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 1xx0_1_A DATA FIRST_RESID 234 DATA SEQUENCE DVILKEEFRG VIIKQGCLLK QGHRRKNWKV RKFILREDPA YLHYYDPAGA DATA SEQUENCE EDPLGAIHLR GCVVTSVESN SNGRKSEEEN LFEIITADEV HYFLQAATPK DATA SEQUENCE ERTEWIKAIQ MASRTGK 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 234 D HA 0.000 4.643 4.640 0.005 0.000 0.175 234 D C 0.000 176.305 176.300 0.008 0.000 2.045 234 D CA 0.000 54.003 54.000 0.006 0.000 0.868 234 D CB 0.000 40.802 40.800 0.003 0.000 0.688 235 V N -1.385 118.533 119.914 0.007 0.000 4.614 235 V HA -0.331 3.793 4.120 0.007 0.000 0.246 235 V C -2.036 174.067 176.094 0.016 0.000 0.564 235 V CA 0.850 63.155 62.300 0.009 0.000 0.790 235 V CB -0.013 31.815 31.823 0.008 0.000 0.747 235 V HN 0.093 8.285 8.190 0.004 0.000 1.119 236 I N -0.772 119.809 120.570 0.018 0.000 2.548 236 I HA 0.228 4.416 4.170 0.031 0.000 0.287 236 I C -1.216 174.920 176.117 0.031 0.000 1.103 236 I CA -0.646 60.669 61.300 0.025 0.000 1.049 236 I CB 0.876 38.888 38.000 0.021 0.000 1.232 236 I HN -0.689 7.503 8.210 0.014 0.026 0.429 237 L N 2.647 123.900 121.223 0.050 0.000 2.305 237 L HA 0.517 4.889 4.340 0.054 0.000 0.261 237 L C -1.140 175.782 176.870 0.087 0.000 1.100 237 L CA -1.848 53.036 54.840 0.073 0.000 1.073 237 L CB 1.397 43.512 42.059 0.094 0.000 1.656 237 L HN -0.056 8.208 8.230 0.056 0.000 0.536 238 K N -0.160 120.324 120.400 0.141 0.000 2.511 238 K HA -0.186 4.133 4.320 -0.003 0.000 0.280 238 K C 1.709 178.293 176.600 -0.026 0.000 1.008 238 K CA 0.801 57.121 56.287 0.054 0.000 1.050 238 K CB 0.577 33.126 32.500 0.081 0.000 0.889 238 K HN -0.003 8.366 8.250 0.198 0.000 0.484 239 E N 5.931 126.076 120.200 -0.091 0.000 2.209 239 E HA -0.355 3.993 4.350 -0.003 0.000 0.196 239 E C 1.994 178.513 176.600 -0.136 0.000 0.993 239 E CA 3.150 59.510 56.400 -0.067 0.000 0.819 239 E CB 0.059 29.736 29.700 -0.038 0.000 0.745 239 E HN 0.730 9.035 8.360 -0.092 0.000 0.477 240 E N -2.137 117.806 120.200 -0.428 0.000 2.118 240 E HA -0.278 3.834 4.350 -0.397 0.000 0.195 240 E C 1.163 177.537 176.600 -0.378 0.000 0.992 240 E CA 2.640 58.682 56.400 -0.596 0.000 0.804 240 E CB -0.233 28.834 29.700 -1.055 0.000 0.741 240 E HN 0.363 8.401 8.360 -0.488 0.030 0.458 241 F N -6.237 113.719 119.950 0.011 0.000 2.695 241 F HA 0.233 4.771 4.527 0.019 0.000 0.303 241 F C 0.034 175.845 175.800 0.019 0.000 1.091 241 F CA -0.473 57.525 58.000 -0.003 0.000 1.300 241 F CB 0.089 39.050 39.000 -0.064 0.000 1.071 241 F HN -0.346 7.620 8.300 -0.312 0.147 0.578 242 R N -2.009 118.572 120.500 0.135 0.000 2.316 242 R HA -0.170 4.234 4.340 0.106 0.000 0.202 242 R C 0.596 176.953 176.300 0.096 0.000 1.029 242 R CA 0.915 57.076 56.100 0.102 0.000 1.018 242 R CB -0.050 30.291 30.300 0.069 0.000 0.888 242 R HN -0.730 7.387 8.270 0.067 0.193 0.471 243 G N -2.395 106.473 108.800 0.114 0.000 2.388 243 G HA2 0.224 4.354 3.960 0.083 0.000 0.330 243 G HA3 0.224 4.509 3.960 0.111 -0.258 0.330 243 G C -1.810 173.160 174.900 0.116 0.000 1.142 243 G CA -1.290 43.873 45.100 0.105 0.000 0.908 243 G HN -0.874 7.432 8.290 0.128 0.062 0.473 244 V N 4.561 124.526 119.914 0.086 0.000 2.924 244 V HA -0.071 4.100 4.120 0.085 0.000 0.305 244 V C 0.473 176.620 176.094 0.090 0.000 1.073 244 V CA 0.086 62.433 62.300 0.078 0.000 1.098 244 V CB 1.328 33.181 31.823 0.049 0.000 1.000 244 V HN 0.256 8.488 8.190 0.070 0.000 0.484 245 I N 5.270 125.895 120.570 0.091 0.000 2.821 245 I HA -0.213 4.286 4.170 0.142 -0.243 0.294 245 I C 0.465 176.618 176.117 0.060 0.000 1.210 245 I CA 1.802 63.162 61.300 0.099 0.000 1.430 245 I CB -0.281 37.770 38.000 0.086 0.000 1.356 245 I HN 0.183 8.441 8.210 0.080 0.000 0.563 246 I N 7.339 127.942 120.570 0.054 0.000 2.810 246 I HA 0.030 4.192 4.170 -0.012 0.000 0.262 246 I C -0.022 176.053 176.117 -0.070 0.000 1.131 246 I CA 0.219 61.513 61.300 -0.010 0.000 1.453 246 I CB 0.695 38.682 38.000 -0.021 0.000 1.161 246 I HN 0.667 8.802 8.210 0.095 0.132 0.444 247 K N -1.875 118.481 120.400 -0.072 0.000 2.570 247 K HA 0.200 4.445 4.320 -0.125 0.000 0.256 247 K C -2.472 174.141 176.600 0.021 0.000 0.939 247 K CA -0.155 56.018 56.287 -0.189 0.000 0.833 247 K CB 2.831 34.977 32.500 -0.589 0.000 1.318 