REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2php_1_B DATA FIRST_RESID 238 DATA SEQUENCE SLTYINKEKV IKNLSYAIYL LKKXNFTLIP EVGSNIAESL PFPKDFKDVA DATA SEQUENCE ALTGRIIKNK LGGFYIVGDI EFGASEHIAK IILSASKFNP EIRACXNIKY DATA SEQUENCE DGGLIKLLKD KFAVSSFDRK EEPPNVSTXE WGTKIACEKF GGVPDIIYDR DATA SEQUENCE GGEGKEPXIR VLGRDAIEVV KKVEVIQKIY NTLEGH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 238 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 238 S C 0.000 174.623 174.600 0.039 0.000 1.055 238 S CA 0.000 58.220 58.200 0.033 0.000 1.107 238 S CB 0.000 63.223 63.200 0.038 0.000 0.593 239 L N 2.172 123.418 121.223 0.038 0.000 2.769 239 L HA 0.277 4.617 4.340 -0.001 0.000 0.240 239 L C 1.019 177.926 176.870 0.063 0.000 1.163 239 L CA -0.067 54.798 54.840 0.042 0.000 0.962 239 L CB -0.006 42.071 42.059 0.030 0.000 1.258 239 L HN 0.894 9.124 8.230 -0.000 0.000 0.513 240 T N -2.725 111.871 114.554 0.071 0.000 2.897 240 T HA 0.228 4.577 4.350 -0.001 0.000 0.294 240 T C -0.750 174.046 174.700 0.161 0.000 1.004 240 T CA -0.321 61.835 62.100 0.094 0.000 1.106 240 T CB 1.491 70.393 68.868 0.058 0.000 0.949 240 T HN 0.071 8.311 8.240 -0.000 0.000 0.520 241 Y N 3.382 123.695 120.300 0.021 0.000 2.356 241 Y HA 0.520 5.070 4.550 -0.001 0.000 0.334 241 Y C -0.661 175.257 175.900 0.029 0.000 0.958 241 Y CA -2.368 55.748 58.100 0.026 0.000 1.196 241 Y CB 0.488 38.961 38.460 0.020 0.000 1.137 241 Y HN 0.695 8.975 8.280 -0.000 0.000 0.485 242 I N 8.189 128.639 120.570 -0.201 0.000 2.278 242 I HA 0.119 4.289 4.170 -0.001 0.000 0.296 242 I C -0.377 175.427 176.117 -0.521 0.000 1.121 242 I CA -0.220 60.919 61.300 -0.269 0.000 1.267 242 I CB -0.336 37.606 38.000 -0.097 0.000 1.447 242 I HN 0.626 8.836 8.210 -0.000 0.000 0.509 243 N N 5.610 123.950 118.700 -0.600 0.000 2.725 243 N HA 0.322 5.061 4.740 -0.001 0.000 0.312 243 N C 0.482 175.890 175.510 -0.171 0.000 1.295 243 N CA -0.882 51.857 53.050 -0.518 0.000 0.914 243 N CB 0.632 38.772 38.487 -0.579 0.000 1.177 243 N HN 0.147 8.527 8.380 -0.000 0.000 0.601 244 K N -0.342 119.993 120.400 -0.109 0.000 2.103 244 K HA -0.182 4.137 4.320 -0.001 0.000 0.207 244 K C 1.500 178.183 176.600 0.140 0.000 1.048 244 K CA 1.433 57.754 56.287 0.058 0.000 0.930 244 K CB -0.070 32.350 32.500 -0.133 0.000 0.716 244 K HN 0.681 8.931 8.250 -0.000 0.000 0.444 245 E N 1.333 121.557 120.200 0.039 0.000 2.051 245 E HA -0.260 4.089 4.350 -0.001 0.000 0.192 245 E C 1.985 178.602 176.600 0.030 0.000 0.991 245 E CA 1.380 57.806 56.400 0.043 0.000 0.799 245 E CB 0.109 29.819 29.700 0.018 0.000 0.748 245 E HN -0.001 8.359 8.360 -0.000 0.000 0.449 246 K N 0.319 120.714 120.400 -0.008 0.000 2.032 246 K HA -0.132 4.187 4.320 -0.001 0.000 0.209 246 K C 1.940 178.548 176.600 0.012 0.000 1.048 246 K CA 1.514 57.793 56.287 -0.013 0.000 0.927 246 K CB -0.516 31.953 32.500 -0.053 0.000 0.712 246 K HN 0.057 8.307 8.250 -0.000 0.000 0.441 247 V N 1.065 121.005 119.914 0.043 0.000 2.295 247 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 247 V C 2.276 178.373 176.094 0.006 0.000 1.049 247 V CA 1.616 63.942 62.300 0.044 0.000 1.024 247 V CB -0.457 31.447 31.823 0.134 0.000 0.648 247 V HN 0.300 8.490 8.190 -0.000 0.000 0.447 248 I N -0.017 120.575 120.570 0.038 0.000 2.208 248 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 248 I C 2.418 178.545 176.117 0.017 0.000 1.097 248 I CA 1.704 63.008 61.300 0.007 0.000 1.363 248 I CB -1.165 36.871 38.000 0.061 0.000 1.051 248 I HN 0.386 8.596 8.210 -0.000 0.000 0.413 249 K N 0.418 120.834 120.400 0.027 0.000 2.097 249 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 249 K C 1.842 178.475 176.600 0.055 0.000 1.050 249 K CA 1.048 57.352 56.287 0.030 0.000 0.938 249 K CB -0.089 32.416 32.500 0.008 0.000 0.718 249 K HN 0.335 8.585 8.250 -0.000 0.000 0.442 250 N N 1.208 119.933 118.700 0.042 0.000 2.106 250 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 250 N C 1.927 177.480 175.510 0.070 0.000 1.029 250 N CA 1.004 54.094 53.050 0.066 0.000 0.848 250 N CB -0.294 38.213 38.487 0.033 0.000 1.007 250 N HN 0.098 8.478 8.380 -0.000 0.000 0.423 251 L N 0.746 121.982 121.223 0.020 0.000 2.046 251 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 251 L C 2.285 179.171 176.870 0.027 0.000 1.077 251 L CA 0.934 55.772 54.840 -0.002 0.000 0.747 251 L CB -0.363 41.665 42.059 -0.052 0.000 0.896 251 L HN 0.092 8.322 8.230 -0.000 0.000 0.432 252 S N -1.213 114.516 115.700 0.049 0.000 2.370 252 S HA -0.247 4.223 4.470 -0.001 0.000 0.226 252 S C 1.862 176.541 174.600 0.132 0.000 1.033 252 S CA 1.370 59.615 58.200 0.076 0.000 1.011 252 S CB -0.441 62.800 63.200 0.068 0.000 0.852 252 S HN 0.393 8.703 8.310 -0.000 0.000 0.457 253 Y N 2.269 122.585 120.300 0.027 0.000 2.263 253 Y HA 0.045 4.595 4.550 -0.001 0.000 0.292 253 Y C 2.376 178.338 175.900 0.103 0.000 1.130 253 Y CA 0.528 58.663 58.100 0.058 0.000 1.179 253 Y CB -0.826 37.642 38.460 0.013 0.000 0.998 253 Y HN 0.201 8.481 8.280 -0.000 0.000 0.532 254 A N 0.348 123.167 122.820 -0.002 0.000 1.940 254 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 254 A C 2.130 179.642 177.584 -0.121 0.000 1.176 254 A CA 1.902 53.881 52.037 -0.096 0.000 0.631 254 A CB -0.876 18.099 19.000 -0.042 0.000 0.814 254 A HN 0.453 8.603 8.150 -0.000 0.000 0.446 255 I N -1.685 118.858 120.570 -0.045 0.000 2.353 255 I HA -0.186 3.984 4.170 -0.001 0.000 0.248 255 I C 2.369 178.482 176.117 -0.006 0.000 1.119 255 I CA 1.344 62.634 61.300 -0.018 0.000 1.417 255 I CB -1.527 36.491 38.000 0.031 0.000 1.078 255 I HN 0.582 8.792 8.210 -0.000 0.000 0.421 256 Y N 1.861 122.083 120.300 -0.131 0.000 2.207 256 Y HA -0.204 4.345 4.550 -0.001 0.000 0.287 256 Y C 2.423 178.208 175.900 -0.191 0.000 1.156 256 Y CA 1.644 59.665 58.100 -0.131 0.000 1.182 256 Y CB -0.277 38.113 38.460 -0.117 0.000 0.979 256 Y HN 0.029 8.309 8.280 -0.000 0.000 0.521 257 L N -0.925 120.126 121.223 -0.287 0.000 2.109 257 L HA -0.185 4.155 4.340 -0.001 0.000 0.207 257 L C 2.373 179.114 176.870 -0.216 0.000 1.086 257 L CA 0.363 55.011 54.840 -0.319 0.000 0.760 257 L CB -0.569 41.293 42.059 -0.328 0.000 0.910 257 L HN 0.278 8.508 8.230 -0.000 0.000 0.437 258 L N 0.558 121.679 121.223 -0.170 0.000 2.046 258 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 258 L C 2.408 179.332 176.870 0.089 0.000 1.077 