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 2vtw_1_D DATA FIRST_RESID 206 DATA SEQUENCE TSSVAAFTSG TIGLSSPTGN FVSSSNNPFN GSYFLQQINT MGMLTTSLYV DATA SEQUENCE KVDTTTMGTR PTGAVNENAR YFTVWVSSFL TQCNPSNIGQ GTLEPSNISM DATA SEQUENCE TSFEPARNPI SPPVFNMNQN IPYYASRFGV LESYRPIFTG SLNTGSIDVR DATA SEQUENCE MQVTPVLATN NTTYNLIAFT FQCASAGLFN PTVNGTVAIG PVVHTCPAAR DATA SEQUENCE APVTV 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 206 T HA 0.000 nan 4.350 nan 0.000 0.228 206 T C 0.000 174.699 174.700 -0.002 0.000 1.109 206 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 206 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 207 S N 1.420 117.121 115.700 0.002 0.000 2.558 207 S HA 0.138 4.608 4.470 -0.000 0.000 0.293 207 S C 1.505 176.101 174.600 -0.006 0.000 1.292 207 S CA 0.363 58.566 58.200 0.004 0.000 1.063 207 S CB 0.221 63.430 63.200 0.015 0.000 0.831 207 S HN 0.886 nan 8.310 nan 0.000 0.499 208 S N 3.117 118.814 115.700 -0.005 0.000 2.593 208 S HA 0.244 4.714 4.470 -0.000 0.000 0.217 208 S C 0.141 174.734 174.600 -0.011 0.000 0.966 208 S CA -0.407 57.785 58.200 -0.013 0.000 0.914 208 S CB -0.054 63.141 63.200 -0.009 0.000 0.776 208 S HN 0.424 nan 8.310 nan 0.000 0.523 209 V N 1.050 120.966 119.914 0.003 0.000 2.709 209 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 209 V C -0.225 175.894 176.094 0.042 0.000 1.062 209 V CA -0.433 61.879 62.300 0.020 0.000 0.901 209 V CB 1.426 33.268 31.823 0.032 0.000 1.003 209 V HN 0.507 nan 8.190 nan 0.000 0.425 210 A N 2.969 125.835 122.820 0.076 0.000 2.572 210 A HA 1.033 5.353 4.320 -0.000 0.000 0.295 210 A C -0.775 177.023 177.584 0.357 0.000 1.072 210 A CA -0.167 51.972 52.037 0.170 0.000 0.691 210 A CB 2.032 21.083 19.000 0.085 0.000 1.291 210 A HN 1.659 nan 8.150 nan 0.000 0.404 211 A N 0.373 123.435 122.820 0.404 0.000 2.454 211 A HA 0.881 5.201 4.320 -0.000 0.000 0.302 211 A C -1.480 176.181 177.584 0.129 0.000 1.079 211 A CA -0.431 51.781 52.037 0.291 0.000 0.731 211 A CB 1.179 20.256 19.000 0.128 0.000 1.299 211 A HN 1.800 nan 8.150 nan 0.000 0.413 212 F N 0.794 120.490 119.950 -0.424 0.000 2.569 212 F HA 0.724 5.251 4.527 -0.000 0.000 0.312 212 F C -0.567 175.036 175.800 -0.327 0.000 1.109 212 F CA -0.157 57.498 58.000 -0.575 0.000 0.919 212 F CB 2.405 40.659 39.000 -1.243 0.000 1.211 212 F HN 0.488 nan 8.300 nan 0.000 0.446 213 T N 3.898 117.915 114.554 -0.895 0.000 2.881 213 T HA 0.615 4.965 4.350 -0.000 0.000 0.290 213 T C -1.272 172.882 174.700 -0.911 0.000 1.000 213 T CA -0.714 60.938 62.100 -0.746 0.000 0.978 213 T CB 1.576 70.239 68.868 -0.343 0.000 0.997 213 T HN 0.623 nan 8.240 nan 0.000 0.443 214 S N 1.508 116.831 115.700 -0.628 0.000 2.588 214 S HA 0.871 5.341 4.470 -0.000 0.000 0.275 214 S C 0.120 174.737 174.600 0.027 0.000 1.130 214 S CA 0.621 58.669 58.200 -0.254 0.000 0.855 214 S CB 1.201 64.312 63.200 -0.149 0.000 1.116 214 S HN 1.571 nan 8.310 nan 0.000 0.472 215 G N 1.481 110.238 108.800 -0.070 0.000 2.545 215 G HA2 0.070 4.030 3.960 -0.000 0.000 0.216 215 G HA3 0.070 4.030 3.960 -0.000 0.000 0.216 215 G C -0.235 174.579 174.900 -0.144 0.000 1.314 215 G CA 0.132 44.969 45.100 -0.438 0.000 0.906 215 G HN 1.957 nan 8.290 nan 0.000 0.563 216 T N -2.896 111.490 114.554 -0.280 0.000 2.893 216 T HA 0.588 4.938 4.350 -0.000 0.000 0.293 216 T C 1.051 175.234 174.700 -0.861 0.000 1.027 216 T CA 0.291 62.121 62.100 -0.450 0.000 0.988 216 T CB 1.881 70.560 68.868 -0.315 0.000 1.043 216 T HN 1.500 nan 8.240 nan 0.000 0.461 217 I N 2.733 122.572 120.570 -1.219 0.000 2.756 217 I HA 0.178 4.348 4.170 -0.000 0.000 0.262 217 I C 2.133 177.911 176.117 -0.565 0.000 1.225 217 I CA 1.331 61.949 61.300 -1.137 0.000 1.472 217 I CB -0.570 36.913 38.000 -0.861 