1.052 1.351 160MET H 2313 1.229 1.061 1.267 160MET CA 2314 1.030 1.049 1.347 160MET HA 2315 0.995 1.025 1.446 160MET CB 2316 0.972 1.189 1.303 160MET HB1 2317 0.865 1.185 1.306 160MET HB2 2318 1.004 1.209 1.202 160MET CG 2319 1.020 1.304 1.393 160MET HG1 2320 1.127 1.298 1.402 160MET HG2 2321 0.975 1.293 1.489 160MET SD 2322 0.975 1.469 1.325 160MET CE 2323 1.050 1.574 1.453 160MET HE1 2324 1.155 1.554 1.458 160MET HE2 2325 1.033 1.677 1.429 160MET HE3 2326 1.005 1.551 1.548 160MET C 2327 0.982 0.945 1.248 160MET O 2328 1.047 0.934 1.141 161PHE N 2329 0.863 0.901 1.269 161PHE H 2330 0.818 0.914 1.357 161PHE CA 2331 0.796 0.831 1.160 161PHE HA 2332 0.839 0.864 1.068 161PHE CB 2333 0.817 0.678 1.169 161PHE HB1 2334 0.922 0.660 1.180 161PHE HB2 2335 0.783 0.633 1.079 161PHE CG 2336 0.744 0.609 1.288 161PHE CD1 2337 0.614 0.564 1.275 161PHE HD1 2338 0.563 0.577 1.181 161PHE CE1 2339 0.549 0.501 1.380 161PHE HE1 2340 0.447 0.468 1.370 161PHE CZ 2341 0.617 0.479 1.501 161PHE HZ 2342 0.567 0.432 1.583 161PHE CE2 2343 0.749 0.520 1.511 161PHE HE2 2344 0.803 0.501 1.602 161PHE CD2 2345 0.813 0.585 1.406 161PHE HD2 2346 0.915 0.617 1.415 161PHE C 2347 0.646 0.866 1.155 161PHE O 2348 0.586 0.905 1.258 162CYS2 N 2349 0.588 0.839 1.036 162CYS2 H 2350 0.645 0.810 0.959 162CYS2 CA 2351 0.446 0.853 1.018 162CYS2 HA 2352 0.414 0.921 1.095 162CYS2 CB 2353 0.399 0.920 0.885 162CYS2 HB1 2354 0.292 0.914 0.882 162CYS2 HB2 2355 0.440 0.863 0.804 162CYS2 SG 2356 0.448 1.097 0.862 162CYS2 C 2357 0.381 0.716 1.031 162CYS2 O 2358 0.433 0.613 0.980 163ALA N 2359 0.262 0.729 1.081 163ALA H 2360 0.234 0.816 1.120 163ALA CA 2361 0.169 0.615 1.082 163ALA HA 2362 0.191 0.555 0.996 163ALA CB 2363 0.190 0.525 1.206 163ALA HB1 2364 0.174 0.584 1.294 163ALA HB2 2365 0.120 0.444 1.202 163ALA HB3 2366 0.291 0.488 1.204 163ALA C 2367 0.025 0.660 1.066 163ALA O 2368 -0.013 0.767 1.118 164GLY N 2369 -0.057 0.577 1.000 164GLY H 2370 -0.022 0.494 0.957 164GLY CA 2371 -0.197 0.610 0.995 164GLY HA1 2372 -0.212 0.711 1.029 164GLY HA2 2373 -0.253 0.544 1.058 164GLY C 2374 -0.245 0.597 0.851 164GLY O 2375 -0.199 0.503 0.780 165TYR N 2376 -0.335 0.684 0.812 165TYR H 2377 -0.357 0.761 0.873 165TYR CA 2378 -0.407 0.673 0.681 165TYR HA 2379 -0.352 0.602 0.622 165TYR CB 2380 -0.553 0.629 0.707 165TYR HB1 2381 -0.605 0.619 0.614 165TYR HB2 2382 -0.602 0.703 0.767 165TYR CG 2383 -0.556 0.493 0.782 165TYR CD1 2384 -0.562 0.488 0.920 165TYR HD1 2385 -0.565 0.578 0.977 165TYR CE1 2386 -0.563 0.366 0.986 165TYR HE1 2387 -0.567 0.362 1.093 165TYR CZ 2388 -0.559 0.249 0.911 165TYR OH 2389 -0.562 0.122 0.975 165TYR HH 2390 -0.558 0.053 0.908 165TYR CE2 2391 -0.548 0.254 0.773 165TYR HE2 2392 -0.542 0.163 0.717 165TYR CD2 2393 -0.546 0.377 0.707 165TYR HD2 2394 -0.537 0.382 0.601 165TYR C 2395 -0.414 0.805 0.605 165TYR O 2396 -0.470 0.903 0.659 166LEU N 2397 -0.359 0.808 0.487 166LEU H 2398 -0.323 0.724 0.449 166LEU CA 2399 -0.349 0.934 0.406 166LEU HA 2400 -0.306 1.014 0.464 166LEU CB 2401 -0.254 0.906 0.285 166LEU HB1 2402 -0.248 0.994 0.225 166LEU HB2 2403 -0.295 0.826 0.227 166LEU CG 2404 -0.112 0.866 0.330 166LEU HG 2405 -0.123 0.792 0.407 166LEU CD1 2406 -0.031 0.801 0.217 166LEU HD11 2407 -0.022 0.870 0.135 166LEU HD12 2408 0.067 0.775 0.254 166LEU HD13 2409 -0.082 0.712 0.184 166LEU CD2 2410 -0.036 0.986 0.392 166LEU HD21 2411 -0.091 1.021 0.477 166LEU HD22 2412 0.062 0.954 0.421 166LEU HD23 2413 -0.028 1.064 0.318 166LEU C 2414 -0.489 0.989 0.368 166LEU O 2415 -0.512 1.111 0.349 167GLU N 2416 -0.587 0.897 0.367 167GLU H 2417 -0.563 0.803 0.389 167GLU CA 2418 -0.726 0.926 0.336 167GLU HA 2419 -0.735 0.994 0.254 167GLU CB 2420 -0.793 0.792 0.296 167GLU HB1 2421 -0.744 0.713 0.349 167GLU HB2 2422 -0.780 0.777 0.191 167GLU CG 2423 -0.943 0.787 0.328 167GLU HG1 2424 -0.999 0.811 0.240 167GLU HG2 2425 -0.966 0.858 0.405 167GLU CD 