258 L CA 1.866 56.632 54.840 -0.123 0.000 0.747 258 L CB -0.758 41.200 42.059 -0.169 0.000 0.896 258 L HN 0.268 8.498 8.230 -0.000 0.000 0.432 259 K N -0.553 119.882 120.400 0.059 0.000 2.360 259 K HA -0.122 4.197 4.320 -0.001 0.000 0.201 259 K C 0.821 177.413 176.600 -0.014 0.000 1.046 259 K CA 0.679 57.007 56.287 0.069 0.000 0.945 259 K CB 0.123 32.576 32.500 -0.078 0.000 0.750 259 K HN 0.356 8.606 8.250 -0.000 0.000 0.464 263 F N 2.376 122.282 119.950 -0.073 0.000 2.494 263 F HA 0.320 4.847 4.527 -0.000 0.000 0.369 263 F C 1.422 177.075 175.800 -0.244 0.000 1.098 263 F CA 0.660 58.488 58.000 -0.286 0.000 1.154 263 F CB 0.525 39.130 39.000 -0.659 0.000 1.103 263 F HN 0.364 8.664 8.300 -0.000 0.000 0.549 264 T N 2.718 117.013 114.554 -0.432 0.000 3.004 264 T HA 0.222 4.572 4.350 -0.001 0.000 0.266 264 T C 0.944 175.299 174.700 -0.575 0.000 0.986 264 T CA -0.020 61.847 62.100 -0.389 0.000 0.902 264 T CB -0.439 68.401 68.868 -0.047 0.000 1.118 264 T HN 0.485 8.725 8.240 -0.000 0.000 0.522 265 L N 2.392 123.105 121.223 -0.850 0.000 2.803 265 L HA 0.420 4.760 4.340 -0.001 0.000 0.241 265 L C -0.404 176.001 176.870 -0.775 0.000 1.404 265 L CA -0.097 54.297 54.840 -0.743 0.000 1.211 265 L CB -0.650 41.123 42.059 -0.476 0.000 1.585 265 L HN 0.314 8.544 8.230 -0.000 0.000 0.430 266 I N 2.464 122.606 120.570 -0.713 0.000 2.304 266 I HA 0.276 4.446 4.170 -0.001 0.000 0.291 266 I C -1.765 174.224 176.117 -0.213 0.000 1.018 266 I CA -1.931 59.097 61.300 -0.453 0.000 1.260 266 I CB 1.312 39.068 38.000 -0.407 0.000 1.390 266 I HN 0.078 8.288 8.210 -0.000 0.000 0.475 267 P HA 0.088 4.508 4.420 -0.000 0.000 0.274 267 P C 0.136 177.413 177.300 -0.039 0.000 1.256 267 P CA -0.210 62.855 63.100 -0.060 0.000 0.795 267 P CB 1.109 32.796 31.700 -0.022 0.000 1.038 268 E N 0.349 120.535 120.200 -0.023 0.000 2.204 268 E HA -0.084 4.265 4.350 -0.001 0.000 0.195 268 E C 1.511 178.106 176.600 -0.009 0.000 0.990 268 E CA 1.252 57.644 56.400 -0.013 0.000 0.821 268 E CB -0.649 29.047 29.700 -0.007 0.000 0.750 268 E HN 0.368 8.728 8.360 -0.000 0.000 0.477 269 V N -2.691 117.215 119.914 -0.012 0.000 3.623 269 V HA 0.359 4.479 4.120 -0.001 0.000 0.271 269 V C 0.933 177.023 176.094 -0.007 0.000 1.248 269 V CA 0.384 62.674 62.300 -0.018 0.000 1.156 269 V CB -0.807 30.993 31.823 -0.038 0.000 0.870 269 V HN 0.159 8.349 8.190 -0.000 0.000 0.453 270 G N 0.156 108.959 108.800 0.004 0.000 2.758 270 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.686 270 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.686 270 G C -0.438 174.485 174.900 0.039 0.000 1.389 270 G CA -0.207 44.909 45.100 0.027 0.000 0.845 270 G HN 0.795 9.085 8.290 -0.000 0.000 0.572 271 S N 0.525 116.270 115.700 0.075 0.000 2.638 271 S HA 0.834 5.304 4.470 -0.001 0.000 0.298 271 S C 0.143 174.788 174.600 0.075 0.000 1.111 271 S CA -0.746 57.510 58.200 0.093 0.000 1.027 271 S CB 1.887 65.193 63.200 0.176 0.000 1.064 271 S HN 0.940 9.250 8.310 -0.000 0.000 0.525 272 N N 0.519 119.252 118.700 0.056 0.000 2.416 272 N HA 0.555 5.295 4.740 -0.001 0.000 0.276 272 N C -1.884 173.631 175.510 0.008 0.000 1.261 272 N CA -0.593 52.479 53.050 0.037 0.000 0.790 272 N CB 1.703 40.218 38.487 0.047 0.000 1.554 272 N HN 0.700 9.080 8.380 -0.000 0.000 0.481 273 I N 0.999 121.561 120.570 -0.013 0.000 2.533 273 I HA 0.794 4.964 4.170 -0.001 0.000 0.290 273 I C -1.199 174.896 176.117 -0.036 0.000 1.056 273 I CA -0.527 60.751 61.300 -0.038 0.000 1.057 273 I CB 1.493 39.451 38.000 -0.070 0.000 1.240 273 I HN 0.658 8.868 8.210 -0.000 0.000 0.423 274 A N 6.003 128.801 122.820 -0.037 0.000 2.515 274 A HA 0.806 5.125 4.320 -0.001 0.000 0.296 274 A C -1.350 176.203 177.584 -0.051 0.000 1.094 274 A CA -0.512 51.497 52.037 -0.046 0.000 0.718 274 A CB 1.949 20.938 19.000 -0.019 0.000 1.307 274 A HN 0.737 8.887 8.150 -0.000 0.000 0.408 275 E N 0.194 120.351 120.200 -0.071 0.000 2.343 275 E HA 0.561 4.910 4.350 -0.001 0.000 0.278 275 E C -0.742 175.837 176.600 -0.034 0.000 0.910 275 E CA -0.381 55.989 56.400 -0.050 0.000 0.757 275 E CB 1.915 31.583 29.700 -0.053 0.000 1.218 275 E HN 0.887 9.247 8.360 -0.000 0.000 0.435 276 S N 3.281 118.988 115.700 0.012 0.000 2.704 276 S HA 0.600 5.069 4.470 -0.001 0.000 0.305 276 S C -0.039 174.610 174.600 0.082 0.000 1.107 276 S CA -0.860 57.385 58.200 0.075 0.000 0.993 276 S CB 0.881 64.116 63.200 0.057 0.000 1.110 276 S HN 0.482 8.792 8.310 -0.000 0.000 0.534 277 L N 1.150 122.450 121.223 0.128 0.000 2.466 277 L HA 0.430 4.769 4.340 -0.001 0.000 0.257 277 L C -2.229 174.651 176.870 0.017 0.000 1.189 277 L CA -2.327 52.555 54.840 0.070 0.000 0.813 277 L CB 0.286 42.380 42.059 0.058 0.000 1.118 277 L HN 0.476 8.706 8.230 -0.000 0.000 0.471 278 P HA 0.034 4.454 4.420 -0.000 0.000 0.269 278 P C -0.776 176.525 177.300 0.002 0.000 1.209 278 P CA -0.091 62.944 63.100 -0.108 0.000 0.776 278 P CB 0.143 31.827 31.700 -0.027 0.000 0.876 279 F N 0.080 120.050 119.950 0.033 0.000 2.866 279 F HA -0.165 4.362 4.527 -0.001 0.000 0.254 279 F C -1.399 174.417 175.800 0.026 0.000 1.009 279 F CA -0.227 57.790 58.000 0.028 0.000 0.907 279 F CB -2.325 36.690 39.000 0.023 0.000 0.859 279 F HN 0.287 8.587 8.300 -0.000 0.000 0.842 280 P HA 0.030 4.450 4.420 -0.000 0.000 0.268 280 P C 0.592 177.948 177.300 0.092 0.000 1.204 280 P CA -0.077 63.078 63.100 0.091 0.000 0.768 280 P CB 1.299 33.042 31.700 0.073 0.000 0.842 281 K N 1.585 122.024 120.400 0.065 0.000 2.186 281 K HA 0.032 4.352 4.320 -0.001 0.000 0.202 281 K C 0.402 177.028 176.600 0.044 0.000 1.052 281 K CA 1.250 57.567 56.287 0.049 0.000 0.965 281 K CB -0.004 32.509 32.500 0.023 0.000 0.746 281 K HN 0.724 8.974 8.250 -0.000 0.000 0.457 282 D N -3.233 117.186 120.400 0.032 0.000 2.738 282 D HA -0.012 4.628 4.640 -0.001 0.000 0.308 282 D C 0.541 176.873 176.300 0.052 0.000 1.311 282 D CA -0.699 53.333 54.000 0.054 0.000 0.799 282 D CB -0.392 40.411 40.800 0.006 0.000 1.332 282 D HN -0.087 8.283 8.370 -0.000 0.000 0.441 283 F N -0.159 119.827 119.950 0.059 0.000 2.373 283 F HA 0.059 4.586 4.527 -0.001 0.000 0.300 283 F C 1.432 177.293 175.800 0.102 0.000 1.080 283 F CA 0.663 58.705 58.000 0.068 0.000 1.417 283 F CB -0.448 38.585 39.000 0.056 0.000 1.070 283 F HN 0.036 8.336 8.300 -0.000 0.000 0.546 284 K N 0.590 120.591 120.400 -0.664 0.000 2.288 284 K HA -0.087 