247 K HN -0.651 7.609 8.250 0.015 0.000 0.433 248 Q N 3.239 123.152 119.800 0.187 0.000 2.372 248 Q HA 1.087 6.094 4.340 0.701 -0.246 0.273 248 Q C -0.777 175.547 176.000 0.541 0.000 1.078 248 Q CA -1.901 54.173 55.803 0.453 0.000 0.806 248 Q CB 3.100 32.015 28.738 0.296 0.000 1.332 248 Q HN 0.136 8.467 8.270 0.102 0.000 0.435 249 G N 0.228 109.419 108.800 0.651 0.000 2.442 249 G HA2 0.098 4.253 3.960 0.324 0.000 0.296 249 G HA3 0.098 4.379 3.960 0.535 0.000 0.296 249 G C -2.144 172.932 174.900 0.294 0.000 1.564 249 G CA 0.523 45.894 45.100 0.452 0.000 0.828 249 G HN 0.578 9.183 8.290 0.708 0.109 0.571 250 C N 2.345 121.771 119.300 0.209 0.000 2.637 250 C HA 0.292 5.117 4.460 0.285 -0.194 0.418 250 C C -0.276 174.755 174.990 0.069 0.000 1.319 250 C CA 1.123 60.254 59.018 0.188 0.000 1.949 250 C CB 0.662 28.492 27.740 0.150 0.000 2.639 250 C HN 0.357 8.703 8.230 0.194 0.000 0.594 251 L N 1.694 122.977 121.223 0.100 0.000 2.303 251 L HA 0.371 4.602 4.340 -0.182 0.000 0.256 251 L C -1.750 175.129 176.870 0.014 0.000 1.034 251 L CA -1.861 52.878 54.840 -0.167 0.000 0.832 251 L CB 4.280 45.881 42.059 -0.762 0.000 1.403 251 L HN 0.750 9.207 8.230 0.377 0.000 0.419 252 L N 0.390 121.590 121.223 -0.037 0.000 2.257 252 L HA 0.614 5.389 4.340 0.221 -0.303 0.290 252 L C -1.019 176.064 176.870 0.355 0.000 1.044 252 L CA -1.021 53.925 54.840 0.177 0.000 0.810 252 L CB 0.494 42.600 42.059 0.079 0.000 1.193 252 L HN 0.707 8.732 8.230 -0.150 0.115 0.425 253 K N 4.706 125.314 120.400 0.348 0.000 2.263 253 K HA 0.393 4.830 4.320 0.196 0.000 0.272 253 K C -0.744 175.837 176.600 -0.032 0.000 1.033 253 K CA -1.812 54.601 56.287 0.210 0.000 0.884 253 K CB 1.912 34.526 32.500 0.190 0.000 1.107 253 K HN 0.793 9.125 8.250 0.310 0.105 0.460 254 Q N 9.941 129.472 119.800 -0.448 0.000 2.244 254 Q HA -0.191 3.448 4.340 -1.462 -0.176 0.276 254 Q C -0.462 175.202 176.000 -0.562 0.000 1.122 254 Q CA 0.821 55.998 55.803 -1.043 0.000 0.920 254 Q CB 0.164 28.138 28.738 -1.273 0.000 1.186 254 Q HN -0.143 7.986 8.270 -0.235 0.000 0.393 255 G N 7.134 115.636 108.800 -0.496 0.000 3.025 255 G HA2 0.339 3.974 3.960 -0.542 0.000 0.305 255 G HA3 0.339 4.128 3.960 -0.286 0.000 0.305 255 G C -1.252 173.444 174.900 -0.341 0.000 1.568 255 G CA 0.189 45.039 45.100 -0.416 0.000 0.916 255 G HN 0.478 8.458 8.290 -0.516 0.000 0.502 256 H N 2.395 121.340 119.070 -0.207 0.000 3.563 256 H HA 0.201 4.948 4.556 -0.149 -0.280 0.219 256 H C -0.502 174.765 175.328 -0.102 0.000 1.771 256 H CA -0.596 55.358 56.048 -0.157 0.000 1.458 256 H CB -2.247 27.415 29.762 -0.167 0.000 1.796 256 H HN 0.164 7.788 8.280 -1.093 0.000 0.652 257 R N 2.671 123.152 120.500 -0.030 0.000 2.087 257 R HA 0.023 4.370 4.340 0.013 0.000 0.213 257 R C 0.717 177.021 176.300 0.006 0.000 1.137 257 R CA 1.315 57.409 56.100 -0.010 0.000 1.022 257 R CB 1.400 31.678 30.300 -0.036 0.000 0.920 257 R HN 0.412 8.571 8.270 -0.072 0.068 0.451 258 R N -3.729 116.771 120.500 0.000 0.000 2.562 258 R HA 0.055 4.400 4.340 0.009 0.000 0.191 258 R C 0.475 176.781 176.300 0.011 0.000 0.835 258 R CA 0.109 56.213 56.100 0.007 0.000 1.036 258 R CB 1.375 31.680 30.300 0.007 0.000 1.437 258 R HN 0.322 8.585 8.270 -0.012 0.000 0.654 259 K N -1.091 119.314 120.400 0.009 0.000 2.632 259 K HA 0.252 4.589 4.320 0.028 0.000 0.267 259 K C -0.353 176.248 176.600 0.001 0.000 1.028 259 K CA -1.667 54.633 56.287 0.021 0.000 1.045 259 K CB 0.874 33.398 32.500 0.040 0.000 1.400 259 K HN -0.364 7.886 8.250 0.001 0.000 0.522 260 N N -0.118 118.591 118.700 0.015 0.000 2.591 260 N HA 0.080 4.751 4.740 -0.116 0.000 0.200 260 N C -0.991 174.358 175.510 -0.269 0.000 1.040 260 N CA 1.106 54.106 53.050 -0.082 0.000 0.911 260 N CB 1.700 40.210 38.487 0.038 0.000 1.259 260 N HN 0.413 8.836 8.380 0.071 0.000 0.438 261 W N -3.046 118.252 121.300 -0.003 0.000 2.656 261 W HA 0.508 5.325 4.660 -0.015 -0.166 0.327 261 W C -0.569 175.951 176.519 0.002 0.000 1.041 261 W CA -1.228 56.112 57.345 -0.007 0.000 1.229 261 W CB 2.226 31.681 29.460 -0.007 0.000 1.397 261 W HN -0.436 7.902 8.180 0.265 0.000 0.479 262 K N 1.930 122.454 120.400 0.208 0.000 2.208 262 K HA 0.357 4.756 4.320 0.131 0.000 0.247 262 K C -1.292 175.413 