2426 -0.979 0.646 0.375 167GLU OE1 2427 -0.931 0.546 0.315 167GLU OE2 2428 -1.051 0.641 0.485 167GLU C 2429 -0.794 0.991 0.455 167GLU O 2430 -0.900 1.055 0.439 168GLY N 2431 -0.722 0.999 0.568 168GLY H 2432 -0.630 0.961 0.570 168GLY CA 2433 -0.776 1.063 0.688 168GLY HA1 2434 -0.823 1.155 0.660 168GLY HA2 2435 -0.695 1.085 0.755 168GLY C 2436 -0.879 0.974 0.762 168GLY O 2437 -0.897 0.855 0.725 169GLY N 2438 -0.952 1.027 0.857 169GLY H 2439 -0.933 1.122 0.884 169GLY CA 2440 -1.061 0.955 0.926 169GLY HA1 2441 -1.100 0.881 0.859 169GLY HA2 2442 -1.138 1.025 0.949 169GLY C 2443 -1.018 0.885 1.055 169GLY O 2444 -1.105 0.852 1.139 170LYP N 2445 -0.895 0.846 1.055 170LYP H 2446 -0.834 0.875 0.981 170LYP CA 2447 -0.842 0.758 1.162 170LYP HA 2448 -0.912 0.764 1.243 170LYP CB 2449 -0.831 0.607 1.120 170LYP HB1 2450 -0.790 0.551 1.202 170LYP HB2 2451 -0.766 0.598 1.036 170LYP CG 2452 -0.969 0.547 1.084 170LYP HG1 2453 -1.005 0.595 0.995 170LYP HG2 2454 -1.037 0.566 1.164 170LYP CD 2455 -0.965 0.393 1.057 170LYP HD1 2456 -0.925 0.344 1.144 170LYP HD2 2457 -0.901 0.374 0.974 170LYP CE 2458 -1.105 0.336 1.027 170LYP HE1 2459 -1.144 0.382 0.938 170LYP HE2 2460 -1.171 0.358 1.109 170LYP NZ 2461 -1.099 0.191 1.007 170LYP HZ1 2462 -1.063 0.148 1.090 170LYP HZ2 2463 -1.191 0.156 0.988 170LYP HZ3 2464 -1.038 0.171 0.930 170LYP C 2465 -0.704 0.808 1.207 170LYP O 2466 -0.612 0.817 1.122 171ASP N 2467 -0.694 0.849 1.333 171ASP H 2468 -0.772 0.844 1.396 171ASP CA 2469 -0.565 0.903 1.377 171ASP HA 2470 -0.483 0.845 1.340 171ASP CB 2471 -0.561 1.053 1.324 171ASP HB1 2472 -0.626 1.111 1.386 171ASP HB2 2473 -0.598 1.053 1.224 171ASP CG 2474 -0.424 1.120 1.324 171ASP OD1 2475 -0.410 1.234 1.270 171ASP OD2 2476 -0.320 1.059 1.360 171ASP C 2477 -0.556 0.902 1.532 171ASP O 2478 -0.662 0.912 1.598 172SER N 2479 -0.442 0.933 1.586 172SER H 2480 -0.356 0.922 1.535 172SER CA 2481 -0.441 0.987 1.722 172SER HA 2482 -0.521 0.941 1.776 172SER CB 2483 -0.310 0.952 1.793 172SER HB1 2484 -0.302 0.845 1.803 172SER HB2 2485 -0.309 0.996 1.890 172SER OG 2486 -0.197 1.000 1.718 172SER HG 2487 -0.204 1.096 1.710 172SER C 2488 -0.469 1.140 1.723 172SER O 2489 -0.485 1.209 1.615 173CYS2 N 2490 -0.475 1.195 1.844 173CYS2 H 2491 -0.449 1.142 1.924 173CYS2 CA 2492 -0.521 1.334 1.858 173CYS2 HA 2493 -0.475 1.393 1.782 173CYS2 CB 2494 -0.675 1.340 1.840 173CYS2 HB1 2495 -0.720 1.310 1.932 173CYS2 HB2 2496 -0.701 1.270 1.763 173CYS2 SG 2497 -0.743 1.504 1.793 173CYS2 C 2498 -0.477 1.397 1.991 173CYS2 O 2499 -0.407 1.330 2.069 174GLN N 2500 -0.511 1.523 2.014 174GLN H 2501 -0.569 1.571 1.948 174GLN CA 2502 -0.467 1.594 2.134 174GLN HA 2503 -0.361 1.608 2.134 174GLN CB 2504 -0.542 1.730 2.138 174GLN HB1 2505 -0.527 1.775 2.234 174GLN HB2 2506 -0.647 1.713 2.123 174GLN CG 2507 -0.491 1.828 2.028 174GLN HG1 2508 -0.386 1.812 2.014 174GLN HG2 2509 -0.507 1.929 2.062 174GLN CD 2510 -0.561 1.814 1.892 174GLN OE1 2511 -0.491 1.823 1.788 174GLN NE2 2512 -0.689 1.847 1.894 174GLN HE21 2513 -0.743 1.841 1.811 174GLN HE22 2514 -0.730 1.878 1.980 174GLN C 2515 -0.513 1.515 2.255 174GLN O 2516 -0.626 1.463 2.256 175GLY N 2517 -0.426 1.494 2.348 175GLY H 2518 -0.333 1.529 2.338 175GLY CA 2519 -0.461 1.419 2.469 175GLY HA1 2520 -0.568 1.416 2.479 175GLY HA2 2521 -0.419 1.467 2.555 175GLY C 2522 -0.407 1.277 2.458 175GLY O 2523 -0.399 1.206 2.561 176ASP N 2524 -0.381 1.234 2.333 176ASP H 2525 -0.403 1.290 2.254 176ASP CA 2526 -0.317 1.098 2.319 176ASP HA 2527 -0.359 1.035 2.395 176ASP CB 2528 -0.343 1.044 2.179 176ASP HB1 2529 -0.282 0.958 2.162 176ASP HB2 2530 -0.319 1.119 2.106 176ASP CG 2531 -0.489 1.006 2.166 176ASP OD1 2532 -0.552 1.025 2.059 176ASP OD2 2533 -0.541 0.952 2.266 176ASP C 2534 -0.166 1.108 2.332 176ASP O 2535 -0.091 1.006 2.344 177SER N 2536 -0.119 1.232 2.320 177SER H 2537 -0.183 1.307 2.306 177SER CA 2538 0.030 1.264 2.325 