0.000 1.094 217 I HN 0.968 nan 8.210 nan 0.000 0.454 218 G N -0.458 108.091 108.800 -0.418 0.000 2.572 218 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 218 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 218 G C 1.059 175.829 174.900 -0.218 0.000 1.133 218 G CA 0.071 45.010 45.100 -0.268 0.000 0.791 218 G HN 0.415 nan 8.290 nan 0.000 0.538 219 L N 0.587 121.670 121.223 -0.233 0.000 3.634 219 L HA -0.219 4.121 4.340 -0.000 0.000 0.423 219 L C 1.262 178.070 176.870 -0.104 0.000 1.253 219 L CA 0.346 55.100 54.840 -0.142 0.000 0.885 219 L CB -2.128 39.870 42.059 -0.102 0.000 1.789 219 L HN 0.426 nan 8.230 nan 0.000 0.904 220 S N -3.739 111.888 115.700 -0.122 0.000 2.701 220 S HA 0.232 4.701 4.470 -0.000 0.000 0.242 220 S C 0.462 175.012 174.600 -0.085 0.000 1.025 220 S CA 0.249 58.393 58.200 -0.094 0.000 1.016 220 S CB 1.324 64.462 63.200 -0.104 0.000 0.977 220 S HN 0.356 nan 8.310 nan 0.000 0.546 221 S N 3.666 119.309 115.700 -0.096 0.000 2.539 221 S HA 0.484 4.954 4.470 -0.000 0.000 0.235 221 S C -3.087 171.470 174.600 -0.072 0.000 1.326 221 S CA -1.192 56.958 58.200 -0.084 0.000 1.183 221 S CB 1.075 64.213 63.200 -0.103 0.000 1.073 221 S HN 0.131 nan 8.310 nan 0.000 0.480 222 P HA 0.212 nan 4.420 nan 0.000 0.225 222 P C 0.838 178.086 177.300 -0.086 0.000 1.813 222 P CA -0.292 62.765 63.100 -0.072 0.000 1.013 222 P CB -0.314 31.351 31.700 -0.059 0.000 1.961 223 T N -2.934 111.592 114.554 -0.047 0.000 3.065 223 T HA 0.160 4.510 4.350 -0.000 0.000 0.252 223 T C 1.106 175.788 174.700 -0.030 0.000 1.099 223 T CA -0.001 62.090 62.100 -0.014 0.000 1.063 223 T CB -0.245 68.652 68.868 0.048 0.000 0.948 223 T HN 0.190 nan 8.240 nan 0.000 0.506 224 G N 1.717 110.457 108.800 -0.100 0.000 2.406 224 G HA2 0.369 4.329 3.960 -0.000 0.000 0.251 224 G HA3 0.369 4.329 3.960 -0.000 0.000 0.251 224 G C -0.553 173.964 174.900 -0.637 0.000 1.271 224 G CA -0.699 44.215 45.100 -0.309 0.000 0.859 224 G HN 0.417 nan 8.290 nan 0.000 0.540 225 N N 1.317 119.825 118.700 -0.321 0.000 2.527 225 N HA 0.440 5.180 4.740 -0.000 0.000 0.236 225 N C -0.911 174.585 175.510 -0.025 0.000 0.999 225 N CA -0.514 52.395 53.050 -0.235 0.000 0.935 225 N CB 0.248 38.711 38.487 -0.040 0.000 1.132 225 N HN 0.143 nan 8.380 nan 0.000 0.511 226 F N 1.749 121.461 119.950 -0.395 0.000 2.509 226 F HA 0.649 5.176 4.527 -0.000 0.000 0.334 226 F C 0.145 175.741 175.800 -0.340 0.000 1.060 226 F CA -1.398 56.349 58.000 -0.422 0.000 0.997 226 F CB 1.075 39.602 39.000 -0.789 0.000 1.271 226 F HN -0.018 nan 8.300 nan 0.000 0.488 227 V N 0.539 120.648 119.914 0.324 0.000 2.668 227 V HA 0.414 4.534 4.120 -0.000 0.000 0.304 227 V C -0.352 176.081 176.094 0.566 0.000 1.071 227 V CA -1.143 61.416 62.300 0.433 0.000 0.894 227 V CB 1.636 33.703 31.823 0.407 0.000 1.008 227 V HN 0.885 nan 8.190 nan 0.000 0.425 228 S N 2.540 118.413 115.700 0.289 0.000 2.614 228 S HA 0.180 4.649 4.470 -0.000 0.000 0.265 228 S C 1.404 175.771 174.600 -0.388 0.000 1.303 228 S CA 0.221 58.327 58.200 -0.157 0.000 1.000 228 S CB 1.300 63.866 63.200 -1.057 0.000 0.935 228 S HN 1.286 nan 8.310 nan 0.000 0.551 229 S N 0.561 115.818 115.700 -0.738 0.000 2.547 229 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 229 S C 1.147 175.367 174.600 -0.633 0.000 0.980 229 S CA 0.631 58.027 58.200 -1.341 0.000 0.941 229 S CB -0.704 61.953 63.200 -0.905 0.000 0.763 229 S HN 0.621 nan 8.310 nan 0.000 0.532 230 S N 2.284 117.749 115.700 -0.392 0.000 2.660 230 S HA 0.264 4.734 4.470 -0.000 0.000 0.227 230 S C 0.158 174.694 174.600 -0.107 0.000 0.948 230 S CA -0.406 57.668 58.200 -0.209 0.000 0.948 230 S CB -0.381 62.711 63.200 -0.179 0.000 0.779 230 S HN 0.584 nan 8.310 nan 0.000 0.487 231 N N 2.153 120.812 118.700 -0.067 0.000 2.818 231 N HA -0.124 4.615 4.740 -0.000 0.000 0.250 231 N C -1.388 174.166 175.510 0.073 0.000 1.108 231 N CA 0.410 53.505 53.050 0.076 0.000 0.745 231 N CB -1.420 37.129 38.487 0.103 0.000 1.104 231 N HN 0.414 nan 8.380 nan 0.000 0.557 232 N N 1.169 119.886 118.700 0.028 0.000 2.444 232 N HA 0.378 5.118 4.740 -0.000 0.000 0.262 232 N C -2.508 173.108 175.510 0.176 0.000 0.974 232 N CA -0.952 52.134 53.050 0.061 0.000 0.933 232 N CB 1.583 40.060 38.487 -0.018 0.000 1.137 232 N HN 0.057 nan 8.380 nan 0.000 0.498 233 P HA 0.342 nan 4.420 nan 0.000 0.274 233 P C -0.821 176.667 177.300 0.314 0.000 1.237 233 P CA -0.172 63.055 63.100 0.211 0.000 0.793 233 P CB 0.478 32.254 31.700 0.126 0.000 0.977 234 F N -1.661 118.340 119.950 0.086 0.000 2.713 234 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 234 F C -1.365 174.398 175.800 -0.062 0.000 1.141 234 F CA -1.157 56.870 58.000 0.046 0.000 0.939 234 F CB 1.038 40.110 39.000 0.120 0.000 1.325 234 F HN 0.019 nan 8.300 nan 0.000 0.453 235 N N 0.490 119.168 118.700 -0.037 0.000 2.430 235 N HA 0.660 5.399 4.740 -0.000 0.000 0.292 235 N C -0.575 174.792 175.510 -0.239 0.000 1.051 235 N CA -0.339 52.554 53.050 -0.262 0.000 0.917 235 N CB 1.946 40.362 38.487 -0.118 0.000 1.164 235 N HN 1.081 nan 8.380 nan 0.000 0.484 236 G N -0.320 108.119 108.800 -0.601 0.000 2.672 236 G HA2 0.495 4.455 3.960 -0.000 0.000 0.292 236 G HA3 0.495 4.455 3.960 -0.000 0.000 0.292 236 G C -1.016 173.779 174.900 -0.176 0.000 1.375 236 G CA -0.355 44.561 45.100 -0.307 0.000 0.890 236 G HN 0.366 nan 8.290 nan 0.000 0.476 237 S N -0.722 115.015 115.700 0.062 0.000 2.617 237 S HA 0.775 5.245 4.470 -0.000 0.000 0.283 237 S C -0.980 173.794 174.600 0.289 0.000 1.189 237 S CA -0.349 57.908 58.200 0.095 0.000 1.036 237 S CB 0.964 64.165 63.200 0.002 0.000 1.014 237 S HN 0.757 nan 8.310 nan 0.000 0.522 238 Y N -0.317 120.081 120.300 0.164 0.000 2.625 238 Y HA 0.820 5.370 4.550 -0.000 0.000 0.338 238 Y C -1.821 174.236 175.900 0.261 0.000 1.123 238 Y CA -1.675 56.558 58.100 0.221 0.000 1.046 238 Y CB 0.973 39.584 38.460 0.252 0.000 1.299 238 Y HN 0.465 nan 8.280 nan 0.000 0.464 239 F N 3.557 123.568 119.950 0.103 0.000 2.562 239 F HA 0.673 5.200 4.527 -0.000 0.000 0.319 239 F C -2.200 173.723 175.800 0.205 0.000 1.154 239 F CA -1.737 56.282 58.000 0.032 0.000 0.931 239 F CB 1.848 40.845 39.000 -0.005 0.000 1.198 239 F HN 0.669 nan 8.300 nan 0.000 0.444 240 L N 6.031 127.184 121.223 -0.117 0.000 2.325 240 L HA 0.591 4.931 4.340 -0.000 0.000 0.281 240 L C -1.380 175.216 176.870 -0.456 0.000 1.004 240 L CA -0.049 54.699 54.840 -0.154 0.000 0.823 240 L CB 1.742 43.842 42.059 0.068 0.000 1.236 240 L HN 0.678 nan 8.230 nan 0.000 0.415 241 Q N 4.595 124.181 119.800 -0.357 0.000 2.290 241 Q HA 0.519 4.859 4.340 -0.000 0.000 0.269 241 Q C -1.390 174.537 176.000 -0.122 0.000 1.016 241 Q CA -0.453 55.155 55.803 -0.324 0.000 0.754 241 Q CB 2.237 30.767 28.738 -0.346 0.000 1.247 241 Q HN 0.623 nan 8.270 nan 0.000 0.451 242 Q N 1.979 121.734 119.800 -0.074 0.000 2.377 242 Q HA 0.625 4.965 4.340 -0.000 0.000 0.271 242 Q C -1.089 175.006 176.000 0.159 0.000 1.077 242 Q CA -0.930 54.916 55.803 0.071 0.000 0.820 242 Q CB 2.295 31.116 28.738 0.138 0.000 1.347 242 Q HN 0.439 nan 8.270 nan 0.000 0.444 243 I N 1.661 122.369 120.570 0.229 0.000 2.569 243 I HA 0.263 4.433 4.170 -0.000 0.000 0.296 243 I C -0.693 175.576 176.117 0.253 0.000 1.028 243 I CA -0.598 60.863 61.300 0.270 0.000 1.082 243 I CB 1.861 39.944 38.000 0.138 0.000 1.264 243 I HN 0.453 nan 8.210 nan 0.000 0.429 244 N N 3.554 122.366 118.700 0.187 0.000 2.476 244 N HA 0.376 5.116 4.740 -0.000 0.000 0.257 244 N C -1.433 174.077 175.510 -0.000 0.000 0.970 244 