4.232 4.320 -0.001 0.000 0.201 284 K C 0.751 177.332 176.600 -0.032 0.000 1.048 284 K CA 0.965 56.979 56.287 -0.456 0.000 0.956 284 K CB -0.531 31.675 32.500 -0.490 0.000 0.746 284 K HN 0.379 8.629 8.250 -0.000 0.000 0.461 285 D N 0.570 120.985 120.400 0.024 0.000 2.328 285 D HA 0.018 4.657 4.640 -0.001 0.000 0.226 285 D C -0.241 176.276 176.300 0.362 0.000 1.066 285 D CA 0.161 54.243 54.000 0.136 0.000 0.861 285 D CB 0.400 41.233 40.800 0.055 0.000 0.912 285 D HN -0.173 8.197 8.370 -0.000 0.000 0.521 286 V N 0.807 120.913 119.914 0.320 0.000 2.495 286 V HA 0.690 4.810 4.120 -0.001 0.000 0.298 286 V C 0.125 176.203 176.094 -0.026 0.000 1.031 286 V CA -1.150 61.249 62.300 0.167 0.000 0.871 286 V CB 1.716 33.619 31.823 0.133 0.000 0.988 286 V HN 0.044 8.233 8.190 -0.000 0.000 0.432 287 A N 3.668 126.248 122.820 -0.400 0.000 2.325 287 A HA 1.049 5.368 4.320 -0.001 0.000 0.333 287 A C -0.030 177.398 177.584 -0.260 0.000 1.155 287 A CA 0.147 51.825 52.037 -0.599 0.000 0.814 287 A CB 1.609 19.868 19.000 -1.235 0.000 1.206 287 A HN 1.737 9.887 8.150 -0.000 0.000 0.482 288 A N 0.735 123.455 122.820 -0.166 0.000 2.467 288 A HA 0.610 4.929 4.320 -0.001 0.000 0.301 288 A C -1.196 176.364 177.584 -0.040 0.000 1.126 288 A CA -0.692 51.298 52.037 -0.077 0.000 0.632 288 A CB -0.057 18.928 19.000 -0.026 0.000 1.331 288 A HN 0.885 9.035 8.150 -0.000 0.000 0.482 289 L N 1.145 122.362 121.223 -0.010 0.000 2.456 289 L HA 0.227 4.566 4.340 -0.001 0.000 0.272 289 L C 1.971 178.853 176.870 0.020 0.000 1.189 289 L CA 0.400 55.245 54.840 0.010 0.000 0.846 289 L CB 0.930 43.004 42.059 0.026 0.000 1.111 289 L HN 1.042 9.272 8.230 -0.000 0.000 0.475 290 T N -1.532 113.036 114.554 0.024 0.000 3.023 290 T HA 0.049 4.399 4.350 -0.001 0.000 0.266 290 T C 0.977 175.693 174.700 0.026 0.000 1.093 290 T CA 0.454 62.572 62.100 0.030 0.000 1.129 290 T CB 0.074 68.961 68.868 0.031 0.000 0.899 290 T HN 0.731 8.971 8.240 -0.000 0.000 0.491 291 G N 0.422 109.239 108.800 0.028 0.000 3.392 291 G HA2 0.740 4.699 3.960 -0.001 0.000 0.188 291 G HA3 0.740 4.699 3.960 -0.001 0.000 0.188 291 G C -0.305 174.617 174.900 0.037 0.000 1.485 291 G CA -0.974 44.143 45.100 0.029 0.000 0.943 291 G HN 0.361 8.651 8.290 -0.000 0.000 0.627 292 R N -1.950 118.583 120.500 0.054 0.000 2.741 292 R HA 0.339 4.679 4.340 -0.001 0.000 0.274 292 R C -1.502 174.864 176.300 0.110 0.000 1.029 292 R CA -0.770 55.371 56.100 0.068 0.000 0.880 292 R CB 1.277 31.608 30.300 0.052 0.000 1.264 292 R HN 0.337 8.607 8.270 -0.000 0.000 0.465 293 I N 3.622 124.271 120.570 0.132 0.000 2.315 293 I HA 0.380 4.550 4.170 -0.001 0.000 0.291 293 I C 0.236 176.465 176.117 0.187 0.000 1.006 293 I CA -0.355 61.069 61.300 0.207 0.000 1.265 293 I CB 0.869 39.002 38.000 0.222 0.000 1.387 293 I HN 0.395 8.605 8.210 -0.000 0.000 0.475 294 I N 2.663 123.374 120.570 0.236 0.000 3.002 294 I HA 0.548 4.718 4.170 -0.001 0.000 0.310 294 I C -0.639 175.606 176.117 0.214 0.000 1.087 294 I CA -1.218 60.193 61.300 0.186 0.000 1.017 294 I CB 1.781 39.885 38.000 0.173 0.000 1.226 294 I HN 0.362 8.572 8.210 -0.000 0.000 0.443 295 K N 2.468 122.942 120.400 0.123 0.000 2.326 295 K HA 0.133 4.453 4.320 -0.001 0.000 0.275 295 K C -0.377 176.275 176.600 0.088 0.000 1.018 295 K CA -0.296 56.038 56.287 0.079 0.000 0.962 295 K CB 0.334 32.846 32.500 0.020 0.000 0.953 295 K HN 0.517 8.767 8.250 -0.000 0.000 0.475 296 N N 2.694 121.350 118.700 -0.074 0.000 2.485 296 N HA 0.057 4.796 4.740 -0.001 0.000 0.243 296 N C 0.089 175.568 175.510 -0.052 0.000 0.987 296 N CA -0.090 52.835 53.050 -0.209 0.000 0.940 296 N CB 1.169 39.238 38.487 -0.697 0.000 1.122 296 N HN 0.340 8.720 8.380 -0.000 0.000 0.509 297 K N 2.239 122.662 120.400 0.038 0.000 2.218 297 K HA -0.057 4.263 4.320 -0.001 0.000 0.205 297 K C 1.256 177.859 176.600 0.004 0.000 1.046 297 K CA 1.068 57.370 56.287 0.025 0.000 0.933 297 K CB 0.030 32.557 32.500 0.044 0.000 0.728 297 K HN 0.437 8.687 8.250 -0.000 0.000 0.454 298 L N -1.166 120.056 121.223 -0.002 0.000 2.492 298 L HA 0.177 4.516 4.340 -0.001 0.000 0.223 298 L C 0.559 177.408 176.870 -0.034 0.000 1.132 298 L CA 0.932 55.765 54.840 -0.011 0.000 0.850 298 L CB 0.026 42.084 42.059 -0.002 0.000 0.966 298 L HN 0.281 8.511 8.230 -0.000 0.000 0.454 299 G N -2.487 106.278 108.800 -0.059 0.000 2.397 299 G HA2 0.490 4.450 3.960 -0.001 0.000 0.453 299 G HA3 0.490 4.450 3.960 -0.001 0.000 0.453 299 G C -0.115 174.722 174.900 -0.105 0.000 1.579 299 G CA -0.501 44.563 45.100 -0.059 0.000 0.906 299 G HN 0.539 8.829 8.290 -0.000 0.000 0.675 300 G N 0.187 108.958 108.800 -0.048 0.000 2.508 300 G HA2 0.516 4.475 3.960 -0.001 0.000 0.220 300 G HA3 0.516 4.475 3.960 -0.001 0.000 0.220 300 G C -0.131 174.782 174.900 0.021 0.000 1.287 300 G CA 0.447 45.526 45.100 -0.035 0.000 0.916 300 G HN 2.448 10.738 8.290 -0.000 0.000 0.574 301 F N -2.765 117.038 119.950 -0.245 0.000 2.711 301 F HA 0.815 5.341 4.527 -0.001 0.000 0.313 301 F C -1.322 174.304 175.800 -0.290 0.000 1.141 301 F CA -2.026 55.830 58.000 -0.239 0.000 0.941 301 F CB 1.017 39.988 39.000 -0.047 0.000 1.349 301 F HN 0.625 8.925 8.300 -0.000 0.000 0.464 302 Y N 1.830 122.232 120.300 0.170 0.000 2.393 302 Y HA 0.652 5.202 4.550 -0.001 0.000 0.341 302 Y C -0.288 175.718 175.900 0.177 0.000 0.988 302 Y CA -1.335 56.804 58.100 0.066 0.000 1.078 302 Y CB 1.911 40.398 38.460 0.046 0.000 1.203 302 Y HN 0.484 8.764 8.280 -0.000 0.000 0.453 303 I N 4.605 125.342 120.570 0.280 0.000 2.307 303 I HA 0.330 4.500 4.170 -0.001 0.000 0.289 303 I C -0.886 175.321 176.117 0.150 0.000 1.021 303 I CA -0.746 60.690 61.300 0.227 0.000 1.224 303 I CB 0.640 38.754 38.000 0.190 0.000 1.376 303 I HN 0.249 8.459 8.210 -0.000 0.000 0.470 304 V N 5.746 125.735 119.914 0.126 0.000 2.435 304 V HA 0.879 4.998 4.120 -0.001 0.000 0.290 304 V C 0.631 176.755 176.094 0.050 0.000 1.030 304 V CA -0.252 62.090 62.300 0.070 0.000 0.881 304 V CB 0.842 32.695 31.823 0.050 0.000 0.983 304 V HN 1.072 9.262 8.190 -0.000 0.000 0.445 305 G N 4.239 113.060 108.800 0.034 0.000 2.610 305 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.304 305 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.304 305 G C -1.281 173.637 174.900 0.030 0.000 1.309 305 G CA -0.447 44.670 45.100 0.028 0.000 0.906 305 G HN 0.664 8.954 8.290 -0.000 0.000 0.521 306 D