177SER HA 2539 0.067 1.232 2.230 177SER CB 2540 0.052 1.418 2.352 177SER HB1 2541 0.153 1.435 2.385 177SER HB2 2542 -0.016 1.452 2.427 177SER OG 2543 0.029 1.486 2.228 177SER HG 2544 -0.062 1.469 2.200 177SER C 2545 0.108 1.189 2.435 177SER O 2546 0.062 1.188 2.551 178GLY N 2547 0.226 1.139 2.402 178GLY H 2548 0.259 1.149 2.308 178GLY CA 2549 0.310 1.069 2.500 178GLY HA1 2550 0.295 1.112 2.597 178GLY HA2 2551 0.414 1.081 2.473 178GLY C 2552 0.274 0.922 2.502 178GLY O 2553 0.351 0.838 2.550 179GLY N 2554 0.167 0.884 2.442 179GLY H 2555 0.112 0.950 2.390 179GLY CA 2556 0.125 0.745 2.451 179GLY HA1 2557 0.019 0.741 2.433 179GLY HA2 2558 0.145 0.711 2.550 179GLY C 2559 0.192 0.647 2.352 179GLY O 2560 0.276 0.686 2.269 180PRO N 2561 0.161 0.517 2.366 180PRO CD 2562 0.062 0.462 2.463 180PRO HD1 2563 0.081 0.501 2.561 180PRO HD2 2564 -0.038 0.490 2.433 180PRO CG 2565 0.075 0.308 2.463 180PRO HG1 2566 0.093 0.271 2.562 180PRO HG2 2567 -0.013 0.262 2.424 180PRO CB 2568 0.196 0.277 2.373 180PRO HB1 2569 0.279 0.243 2.432 180PRO HB2 2570 0.171 0.201 2.302 180PRO CA 2571 0.236 0.410 2.297 180PRO HA 2572 0.340 0.434 2.299 180PRO C 2573 0.193 0.391 2.149 180PRO O 2574 0.073 0.387 2.114 181VAL N 2575 0.288 0.343 2.073 181VAL H 2576 0.382 0.350 2.106 181VAL CA 2577 0.267 0.280 1.944 181VAL HA 2578 0.163 0.270 1.923 181VAL CB 2579 0.327 0.364 1.825 181VAL HB 2580 0.433 0.362 1.837 181VAL CG1 2581 0.282 0.302 1.690 181VAL HG11 2582 0.175 0.304 1.685 181VAL HG12 2583 0.323 0.360 1.610 181VAL HG13 2584 0.317 0.201 1.684 181VAL CG2 2585 0.275 0.511 1.824 181VAL HG21 2586 0.303 0.558 1.916 181VAL HG22 2587 0.319 0.563 1.741 181VAL HG23 2588 0.168 0.511 1.814 181VAL C 2589 0.343 0.146 1.954 181VAL O 2590 0.470 0.143 1.959 182VAL N 2591 0.265 0.039 1.961 182VAL H 2592 0.166 0.047 1.952 182VAL CA 2593 0.328 -0.092 1.982 182VAL HA 2594 0.432 -0.078 2.001 182VAL CB 2595 0.259 -0.161 2.101 182VAL HB 2596 0.152 -0.161 2.089 182VAL CG1 2597 0.289 -0.315 2.108 182VAL HG11 2598 0.394 -0.330 2.119 182VAL HG12 2599 0.238 -0.357 2.193 182VAL HG13 2600 0.254 -0.362 2.018 182VAL CG2 2601 0.294 -0.077 2.228 182VAL HG21 2602 0.258 0.023 2.216 182VAL HG22 2603 0.248 -0.122 2.314 182VAL HG23 2604 0.401 -0.076 2.241 182VAL C 2605 0.312 -0.178 1.858 182VAL O 2606 0.198 -0.188 1.808 183CYS2 N 2607 0.422 -0.234 1.810 183CYS2 H 2608 0.510 -0.220 1.857 183CYS2 CA 2609 0.417 -0.317 1.688 183CYS2 HA 2610 0.315 -0.331 1.659 183CYS2 CB 2611 0.493 -0.248 1.571 183CYS2 HB1 2612 0.459 -0.290 1.478 183CYS2 HB2 2613 0.598 -0.267 1.582 183CYS2 SG 2614 0.465 -0.067 1.568 183CYS2 C 2615 0.487 -0.447 1.718 183CYS2 O 2616 0.598 -0.441 1.775 184SER N 2617 0.417 -0.554 1.688 184SER H 2618 0.326 -0.546 1.645 184SER CA 2619 0.474 -0.687 1.717 184SER HA 2620 0.399 -0.763 1.713 184SER CB 2621 0.581 -0.716 1.608 184SER HB1 2622 0.618 -0.816 1.620 184SER HB2 2623 0.663 -0.647 1.618 184SER OG 2624 0.522 -0.702 1.478 184SER HG 2625 0.489 -0.613 1.468 184SER C 2626 0.527 -0.696 1.862 184SER O 2627 0.628 -0.763 1.890 185GLY N 2628 0.450 -0.639 1.954 185GLY H 2629 0.375 -0.581 1.924 185GLY CA 2630 0.471 -0.659 2.097 185GLY HA1 2631 0.496 -0.761 2.114 185GLY HA2 2632 0.380 -0.636 2.148 185GLY C 2633 0.581 -0.571 2.152 185GLY O 2634 0.629 -0.598 2.265 186LYP N 2635 0.633 -0.479 2.073 186LYP H 2636 0.594 -0.465 1.981 186LYP CA 2637 0.748 -0.396 2.118 186LYP HA 2638 0.770 -0.421 2.220 186LYP CB 2639 0.874 -0.423 2.032 186LYP HB1 2640 0.942 -0.340 2.041 186LYP HB2 2641 0.846 -0.435 1.929 186LYP CG 2642 0.946 -0.554 2.083 186LYP HG1 2643 0.937 -0.558 2.190 186LYP HG2 2644 1.050 -0.547 2.057 186LYP CD 2645 0.890 -0.684 2.024 186LYP HD1 2646 0.909 -0.685 1.918 186LYP HD2 2647 0.784 -0.686 2.040 186LYP CE 2648 0.952 -0.809 2.087 186LYP HE1 2649 0.939 -0.806 2.194 186LYP HE2 2650 1.057 -0.812 2.066 186LYP NZ 2651 0.887 -0.929 2.033 186LYP HZ1 2652 0.901 -0.932 1.934 186LYP HZ2 2653 0.928 -1.010 2.075 186LYP HZ3 2654 0.789 -0.926 2.055 186LYP C 2655 0.709 -0.248 2.102 186LYP O 2656 0.633 -0.214 2.008 187LEU N 2657 0.758 -0.168 2.195 187LEU H 2658 0.813 -0.203 2.271 187LEU CA 2659 0.729 -0.023 2.183 187LEU HA 2660 0.623 -0.015 2.164 187LEU CB 2661 0.766 0.051 2.314 187LEU HB1 2662 0.872 0.044 2.328 187LEU HB2 2663 0.717 0.001 2.395 187LEU CG 2664 0.726 0.203 2.320 187LEU HG 2665 0.763 0.252 2.232 187LEU CD1 2666 0.574 0.225 2.316 187LEU HD11 2667 0.530 0.176 2.401 187LEU HD12 2668 0.554 0.330 2.320 187LEU HD13 2669 0.535 0.184 2.225 187LEU CD2 2670 0.789 0.264 2.447 187LEU HD21 2671 0.896 0.253 2.441 187LEU HD22 2672 0.763 0.368 2.453 187LEU HD23 2673 0.752 0.212 2.533 187LEU C 2674 0.804 0.044 2.067 187LEU O 2675 0.926 0.068 2.079 188GLN N 2676 0.736 0.073 1.961 188GLN H 2677 0.639 0.050 1.954 188GLN CA 2678 0.805 0.142 1.849 188GLN HA 2679 0.909 0.129 1.873 188GLN CB 2680 0.773 0.077 1.714 188GLN HB1 2681 0.823 0.131 1.635 188GLN HB2 2682 0.667 0.081 1.697 188GLN CG 2683 0.821 -0.073 1.712 188GLN HG1 2684 0.764 -0.126 1.637 188GLN HG2 2685 0.801 -0.116 1.808 188GLN CD 2686 0.970 -0.088 1.680 188GLN OE1 2687 1.016 -0.204 1.658 188GLN NE2 2688 1.033 0.015 1.630 188GLN HE21 2689 1.130 0.008 1.609 188GLN HE22 2690 0.984 0.100 1.614 188GLN C 2691 0.788 0.295 1.839 188GLN O 2692 0.873 0.363 1.776 189GLY N 2693 0.681 0.348 1.897 189GLY H 2694 0.617 0.294 1.950 189GLY CA 2695 0.664 0.492 1.876 189GLY HA1 2696 0.596 0.509 1.794 189GLY HA2 2697 0.758 0.536 1.853 189GLY C 2698 0.607 0.554 2.003 189GLY O 2699 0.549 0.483 2.091 190ILE N 2700 0.604 0.687 2.001 190ILE H 2701 0.652 0.734 1.927 190ILE CA 2702 0.534 0.768 2.101 190ILE HA 2703 0.471 0.705 2.160 190ILE CB 2704 0.640 0.839 2.192 190ILE HB 2705 0.701 0.902 2.132 190ILE CG2 2706 0.573 0.934 2.296 190ILE HG21 2707 0.507 0.878 2.359 190ILE HG22 2708 0.650 0.980 2.356 190ILE HG23 2709 0.518 1.010 2.244 190ILE CG1 2710 0.732 0.733 2.257 190ILE HG11 2711 0.776 0.673 2.180 190ILE HG12 2712 0.674 0.670 2.322 190ILE CD 2713 0.843 0.798 2.337 190ILE HD1 2714 0.799 0.858 2.415 190ILE HD2 2715 0.905 0.722 2.380 190ILE HD3 2716 0.901 0.860 2.272 190ILE C 2717 0.453 0.873 2.029 190ILE O 2718 0.506 0.936 1.934 191VAL N 2719 0.330 0.889 2.068 191VAL H 2720 0.294 0.834 2.143 191VAL CA 2721 0.240 0.989 2.000 191VAL HA 2722 0.237 0.964 1.896 191VAL CB 2723 0.100 0.984 2.063 191VAL HB 2724 0.108 1.010 2.167 191VAL CG1 2725 0.007 1.090 1.995 191VAL HG11 2726 0.000 1.067 1.890 191VAL HG12 2727 -0.090 1.085 2.040 191VAL HG13 2728 0.050 1.187 2.009 191VAL CG2 2729 0.041 0.839 2.064 191VAL HG21 2730 0.107 0.775 2.121 191VAL HG22 2731 -0.056 0.841 2.109 191VAL HG23 2732 0.034 0.803 1.963 191VAL C 2733 0.294 1.132 2.018 191VAL O 2734 0.315 1.174 2.136 192SER N 2735 0.332 1.196 1.906 192SER H 2736 0.308 1.158 1.817 192SER CA 2737 0.410 1.321 1.915 192SER HA 2738 0.427 1.344 2.019 192SER CB 2739 0.547 1.300 1.847 192SER HB1 2740 0.532 1.271 1.745 192SER HB2 2741 0.601 1.223 1.898 192SER OG 2742 0.621 1.422 1.852 192SER HG 2743 0.634 1.448 1.943 192SER C 2744 0.334 1.441 1.858 192SER O 2745 0.297 1.536 1.932 193TRP N 2746 0.305 1.439 1.727 193TRP H 2747 0.331 1.360 1.671 193TRP CA 2748 0.233 1.554 1.667 193TRP HA 2749 0.155 1.581 1.735 193TRP CB 2750 0.334 1.672 1.646 193TRP HB1 2751 0.374 1.699 1.742 193TRP HB2 2752 0.279 1.756 1.607 193TRP CG 2753 0.451 1.642 1.551 193TRP CD1 2754 0.572 1.587 1.578 193TRP HD1 2755 0.601 1.550 1.674 193TRP NE1 2756 0.655 1.586 1.463 193TRP HE1 2757 0.747 1.548 1.456 193TRP CE2 2758 0.588 1.645 1.369 193TRP CZ2 2759 0.630 1.676 1.239 193TRP HZ2 2760 0.727 1.650 1.202 193TRP CH2 2761 0.536 1.743 1.161 193TRP HH2 2762 0.562 1.768 1.061 193TRP CZ3 2763 0.410 1.780 1.209 193TRP HZ3 2764 0.343 1.833 1.143 193TRP CE3 2765 0.368 1.752 1.336 193TRP HE3 2766 0.272 1.781 1.372 193TRP