176.600 0.175 0.000 0.953 262 K CA -1.598 54.775 56.287 0.144 0.000 0.837 262 K CB 3.101 35.643 32.500 0.071 0.000 1.131 262 K HN 0.460 8.710 8.250 0.188 0.112 0.431 263 V N 3.031 123.028 119.914 0.138 0.000 2.320 263 V HA 0.310 4.700 4.120 0.158 -0.175 0.265 263 V C -0.100 176.081 176.094 0.145 0.000 1.048 263 V CA -0.762 61.621 62.300 0.139 0.000 0.865 263 V CB -1.222 30.662 31.823 0.102 0.000 1.043 263 V HN 0.416 8.674 8.190 0.113 0.000 0.474 264 R N 5.561 126.185 120.500 0.206 0.000 2.795 264 R HA 0.432 4.873 4.340 0.135 -0.020 0.275 264 R C -2.287 174.155 176.300 0.237 0.000 0.981 264 R CA -2.107 54.094 56.100 0.168 0.000 0.917 264 R CB 5.009 35.349 30.300 0.068 0.000 1.202 264 R HN 0.282 8.720 8.270 0.280 0.000 0.469 265 K N 2.413 122.929 120.400 0.193 0.000 2.349 265 K HA 0.089 4.590 4.320 0.301 0.000 0.288 265 K C -1.179 175.579 176.600 0.262 0.000 1.058 265 K CA 0.149 56.603 56.287 0.279 0.000 0.953 265 K CB 0.902 33.568 32.500 0.277 0.000 0.997 265 K HN 0.522 8.785 8.250 0.171 0.089 0.477 266 F N 7.286 127.371 119.950 0.226 0.000 2.385 266 F HA 0.775 5.724 4.527 0.267 -0.261 0.360 266 F C -0.431 175.659 175.800 0.483 0.000 1.122 266 F CA -1.201 56.952 58.000 0.256 0.000 1.090 266 F CB 1.672 40.650 39.000 -0.036 0.000 1.150 266 F HN 0.508 9.014 8.300 0.535 0.115 0.472 267 I N 3.641 124.587 120.570 0.626 0.000 2.378 267 I HA 0.340 4.997 4.170 0.578 -0.140 0.291 267 I C -1.622 174.819 176.117 0.541 0.000 0.992 267 I CA -1.183 60.467 61.300 0.583 0.000 1.154 267 I CB 2.530 40.839 38.000 0.515 0.000 1.315 267 I HN 0.949 9.367 8.210 0.514 0.100 0.448 268 L N 7.516 129.005 121.223 0.443 0.000 2.360 268 L HA 0.430 5.006 4.340 0.393 0.000 0.271 268 L C -1.595 175.436 176.870 0.268 0.000 1.057 268 L CA -1.619 53.428 54.840 0.346 0.000 0.803 268 L CB 3.299 45.491 42.059 0.223 0.000 1.207 268 L HN 0.836 9.190 8.230 0.385 0.107 0.445 269 R N 0.321 120.971 120.500 0.250 0.000 2.566 269 R HA 0.521 5.149 4.340 0.167 -0.188 0.271 269 R C -1.406 174.988 176.300 0.156 0.000 1.071 269 R CA -1.023 55.205 56.100 0.212 0.000 0.915 269 R CB 4.393 34.864 30.300 0.285 0.000 1.228 269 R HN -0.003 8.410 8.270 0.238 0.000 0.449 270 E N 1.438 121.703 120.200 0.109 0.000 2.803 270 E HA 0.245 4.631 4.350 0.059 0.000 0.250 270 E C -0.308 176.344 176.600 0.086 0.000 1.102 270 E CA -1.210 55.233 56.400 0.073 0.000 1.017 270 E CB 2.502 32.226 29.700 0.039 0.000 1.346 270 E HN -0.252 8.170 8.360 0.104 0.000 0.532 271 D N -2.923 117.511 120.400 0.058 0.000 3.621 271 D HA -0.215 4.451 4.640 0.042 0.000 0.218 271 D C -1.888 174.452 176.300 0.066 0.000 0.921 271 D CA 3.773 57.810 54.000 0.061 0.000 2.207 271 D CB -2.499 38.346 40.800 0.074 0.000 1.206 271 D HN 0.385 8.776 8.370 0.036 0.000 0.525 272 P HA 0.097 4.559 4.420 0.070 0.000 0.264 272 P C -2.071 175.195 177.300 -0.058 0.000 1.259 272 P CA 0.092 63.261 63.100 0.115 0.000 0.841 272 P CB 0.807 32.705 31.700 0.330 0.000 1.232 273 A N -4.495 118.312 122.820 -0.022 0.000 1.856 273 A HA -0.308 4.154 4.320 -0.019 -0.153 0.234 273 A C -2.199 175.184 177.584 -0.335 0.000 1.328 273 A CA 0.684 52.645 52.037 -0.126 0.000 0.673 273 A CB -1.785 17.109 19.000 -0.177 0.000 1.190 273 A HN -0.277 7.825 8.150 0.077 0.095 0.248 274 Y N 1.272 121.569 120.300 -0.006 0.000 2.332 274 Y HA 0.629 5.341 4.550 -0.114 -0.230 0.325 274 Y C -1.083 174.737 175.900 -0.133 0.000 1.054 274 Y CA -1.132 56.899 58.100 -0.115 0.000 1.119 274 Y CB 3.389 41.738 38.460 -0.185 0.000 1.168 274 Y HN 0.234 8.602 8.280 0.145 0.000 0.439 275 L N 3.596 124.804 121.223 -0.025 0.000 2.334 275 L HA 0.308 4.787 4.340 0.233 0.000 0.277 275 L C -1.622 175.106 176.870 -0.236 0.000 1.075 275 L CA -1.147 53.737 54.840 0.073 0.000 0.804 275 L CB 2.170 44.362 42.059 0.221 0.000 1.174 275 L HN -0.005 8.198 8.230 -0.045 0.000 0.438 276 H N 4.819 123.897 119.070 0.014 0.000 2.600 276 H HA 0.687 4.980 4.556 -0.710 -0.163 0.357 276 H C -0.745 174.163 175.328 -0.700 0.000 1.106 276 H CA -1.669 54.116 56.048 -0.438 0.000 1.193 276 H CB 3.822 33.434 29.762 -0.250 0.000 1.594 276 H HN 0.411 8.876 8.280 0.308 0.000 0.526 277 Y N -1.317 118.497 120.300 -0.810 0.000 2.409 277 Y HA 0.948 5.059 4.550 -1.121 -0.234 0.343 277 Y