N -0.696 119.720 120.400 0.026 0.000 2.374 306 D HA 0.587 5.226 4.640 -0.001 0.000 0.239 306 D C 0.185 176.492 176.300 0.012 0.000 0.991 306 D CA -0.471 53.543 54.000 0.023 0.000 0.960 306 D CB 1.833 42.649 40.800 0.026 0.000 1.284 306 D HN 0.483 8.853 8.370 -0.000 0.000 0.512 307 I N 1.440 122.011 120.570 0.001 0.000 2.352 307 I HA 0.124 4.294 4.170 -0.001 0.000 0.290 307 I C 0.340 176.434 176.117 -0.039 0.000 1.036 307 I CA 0.196 61.475 61.300 -0.035 0.000 1.336 307 I CB 0.439 38.410 38.000 -0.049 0.000 1.407 307 I HN 0.019 8.229 8.210 -0.000 0.000 0.497 308 E N 5.485 125.649 120.200 -0.060 0.000 2.366 308 E HA 0.361 4.710 4.350 -0.001 0.000 0.278 308 E C -1.255 175.306 176.600 -0.065 0.000 0.923 308 E CA -0.811 55.582 56.400 -0.012 0.000 0.761 308 E CB 2.554 32.288 29.700 0.056 0.000 1.231 308 E HN 0.198 8.558 8.360 -0.000 0.000 0.443 309 F N 0.449 120.417 119.950 0.031 0.000 2.471 309 F HA 0.266 4.793 4.527 -0.001 0.000 0.353 309 F C 1.730 177.561 175.800 0.051 0.000 1.113 309 F CA 1.908 59.924 58.000 0.026 0.000 1.262 309 F CB 0.780 39.774 39.000 -0.010 0.000 1.146 309 F HN 0.820 9.120 8.300 -0.000 0.000 0.578 310 G N 1.495 110.446 108.800 0.251 0.000 2.184 310 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.264 310 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.264 310 G C 1.152 176.287 174.900 0.391 0.000 0.975 310 G CA 0.518 45.823 45.100 0.342 0.000 0.642 310 G HN 1.067 9.357 8.290 -0.000 0.000 0.536 311 A N -0.364 122.578 122.820 0.204 0.000 1.902 311 A HA 0.422 4.741 4.320 -0.001 0.000 0.217 311 A C 1.730 179.382 177.584 0.113 0.000 1.181 311 A CA 2.365 54.481 52.037 0.131 0.000 0.623 311 A CB -0.107 18.929 19.000 0.059 0.000 0.818 311 A HN 1.601 9.751 8.150 -0.000 0.000 0.443 312 S N -0.740 115.035 115.700 0.125 0.000 2.622 312 S HA 0.383 4.852 4.470 -0.001 0.000 0.283 312 S C 0.370 175.011 174.600 0.068 0.000 1.197 312 S CA -0.503 57.745 58.200 0.081 0.000 1.146 312 S CB 0.626 63.871 63.200 0.076 0.000 1.007 312 S HN 0.452 8.762 8.310 -0.000 0.000 0.478 313 E N 1.982 122.126 120.200 -0.094 0.000 2.106 313 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 313 E C 1.347 177.928 176.600 -0.031 0.000 0.984 313 E CA 1.194 57.464 56.400 -0.217 0.000 0.806 313 E CB -0.131 29.263 29.700 -0.509 0.000 0.750 313 E HN 0.879 9.239 8.360 -0.000 0.000 0.458 314 H N 0.917 119.943 119.070 -0.073 0.000 2.251 314 H HA -0.147 4.409 4.556 -0.001 0.000 0.294 314 H C 1.822 177.148 175.328 -0.003 0.000 1.078 314 H CA 1.987 58.016 56.048 -0.032 0.000 1.246 314 H CB -0.059 29.690 29.762 -0.022 0.000 1.358 314 H HN 0.053 8.333 8.280 -0.000 0.000 0.488 315 I N 0.704 121.269 120.570 -0.008 0.000 2.614 315 I HA -0.119 4.051 4.170 -0.001 0.000 0.258 315 I C 2.619 178.714 176.117 -0.037 0.000 1.189 315 I CA 1.126 62.391 61.300 -0.059 0.000 1.462 315 I CB -1.713 36.305 38.000 0.030 0.000 1.092 315 I HN 0.449 8.659 8.210 -0.000 0.000 0.442 316 A N 1.251 124.082 122.820 0.018 0.000 1.902 316 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 316 A C 2.351 179.955 177.584 0.033 0.000 1.181 316 A CA 1.380 53.456 52.037 0.066 0.000 0.623 316 A CB -0.435 18.672 19.000 0.178 0.000 0.818 316 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 317 K N -0.451 119.942 120.400 -0.013 0.000 2.103 317 K HA -0.099 4.221 4.320 -0.001 0.000 0.207 317 K C 1.757 178.326 176.600 -0.051 0.000 1.048 317 K CA 1.556 57.827 56.287 -0.028 0.000 0.930 317 K CB -0.382 32.077 32.500 -0.068 0.000 0.716 317 K HN 0.566 8.816 8.250 -0.000 0.000 0.444 318 I N 0.806 121.319 120.570 -0.094 0.000 2.202 318 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 318 I C 2.243 178.336 176.117 -0.040 0.000 1.091 318 I CA 1.218 62.465 61.300 -0.088 0.000 1.368 318 I CB -0.250 37.684 38.000 -0.110 0.000 1.058 318 I HN 0.086 8.296 8.210 -0.000 0.000 0.410 319 I N 0.217 120.773 120.570 -0.022 0.000 2.179 319 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 319 I C 2.391 178.520 176.117 0.019 0.000 1.088 319 I CA 1.371 62.669 61.300 -0.003 0.000 1.357 319 I CB -0.312 37.690 38.000 0.003 0.000 1.051 319 I HN 0.170 8.380 8.210 -0.000 0.000 0.409 320 L N 0.138 121.381 121.223 0.034 0.000 2.131 320 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 320 L C 2.613 179.521 176.870 0.062 0.000 1.092 320 L CA 1.614 56.486 54.840 0.052 0.000 0.759 320 L CB -0.785 41.314 42.059 0.067 0.000 0.903 320 L HN 0.114 8.344 8.230 -0.000 0.000 0.435 321 S N -0.772 114.960 115.700 0.054 0.000 2.357 321 S HA -0.108 4.362 4.470 -0.001 0.000 0.221 321 S C 2.171 176.874 174.600 0.171 0.000 1.031 321 S CA 1.042 59.296 58.200 0.089 0.000 0.982 321 S CB -0.394 62.825 63.200 0.033 0.000 0.853 321 S HN 0.492 8.802 8.310 -0.000 0.000 0.458 322 A N 1.827 124.707 122.820 0.100 0.000 1.972 322 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 322 A C 2.291 179.986 177.584 0.185 0.000 1.169 322 A CA 1.859 53.971 52.037 0.124 0.000 0.635 322 A CB -0.908 18.098 19.000 0.011 0.000 0.810 322 A HN 0.614 8.764 8.150 -0.000 0.000 0.446 323 S N -0.246 115.516 115.700 0.103 0.000 2.442 323 S HA -0.141 4.328 4.470 -0.001 0.000 0.236 323 S C 1.645 176.294 174.600 0.082 0.000 1.007 323 S CA 1.270 59.504 58.200 0.057 0.000 0.965 323 S CB -0.239 62.962 63.200 0.001 0.000 0.773 323 S HN 0.445 8.755 8.310 -0.000 0.000 0.504 324 K N 0.542 121.007 120.400 0.108 0.000 2.283 324 K HA 0.121 4.441 4.320 -0.001 0.000 0.202 324 K C 1.209 177.713 176.600 -0.159 0.000 1.048 324 K CA 0.825 57.099 56.287 -0.023 0.000 0.948 324 K CB -0.476 31.970 32.500 -0.089 0.000 0.742 324 K HN 0.593 8.843 8.250 -0.000 0.000 0.458 325 F N -0.035 119.927 119.950 0.020 0.000 2.437 325 F HA 0.097 4.623 4.527 -0.001 0.000 0.288 325 F C 0.832 176.650 175.800 0.031 0.000 1.085 325 F CA -0.091 57.926 58.000 0.028 0.000 1.430 325 F CB 0.309 39.328 39.000 0.030 0.000 1.120 325 F HN -0.074 8.226 8.300 -0.000 0.000 0.556 326 N N 0.355 119.173 118.700 0.197 0.000 2.621 326 N HA 0.173 4.913 4.740 -0.001 0.000 0.271 326 N C -2.338 173.189 175.510 0.029 0.000 1.181 326 N CA -2.065 51.048 53.050 0.106 0.000 0.805 326 N CB 1.353 39.906 38.487 0.111 0.000 1.351 326 N HN -0.221 8.159 8.380 -0.000 0.000 0.539 327 P HA -0.092 4.328 4.420 -0.000 0.000 0.229 327 P C 0.478 177.639 177.300 -0.232 0.000 1.150 327 P CA 0.949 63.931 63.100 -0.197 0.000 0.765 327 P CB 