N CA -0.267 52.785 53.050 0.003 0.000 0.938 244 N CB 1.121 39.462 38.487 -0.243 0.000 1.144 244 N HN 0.525 nan 8.380 nan 0.000 0.500 245 T N 4.450 119.006 114.554 0.004 0.000 2.801 245 T HA 0.248 4.597 4.350 -0.000 0.000 0.306 245 T C 0.952 175.643 174.700 -0.016 0.000 1.020 245 T CA -0.428 61.672 62.100 0.000 0.000 0.948 245 T CB 0.025 68.899 68.868 0.010 0.000 0.962 245 T HN 0.671 nan 8.240 nan 0.000 0.465 246 M N 2.590 122.175 119.600 -0.025 0.000 2.210 246 M HA -0.287 4.193 4.480 -0.000 0.000 0.198 246 M C 0.915 177.196 176.300 -0.032 0.000 0.319 246 M CA 1.439 56.722 55.300 -0.028 0.000 0.399 246 M CB -1.362 31.228 32.600 -0.017 0.000 1.227 246 M HN 1.177 nan 8.290 nan 0.000 0.931 247 G N -0.004 108.769 108.800 -0.045 0.000 2.141 247 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.231 247 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.231 247 G C -0.430 174.451 174.900 -0.031 0.000 0.984 247 G CA 0.265 45.339 45.100 -0.043 0.000 0.660 247 G HN 0.564 nan 8.290 nan 0.000 0.525 248 M N 0.725 120.309 119.600 -0.026 0.000 2.167 248 M HA 0.799 5.279 4.480 -0.000 0.000 0.333 248 M C -0.571 175.726 176.300 -0.004 0.000 1.030 248 M CA -1.408 53.881 55.300 -0.018 0.000 0.963 248 M CB 1.409 33.999 32.600 -0.017 0.000 1.589 248 M HN 0.203 nan 8.290 nan 0.000 0.431 249 L N 5.256 126.481 121.223 0.003 0.000 2.257 249 L HA 0.609 4.949 4.340 -0.000 0.000 0.290 249 L C -0.831 176.063 176.870 0.040 0.000 1.044 249 L CA 0.569 55.439 54.840 0.051 0.000 0.810 249 L CB 1.050 43.158 42.059 0.081 0.000 1.193 249 L HN 0.779 nan 8.230 nan 0.000 0.425 250 T N 3.271 117.873 114.554 0.079 0.000 2.797 250 T HA 0.559 4.909 4.350 -0.000 0.000 0.279 250 T C -0.343 174.430 174.700 0.123 0.000 0.991 250 T CA -0.391 61.751 62.100 0.069 0.000 0.979 250 T CB 1.115 70.014 68.868 0.052 0.000 0.943 250 T HN 0.606 nan 8.240 nan 0.000 0.444 251 T N 2.299 116.940 114.554 0.145 0.000 2.840 251 T HA 0.492 4.842 4.350 -0.000 0.000 0.287 251 T C -0.443 174.324 174.700 0.112 0.000 0.991 251 T CA -0.555 61.650 62.100 0.175 0.000 0.964 251 T CB 1.460 70.528 68.868 0.334 0.000 0.954 251 T HN 0.488 nan 8.240 nan 0.000 0.438 252 S N 3.194 118.903 115.700 0.015 0.000 2.449 252 S HA 0.749 5.218 4.470 -0.000 0.000 0.310 252 S C -1.053 173.462 174.600 -0.142 0.000 1.096 252 S CA -0.708 57.449 58.200 -0.072 0.000 1.095 252 S CB 0.351 63.503 63.200 -0.079 0.000 1.007 252 S HN 0.553 nan 8.310 nan 0.000 0.474 253 L N 6.008 127.097 121.223 -0.224 0.000 2.409 253 L HA 0.633 4.973 4.340 -0.000 0.000 0.272 253 L C -1.980 174.748 176.870 -0.236 0.000 0.980 253 L CA -0.407 54.310 54.840 -0.205 0.000 0.826 253 L CB 1.383 43.208 42.059 -0.389 0.000 1.268 253 L HN 0.718 nan 8.230 nan 0.000 0.407 254 Y N 3.714 124.038 120.300 0.040 0.000 2.387 254 Y HA 0.749 5.299 4.550 -0.000 0.000 0.336 254 Y C -0.229 175.730 175.900 0.098 0.000 1.067 254 Y CA -0.752 57.391 58.100 0.072 0.000 1.114 254 Y CB 2.135 40.669 38.460 0.123 0.000 1.208 254 Y HN 0.302 nan 8.280 nan 0.000 0.458 255 V N 3.287 123.325 119.914 0.207 0.000 2.656 255 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 255 V C -0.833 175.346 176.094 0.140 0.000 1.051 255 V CA -1.263 61.125 62.300 0.146 0.000 0.893 255 V CB 2.047 33.791 31.823 -0.133 0.000 0.999 255 V HN 0.668 nan 8.190 nan 0.000 0.426 256 K N 3.025 123.524 120.400 0.165 0.000 2.427 256 K HA 0.825 5.145 4.320 -0.000 0.000 0.252 256 K C -1.839 174.832 176.600 0.117 0.000 0.931 256 K CA -0.486 55.866 56.287 0.109 0.000 0.793 256 K CB 2.238 34.775 32.500 0.062 0.000 1.211 256 K HN 0.473 nan 8.250 nan 0.000 0.426 257 V N 2.820 122.779 119.914 0.076 0.000 2.540 257 V HA 0.341 4.461 4.120 -0.000 0.000 0.302 257 V C -0.989 175.108 176.094 0.005 0.000 1.035 257 