C -2.110 173.242 175.900 -0.915 0.000 0.973 277 Y CA -3.338 54.108 58.100 -1.090 0.000 1.064 277 Y CB 1.647 39.323 38.460 -1.306 0.000 1.207 277 Y HN -0.223 7.011 8.280 -1.744 0.000 0.452 278 Y N -1.058 119.182 120.300 -0.099 0.000 2.499 278 Y HA 0.391 4.987 4.550 -0.005 -0.050 0.347 278 Y C -1.463 174.436 175.900 -0.001 0.000 0.987 278 Y CA -1.629 56.457 58.100 -0.023 0.000 1.044 278 Y CB 3.846 42.297 38.460 -0.015 0.000 1.245 278 Y HN 0.886 8.972 8.280 -0.135 0.114 0.461 279 D N 0.420 120.919 120.400 0.164 0.000 2.225 279 D HA 0.414 5.111 4.640 0.095 0.000 0.248 279 D C -0.166 176.195 176.300 0.102 0.000 1.096 279 D CA -3.075 50.989 54.000 0.107 0.000 0.863 279 D CB 2.812 43.659 40.800 0.078 0.000 1.156 279 D HN 0.337 8.710 8.370 0.179 0.105 0.450 280 P HA -0.056 4.406 4.420 0.071 0.000 0.225 280 P C -0.375 176.956 177.300 0.053 0.000 1.156 280 P CA 1.477 64.620 63.100 0.072 0.000 0.787 280 P CB 0.407 32.151 31.700 0.074 0.000 0.802 281 A N -3.084 119.766 122.820 0.051 0.000 2.220 281 A HA 0.104 4.445 4.320 0.035 0.000 0.211 281 A C -0.195 177.410 177.584 0.035 0.000 1.176 281 A CA 0.178 52.239 52.037 0.039 0.000 0.834 281 A CB 1.208 20.231 19.000 0.038 0.000 0.868 281 A HN -0.087 8.312 8.150 0.058 -0.214 0.488 282 G N -2.937 105.888 108.800 0.041 0.000 3.813 282 G HA2 -0.128 3.850 3.960 0.030 0.000 0.234 282 G HA3 -0.128 3.850 3.960 0.030 0.000 0.234 282 G C -1.888 173.040 174.900 0.046 0.000 3.831 282 G CA 0.481 45.603 45.100 0.036 0.000 0.585 282 G HN -0.675 7.724 8.290 0.051 -0.078 0.267 283 A N 0.364 123.222 122.820 0.063 0.000 2.881 283 A HA 0.259 4.619 4.320 0.067 0.000 0.265 283 A C -1.687 175.981 177.584 0.141 0.000 1.297 283 A CA 0.352 52.440 52.037 0.086 0.000 0.989 283 A CB 0.753 19.805 19.000 0.086 0.000 1.421 283 A HN -0.292 7.897 8.150 0.065 0.000 0.688 284 E N -0.297 119.955 120.200 0.087 0.000 2.481 284 E HA -0.158 4.239 4.350 0.078 0.000 0.195 284 E C -0.836 175.828 176.600 0.107 0.000 1.047 284 E CA 1.233 57.658 56.400 0.041 0.000 0.867 284 E CB -0.045 29.609 29.700 -0.077 0.000 0.858 284 E HN 0.435 8.823 8.360 0.047 0.000 0.513 285 D N 0.611 121.089 120.400 0.131 0.000 2.425 285 D HA 0.123 4.821 4.640 0.096 0.000 0.247 285 D C -1.968 174.483 176.300 0.251 0.000 1.147 285 D CA -1.637 52.447 54.000 0.141 0.000 0.879 285 D CB 0.411 41.253 40.800 0.070 0.000 1.179 285 D HN -0.571 7.808 8.370 0.090 0.046 0.456 286 P HA -0.066 4.157 4.420 -0.328 0.000 0.269 286 P C -0.477 176.784 177.300 -0.064 0.000 1.263 286 P CA -0.117 63.001 63.100 0.031 0.000 0.813 286 P CB 0.374 32.197 31.700 0.205 0.000 0.868 287 L N 2.285 123.425 121.223 -0.138 0.000 2.191 287 L HA -0.201 4.152 4.340 0.021 0.000 0.212 287 L C 0.334 177.170 176.870 -0.056 0.000 1.103 287 L CA 1.420 56.245 54.840 -0.024 0.000 0.769 287 L CB -0.044 42.080 42.059 0.109 0.000 0.908 287 L HN -0.305 7.798 8.230 -0.212 0.000 0.438 288 G N -4.832 103.750 108.800 -0.363 0.000 2.466 288 G HA2 0.066 3.936 3.960 -0.150 0.000 0.291 288 G HA3 0.066 3.971 3.960 -0.092 0.000 0.291 288 G C -3.231 171.249 174.900 -0.701 0.000 1.460 288 G CA -0.270 44.630 45.100 -0.333 0.000 0.791 288 G HN -0.891 6.981 8.290 -0.650 0.029 0.505 289 A N -0.707 121.882 122.820 -0.385 0.000 2.355 289 A HA 0.955 4.975 4.320 -0.823 -0.193 0.317 289 A C -0.831 176.692 177.584 -0.101 0.000 1.094 289 A CA -1.911 49.846 52.037 -0.467 0.000 0.764 289 A CB 2.598 21.312 19.000 -0.477 0.000 1.230 289 A HN 0.050 8.089 8.150 -0.184 0.000 0.448 290 I N 2.202 122.713 120.570 -0.099 0.000 2.395 290 I HA 0.007 4.212 4.170 0.059 0.000 0.289 290 I C -0.988 175.158 176.117 0.050 0.000 1.023 290 I CA -0.268 61.029 61.300 -0.005 0.000 1.350 290 I CB 1.685 39.602 38.000 -0.138 0.000 1.409 290 I HN 0.555 8.503 8.210 -0.246 0.115 0.507 291 H N 8.684 127.738 119.070 -0.027 0.000 3.014 291 H HA 0.078 4.286 4.556 -0.579 0.000 0.266 291 H C -0.252 174.941 175.328 -0.225 0.000 1.455 291 H CA -0.607 55.314 56.048 -0.212 0.000 1.402 291 H CB -0.678 29.065 29.762 -0.033 0.000 1.626 291 H HN 0.473 8.907 8.280 0.256 0.000 0.520 292 L N 3.927 124.896 121.223 -0.424 0.000 2.240 292 L HA -0.150 4.071 4.340 -0.198 0.000 0.211 292 L C 0.278 176.908 176.870 -0.401 0.000 1.106 292 L