0.595 32.128 31.700 -0.277 0.000 0.783 328 E N -0.705 119.434 120.200 -0.102 0.000 2.358 328 E HA 0.006 4.356 4.350 -0.001 0.000 0.195 328 E C 0.596 177.160 176.600 -0.060 0.000 1.010 328 E CA 0.120 56.474 56.400 -0.077 0.000 0.856 328 E CB 0.042 29.731 29.700 -0.019 0.000 0.795 328 E HN 0.214 8.574 8.360 -0.000 0.000 0.504 329 I N 1.644 122.187 120.570 -0.045 0.000 2.347 329 I HA 0.052 4.222 4.170 -0.001 0.000 0.294 329 I C 0.952 177.042 176.117 -0.045 0.000 1.090 329 I CA 0.696 61.978 61.300 -0.030 0.000 1.314 329 I CB 0.607 38.602 38.000 -0.007 0.000 1.423 329 I HN 0.026 8.236 8.210 -0.000 0.000 0.503 330 R N 3.776 124.251 120.500 -0.042 0.000 2.476 330 R HA 0.483 4.823 4.340 -0.001 0.000 0.276 330 R C 0.162 176.447 176.300 -0.026 0.000 0.941 330 R CA -0.067 56.010 56.100 -0.038 0.000 1.088 330 R CB 1.070 31.344 30.300 -0.043 0.000 1.216 330 R HN 0.632 8.902 8.270 -0.000 0.000 0.533 331 A N 0.111 122.915 122.820 -0.028 0.000 2.498 331 A HA 0.734 5.054 4.320 -0.001 0.000 0.298 331 A C -1.098 176.464 177.584 -0.037 0.000 1.075 331 A CA -0.707 51.312 52.037 -0.031 0.000 0.714 331 A CB 1.834 20.815 19.000 -0.031 0.000 1.299 331 A HN 0.217 8.367 8.150 -0.000 0.000 0.407 335 I N -2.770 117.827 120.570 0.046 0.000 3.042 335 I HA 0.583 4.752 4.170 -0.001 0.000 0.310 335 I C -0.046 176.060 176.117 -0.017 0.000 1.117 335 I CA -1.108 60.223 61.300 0.050 0.000 1.003 335 I CB 2.278 40.318 38.000 0.066 0.000 1.228 335 I HN 0.461 8.671 8.210 -0.000 0.000 0.443 336 K N 2.085 122.423 120.400 -0.103 0.000 2.485 336 K HA 0.016 4.335 4.320 -0.001 0.000 0.277 336 K C -1.248 175.292 176.600 -0.100 0.000 0.990 336 K CA 0.013 56.229 56.287 -0.118 0.000 0.994 336 K CB 0.422 32.786 32.500 -0.226 0.000 0.906 336 K HN 0.629 8.879 8.250 -0.000 0.000 0.488 337 Y N 2.936 123.152 120.300 -0.140 0.000 2.307 337 Y HA 0.258 4.807 4.550 -0.001 0.000 0.324 337 Y C -0.648 175.171 175.900 -0.134 0.000 1.238 337 Y CA -0.227 57.791 58.100 -0.137 0.000 1.280 337 Y CB 1.179 39.586 38.460 -0.088 0.000 1.248 337 Y HN 0.680 8.960 8.280 -0.000 0.000 0.508 338 D N 3.114 122.799 120.400 -1.191 0.000 2.688 338 D HA 0.148 4.787 4.640 -0.001 0.000 0.210 338 D C 0.477 176.174 176.300 -1.005 0.000 1.333 338 D CA 0.210 53.692 54.000 -0.864 0.000 0.920 338 D CB 1.419 42.040 40.800 -0.299 0.000 1.554 338 D HN 0.878 9.248 8.370 -0.000 0.000 0.579 339 G N 2.504 110.811 108.800 -0.822 0.000 2.476 339 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 339 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 339 G C 1.300 176.032 174.900 -0.281 0.000 1.164 339 G CA 1.366 46.202 45.100 -0.441 0.000 0.768 339 G HN 0.551 8.841 8.290 -0.000 0.000 0.560 340 G N 0.664 109.340 108.800 -0.206 0.000 2.418 340 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.217 340 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.217 340 G C 1.752 176.574 174.900 -0.130 0.000 1.158 340 G CA 1.069 46.087 45.100 -0.137 0.000 0.771 340 G HN 0.416 8.706 8.290 -0.000 0.000 0.545 341 L N 0.841 121.976 121.223 -0.147 0.000 2.046 341 L HA -0.024 4.315 4.340 -0.001 0.000 0.208 341 L C 2.591 179.380 176.870 -0.134 0.000 1.077 341 L CA 1.259 56.041 54.840 -0.097 0.000 0.747 341 L CB -0.385 41.624 42.059 -0.082 0.000 0.896 341 L HN 0.104 8.334 8.230 -0.000 0.000 0.432 342 I N -0.095 120.326 120.570 -0.247 0.000 2.127 342 I HA -0.334 3.836 4.170 -0.001 0.000 0.241 342 I C 2.469 178.520 176.117 -0.110 0.000 1.075 342 I CA 1.553 62.710 61.300 -0.239 0.000 1.334 342 I CB -1.190 36.546 38.000 -0.440 0.000 1.040 342 I HN 0.370 8.580 8.210 -0.000 0.000 0.405 343 K N 0.541 120.881 120.400 -0.100 0.000 2.074 343 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 343 K C 2.077 178.666 176.600 -0.019 0.000 1.048 343 K CA 1.206 57.467 56.287 -0.044 0.000 0.926 343 K CB -0.296 32.176 32.500 -0.047 0.000 0.713 343 K HN 0.302 8.552 8.250 -0.000 0.000 0.444 344 L N 0.857 122.065 121.223 -0.025 0.000 2.362 344 L HA -0.114 4.225 4.340 -0.001 0.000 0.219 344 L C 2.030 178.923 176.870 0.038 0.000 1.134 344 L CA 0.617 55.457 54.840 0.000 0.000 0.807 344 L CB -0.201 41.856 42.059 -0.003 0.000 0.927 344 L HN 0.214 8.444 8.230 -0.000 0.000 0.447 345 L N -1.017 120.241 121.223 0.058 0.000 2.298 345 L HA -0.030 4.309 4.340 -0.001 0.000 0.209 345 L C 2.148 179.115 176.870 0.161 0.000 1.084 345 L CA 0.375 55.313 54.840 0.164 0.000 0.816 345 L CB -0.230 41.929 42.059 0.167 0.000 0.967 345 L HN 0.107 8.337 8.230 -0.000 0.000 0.460 346 K N 0.385 120.842 120.400 0.094 0.000 2.520 346 K HA -0.174 4.145 4.320 -0.001 0.000 0.197 346 K C 0.739 177.381 176.600 0.070 0.000 1.044 346 K CA 0.891 57.234 56.287 0.093 0.000 0.938 346 K CB -0.074 32.471 32.500 0.074 0.000 0.767 346 K HN 0.396 8.646 8.250 -0.000 0.000 0.481 347 D N -0.155 120.269 120.400 0.041 0.000 2.388 347 D HA 0.010 4.649 4.640 -0.001 0.000 0.208 347 D C 1.140 177.409 176.300 -0.051 0.000 1.035 347 D CA 0.667 54.669 54.000 0.004 0.000 0.875 347 D CB 0.466 41.263 40.800 -0.005 0.000 0.984 347 D HN 0.164 8.534 8.370 -0.000 0.000 0.508 348 K N -0.655 119.685 120.400 -0.099 0.000 2.360 348 K HA 0.179 4.498 4.320 -0.001 0.000 0.196 348 K C -0.139 176.087 176.600 -0.622 0.000 1.049 348 K CA 0.150 56.222 56.287 -0.358 0.000 1.049 348 K CB 1.176 33.401 32.500 -0.459 0.000 0.881 348 K HN -0.082 8.168 8.250 -0.000 0.000 0.542 349 F N 0.311 120.264 119.950 0.005 0.000 2.613 349 F HA 0.471 4.997 4.527 -0.001 0.000 0.314 349 F C -0.503 175.295 175.800 -0.004 0.000 1.075 349 F CA -1.622 56.375 58.000 -0.005 0.000 0.945 349 F CB 1.271 40.257 39.000 -0.023 0.000 1.310 349 F HN -0.260 8.040 8.300 -0.000 0.000 0.467 350 A N 1.826 124.758 122.820 0.185 0.000 2.354 350 A HA 0.672 4.991 4.320 -0.001 0.000 0.281 350 A C -0.957 176.545 177.584 -0.136 0.000 1.174 350 A CA -0.341 51.713 52.037 0.028 0.000 0.828 350 A CB -0.042 18.927 19.000 -0.051 0.000 1.099 350 A HN 0.523 8.673 8.150 -0.000 0.000 0.516 351 V N 2.037 121.902 119.914 -0.082 0.000 2.680 351 V HA 0.809 4.928 4.120 -0.001 0.000 0.309 351 V C 0.277 176.317 176.094 -0.089 0.000 1.052 351 V CA -0.371 61.896 62.300 -0.055 0.000 0.908 351 V CB 1.801 33.696 31.823 0.120 0.000 1.001 351 V HN 1.001 9.191 8.190 -0.000 0.000 0.431 352 S N 1.795 117.414 115.700 -0.135 0.000 2.671 352 S HA 0.948 5.417 4.470 -0.001 0.000 0.277 352 S C -0.734 173.687 174.600 -0.299 0.000 1.165 352 S CA 0.223 58.331 58.200 -0.153 0.000 0.822 352 S CB 2.160 65.255 63.200 -0.175 0.000 1.150 352 S HN 1.424 9.734 8.310 -0.000 0.000 0.479 353 S N 0.615 116.105 115.700 -0.350 0.000 2.727 353 S HA 0.889 5.358 4.470 -0.001 0.000 0.278 353 S C -1.499 172.932 174.600 -0.282 0.000 1.186 353 S CA -0.781 57.081 58.200 -0.562 0.000 0.836 353 S CB 1.018 63.501 63.200 -1.195 0.000 1.186 353 S HN 1.536 9.846 8.310 -0.000 0.000 0.499 354 F N -0.777 118.952 119.950 -0.369 0.000 2.686 354 F HA 0.815 5.342 4.527 -0.001 0.000 0.311 354 F C -1.792 173.932 175.800 -0.126 0.000 1.128 354 F CA -0.810 57.024 58.000 -0.277 0.000 0.946 354 F CB 1.171 39.921 39.000 -0.417 0.000 1.336 354 F HN 0.605 8.905 8.300 -0.000 0.000 0.457 355 D N 1.494 122.035 120.400 0.235 0.000 2.381 355 D HA 0.344 4.984 4.640 -0.001 0.000 0.235 355 D C 0.697 177.267 176.300 0.450 0.000 1.068 355 D CA -0.378 53.739 54.000 0.195 0.000 0.832 355 D CB 1.735 42.620 40.800 0.143 0.000 1.101 355 D HN 0.737 9.107 8.370 -0.000 0.000 0.515 356 R N 2.261 122.962 120.500 0.334 0.000 2.170 356 R HA -0.125 4.215 4.340 -0.001 0.000 0.242 356 R C 1.595 177.982 176.300 0.146 0.000 1.145 356 R CA 1.237 57.533 56.100 0.326 0.000 0.984 356 R CB 0.277 30.700 30.300 0.206 0.000 0.869 356 R HN 0.395 8.665 8.270 -0.000 0.000 0.455 357 K N 0.233 120.699 120.400 0.110 0.000 2.283 357 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 357 K C 1.134 177.752 176.600 0.030 0.000 1.048 357 K CA 0.703 57.018 56.287 0.047 0.000 0.948 357 K CB 0.211 32.736 32.500 0.041 0.000 0.742 357 K HN 0.121 8.371 8.250 -0.000 0.000 0.458 358 E N 1.302 121.569 120.200 0.111 0.000 2.465 358 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 358 E C -0.178 176.321 176.600 -0.168 0.000 1.053 358 E CA 0.111 56.575 56.400 0.107 0.000 0.869 358 E CB 0.081 29.964 29.700 0.305 0.000 0.977 358 E HN 0.330 8.690 8.360 -0.000 0.000 0.483 359 E N 3.019 122.904 120.200 -0.526 0.000 2.366 359 E HA 0.053 4.403 4.350 -0.001 0.000 0.266 359 E C -1.980 174.176 176.600 -0.740 0.000 1.015 359 E CA -1.547 54.089 56.400 -1.273 0.000 0.906 359 E CB 0.737 29.901 29.700 -0.894 0.000 0.979 359 E HN -0.076 8.284 8.360 -0.000 0.000 0.443 360 P HA 0.301 4.721 4.420 -0.000 0.000 0.277 360 P C -2.664 174.451 177.300 -0.308 0.000 1.271 360 P CA -1.471 61.392 63.100 -0.395 0.000 0.795 360 P CB 0.028 31.548 31.700 -0.300 0.000 1.101 361 P HA 0.199 4.619 4.420 -0.000 0.000 0.274 361 P C -0.658 176.578 177.300 -0.107 0.000 1.231 361 P CA -0.017 63.007 63.100 -0.128 0.000 0.790 361 P CB -0.242 31.407 31.700 -0.084 0.000 0.951 362 N N -1.486 117.163 118.700 -0.084 0.000 2.714 362 N HA -0.086 4.654 4.740 -0.001 0.000 0.253 362 N C -0.453 175.027 175.510 -0.050 0.000 1.024 362 N CA 0.970 53.987 53.050 -0.056 0.000 0.726 362 N CB -1.608 36.858 38.487 -0.035 0.000 0.908 362 N HN 0.255 8.635 8.380 -0.000 0.000 0.542 363 V N -4.647 115.223 119.914 -0.073 0.000 3.130 363 V HA 0.818 4.937 4.120 -0.001 0.000 0.310 363 V C 0.191 176.269 176.094 -0.027 0.000 1.158 363 V CA -0.893 61.383 62.300 -0.040 0.000 1.029 363 V CB 2.216 34.003 31.823 -0.060 0.000 1.057 363 V HN 0.096 8.286 8.190 -0.000 0.000 0.436 364 S N 1.621 117.334 115.700 0.022 0.000 2.452 364 S HA 0.461 4.931 4.470 -0.001 0.000 0.284 364 S C 0.488 175.121 174.600 0.055 0.000 1.171 364 S CA -0.008 58.207 58.200 0.025 0.000 1.064 364 S CB 0.271 63.486 63.200 0.025 0.000 0.967 364 S HN 1.108 9.418 8.310 -0.000 0.000 0.484 368 W N 3.117 124.316 121.300 -0.169 0.000 2.355 368 W HA -0.019 4.640 4.660 -0.001 0.000 0.309 368 W C 2.034 178.375 176.519 -0.296 0.000 1.206 368 W CA 2.624 59.866 57.345 -0.172 0.000 1.284 368 W CB -0.542 28.831 29.460 -0.146 0.000 1.145 368 W HN 0.148 8.328 8.180 -0.000 0.000 0.502 369 G N -0.395 107.945 108.800 -0.765 0.000 2.418 369 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 369 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 369 G C 1.412 175.720 174.900 -0.987 0.000 1.158 369 G CA 1.660 45.773 45.100 -1.644 0.000 0.771 369 G HN 0.314 8.604 8.290 -0.000 0.000 0.545 370 T N 0.247 114.445 114.554 -0.594 0.000 2.737 370 T HA -0.066 4.284 4.350 -0.001 0.000 0.265 370 T C 2.216 176.703 174.700 -0.355 0.000 1.038 370 T CA 1.502 63.398 62.100 -0.340 0.000 1.144 370 T CB -0.133 68.612 68.868 -0.206 0.000 0.866 370 T HN 0.370 8.610 8.240 -0.000 0.000 0.434 371 K N 0.614 120.832 120.400 -0.303 0.000 2.009 371 K HA -0.114 4.206 4.320 -0.001 0.000 0.210 371 K C 2.197 178.607 176.600 -0.316 0.000 1.049 371 K CA 1.306 57.486 56.287 -0.179 0.000 0.929 371 K CB -0.247 32.233 32.500 -0.035 0.000 0.714 371 K HN 0.129 8.379 8.250 -0.000 0.000 0.440 372 I N 1.501 121.773 120.570 -0.497 0.000 2.118 372 I HA -0.278 3.892 4.170 -0.001 0.000 0.241 372 I C 2.571 178.505 176.117 -0.305 0.000 1.070 372 I CA 1.741 62.773 61.300 -0.446 0.000 1.327 372 I CB -1.606 35.948 38.000 -0.744 0.000 1.034 372 I HN 0.307 8.517 8.210 -0.000 0.000 0.405 373 A N -0.120 122.514 122.820 -0.311 0.000 1.908 373 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 373 A C 2.580 180.028 177.584 -0.227 0.000 1.181 373 A CA 2.035 53.947 52.037 -0.207 0.000 0.627 373 A CB -1.116 17.795 19.000 -0.149 0.000 0.818 373 A HN 0.537 8.687 8.150 -0.000 0.000 0.445 374 C N -0.788 118.264 119.300 -0.413 0.000 2.466 374 C HA -0.024 4.436 4.460 -0.001 0.000 0.278 374 C C 2.611 177.355 174.990 -0.410 0.000 1.288 374 C CA 0.933 59.597 59.018 -0.591 0.000 1.722 374 C CB -1.195 25.688 27.740 -1.427 0.000 2.017 374 C HN 0.681 8.911 8.230 -0.000 0.000 0.488 375 E N 0.949 120.962 120.200 -0.313 0.000 2.110 375 E HA -0.247 4.103 4.350 -0.001 0.000 0.193 375 E C 2.136 178.736 176.600 0.000 0.000 0.988 375 E CA 0.930 57.336 56.400 0.008 0.000 0.804 375 E CB -0.243 29.507 29.700 0.084 0.000 0.745 375 E HN 0.612 8.972 8.360 -0.000 0.000 0.458 376 K N 0.396 120.776 120.400 -0.034 0.000 2.148 376 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 376 K C 1.727 178.363 176.600 0.060 0.000 1.050 376 K CA 0.805 57.095 56.287 0.004 0.000 0.942 376 K CB -0.011 32.479 32.500 -0.017 0.000 0.724 376 K HN 0.077 8.327 8.250 -0.000 0.000 0.446 377 F N 0.369 120.261 119.950 -0.096 0.000 2.619 377 F HA 0.212 4.739 4.527 -0.001 0.000 0.293 377 F C 0.929 176.708 175.800 -0.036 0.000 1.119 377 F CA 1.081 59.042 58.000 -0.066 0.000 