V CA -0.862 61.470 62.300 0.053 0.000 0.873 257 V CB 1.668 33.488 31.823 -0.006 0.000 0.992 257 V HN 0.801 nan 8.190 nan 0.000 0.428 258 D N 2.604 123.005 120.400 0.001 0.000 2.492 258 D HA 0.269 4.909 4.640 -0.000 0.000 0.248 258 D C 1.206 177.489 176.300 -0.029 0.000 1.101 258 D CA 0.048 54.040 54.000 -0.014 0.000 0.840 258 D CB 2.482 43.277 40.800 -0.008 0.000 1.209 258 D HN 0.678 nan 8.370 nan 0.000 0.524 259 T N -0.164 114.359 114.554 -0.050 0.000 2.881 259 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 259 T C 1.655 176.337 174.700 -0.031 0.000 1.068 259 T CA 1.804 63.867 62.100 -0.062 0.000 1.131 259 T CB -0.471 68.351 68.868 -0.077 0.000 0.871 259 T HN 0.455 nan 8.240 nan 0.000 0.479 260 T N 0.091 114.632 114.554 -0.022 0.000 3.055 260 T HA -0.014 4.336 4.350 -0.000 0.000 0.265 260 T C 1.908 176.604 174.700 -0.007 0.000 1.111 260 T CA 1.229 63.320 62.100 -0.014 0.000 1.118 260 T CB -0.676 68.183 68.868 -0.015 0.000 0.909 260 T HN 0.634 nan 8.240 nan 0.000 0.501 261 T N -0.706 113.845 114.554 -0.004 0.000 3.003 261 T HA 0.304 4.654 4.350 -0.000 0.000 0.261 261 T C 1.808 176.519 174.700 0.018 0.000 1.003 261 T CA 0.101 62.201 62.100 0.000 0.000 0.917 261 T CB -0.277 68.585 68.868 -0.010 0.000 1.084 261 T HN 0.531 nan 8.240 nan 0.000 0.522 262 M N 0.821 120.444 119.600 0.039 0.000 2.492 262 M HA 0.458 4.938 4.480 -0.000 0.000 0.262 262 M C 1.132 177.508 176.300 0.127 0.000 1.090 262 M CA 0.978 56.343 55.300 0.108 0.000 1.110 262 M CB -0.471 32.198 32.600 0.115 0.000 1.407 262 M HN 0.377 nan 8.290 nan 0.000 0.470 263 G N 0.511 109.354 108.800 0.073 0.000 2.541 263 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 263 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 263 G C -0.854 174.086 174.900 0.066 0.000 1.286 263 G CA -0.533 44.609 45.100 0.071 0.000 0.894 263 G HN 0.300 nan 8.290 nan 0.000 0.575 264 T N 1.355 115.943 114.554 0.057 0.000 2.888 264 T HA 0.441 4.791 4.350 -0.000 0.000 0.301 264 T C 0.855 175.592 174.700 0.062 0.000 1.001 264 T CA 0.305 62.433 62.100 0.046 0.000 1.147 264 T CB 0.410 69.300 68.868 0.037 0.000 0.931 264 T HN 0.567 nan 8.240 nan 0.000 0.541 265 R N 4.060 124.590 120.500 0.051 0.000 2.239 265 R HA 0.287 4.627 4.340 -0.000 0.000 0.332 265 R C -2.311 174.016 176.300 0.045 0.000 0.988 265 R CA -1.853 54.285 56.100 0.064 0.000 0.859 265 R CB 0.848 31.186 30.300 0.062 0.000 1.148 265 R HN 0.461 nan 8.270 nan 0.000 0.482 266 P HA -0.052 nan 4.420 nan 0.000 0.267 266 P C 0.042 177.356 177.300 0.023 0.000 1.200 266 P CA -0.031 63.085 63.100 0.027 0.000 0.772 266 P CB 0.635 32.348 31.700 0.023 0.000 0.855 267 T N -1.403 113.160 114.554 0.016 0.000 2.754 267 T HA 0.548 4.898 4.350 -0.000 0.000 0.286 267 T C 0.526 175.232 174.700 0.009 0.000 0.997 267 T CA 0.127 62.235 62.100 0.012 0.000 0.982 267 T CB 0.044 68.918 68.868 0.008 0.000 1.027 267 T HN 0.848 nan 8.240 nan 0.000 0.529 268 G N -0.874 107.930 108.800 0.006 0.000 3.055 268 G HA2 0.361 4.321 3.960 -0.000 0.000 0.686 268 G HA3 0.361 4.321 3.960 -0.000 0.000 0.686 268 G C 0.656 175.557 174.900 0.002 0.000 1.087 268 G CA -0.257 44.844 45.100 0.003 0.000 0.779 268 G HN 1.403 nan 8.290 nan 0.000 0.599 269 A N 1.848 124.667 122.820 -0.001 0.000 1.971 269 A HA -0.050 4.270 4.320 -0.000 0.000 0.222 269 A C 2.797 180.375 177.584 -0.010 0.000 1.182 269 A CA 3.340 55.375 52.037 -0.003 0.000 0.649 269 A CB -0.555 18.442 19.000 -0.006 0.000 0.818 269 A HN 2.160 nan 8.150 nan 0.000 0.458 270 V N 0.430 120.337 119.914 -0.013 0.000 2.568 270 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 270 V C 1.898 177.972 176.094 -0.034 0.000 1.072 270 V CA 2.641 64.927 62.300 -0.023 0.000 1.084 270 V CB -0.656 31.157 31.823 -0.017 0.000 0.676 270 