CD2 2767 0.459 1.682 1.416 193TRP C 2768 0.165 1.520 1.534 193TRP O 2769 0.168 1.404 1.487 194GLY N 2770 0.098 1.622 1.481 194GLY H 2771 0.091 1.708 1.530 194GLY CA 2772 0.032 1.606 1.350 194GLY HA1 2773 -0.040 1.527 1.354 194GLY HA2 2774 0.105 1.583 1.275 194GLY C 2775 -0.036 1.738 1.319 194GLY O 2776 -0.043 1.824 1.412 195SER N 2777 -0.078 1.753 1.195 195SER H 2778 -0.060 1.683 1.127 195SER CA 2779 -0.152 1.876 1.158 195SER HA 2780 -0.120 1.955 1.223 195SER CB 2781 -0.119 1.921 1.012 195SER HB1 2782 -0.139 1.842 0.944 195SER HB2 2783 -0.015 1.948 1.005 195SER OG 2784 -0.200 2.035 0.979 195SER HG 2785 -0.181 2.106 1.041 195SER C 2786 -0.302 1.857 1.180 195SER O 2787 -0.367 1.783 1.100 196GLY N 2788 -0.360 1.908 1.287 196GLY H 2789 -0.309 1.967 1.349 196GLY CA 2790 -0.503 1.875 1.311 196GLY HA1 2791 -0.559 1.891 1.221 196GLY HA2 2792 -0.542 1.939 1.388 196GLY C 2793 -0.516 1.728 1.355 196GLY O 2794 -0.413 1.663 1.386 197CYS2 N 2795 -0.627 1.663 1.332 197CYS2 H 2796 -0.710 1.710 1.301 197CYS2 CA 2797 -0.626 1.516 1.354 197CYS2 HA 2798 -0.525 1.480 1.352 197CYS2 CB 2799 -0.695 1.487 1.489 197CYS2 HB1 2800 -0.692 1.381 1.505 197CYS2 HB2 2801 -0.798 1.518 1.481 197CYS2 SG 2802 -0.622 1.569 1.636 197CYS2 C 2803 -0.709 1.448 1.246 197CYS2 O 2804 -0.822 1.497 1.220 198ALA N 2805 -0.665 1.336 1.196 198ALA H 2806 -0.573 1.305 1.218 198ALA CA 2807 -0.750 1.256 1.106 198ALA HA 2808 -0.691 1.170 1.081 198ALA CB 2809 -0.880 1.205 1.175 198ALA HB1 2810 -0.937 1.290 1.208 198ALA HB2 2811 -0.937 1.148 1.105 198ALA HB3 2812 -0.853 1.144 1.259 198ALA C 2813 -0.785 1.331 0.976 198ALA O 2814 -0.883 1.293 0.906 199GLN N 2815 -0.710 1.439 0.947 199GLN H 2816 -0.639 1.469 1.011 199GLN CA 2817 -0.730 1.515 0.821 199GLN HA 2818 -0.835 1.524 0.798 199GLN CB 2819 -0.674 1.664 0.837 199GLN HB1 2820 -0.641 1.697 0.741 199GLN HB2 2821 -0.591 1.661 0.904 199GLN CG 2822 -0.777 1.773 0.893 199GLN HG1 2823 -0.817 1.827 0.809 199GLN HG2 2824 -0.723 1.840 0.956 199GLN CD 2825 -0.896 1.717 0.975 199GLN OE1 2826 -0.992 1.662 0.914 199GLN NE2 2827 -0.900 1.753 1.102 199GLN HE21 2828 -0.974 1.720 1.161 199GLN HE22 2829 -0.829 1.812 1.140 199GLN C 2830 -0.663 1.437 0.705 199GLN O 2831 -0.555 1.373 0.721 200LYP N 2832 -0.720 1.445 0.587 200LYP H 2833 -0.807 1.494 0.580 200LYP CA 2834 -0.662 1.384 0.465 200LYP HA 2835 -0.658 1.278 0.481 200LYP CB 2836 -0.749 1.425 0.345 200LYP HB1 2837 -0.742 1.531 0.332 200LYP HB2 2838 -0.851 1.400 0.366 200LYP CG 2839 -0.707 1.357 0.215 200LYP HG1 2840 -0.721 1.251 0.224 200LYP HG2 2841 -0.603 1.376 0.197 200LYP CD 2842 -0.790 1.410 0.097 200LYP HD1 2843 -0.777 1.516 0.091 200LYP HD2 2844 -0.893 1.388 0.115 200LYP CE 2845 -0.749 1.347 -0.037 200LYP HE1 2846 -0.765 1.241 -0.034 200LYP HE2 2847 -0.645 1.365 -0.055 200LYP NZ 2848 -0.829 1.406 -0.144 200LYP HZ1 2849 -0.813 1.505 -0.146 200LYP HZ2 2850 -0.803 1.366 -0.231 200LYP HZ3 2851 -0.926 1.388 -0.126 200LYP C 2852 -0.522 1.437 0.436 200LYP O 2853 -0.495 1.558 0.456 201ASN N 2854 -0.432 1.346 0.405 201ASN H 2855 -0.463 1.251 0.403 201ASN CA 2856 -0.291 1.369 0.374 201ASN HA 2857 -0.247 1.273 0.357 201ASN CB 2858 -0.274 1.447 0.242 201ASN HB1 2859 -0.172 1.480 0.232 201ASN HB2 2860 -0.338 1.533 0.242 201ASN CG 2861 -0.310 1.354 0.124 201ASN OD1 2862 -0.237 1.255 0.100 201ASN ND2 2863 -0.391 1.409 0.035 201ASN HD21 2864 -0.420 1.356 -0.045 201ASN HD22 2865 -0.423 1.503 0.047 201ASN C 2866 -0.211 1.425 0.491 201ASN O 2867 -0.099 1.479 0.468 202LYP N 2868 -0.264 1.414 0.612 202LYP H 2869 -0.354 1.373 0.625 202LYP CA 2870 -0.187 1.465 0.727 202LYP HA 2871 -0.088 1.484 0.691 202LYP CB 2872 -0.247 1.597 0.783 202LYP HB1 2873 -0.199 1.619 0.877 202LYP HB2 2874 -0.352 1.583 0.800 202LYP CG 2875 -0.227 1.717 0.686 202LYP HG1 2876 -0.272 1.804 0.728 202LYP HG2 2877 -0.274 1.695 0.592 202LYP CD 2878 -0.075 1.746 0.660 202LYP HD1 2879 -0.034 