1.445 377 F CB 0.559 39.505 39.000 -0.089 0.000 1.119 377 F HN 0.236 8.536 8.300 -0.000 0.000 0.573 378 G N 0.630 109.398 108.800 -0.055 0.000 2.149 378 G HA2 0.148 4.108 3.960 -0.001 0.000 0.235 378 G HA3 0.148 4.108 3.960 -0.001 0.000 0.235 378 G C 0.431 175.332 174.900 0.002 0.000 1.018 378 G CA -0.003 45.052 45.100 -0.075 0.000 0.728 378 G HN 1.276 9.566 8.290 -0.000 0.000 0.508 379 G N -2.614 106.279 108.800 0.154 0.000 2.351 379 G HA2 0.508 4.468 3.960 -0.001 0.000 0.279 379 G HA3 0.508 4.468 3.960 -0.001 0.000 0.279 379 G C -1.041 174.008 174.900 0.249 0.000 1.297 379 G CA 0.173 45.427 45.100 0.257 0.000 0.886 379 G HN 1.254 9.544 8.290 -0.000 0.000 0.493 380 V N 3.366 123.404 119.914 0.206 0.000 2.364 380 V HA 0.534 4.654 4.120 -0.001 0.000 0.272 380 V C -1.324 174.741 176.094 -0.049 0.000 1.036 380 V CA -0.777 61.537 62.300 0.024 0.000 0.880 380 V CB 1.086 32.928 31.823 0.032 0.000 0.991 380 V HN 0.677 8.867 8.190 -0.000 0.000 0.460 381 P HA 0.339 4.759 4.420 -0.000 0.000 0.293 381 P C 0.011 177.139 177.300 -0.286 0.000 1.304 381 P CA -0.392 62.298 63.100 -0.682 0.000 0.767 381 P CB 1.527 32.552 31.700 -1.125 0.000 1.247 382 D N -0.890 119.384 120.400 -0.211 0.000 2.249 382 D HA 0.126 4.766 4.640 -0.001 0.000 0.205 382 D C 0.636 176.836 176.300 -0.167 0.000 0.962 382 D CA 1.253 55.193 54.000 -0.101 0.000 0.860 382 D CB 0.393 41.227 40.800 0.056 0.000 0.955 382 D HN 0.303 8.673 8.370 -0.000 0.000 0.505 383 I N 0.907 121.370 120.570 -0.178 0.000 2.619 383 I HA 0.328 4.498 4.170 -0.001 0.000 0.292 383 I C -0.802 175.256 176.117 -0.098 0.000 1.100 383 I CA -0.600 60.623 61.300 -0.128 0.000 1.043 383 I CB 3.029 40.972 38.000 -0.095 0.000 1.239 383 I HN -0.323 7.887 8.210 -0.000 0.000 0.420 384 I N 6.401 126.940 120.570 -0.051 0.000 2.439 384 I HA 0.338 4.507 4.170 -0.001 0.000 0.285 384 I C -1.130 175.000 176.117 0.021 0.000 1.021 384 I CA -0.683 60.584 61.300 -0.055 0.000 1.091 384 I CB 1.521 39.495 38.000 -0.043 0.000 1.242 384 I HN 0.506 8.716 8.210 -0.000 0.000 0.439 385 Y N 5.331 125.566 120.300 -0.109 0.000 2.633 385 Y HA 0.827 5.377 4.550 -0.001 0.000 0.339 385 Y C -1.367 174.289 175.900 -0.406 0.000 1.045 385 Y CA -1.128 56.879 58.100 -0.155 0.000 1.098 385 Y CB 1.515 39.963 38.460 -0.019 0.000 1.296 385 Y HN 0.536 8.816 8.280 -0.000 0.000 0.494 386 D N 0.242 120.443 120.400 -0.332 0.000 2.736 386 D HA 0.233 4.873 4.640 -0.001 0.000 0.223 386 D C -0.700 175.327 176.300 -0.457 0.000 1.231 386 D CA -0.850 52.750 54.000 -0.667 0.000 0.818 386 D CB 1.935 41.987 40.800 -1.248 0.000 1.587 386 D HN 0.831 9.201 8.370 -0.000 0.000 0.463 387 R N 0.829 121.093 120.500 -0.393 0.000 2.325 387 R HA 0.328 4.668 4.340 -0.001 0.000 0.214 387 R C 1.161 177.277 176.300 -0.306 0.000 0.961 387 R CA 0.604 56.443 56.100 -0.435 0.000 1.086 387 R CB -0.303 29.881 30.300 -0.192 0.000 1.037 387 R HN 0.741 9.011 8.270 -0.000 0.000 0.493 388 G N -0.324 108.328 108.800 -0.247 0.000 2.660 388 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.215 388 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.215 388 G C -0.121 174.746 174.900 -0.056 0.000 1.345 388 G CA -0.734 44.292 45.100 -0.123 0.000 0.877 388 G HN 0.552 8.842 8.290 -0.000 0.000 0.549 389 G N -1.682 107.105 108.800 -0.022 0.000 2.428 389 G HA2 0.631 4.591 3.960 -0.001 0.000 0.305 389 G HA3 0.631 4.591 3.960 -0.001 0.000 0.305 389 G C -0.953 173.948 174.900 0.001 0.000 1.260 389 G CA 0.586 45.685 45.100 -0.002 0.000 0.853 389 G HN 1.336 9.626 8.290 -0.000 0.000 0.480 390 E N 0.408 120.611 120.200 0.005 0.000 2.498 390 E HA 0.426 4.775 4.350 -0.001 0.000 0.252 390 E C 1.331 177.933 176.600 0.004 0.000 1.025 390 E CA 1.670 58.071 56.400 0.002 0.000 0.938 390 E CB 0.014 29.715 29.700 0.000 0.000 0.947 390 E HN 2.036 10.396 8.360 -0.000 0.000 0.478 391 G N 4.339 113.139 108.800 0.001 0.000 2.168 391 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.263 391 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.263 391 G C -0.125 174.776 174.900 0.002 0.000 0.977 391 G CA 0.565 45.665 45.100 0.000 0.000 0.659 391 G HN 0.414 8.704 8.290 -0.000 0.000 0.533 392 K N 0.889 121.292 120.400 0.005 0.000 2.463 392 K HA 0.360 4.680 4.320 -0.001 0.000 0.255 392 K C 0.226 176.823 176.600 -0.004 0.000 0.942 392 K CA -0.575 55.717 56.287 0.008 0.000 0.814 392 K CB 1.910 34.428 32.500 0.029 0.000 1.122 392 K HN 0.685 8.935 8.250 -0.000 0.000 0.425 393 E N 4.873 125.071 120.200 -0.005 0.000 2.354 393 E HA 0.219 4.569 4.350 -0.001 0.000 0.269 393 E C -1.805 174.775 176.600 -0.032 0.000 1.036 393 E CA -1.358 55.035 56.400 -0.010 0.000 0.876 393 E CB 0.492 30.193 29.700 0.001 0.000 1.009 393 E HN 0.185 8.545 8.360 -0.000 0.000 0.416 397 R N 5.053 125.576 120.500 0.038 0.000 2.343 397 R HA 0.694 5.034 4.340 -0.001 0.000 0.320 397 R C -1.070 175.199 176.300 -0.053 0.000 0.956 397 R CA -0.828 55.273 56.100 0.002 0.000 0.836 397 R CB 2.420 32.733 30.300 0.021 0.000 1.151 397 R HN 0.213 8.483 8.270 -0.000 0.000 0.450 398 V N 5.586 125.451 119.914 -0.082 0.000 2.407 398 V HA 0.316 4.436 4.120 -0.001 0.000 0.278 398 V C -0.236 175.797 176.094 -0.101 0.000 1.037 398 V CA -0.633 61.589 62.300 -0.131 0.000 0.900 398 V CB 1.066 32.786 31.823 -0.171 0.000 0.983 398 V HN 0.489 8.679 8.190 -0.000 0.000 0.459 399 L N 3.993 125.157 121.223 -0.100 0.000 2.313 399 L HA 1.058 5.398 4.340 -0.001 0.000 0.268 399 L C 0.588 177.425 176.870 -0.054 0.000 1.010 399 L CA 0.118 54.916 54.840 -0.071 0.000 0.814 399 L CB 1.847 43.864 42.059 -0.070 0.000 1.304 399 L HN 0.822 9.052 8.230 -0.000 0.000 0.441 400 G N -0.507 108.272 108.800 -0.036 0.000 2.441 400 G HA2 0.298 4.258 3.960 -0.001 0.000 0.294 400 G HA3 0.298 4.258 3.960 -0.001 0.000 0.294 400 G C -0.166 174.727 174.900 -0.013 0.000 1.393 400 G CA -0.745 44.346 45.100 -0.016 0.000 0.796 400 G HN 0.333 8.623 8.290 -0.000 0.000 0.494 401 R N -0.372 120.127 120.500 -0.003 0.000 2.092 401 R HA 0.076 4.416 4.340 -0.001 0.000 0.231 401 R C 0.220 176.513 176.300 -0.012 0.000 1.119 401 R CA 1.939 58.035 56.100 -0.007 0.000 0.970 401 R CB -0.150 30.151 30.300 0.003 0.000 0.864 401 R HN 0.740 9.010 8.270 -0.000 0.000 0.440 402 D N -3.542 116.855 120.400 -0.005 0.000 2.615 402 D HA 0.290 4.929 4.640 -0.001 0.000 0.267 402 D C 0.042 176.339 176.300 -0.006 0.000 1.236 402 D CA -0.289 53.708 