V HN 0.678 nan 8.190 nan 0.000 0.469 271 N N -0.664 118.023 118.700 -0.022 0.000 2.499 271 N HA 0.000 4.740 4.740 -0.000 0.000 0.182 271 N C 1.700 177.212 175.510 0.003 0.000 1.034 271 N CA 1.031 54.064 53.050 -0.028 0.000 0.882 271 N CB -0.110 38.372 38.487 -0.010 0.000 1.125 271 N HN 0.571 nan 8.380 nan 0.000 0.436 272 E N 1.055 121.271 120.200 0.027 0.000 2.204 272 E HA -0.026 4.323 4.350 -0.000 0.000 0.194 272 E C 0.671 177.315 176.600 0.074 0.000 0.989 272 E CA 0.697 57.133 56.400 0.060 0.000 0.824 272 E CB -0.015 29.704 29.700 0.032 0.000 0.756 272 E HN 0.245 nan 8.360 nan 0.000 0.477 273 N N 0.595 119.317 118.700 0.037 0.000 2.461 273 N HA 0.046 4.785 4.740 -0.000 0.000 0.188 273 N C -0.177 175.361 175.510 0.047 0.000 1.134 273 N CA 0.232 53.302 53.050 0.032 0.000 0.878 273 N CB 0.098 38.585 38.487 -0.000 0.000 0.972 273 N HN 0.049 nan 8.380 nan 0.000 0.456 274 A N 0.795 123.647 122.820 0.054 0.000 2.567 274 A HA 0.048 4.368 4.320 -0.000 0.000 0.240 274 A C 1.084 178.818 177.584 0.251 0.000 1.053 274 A CA 0.240 52.304 52.037 0.044 0.000 0.755 274 A CB 0.263 19.175 19.000 -0.146 0.000 0.978 274 A HN 0.287 nan 8.150 nan 0.000 0.507 275 R N 0.763 121.395 120.500 0.219 0.000 2.373 275 R HA 0.128 4.468 4.340 -0.000 0.000 0.221 275 R C -0.847 175.825 176.300 0.619 0.000 0.893 275 R CA 0.113 56.444 56.100 0.386 0.000 1.049 275 R CB 0.402 30.891 30.300 0.315 0.000 1.119 275 R HN 0.733 nan 8.270 nan 0.000 0.535 276 Y N 0.778 121.188 120.300 0.182 0.000 2.420 276 Y HA 0.409 4.959 4.550 -0.000 0.000 0.334 276 Y C -0.142 175.959 175.900 0.336 0.000 1.094 276 Y CA -2.341 55.862 58.100 0.171 0.000 1.126 276 Y CB 1.002 39.518 38.460 0.094 0.000 1.217 276 Y HN -0.111 nan 8.280 nan 0.000 0.462 277 F N -1.692 118.555 119.950 0.495 0.000 2.631 277 F HA 0.795 5.322 4.527 -0.000 0.000 0.308 277 F C -1.060 175.016 175.800 0.460 0.000 1.097 277 F CA -1.050 57.268 58.000 0.530 0.000 0.952 277 F CB 1.374 40.802 39.000 0.713 0.000 1.307 277 F HN 0.232 nan 8.300 nan 0.000 0.450 278 T N 2.453 117.343 114.554 0.559 0.000 2.823 278 T HA 0.686 5.036 4.350 -0.000 0.000 0.279 278 T C -1.053 173.732 174.700 0.142 0.000 0.998 278 T CA -0.628 61.588 62.100 0.192 0.000 0.994 278 T CB 1.798 70.631 68.868 -0.058 0.000 0.960 278 T HN 0.588 nan 8.240 nan 0.000 0.448 279 V N 2.875 122.777 119.914 -0.020 0.000 2.487 279 V HA 0.454 4.574 4.120 -0.000 0.000 0.298 279 V C -1.123 174.946 176.094 -0.042 0.000 1.028 279 V CA -1.130 61.097 62.300 -0.121 0.000 0.860 279 V CB 1.552 33.150 31.823 -0.375 0.000 0.991 279 V HN 0.875 nan 8.190 nan 0.000 0.427 280 W N 3.225 124.585 121.300 0.101 0.000 2.391 280 W HA 0.646 5.306 4.660 -0.000 0.000 0.311 280 W C -0.319 176.268 176.519 0.112 0.000 1.087 280 W CA -0.597 56.824 57.345 0.126 0.000 1.209 280 W CB 1.725 31.249 29.460 0.106 0.000 1.273 280 W HN 0.313 nan 8.180 nan 0.000 0.482 281 V N 3.784 123.942 119.914 0.406 0.000 2.383 281 V HA 0.441 4.560 4.120 -0.000 0.000 0.275 281 V C 0.022 176.302 176.094 0.310 0.000 1.036 281 V CA -0.497 61.981 62.300 0.295 0.000 0.889 281 V CB 1.102 33.114 31.823 0.314 0.000 0.985 281 V HN 0.511 nan 8.190 nan 0.000 0.459 282 S N 2.654 118.488 115.700 0.223 0.000 2.542 282 S HA 0.494 4.964 4.470 -0.000 0.000 0.293 282 S C 0.743 175.384 174.600 0.068 0.000 1.089 282 S CA 0.056 58.369 58.200 0.189 0.000 0.961 282 S CB 2.043 65.341 63.200 0.163 0.000 1.062 282 S HN 0.924 nan 8.310 nan 0.000 0.483 283 S N 2.183 117.856 115.700 -0.045 0.000 2.539 283 S HA 0.357 4.827 4.470 -0.000 0.000 0.221 283 S C -0.374 173.925 174.600 -0.501 0.000 0.987 283 S CA -0.309 57.697 58.200 -0.323 0.000 0.929 283 S CB -0.383 62.581 63.200 -0.393 0.000 0.832 283 S HN 0.516 nan 8.310 nan 0.000 0.492 284 F N 2.220 