1.667 0.600 202LYP HD2 2880 -0.024 1.750 0.754 202LYP CE 2881 -0.054 1.882 0.585 202LYP HE1 2882 -0.106 1.959 0.638 202LYP HE2 2883 -0.095 1.873 0.486 202LYP NZ 2884 0.089 1.921 0.573 202LYP HZ1 2885 0.138 1.851 0.523 202LYP HZ2 2886 0.095 2.009 0.525 202LYP HZ3 2887 0.128 1.931 0.665 202LYP C 2888 -0.184 1.361 0.840 202LYP O 2889 -0.260 1.372 0.938 203PRO N 2890 -0.106 1.256 0.819 203PRO CD 2891 -0.004 1.240 0.713 203PRO HD1 2892 -0.051 1.245 0.616 203PRO HD2 2893 0.069 1.317 0.720 203PRO CG 2894 0.060 1.102 0.734 203PRO HG1 2895 0.049 1.042 0.646 203PRO HG2 2896 0.165 1.113 0.754 203PRO CB 2897 -0.011 1.036 0.854 203PRO HB1 2898 -0.070 0.952 0.820 203PRO HB2 2899 0.061 1.001 0.925 203PRO CA 2900 -0.102 1.143 0.917 203PRO HA 2901 -0.201 1.108 0.936 203PRO C 2902 -0.045 1.186 1.055 203PRO O 2903 0.024 1.292 1.067 204GLY N 2904 -0.052 1.095 1.154 204GLY H 2905 -0.104 1.011 1.141 204GLY CA 2906 0.015 1.122 1.279 204GLY HA1 2907 -0.025 1.057 1.355 204GLY HA2 2908 -0.002 1.224 1.308 204GLY C 2909 0.165 1.098 1.268 204GLY O 2910 0.207 1.019 1.180 205VAL N 2911 0.243 1.180 1.344 205VAL H 2912 0.198 1.250 1.398 205VAL CA 2913 0.388 1.173 1.350 205VAL HA 2914 0.419 1.099 1.279 205VAL CB 2915 0.454 1.311 1.313 205VAL HB 2916 0.428 1.381 1.389 205VAL CG1 2917 0.607 1.291 1.305 205VAL HG11 2918 0.629 1.217 1.229 205VAL HG12 2919 0.653 1.384 1.280 205VAL HG13 2920 0.643 1.257 1.400 205VAL CG2 2921 0.402 1.369 1.179 205VAL HG21 2922 0.296 1.384 1.186 205VAL HG22 2923 0.451 1.462 1.160 205VAL HG23 2924 0.423 1.299 1.100 205VAL C 2925 0.434 1.132 1.491 205VAL O 2926 0.370 1.174 1.592 206TYR N 2927 0.522 1.032 1.491 206TYR H 2928 0.566 1.008 1.405 206TYR CA 2929 0.558 0.953 1.612 206TYR HA 2930 0.511 0.999 1.697 206TYR CB 2931 0.504 0.804 1.599 206TYR HB1 2932 0.530 0.749 1.687 206TYR HB2 2933 0.549 0.758 1.514 206TYR CG 2934 0.349 0.805 1.582 206TYR CD1 2935 0.270 0.804 1.694 206TYR HD1 2936 0.316 0.800 1.791 206TYR CE1 2937 0.132 0.807 1.686 206TYR HE1 2938 0.071 0.802 1.775 206TYR CZ 2939 0.072 0.816 1.560 206TYR OH 2940 -0.068 0.815 1.553 206TYR HH 2941 -0.095 0.822 1.461 206TYR CE2 2942 0.150 0.820 1.444 206TYR HE2 2943 0.103 0.827 1.348 206TYR CD2 2944 0.291 0.815 1.456 206TYR HD2 2945 0.352 0.818 1.368 206TYR C 2946 0.708 0.956 1.638 206TYR O 2947 0.790 0.952 1.542 207THR N 2948 0.745 0.971 1.762 207THR H 2949 0.677 0.992 1.833 207THR CA 2950 0.887 0.957 1.798 207THR HA 2951 0.945 1.024 1.737 207THR CB 2952 0.911 0.995 1.949 207THR HB 2953 0.868 0.919 2.011 207THR CG2 2954 1.062 0.999 1.982 207THR HG21 2955 1.109 1.072 1.920 207THR HG22 2956 1.074 1.026 2.086 207THR HG23 2957 1.104 0.903 1.964 207THR OG1 2958 0.845 1.122 1.981 207THR HG1 2959 0.861 1.143 2.073 207THR C 2960 0.933 0.811 1.772 207THR O 2961 0.859 0.717 1.806 208LYP N 2962 1.044 0.798 1.707 208LYP H 2963 1.097 0.880 1.686 208LYP CA 2964 1.099 0.667 1.663 208LYP HA 2965 1.019 0.599 1.641 208LYP CB 2966 1.186 0.692 1.540 208LYP HB1 2967 1.277 0.739 1.571 208LYP HB2 2968 1.133 0.759 1.474 208LYP CG 2969 1.219 0.563 1.464 208LYP HG1 2970 1.129 0.508 1.445 208LYP HG2 2971 1.285 0.502 1.523 208LYP CD 2972 1.287 0.602 1.332 208LYP HD1 2973 1.392 0.615 1.349 208LYP HD2 2974 1.246 0.695 1.298 208LYP CE 2975 1.266 0.496 1.224 208LYP HE1 2976 1.161 0.483 1.207 208LYP HE2 2977 1.308 0.403 1.257 208LYP NZ 2978 1.332 0.537 1.100 208LYP HZ1 2979 1.430 0.549 1.117 208LYP HZ2 2980 1.317 0.467 1.031 208LYP HZ3 2981 1.292 0.624 1.070 208LYP C 2982 1.187 0.609 1.775 208LYP O 2983 1.308 0.641 1.788 209VAL N 2984 1.119 0.542 1.867 209VAL H 2985 1.021 0.528 1.853 209VAL CA 2986 1.182 0.489 1.988 209VAL HA 2987 1.218 0.574 2.043 209VAL CB 2988 1.078 0.410 2.069 209VAL HB 2989 1.041 0.336 2.002 209VAL CG1 2990 1.144 0.341 2.192 209VAL HG11 2991 1.188 0.416 2.255 209VAL HG12 2992 1.069 0.287 2.246 209VAL HG13 2993 1.220 0.273 2.157 209VAL CG2 