CA 0.976 55.630 54.840 -0.309 0.000 0.793 292 L CB 0.334 42.275 42.059 -0.195 0.000 0.927 292 L HN -0.096 7.806 8.230 -0.547 0.000 0.446 293 R N 0.976 121.123 120.500 -0.589 0.000 2.633 293 R HA -0.460 3.708 4.340 -0.287 0.000 0.357 293 R C 0.589 176.603 176.300 -0.477 0.000 0.923 293 R CA 1.681 57.497 56.100 -0.474 0.000 1.046 293 R CB -0.909 29.162 30.300 -0.381 0.000 0.924 293 R HN -0.804 7.053 8.270 -0.689 0.000 0.413 294 G N 4.626 113.269 108.800 -0.261 0.000 2.144 294 G HA2 -0.369 3.517 3.960 -0.123 0.000 0.218 294 G HA3 -0.369 3.482 3.960 -0.182 0.000 0.218 294 G C -0.872 173.933 174.900 -0.158 0.000 0.988 294 G CA -0.251 44.740 45.100 -0.181 0.000 0.659 294 G HN 0.216 8.383 8.290 -0.206 0.000 0.522 295 C N -0.278 118.922 119.300 -0.167 0.000 2.405 295 C HA 0.768 5.366 4.460 -0.107 -0.202 0.365 295 C C 0.070 175.019 174.990 -0.069 0.000 1.233 295 C CA -1.509 57.443 59.018 -0.111 0.000 2.230 295 C CB 2.145 29.830 27.740 -0.092 0.000 2.443 295 C HN 0.005 7.973 8.230 -0.201 0.142 0.556 296 V N 4.310 124.191 119.914 -0.054 0.000 2.667 296 V HA 0.266 4.372 4.120 -0.024 0.000 0.308 296 V C -1.375 174.717 176.094 -0.003 0.000 1.048 296 V CA -1.569 60.713 62.300 -0.029 0.000 0.928 296 V CB 2.563 34.368 31.823 -0.031 0.000 1.004 296 V HN 0.762 8.804 8.190 -0.070 0.107 0.444 297 V N 3.869 123.798 119.914 0.024 0.000 2.769 297 V HA 1.011 5.378 4.120 0.072 -0.204 0.312 297 V C -0.110 176.018 176.094 0.056 0.000 1.058 297 V CA -2.595 59.746 62.300 0.069 0.000 0.952 297 V CB 2.465 34.358 31.823 0.117 0.000 1.019 297 V HN 0.192 8.391 8.190 0.015 0.000 0.445 298 T N 4.503 119.102 114.554 0.075 0.000 2.956 298 T HA 0.226 4.604 4.350 0.048 0.000 0.312 298 T C -1.459 173.292 174.700 0.085 0.000 1.151 298 T CA -1.380 60.755 62.100 0.058 0.000 1.024 298 T CB 2.140 71.029 68.868 0.035 0.000 1.140 298 T HN 0.201 8.507 8.240 0.110 0.000 0.473 299 S N 7.468 123.209 115.700 0.069 0.000 2.405 299 S HA 0.004 4.544 4.470 0.117 0.000 0.291 299 S C -0.207 174.434 174.600 0.069 0.000 1.137 299 S CA -0.239 58.008 58.200 0.078 0.000 1.061 299 S CB -0.032 63.198 63.200 0.050 0.000 1.001 299 S HN 0.273 8.613 8.310 0.051 0.000 0.507 300 V N 8.032 127.996 119.914 0.083 0.000 2.572 300 V HA -0.040 4.122 4.120 0.070 0.000 0.291 300 V C 1.453 177.592 176.094 0.074 0.000 1.039 300 V CA 0.419 62.767 62.300 0.081 0.000 1.055 300 V CB 0.338 32.226 31.823 0.108 0.000 0.969 300 V HN -0.290 7.966 8.190 0.110 0.000 0.482 301 E N 6.910 127.149 120.200 0.066 0.000 2.335 301 E HA -0.204 4.172 4.350 0.044 0.000 0.191 301 E C -0.848 175.784 176.600 0.053 0.000 1.150 301 E CA -0.564 55.867 56.400 0.051 0.000 1.001 301 E CB -1.666 28.059 29.700 0.043 0.000 1.127 301 E HN 0.464 8.865 8.360 0.068 0.000 0.462 302 S N -0.156 115.583 115.700 0.066 0.000 3.530 302 S HA -0.316 4.289 4.470 0.077 -0.088 0.472 302 S C -0.088 174.555 174.600 0.071 0.000 0.818 302 S CA 0.293 58.532 58.200 0.064 0.000 1.367 302 S CB -0.247 62.974 63.200 0.035 0.000 0.912 302 S HN -0.331 7.882 8.310 0.075 0.142 0.672 303 N N -0.350 118.412 118.700 0.104 0.000 2.441 303 N HA -0.180 4.599 4.740 0.066 0.000 0.225 303 N C 0.000 175.555 175.510 0.075 0.000 1.208 303 N CA 0.051 53.155 53.050 0.090 0.000 0.847 303 N CB -0.457 38.102 38.487 0.119 0.000 1.121 303 N HN 0.068 8.533 8.380 0.142 0.000 0.479 304 S N 2.022 117.763 115.700 0.069 0.000 3.530 304 S HA -0.027 4.573 4.470 0.068 -0.090 0.279 304 S C -0.960 173.661 174.600 0.035 0.000 1.280 304 S CA -0.377 57.858 58.200 0.059 0.000 0.946 304 S CB -0.546 62.688 63.200 0.057 0.000 1.501 304 S HN 0.049 8.259 8.310 0.066 0.140 0.498 305 N N 5.077 123.791 118.700 0.024 0.000 2.421 305 N HA 0.087 4.835 4.740 0.014 0.000 0.285 305 N C -0.140 175.372 175.510 0.004 0.000 1.027 305 N CA -1.005 52.052 53.050 0.012 0.000 0.918 305 N CB 0.882 39.374 38.487 0.008 0.000 1.152 305 N HN -0.578 7.792 8.380 0.023 0.024 0.485 306 G N 1.801 110.604 108.800 0.004 0.000 2.383 306 G HA2 -0.466 3.492 3.960 -0.002 0.000 0.229 306 G HA3 -0.466 3.490 3.960 -0.007 0.000 0.229 306 G C -0.662 174.239 174.900 0.002 0.000 1.089 306 G CA 0.919 46.018 45.100 -0.001 0.000 0.640 306 G HN 0.551 8.844 8.290 0.006 0.000 0.510 307 R N 0.302 120.808 