122.115 119.950 -0.091 0.000 2.334 284 F HA 0.529 5.055 4.527 -0.000 0.000 0.343 284 F C 0.861 176.566 175.800 -0.158 0.000 1.136 284 F CA -0.879 57.019 58.000 -0.169 0.000 1.237 284 F CB 0.645 39.423 39.000 -0.370 0.000 1.525 284 F HN 0.031 nan 8.300 nan 0.000 0.528 285 L N 0.319 121.546 121.223 0.005 0.000 2.291 285 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 285 L C 2.215 179.092 176.870 0.012 0.000 1.120 285 L CA 1.511 56.360 54.840 0.016 0.000 0.799 285 L CB -0.398 41.675 42.059 0.023 0.000 0.925 285 L HN 0.607 nan 8.230 nan 0.000 0.446 286 T N -6.015 108.540 114.554 0.002 0.000 3.000 286 T HA 0.031 4.381 4.350 -0.000 0.000 0.248 286 T C 1.763 176.432 174.700 -0.052 0.000 1.034 286 T CA -0.160 61.934 62.100 -0.010 0.000 1.060 286 T CB 0.268 69.140 68.868 0.006 0.000 0.983 286 T HN 0.018 nan 8.240 nan 0.000 0.482 287 Q N 0.090 119.828 119.800 -0.104 0.000 2.297 287 Q HA 0.334 4.674 4.340 -0.000 0.000 0.203 287 Q C 0.475 176.242 176.000 -0.389 0.000 0.931 287 Q CA 0.313 55.983 55.803 -0.221 0.000 0.885 287 Q CB 0.391 28.975 28.738 -0.256 0.000 0.991 287 Q HN 0.563 nan 8.270 nan 0.000 0.498 288 C N 1.780 120.832 119.300 -0.415 0.000 3.220 288 C HA 0.477 4.937 4.460 -0.000 0.000 0.352 288 C C -1.232 173.650 174.990 -0.179 0.000 1.031 288 C CA -0.676 58.106 59.018 -0.394 0.000 1.338 288 C CB -0.631 26.665 27.740 -0.741 0.000 1.763 288 C HN 0.272 nan 8.230 nan 0.000 0.548 289 N N 4.806 123.439 118.700 -0.112 0.000 2.700 289 N HA 0.342 5.082 4.740 -0.000 0.000 0.242 289 N C -1.962 173.544 175.510 -0.007 0.000 1.541 289 N CA -1.168 51.868 53.050 -0.023 0.000 0.764 289 N CB 1.237 39.727 38.487 0.005 0.000 1.319 289 N HN 0.291 nan 8.380 nan 0.000 0.518 290 P HA -0.040 nan 4.420 nan 0.000 0.216 290 P C 0.481 177.865 177.300 0.140 0.000 1.150 290 P CA 1.198 64.304 63.100 0.009 0.000 0.843 290 P CB 0.380 31.982 31.700 -0.164 0.000 0.787 291 S N -1.604 114.220 115.700 0.206 0.000 2.597 291 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 291 S C 0.388 175.053 174.600 0.107 0.000 0.955 291 S CA -0.321 58.017 58.200 0.230 0.000 0.933 291 S CB -1.307 62.114 63.200 0.369 0.000 0.788 291 S HN 0.184 nan 8.310 nan 0.000 0.488 292 N N 2.321 121.066 118.700 0.074 0.000 2.678 292 N HA -0.173 4.567 4.740 -0.000 0.000 0.268 292 N C -0.573 174.975 175.510 0.064 0.000 1.010 292 N CA 0.118 53.202 53.050 0.056 0.000 0.784 292 N CB -1.212 37.301 38.487 0.044 0.000 0.905 292 N HN 0.186 nan 8.380 nan 0.000 0.552 293 I N 0.611 121.202 120.570 0.034 0.000 2.752 293 I HA 0.089 4.258 4.170 -0.000 0.000 0.289 293 I C 1.889 178.115 176.117 0.181 0.000 1.197 293 I CA 0.455 61.773 61.300 0.030 0.000 1.432 293 I CB -0.524 37.493 38.000 0.028 0.000 1.359 293 I HN 0.402 nan 8.210 nan 0.000 0.571 294 G N 5.185 114.170 108.800 0.308 0.000 2.507 294 G HA2 0.215 4.175 3.960 -0.000 0.000 0.271 294 G HA3 0.215 4.175 3.960 -0.000 0.000 0.271 294 G C -0.126 174.927 174.900 0.254 0.000 1.189 294 G CA -0.488 44.755 45.100 0.238 0.000 0.859 294 G HN 0.688 nan 8.290 nan 0.000 0.542 295 Q N -0.672 119.244 119.800 0.192 0.000 2.428 295 Q HA 0.397 4.737 4.340 -0.000 0.000 0.276 295 Q C 0.637 176.753 176.000 0.193 0.000 1.059 295 Q CA 0.914 56.843 55.803 0.210 0.000 0.923 295 Q CB 0.510 29.325 28.738 0.129 0.000 1.283 295 Q HN 0.657 nan 8.270 nan 0.000 0.447 296 G N 0.901 109.852 108.800 0.252 0.000 3.003 296 G HA2 0.381 4.341 3.960 -0.000 0.000 0.243 296 G HA3 0.381 4.341 3.960 -0.000 0.000 0.243 296 G C -1.394 173.555 174.900 0.081 0.000 1.176 296 G CA -0.450 44.672 45.100 0.038 0.000 0.812 296 G HN 0.519 nan 8.290 nan 0.000 0.584 297 T N 1.164 115.695 114.554 -0.038 0.000 2.770 297 T HA 0.601 4.951 4.350 -0.000 0.000 0.283 297 T C -0.344 174.420 174.700 0.107 