2994 0.953 0.492 2.112 209VAL HG21 2995 0.903 0.529 2.025 209VAL HG22 2996 0.887 0.429 2.168 209VAL HG23 2997 0.984 0.575 2.174 209VAL C 2998 1.307 0.402 1.963 209VAL O 2999 1.400 0.403 2.047 210CYS2 N 3000 1.314 0.327 1.851 210CYS2 H 3001 1.239 0.329 1.784 210CYS2 CA 3002 1.432 0.240 1.827 210CYS2 HA 3003 1.436 0.175 1.912 210CYS2 CB 3004 1.418 0.154 1.699 210CYS2 HB1 3005 1.331 0.092 1.707 210CYS2 HB2 3006 1.504 0.090 1.690 210CYS2 SG 3007 1.405 0.259 1.551 210CYS2 C 3008 1.561 0.320 1.820 210CYS2 O 3009 1.666 0.264 1.850 211ASN N 3010 1.558 0.453 1.799 211ASN H 3011 1.469 0.496 1.784 211ASN CA 3012 1.676 0.539 1.798 211ASN HA 3013 1.754 0.482 1.752 211ASN CB 3014 1.641 0.668 1.722 211ASN HB1 3015 1.714 0.743 1.745 211ASN HB2 3016 1.544 0.702 1.755 211ASN CG 3017 1.638 0.646 1.570 211ASN OD1 3018 1.633 0.532 1.518 211ASN ND2 3019 1.606 0.757 1.504 211ASN HD21 3020 1.601 0.755 1.404 211ASN HD22 3021 1.588 0.841 1.554 211ASN C 3022 1.727 0.580 1.938 211ASN O 3023 1.847 0.620 1.949 212TYR N 3024 1.643 0.558 2.037 212TYR H 3025 1.557 0.510 2.019 212TYR CA 3026 1.673 0.601 2.176 212TYR HA 3027 1.763 0.658 2.169 212TYR CB 3028 1.553 0.683 2.229 212TYR HB1 3029 1.573 0.716 2.329 212TYR HB2 3030 1.465 0.622 2.230 212TYR CG 3031 1.530 0.805 2.138 212TYR CD1 3032 1.613 0.915 2.153 212TYR HD1 3033 1.688 0.916 2.230 212TYR CE1 3034 1.598 1.024 2.069 212TYR HE1 3035 1.660 1.110 2.080 212TYR CZ 3036 1.499 1.021 1.968 212TYR OH 3037 1.484 1.135 1.883 212TYR HH 3038 1.414 1.117 1.820 212TYR CE2 3039 1.416 0.910 1.953 212TYR HE2 3040 1.341 0.908 1.876 212TYR CD2 3041 1.431 0.801 2.039 212TYR HD2 3042 1.367 0.716 2.030 212TYR C 3043 1.704 0.489 2.278 212TYR O 3044 1.710 0.512 2.400 213VAL N 3045 1.710 0.366 2.230 213VAL H 3046 1.707 0.352 2.131 213VAL CA 3047 1.722 0.251 2.321 213VAL HA 3048 1.639 0.251 2.388 213VAL CB 3049 1.714 0.117 2.240 213VAL HB 3050 1.783 0.120 2.157 213VAL CG1 3051 1.752 0.000 2.333 213VAL HG11 3052 1.683 -0.002 2.415 213VAL HG12 3053 1.746 -0.092 2.278 213VAL HG13 3054 1.851 0.015 2.370 213VAL CG2 3055 1.571 0.099 2.181 213VAL HG21 3056 1.548 0.181 2.117 213VAL HG22 3057 1.567 0.007 2.126 213VAL HG23 3058 1.500 0.095 2.262 213VAL C 3059 1.843 0.262 2.415 213VAL O 3060 1.830 0.235 2.538 214SER N 3061 1.954 0.297 2.356 214SER H 3062 1.952 0.320 2.259 214SER CA 3063 2.081 0.305 2.425 214SER HA 3064 2.104 0.211 2.471 214SER CB 3065 2.196 0.336 2.323 214SER HB1 3066 2.289 0.341 2.375 214SER HB2 3067 2.177 0.431 2.276 214SER OG 3068 2.201 0.234 2.224 214SER HG 3069 2.117 0.230 2.177 214SER C 3070 2.070 0.414 2.533 214SER O 3071 2.119 0.397 2.648 215TRP N 3072 2.003 0.522 2.491 215TRP H 3073 1.965 0.526 2.399 215TRP CA 3074 1.984 0.638 2.585 215TRP HA 3075 2.081 0.662 2.625 215TRP CB 3076 1.932 0.763 2.512 215TRP HB1 3077 1.845 0.737 2.455 215TRP HB2 3078 2.007 0.799 2.445 215TRP CG 3079 1.895 0.874 2.614 215TRP CD1 3080 1.979 0.956 2.687 215TRP HD1 3081 2.086 0.953 2.684 215TRP NE1 3082 1.900 1.045 2.767 215TRP HE1 3083 1.936 1.114 2.829 215TRP CE2 3084 1.776 1.020 2.745 215TRP CZ2 3085 1.664 1.081 2.803 215TRP HZ2 3086 1.675 1.159 2.875 215TRP CH2 3087 1.538 1.035 2.762 215TRP HH2 3088 1.450 1.080 2.804 215TRP CZ3 3089 1.525 0.932 2.667 215TRP HZ3 3090 1.427 0.900 2.638 215TRP CE3 3091 1.639 0.868 2.608 215TRP HE3 3092 1.629 0.790 2.536 215TRP CD2 3093 1.764 0.913 2.650 215TRP C 3094 1.891 0.601 2.701 215TRP O 3095 1.927 0.621 2.819 216ILE N 3096 1.785 0.530 2.669 216ILE H 3097 1.765 0.511 2.573 216ILE CA 3098 1.697 0.479 2.775 216ILE HA 3099 1.664 0.564 2.832 216ILE CB 3100 1.573 0.408 2.714 216ILE HB 3101 1.609 0.331 2.647 216ILE CG2 3102 1.487 0.335 2.819 216ILE HG21 3103 1.452 0.406 2.891 216ILE HG22 3104 1.404 0.288 2.770 216ILE HG23 3105 1.547 0.260 2.868 216ILE CG1 3106 1.489 0.512 2.636 216ILE HG11 3107 1.552 0.558 2.562 216ILE HG12 3108 1.456 0.587 2.705 