120.500 0.009 0.000 2.603 307 R HA 0.272 4.618 4.340 0.010 0.000 0.225 307 R C -0.751 175.561 176.300 0.019 0.000 1.300 307 R CA -0.967 55.143 56.100 0.016 0.000 1.075 307 R CB 1.211 31.527 30.300 0.028 0.000 1.663 307 R HN -0.067 8.109 8.270 0.012 0.101 0.546 308 K N 1.235 121.649 120.400 0.024 0.000 2.202 308 K HA -0.015 4.313 4.320 0.014 0.000 0.264 308 K C 0.449 177.063 176.600 0.023 0.000 1.010 308 K CA -0.519 55.780 56.287 0.020 0.000 0.940 308 K CB 0.431 32.943 32.500 0.019 0.000 0.983 308 K HN 0.125 8.391 8.250 0.027 0.000 0.475 309 S N 3.770 119.477 115.700 0.011 0.000 3.716 309 S HA -0.143 4.335 4.470 0.013 0.000 0.254 309 S C -0.268 174.320 174.600 -0.020 0.000 1.209 309 S CA 0.879 59.080 58.200 0.002 0.000 1.026 309 S CB -1.348 61.849 63.200 -0.005 0.000 1.625 309 S HN 0.387 8.701 8.310 0.007 0.000 0.500 310 E N 2.733 122.928 120.200 -0.008 0.000 2.086 310 E HA -0.065 4.231 4.350 -0.090 0.000 0.190 310 E C 0.183 176.652 176.600 -0.218 0.000 0.975 310 E CA 1.272 57.630 56.400 -0.071 0.000 0.813 310 E CB 0.619 30.346 29.700 0.046 0.000 0.768 310 E HN 0.229 8.558 8.360 0.033 0.050 0.457 311 E N 0.447 120.591 120.200 -0.094 0.000 1.814 311 E HA -0.012 4.311 4.350 -0.402 -0.214 0.264 311 E C -0.398 176.158 176.600 -0.073 0.000 1.179 311 E CA 0.042 56.370 56.400 -0.120 0.000 0.972 311 E CB -1.607 28.184 29.700 0.152 0.000 1.077 311 E HN -0.586 7.793 8.360 0.032 0.000 0.417 312 E N 4.475 124.595 120.200 -0.133 0.000 2.176 312 E HA 0.171 4.504 4.350 -0.030 0.000 0.194 312 E C 1.317 177.892 176.600 -0.043 0.000 0.947 312 E CA 1.046 57.407 56.400 -0.066 0.000 0.960 312 E CB 1.389 31.047 29.700 -0.070 0.000 1.002 312 E HN 0.506 9.010 8.360 -0.235 -0.285 0.479 313 N N 0.503 119.161 118.700 -0.069 0.000 2.843 313 N HA -0.008 4.741 4.740 0.015 0.000 0.284 313 N C -1.265 174.261 175.510 0.027 0.000 1.274 313 N CA -0.657 52.385 53.050 -0.014 0.000 1.045 313 N CB -1.417 37.060 38.487 -0.018 0.000 1.370 313 N HN -0.135 8.231 8.380 -0.117 -0.056 0.525 314 L N 1.707 122.942 121.223 0.020 0.000 2.367 314 L HA 0.368 4.878 4.340 -0.035 -0.191 0.275 314 L C -1.554 175.415 176.870 0.165 0.000 1.129 314 L CA -0.317 54.554 54.840 0.052 0.000 0.839 314 L CB 1.183 43.312 42.059 0.116 0.000 1.133 314 L HN -0.621 7.510 8.230 0.012 0.106 0.453 315 F N 2.847 122.793 119.950 -0.007 0.000 2.529 315 F HA 0.783 5.410 4.527 -0.024 -0.115 0.320 315 F C -2.446 173.315 175.800 -0.065 0.000 1.118 315 F CA -3.269 54.717 58.000 -0.023 0.000 0.915 315 F CB 3.203 42.202 39.000 -0.002 0.000 1.161 315 F HN 0.706 8.947 8.300 -0.099 0.000 0.445 316 E N 3.139 123.262 120.200 -0.128 0.000 2.204 316 E HA 0.710 4.958 4.350 -0.506 -0.202 0.276 316 E C -1.517 175.020 176.600 -0.104 0.000 0.974 316 E CA -2.744 53.459 56.400 -0.328 0.000 0.815 316 E CB 3.831 33.253 29.700 -0.463 0.000 1.119 316 E HN 0.120 8.491 8.360 0.019 0.000 0.393 317 I N 4.863 125.378 120.570 -0.092 0.000 2.382 317 I HA 0.245 4.576 4.170 0.050 -0.131 0.285 317 I C -0.734 175.384 176.117 0.000 0.000 1.007 317 I CA -1.016 60.303 61.300 0.032 0.000 1.142 317 I CB 1.511 39.578 38.000 0.111 0.000 1.289 317 I HN 0.561 8.565 8.210 -0.152 0.114 0.453 318 I N 9.506 130.032 120.570 -0.074 0.000 2.276 318 I HA 0.501 4.691 4.170 -0.317 -0.210 0.290 318 I C 0.408 176.449 176.117 -0.127 0.000 1.109 318 I CA -1.442 59.734 61.300 -0.207 0.000 1.229 318 I CB -0.716 37.119 38.000 -0.275 0.000 1.452 318 I HN 1.310 9.381 8.210 -0.045 0.112 0.497 319 T N 5.174 119.692 114.554 -0.059 0.000 2.795 319 T HA -0.025 4.289 4.350 -0.060 0.000 0.314 319 T C 1.118 175.778 174.700 -0.067 0.000 1.069 319 T CA -0.404 61.679 62.100 -0.028 0.000 1.071 319 T CB 0.659 69.589 68.868 0.103 0.000 0.988 319 T HN 0.108 8.332 8.240 -0.026 0.000 0.543 320 A N 2.206 124.977 122.820 -0.081 0.000 2.125 320 A HA -0.221 4.063 4.320 -0.060 0.000 0.219 320 A C -0.108 177.490 177.584 0.023 0.000 1.156 320 A CA 2.419 54.429 52.037 -0.045 0.000 0.671 320 A CB -0.438 18.520 19.000 -0.070 0.000 0.794 320 A HN 0.683 8.737 8.150 -0.160 0.000 0.459 321 D N -3.666 116.776 120.400 0.070 0.000 2.349 321 D HA -0.022 4.659 4.640 0.069 0.000 0.224 321 D C -0.628 175.676 176.300 0.007 0.000 1.029 321 D CA 0.385 54.426 