54.000 -0.005 0.000 0.839 402 D CB 0.584 41.387 40.800 0.005 0.000 1.380 402 D HN -0.133 8.237 8.370 -0.000 0.000 0.433 403 A N 0.125 122.940 122.820 -0.008 0.000 1.948 403 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 403 A C 1.996 179.575 177.584 -0.008 0.000 1.177 403 A CA 1.530 53.556 52.037 -0.018 0.000 0.636 403 A CB -1.086 17.901 19.000 -0.021 0.000 0.815 403 A HN 0.625 8.775 8.150 -0.000 0.000 0.449 404 I N -1.003 119.587 120.570 0.034 0.000 2.252 404 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 404 I C 2.533 178.672 176.117 0.036 0.000 1.102 404 I CA 1.677 63.015 61.300 0.064 0.000 1.385 404 I CB -0.387 37.706 38.000 0.155 0.000 1.064 404 I HN 0.491 8.701 8.210 -0.000 0.000 0.414 405 E N 0.917 121.135 120.200 0.029 0.000 2.110 405 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 405 E C 2.331 178.932 176.600 0.001 0.000 0.988 405 E CA 1.124 57.539 56.400 0.025 0.000 0.804 405 E CB 0.221 29.936 29.700 0.024 0.000 0.745 405 E HN 0.257 8.617 8.360 -0.000 0.000 0.458 406 V N 0.330 120.229 119.914 -0.024 0.000 2.295 406 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 406 V C 2.348 178.390 176.094 -0.087 0.000 1.049 406 V CA 1.328 63.592 62.300 -0.060 0.000 1.024 406 V CB -0.192 31.589 31.823 -0.070 0.000 0.648 406 V HN 0.204 8.394 8.190 -0.000 0.000 0.447 407 V N -0.323 119.538 119.914 -0.089 0.000 2.490 407 V HA -0.194 3.925 4.120 -0.001 0.000 0.250 407 V C 2.585 178.625 176.094 -0.089 0.000 1.061 407 V CA 1.551 63.773 62.300 -0.129 0.000 1.064 407 V CB -0.631 31.108 31.823 -0.140 0.000 0.670 407 V HN 0.474 8.664 8.190 -0.000 0.000 0.461 408 K N 0.384 120.764 120.400 -0.033 0.000 2.057 408 K HA -0.125 4.194 4.320 -0.001 0.000 0.206 408 K C 2.117 178.734 176.600 0.029 0.000 1.050 408 K CA 1.276 57.567 56.287 0.007 0.000 0.935 408 K CB -0.341 32.183 32.500 0.040 0.000 0.715 408 K HN 0.455 8.705 8.250 -0.000 0.000 0.439 409 K N 0.633 121.047 120.400 0.023 0.000 2.026 409 K HA -0.077 4.243 4.320 -0.001 0.000 0.208 409 K C 2.156 178.721 176.600 -0.060 0.000 1.048 409 K CA 1.082 57.392 56.287 0.038 0.000 0.929 409 K CB -0.256 32.201 32.500 -0.072 0.000 0.713 409 K HN -0.134 8.116 8.250 -0.000 0.000 0.439 410 V N 1.895 121.739 119.914 -0.116 0.000 2.392 410 V HA -0.270 3.850 4.120 -0.001 0.000 0.249 410 V C 2.354 178.410 176.094 -0.063 0.000 1.059 410 V CA 1.948 64.169 62.300 -0.132 0.000 1.051 410 V CB -0.439 31.261 31.823 -0.205 0.000 0.658 410 V HN 0.421 8.611 8.190 -0.000 0.000 0.455 411 E N -0.035 120.139 120.200 -0.044 0.000 2.077 411 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 411 E C 2.186 178.815 176.600 0.048 0.000 0.989 411 E CA 1.585 57.983 56.400 -0.003 0.000 0.800 411 E CB -0.000 29.695 29.700 -0.008 0.000 0.746 411 E HN 0.434 8.794 8.360 -0.000 0.000 0.452 412 V N 1.369 121.333 119.914 0.084 0.000 2.295 412 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 412 V C 2.414 178.596 176.094 0.147 0.000 1.049 412 V CA 1.745 64.130 62.300 0.142 0.000 1.024 412 V CB -0.411 31.572 31.823 0.267 0.000 0.648 412 V HN 0.352 8.542 8.190 -0.000 0.000 0.447 413 I N -0.197 120.441 120.570 0.112 0.000 2.226 413 I HA -0.300 3.870 4.170 -0.001 0.000 0.245 413 I C 2.659 178.825 176.117 0.083 0.000 1.100 413 I CA 1.751 63.092 61.300 0.068 0.000 1.374 413 I CB -0.369 37.587 38.000 -0.075 0.000 1.057 413 I HN 0.354 8.564 8.210 -0.000 0.000 0.413 414 Q N 1.621 121.468 119.800 0.079 0.000 2.096 414 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 414 Q C 2.037 178.123 176.000 0.143 0.000 0.982 414 Q CA 1.831 57.710 55.803 0.126 0.000 0.850 414 Q CB -0.095 28.719 28.738 0.126 0.000 0.901 414 Q HN 0.325 8.595 8.270 -0.000 0.000 0.422 415 K N -0.350 120.111 120.400 0.102 0.000 2.097 415 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 415 K C 2.046 178.691 176.600 0.076 0.000 1.049 415 K CA 1.398 57.732 56.287 0.079 0.000 0.933 415 K CB -0.142 32.395 32.500 0.061 0.000 0.717 415 K HN 0.294 8.544 8.250 -0.000 0.000 0.442 416 I N -0.231 120.395 120.570 0.094 0.000 2.202 416 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 416 I C 2.266 178.434 176.117 0.085 0.000 1.091 416 I CA 1.108 62.455 61.300 0.078 0.000 1.368 416 I CB -0.275 37.780 38.000 0.091 0.000 1.058 416 I HN 0.128 8.338 8.210 -0.000 0.000 0.410 417 Y N 2.465 122.755 120.300 -0.017 0.000 2.207 417 Y HA -0.282 4.268 4.550 -0.001 0.000 0.287 417 Y C 2.403 178.285 175.900 -0.029 0.000 1.156 417 Y CA 1.598 59.675 58.100 -0.039 0.000 1.182 417 Y CB -0.430 37.999 38.460 -0.051 0.000 0.979 417 Y HN 0.214 8.494 8.280 -0.000 0.000 0.521 418 N N -0.696 118.008 118.700 0.007 0.000 2.149 418 N HA -0.161 4.578 4.740 -0.001 0.000 0.188 418 N C 1.735 177.180 175.510 -0.107 0.000 1.019 418 N CA 1.969 54.978 53.050 -0.069 0.000 0.857 418 N CB -0.709 37.783 38.487 0.010 0.000 0.997 418 N HN 0.386 8.766 8.380 -0.000 0.000 0.426 419 T N 2.030 116.546 114.554 -0.063 0.000 2.737 419 T HA 0.022 4.371 4.350 -0.001 0.000 0.265 419 T C 2.169 176.828 174.700 -0.068 0.000 1.038 419 T CA 0.572 62.646 62.100 -0.043 0.000 1.144 419 T CB -0.236 68.625 68.868 -0.011 0.000 0.866 419 T HN 0.138 8.378 8.240 -0.000 0.000 0.434 420 L N 0.858 122.001 121.223 -0.134 0.000 2.042 420 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 420 L C 2.930 179.673 176.870 -0.212 0.000 1.076 420 L CA 1.255 55.992 54.840 -0.172 0.000 0.749 420 L CB -0.590 41.334 42.059 -0.226 0.000 0.893 420 L HN 0.213 8.443 8.230 -0.000 0.000 0.432 421 E N 0.266 120.243 120.200 -0.371 0.000 2.110 421 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 421 E C 2.043 178.552 176.600 -0.151 0.000 0.988 421 E CA 1.393 57.594 56.400 -0.332 0.000 0.804 421 E CB -0.246 29.194 29.700 -0.434 0.000 0.745 421 E HN 0.522 8.882 8.360 -0.000 0.000 0.458 422 G N 0.490 109.226 108.800 -0.108 0.000 3.026 422 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.208 422 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.208 422 G C 0.725 175.603 174.900 -0.036 0.000 1.169 422 G CA -0.186 44.877 45.100 -0.063 0.000 0.788 422 G HN 0.187 8.477 8.290 -0.000 0.000 0.533 423 H N 0.000 119.013 119.070 -0.095 0.000 2.539 423 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 423 H CA 0.000 56.004 56.048 -0.073 0.000 1.023 423 H CB 0.000 29.716 29.762 -0.076 0.000 1.292 423 H HN 0.000 8.280 8.280 -0.000 0.000 0.496