216ILE CD 3109 1.366 0.452 2.566 216ILE HD1 3110 1.302 0.407 2.640 216ILE HD2 3111 1.313 0.531 2.515 216ILE HD3 3112 1.398 0.378 2.496 216ILE C 3113 1.772 0.383 2.868 216ILE O 3114 1.765 0.398 2.992 217LYP N 3115 1.834 0.282 2.811 217LYP H 3116 1.836 0.272 2.712 217LYP CA 3117 1.901 0.184 2.898 217LYP HA 3118 1.827 0.145 2.966 217LYP CB 3119 1.958 0.075 2.806 217LYP HB1 3120 2.019 0.009 2.865 217LYP HB2 3121 2.019 0.120 2.731 217LYP CG 3122 1.845 -0.006 2.740 217LYP HG1 3123 1.804 0.051 2.658 217LYP HG2 3124 1.768 -0.025 2.812 217LYP CD 3125 1.897 -0.141 2.685 217LYP HD1 3126 1.828 -0.178 2.612 217LYP HD2 3127 1.902 -0.211 2.767 217LYP CE 3128 2.036 -0.130 2.620 217LYP HE1 3129 2.070 -0.228 2.592 217LYP HE2 3130 2.105 -0.089 2.692 217LYP NZ 3131 2.034 -0.045 2.501 217LYP HZ1 3132 2.004 0.047 2.527 217LYP HZ2 3133 2.127 -0.040 2.463 217LYP HZ3 3134 1.971 -0.083 2.434 217LYP C 3135 2.006 0.241 2.995 217LYP O 3136 2.006 0.216 3.121 218GLN N 3137 2.088 0.328 2.937 218GLN H 3138 2.078 0.345 2.839 218GLN CA 3139 2.194 0.401 3.011 218GLN HA 3140 2.263 0.330 3.051 218GLN CB 3141 2.267 0.499 2.913 218GLN HB1 3142 2.192 0.555 2.860 218GLN HB2 3143 2.323 0.441 2.843 218GLN CG 3144 2.364 0.600 2.979 218GLN HG1 3145 2.309 0.660 3.049 218GLN HG2 3146 2.405 0.664 2.904 218GLN CD 3147 2.477 0.528 3.052 218GLN OE1 3148 2.541 0.437 2.994 218GLN NE2 3149 2.477 0.547 3.182 218GLN HE21 3150 2.548 0.504 3.239 218GLN HE22 3151 2.407 0.604 3.225 218GLN C 3152 2.135 0.483 3.127 218GLN O 3153 2.195 0.489 3.238 219THR N 3154 2.027 0.555 3.089 219THR H 3155 1.991 0.548 2.996 219THR CA 3156 1.964 0.645 3.185 219THR HA 3157 2.042 0.711 3.217 219THR CB 3158 1.856 0.741 3.126 219THR HB 3159 1.772 0.683 3.095 219THR CG2 3160 1.809 0.846 3.229 219THR HG21 3161 1.893 0.905 3.260 219THR HG22 3162 1.735 0.909 3.183 219THR HG23 3163 1.766 0.796 3.313 219THR OG1 3164 1.920 0.816 3.021 219THR HG1 3165 1.951 0.755 2.954 219THR C 3166 1.913 0.568 3.305 219THR O 3167 1.940 0.611 3.421 220ILE N 3168 1.839 0.465 3.273 220ILE H 3169 1.829 0.437 3.177 220ILE CA 3170 1.771 0.391 3.378 220ILE HA 3171 1.714 0.462 3.436 220ILE CB 3172 1.676 0.281 3.319 220ILE HB 3173 1.721 0.248 3.228 220ILE CG2 3174 1.659 0.164 3.419 220ILE HG21 3175 1.616 0.202 3.510 220ILE HG22 3176 1.594 0.091 3.376 220ILE HG23 3177 1.755 0.121 3.439 220ILE CG1 3178 1.539 0.337 3.293 220ILE HG11 3179 1.505 0.388 3.381 220ILE HG12 3180 1.472 0.256 3.272 220ILE CD 3181 1.538 0.434 3.177 220ILE HD1 3182 1.571 0.383 3.088 220ILE HD2 3183 1.438 0.471 3.163 220ILE HD3 3184 1.604 0.516 3.198 220ILE C 3185 1.875 0.320 3.464 220ILE O 3186 1.854 0.306 3.589 221ALA N 3187 1.985 0.282 3.404 221ALA H 3188 1.997 0.299 3.306 221ALA CA 3189 2.092 0.212 3.480 221ALA HA 3190 2.045 0.132 3.533 221ALA CB 3191 2.200 0.163 3.382 221ALA HB1 3192 2.241 0.247 3.330 221ALA HB2 3193 2.277 0.113 3.438 221ALA HB3 3194 2.155 0.095 3.312 221ALA C 3195 2.163 0.304 3.581 221ALA O 3196 2.225 0.252 3.679 222SER N 3197 2.152 0.436 3.560 222SER H 3198 2.091 0.470 3.489 222SER CA 3199 2.229 0.531 3.642 222SER HA 3200 2.285 0.470 3.710 222SER CB 3201 2.326 0.614 3.555 222SER HB1 3202 2.396 0.665 3.619 222SER HB2 3203 2.270 0.687 3.499 222SER OG 3204 2.397 0.528 3.465 222SER HG 3205 2.334 0.483 3.409 222SER C 3206 2.142 0.623 3.725 222SER O 3207 2.191 0.721 3.787 223CASN N 3208 2.014 0.601 3.723 223CASN H 3209 1.977 0.525 3.670 223CASN CA 3210 1.925 0.687 3.796 223CASN HA 3211 1.980 0.742 3.870 223CASN CB 3212 1.855 0.779 3.694 223CASN HB1 3213 1.774 0.830 3.743 223CASN HB2 3214 1.814 0.718 3.615 223CASN CG 3215 1.951 0.882 3.633 223CASN OD1 3216 1.968 0.988 3.698 223CASN ND2 3217 2.019 0.857 3.525 223CASN HD21 3218 2.080 0.926 3.487 223CASN HD22 3219 2.009 0.769 3.479 223CASN C 3220 1.817 0.605 3.866 223CASN OC1 3221 1.733 0.669 3.934 223CASN OC2 3222 1.844 0.488 3.901 4.34170 3.89300 4.96720