54.000 0.069 0.000 0.879 321 D CB -0.220 40.650 40.800 0.116 0.000 0.906 321 D HN -0.197 8.172 8.370 0.091 0.055 0.528 322 E N -5.616 114.557 120.200 -0.044 0.000 2.957 322 E HA -0.458 3.836 4.350 -0.164 -0.043 0.287 322 E C -1.397 175.119 176.600 -0.140 0.000 0.976 322 E CA 0.918 57.258 56.400 -0.100 0.000 0.907 322 E CB -2.439 27.244 29.700 -0.027 0.000 1.456 322 E HN -0.017 8.098 8.360 -0.047 0.217 0.421 323 V N -0.387 119.432 119.914 -0.158 0.000 2.394 323 V HA 0.136 4.192 4.120 -0.106 0.000 0.282 323 V C -0.918 174.993 176.094 -0.306 0.000 1.031 323 V CA -1.037 61.140 62.300 -0.205 0.000 0.881 323 V CB 1.304 32.968 31.823 -0.265 0.000 0.982 323 V HN -0.571 7.523 8.190 -0.108 0.031 0.451 324 H N 7.495 126.459 119.070 -0.177 0.000 2.705 324 H HA 0.152 4.763 4.556 -0.138 -0.138 0.291 324 H C -0.691 174.522 175.328 -0.192 0.000 1.085 324 H CA -0.742 55.217 56.048 -0.149 0.000 1.357 324 H CB -0.241 29.495 29.762 -0.043 0.000 1.419 324 H HN 0.489 8.845 8.280 0.128 0.000 0.462 325 Y N 5.390 125.669 120.300 -0.034 0.000 2.385 325 Y HA 0.127 4.728 4.550 0.084 0.000 0.341 325 Y C -1.308 174.491 175.900 -0.169 0.000 0.965 325 Y CA -1.095 56.989 58.100 -0.026 0.000 1.180 325 Y CB 0.420 38.860 38.460 -0.033 0.000 1.139 325 Y HN 0.730 8.898 8.280 0.026 0.127 0.502 326 F N 4.743 124.723 119.950 0.049 0.000 2.421 326 F HA 0.033 4.568 4.527 0.014 0.000 0.358 326 F C -1.230 174.615 175.800 0.075 0.000 1.115 326 F CA 0.195 58.224 58.000 0.048 0.000 1.160 326 F CB -0.140 38.901 39.000 0.069 0.000 1.123 326 F HN 0.545 9.144 8.300 0.498 0.000 0.508 327 L N 2.192 123.333 121.223 -0.138 0.000 2.341 327 L HA 1.000 5.571 4.340 0.040 -0.207 0.267 327 L C -1.005 175.635 176.870 -0.384 0.000 1.009 327 L CA -1.756 52.863 54.840 -0.369 0.000 0.819 327 L CB 4.313 45.726 42.059 -1.077 0.000 1.323 327 L HN 0.263 8.239 8.230 -0.424 0.000 0.425 328 Q N -2.349 117.288 119.800 -0.271 0.000 2.456 328 Q HA 0.798 5.253 4.340 -0.089 -0.168 0.284 328 Q C -1.563 174.351 176.000 -0.144 0.000 1.061 328 Q CA -1.612 54.044 55.803 -0.245 0.000 0.799 328 Q CB 5.607 33.986 28.738 -0.600 0.000 1.445 328 Q HN 0.111 8.252 8.270 -0.214 0.000 0.411 329 A N 1.277 124.057 122.820 -0.067 0.000 2.468 329 A HA 0.537 4.777 4.320 -0.133 0.000 0.270 329 A C -1.170 176.378 177.584 -0.060 0.000 1.217 329 A CA -1.907 50.089 52.037 -0.068 0.000 0.908 329 A CB 1.872 20.872 19.000 0.001 0.000 1.423 329 A HN 0.838 9.363 8.150 -0.042 -0.401 0.459 330 A N -3.338 119.469 122.820 -0.022 0.000 1.929 330 A HA -0.004 4.300 4.320 -0.028 0.000 0.216 330 A C -0.239 177.340 177.584 -0.010 0.000 1.176 330 A CA 1.803 53.833 52.037 -0.011 0.000 0.628 330 A CB 0.165 19.175 19.000 0.017 0.000 0.816 330 A HN 0.469 8.617 8.150 -0.003 0.000 0.444 331 T N -6.263 108.294 114.554 0.006 0.000 2.906 331 T HA 0.314 4.660 4.350 -0.005 0.000 0.295 331 T C -2.207 172.498 174.700 0.009 0.000 1.075 331 T CA -3.086 59.018 62.100 0.006 0.000 1.005 331 T CB 1.158 70.036 68.868 0.016 0.000 1.136 331 T HN -0.649 7.603 8.240 0.020 0.000 0.498 332 P HA -0.163 4.262 4.420 0.009 0.000 0.218 332 P C 1.301 178.604 177.300 0.006 0.000 1.148 332 P CA 2.232 65.335 63.100 0.005 0.000 0.822 332 P CB 0.205 31.905 31.700 0.001 0.000 0.784 333 K N -2.576 117.828 120.400 0.008 0.000 2.009 333 K HA -0.350 3.967 4.320 -0.004 0.000 0.210 333 K C 1.988 178.598 176.600 0.017 0.000 1.049 333 K CA 3.600 59.891 56.287 0.007 0.000 0.929 333 K CB -0.384 32.122 32.500 0.011 0.000 0.714 333 K HN 0.019 8.258 8.250 0.009 0.016 0.440 334 E N -1.527 118.705 120.200 0.054 0.000 2.110 334 E HA -0.289 4.135 4.350 0.123 0.000 0.193 334 E C 2.389 179.088 176.600 0.165 0.000 0.988 334 E CA 2.774 59.256 56.400 0.137 0.000 0.804 334 E CB -0.299 29.508 29.700 0.179 0.000 0.745 334 E HN -0.559 7.830 8.360 0.047 0.000 0.458 335 R N -1.903 118.623 120.500 0.044 0.000 2.096 335 R HA -0.281 3.938 4.340 -0.202 0.000 0.235 335 R C 2.336 178.458 176.300 -0.297 0.000 1.127 335 R CA 3.512 59.538 56.100 -0.123 0.000 0.968 335 R CB -0.928 29.411 30.300 0.066 0.000 0.861 335 R HN -0.444 7.850 8.270 0.041 0.000 0.440 336 T N 2.863 117.340 114.554 -0.128 0.000 2.720 336 T HA -0.434 3.829 4.350 -0.144 0.000 0.268 336 T C 2.086 176.695 174.700 -0.153 0.000 1.037 336 T CA 5.033 67.057 62.100 -0.127 0.000 1.144 336 T CB -0.495 68.335 68.868 -0.063 0.000 0.864 336 T HN -0.465 7.740 8.240 -0.059 0.000 0.444 337 E N 1.005 121.135 120.200 -0.116 0.000 2.110 337 E HA -0.312 3.941 4.350 -0.162 0.000 0.193 337 E C 2.460 178.881 176.600 -0.298 0.000 0.988 337 E CA 2.933 59.229 56.400 -0.174 0.000 0.804 337 E CB -0.823 28.789 29.700 -0.145 0.000 0.745 337 E HN -0.337 7.909 8.360 -0.061 0.077 0.458 338 W N -0.564 120.519 121.300 -0.362 0.000 2.476 338 W HA -0.226 4.305 4.660 -0.216 0.000 0.281 338 W C 2.249 178.458 176.519 -0.518 0.000 1.230 338 W CA 4.391 61.471 57.345 -0.442 0.000 1.287 338 W CB -0.135 28.975 29.460 -0.583 0.000 1.108 338 W HN 0.144 8.189 8.180 -0.047 0.107 0.567 339 I N 0.928 121.214 120.570 -0.472 0.000 2.118 339 I HA -0.785 3.299 4.170 -0.143 0.000 0.241 339 I C 1.880 177.928 176.117 -0.114 0.000 1.070 339 I CA 4.996 66.152 61.300 -0.240 0.000 1.327 339 I CB -0.471 37.423 38.000 -0.176 0.000 1.034 339 I HN 0.658 8.338 8.210 -0.583 0.180 0.405 340 K N -1.196 119.121 120.400 -0.139 0.000 2.063 340 K HA -0.346 3.925 4.320 -0.081 0.000 0.208 340 K C 2.484 179.011 176.600 -0.122 0.000 1.048 340 K CA 3.475 59.694 56.287 -0.114 0.000 0.928 340 K CB -0.302 32.125 32.500 -0.123 0.000 0.713 340 K HN -0.112 8.038 8.250 -0.167 0.000 0.442 341 A N -0.133 122.576 122.820 -0.185 0.000 1.845 341 A HA -0.228 3.967 4.320 -0.207 0.000 0.215 341 A C 2.294 179.829 177.584 -0.081 0.000 1.195 341 A CA 3.023 54.934 52.037 -0.211 0.000 0.616 341 A CB -0.741 17.983 19.000 -0.459 0.000 0.832 341 A HN -0.157 7.641 8.150 -0.230 0.215 0.443 342 I N -1.612 118.963 120.570 0.009 0.000 2.315 342 I HA -0.529 3.685 4.170 0.073 0.000 0.248 342 I C 2.255 178.383 176.117 0.018 0.000 1.117 342 I CA 3.818 65.160 61.300 0.072 0.000 1.404 342 I CB -0.200 37.911 38.000 0.185 0.000 1.071 342 I HN 0.133 8.355 8.210 0.020 0.000 0.419 343 Q N -1.175 118.626 119.800 0.000 0.000 2.079 343 Q HA -0.358 3.975 4.340 -0.011 0.000 0.200 343 Q C 2.307 178.289 176.000 -0.030 0.000 0.974 343 Q CA 3.158 58.952 55.803 -0.015 0.000 0.840 343 Q CB 0.222 28.949 28.738 -0.018 0.000 0.898 343 Q HN -0.250 8.017 8.270 -0.004 0.000 0.430 344 M N -3.794 115.782 119.600 -0.040 0.000 2.200 344 M HA -0.114 4.344 4.480 -0.036 0.000 0.265 344 M C 2.314 178.594 176.300 -0.034 0.000 1.066 344 M CA 2.978 58.254 55.300 -0.041 0.000 1.127 344 M CB 0.196 32.765 32.600 -0.053 0.000 1.379 344 M HN -0.087 8.174 8.290 -0.048 0.000 0.420 345 A N 0.119 122.921 122.820 -0.030 0.000 1.930 345 A HA -0.279 4.032 4.320 -0.014 0.000 0.217 345 A C 1.415 178.979 177.584 -0.033 0.000 1.175 345 A CA 2.709 54.735 52.037 -0.019 0.000 0.627 345 A CB -0.750 18.251 19.000 0.001 0.000 0.815 345 A HN 0.436 8.565 8.150 -0.034 0.000 0.443 346 S N -3.683 111.990 115.700 -0.044 0.000 2.507 346 S HA -0.196 4.212 4.470 -0.104 0.000 0.235 346 S C 1.674 176.236 174.600 -0.064 0.000 0.988 346 S CA 1.514 59.670 58.200 -0.074 0.000 0.944 346 S CB -0.555 62.601 63.200 -0.073 0.000 0.762 346 S HN 0.069 8.171 8.310 -0.033 0.188 0.526 347 R N -1.051 119.423 120.500 -0.044 0.000 2.189 347 R HA -0.063 4.254 4.340 -0.038 0.000 0.218 347 R C 0.874 177.156 176.300 -0.030 0.000 1.074 347 R CA 0.102 56.181 56.100 -0.035 0.000 0.991 347 R CB -0.404 29.880 30.300 -0.027 0.000 0.883 347 R HN -0.633 7.428 8.270 -0.038 0.186 0.457 348 T N -0.741 113.796 114.554 -0.028 0.000 3.781 348 T HA 0.024 4.368 4.350 -0.010 0.000 0.286 348 T C -0.400 174.285 174.700 -0.026 0.000 1.277 348 T CA -0.080 62.011 62.100 -0.016 0.000 1.136 348 T CB -1.643 67.225 68.868 0.000 0.000 1.202 348 T HN -0.548 7.647 8.240 -0.031 0.027 0.884 349 G N 1.882 110.665 108.800 -0.028 0.000 4.928 349 G HA2 0.289 4.231 3.960 -0.031 0.000 0.321 349 G HA3 0.289 4.219 3.960 -0.050 0.000 0.321 349 G C -1.781 173.115 174.900 -0.007 0.000 1.455 349 G CA -0.369 44.712 45.100 -0.031 0.000 1.081 349 G HN -0.419 7.810 8.290 -0.025 0.045 0.569 350 K N 0.000 120.405 120.400 0.008 0.000 2.780 350 K HA 0.000 4.325 4.320 0.008 0.000 0.191 350 K CA 0.000 56.295 56.287 0.013 0.000 0.838 350 K CB 0.000 32.508 32.500 0.013 0.000 1.064 350 K HN 0.000 8.257 8.250 0.012 0.000 0.543