0.000 0.988 297 T CA -0.077 62.042 62.100 0.032 0.000 0.957 297 T CB 1.136 69.994 68.868 -0.016 0.000 0.930 297 T HN 0.297 nan 8.240 nan 0.000 0.443 298 L N 2.948 124.271 121.223 0.167 0.000 2.322 298 L HA 0.579 4.919 4.340 -0.000 0.000 0.279 298 L C 0.399 177.353 176.870 0.140 0.000 1.036 298 L CA -0.642 54.318 54.840 0.199 0.000 0.807 298 L CB 1.154 43.337 42.059 0.206 0.000 1.226 298 L HN 0.426 nan 8.230 nan 0.000 0.433 299 E N 3.926 124.221 120.200 0.159 0.000 2.241 299 E HA 0.365 4.715 4.350 -0.000 0.000 0.263 299 E C -2.515 174.169 176.600 0.140 0.000 0.882 299 E CA -1.820 54.653 56.400 0.122 0.000 0.769 299 E CB 2.479 32.238 29.700 0.098 0.000 1.185 299 E HN 0.191 nan 8.360 nan 0.000 0.415 300 P HA -0.038 nan 4.420 nan 0.000 0.269 300 P C 0.946 178.297 177.300 0.085 0.000 1.217 300 P CA 0.164 63.310 63.100 0.077 0.000 0.783 300 P CB 0.589 32.323 31.700 0.056 0.000 0.898 301 S N 0.698 116.438 115.700 0.068 0.000 2.419 301 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 301 S C 1.180 175.819 174.600 0.065 0.000 1.016 301 S CA 1.215 59.456 58.200 0.067 0.000 0.974 301 S CB -1.087 62.144 63.200 0.051 0.000 0.786 301 S HN 0.631 nan 8.310 nan 0.000 0.492 302 N N 0.678 119.410 118.700 0.055 0.000 2.268 302 N HA 0.164 4.904 4.740 -0.000 0.000 0.204 302 N C -0.142 175.396 175.510 0.046 0.000 1.124 302 N CA -0.408 52.669 53.050 0.045 0.000 0.838 302 N CB -0.579 37.928 38.487 0.033 0.000 0.994 302 N HN 0.422 nan 8.380 nan 0.000 0.489 303 I N 1.227 121.837 120.570 0.067 0.000 2.529 303 I HA 0.047 4.217 4.170 -0.000 0.000 0.284 303 I C 0.471 176.625 176.117 0.063 0.000 1.082 303 I CA -0.143 61.196 61.300 0.064 0.000 1.406 303 I CB 1.147 39.207 38.000 0.101 0.000 1.405 303 I HN 0.058 nan 8.210 nan 0.000 0.548 304 S N 6.491 122.201 115.700 0.016 0.000 2.564 304 S HA 0.091 4.561 4.470 -0.000 0.000 0.278 304 S C 1.351 175.952 174.600 0.003 0.000 1.333 304 S CA -0.561 57.637 58.200 -0.003 0.000 1.048 304 S CB 0.519 63.701 63.200 -0.031 0.000 0.900 304 S HN 0.639 nan 8.310 nan 0.000 0.505 305 M N 3.631 123.220 119.600 -0.019 0.000 2.267 305 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 305 M C 2.320 178.553 176.300 -0.111 0.000 1.063 305 M CA 1.778 57.047 55.300 -0.052 0.000 1.090 305 M CB -2.107 30.373 32.600 -0.199 0.000 1.392 305 M HN 0.952 nan 8.290 nan 0.000 0.422 306 T N -2.825 111.638 114.554 -0.152 0.000 3.077 306 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 306 T C 1.633 176.210 174.700 -0.205 0.000 1.146 306 T CA 1.445 63.437 62.100 -0.180 0.000 1.091 306 T CB -0.475 68.337 68.868 -0.093 0.000 0.892 306 T HN 0.272 nan 8.240 nan 0.000 0.533 307 S N 0.584 116.098 115.700 -0.310 0.000 2.561 307 S HA 0.218 4.688 4.470 -0.000 0.000 0.225 307 S C 0.480 174.534 174.600 -0.910 0.000 0.977 307 S CA 0.209 58.060 58.200 -0.583 0.000 0.926 307 S CB -0.355 62.394 63.200 -0.752 0.000 0.769 307 S HN 0.665 nan 8.310 nan 0.000 0.533 308 F N 1.317 121.190 119.950 -0.129 0.000 2.654 308 F HA 0.345 4.872 4.527 -0.000 0.000 0.303 308 F C 0.714 176.460 175.800 -0.089 0.000 1.099 308 F CA -0.865 57.076 58.000 -0.098 0.000 1.270 308 F CB 0.132 39.047 39.000 -0.140 0.000 1.024 308 F HN 0.081 nan 8.300 nan 0.000 0.548 309 E N 4.724 124.898 120.200 -0.043 0.000 2.290 309 E HA 0.125 4.475 4.350 -0.000 0.000 0.277 309 E C -2.400 174.241 176.600 0.068 0.000 1.035 309 E CA -2.131 54.269 56.400 -0.000 0.000 0.873 309 E CB 0.952 30.636 29.700 -0.028 0.000 1.029 309 E HN -0.067 nan 8.360 nan 0.000 0.419 310 P HA 0.090 nan 4.420 nan 0.000 0.279 310 P C -0.893 176.472 177.300 0.109 0.000 1.239 310 P CA -0.313 62.859 63.100 0.121 0.000 0.789 310 P CB 1.214 33.011 31.700 0.161 0.000 0.933 311 A N 3.945 126.808 122.820 0.073 0.000 2.520 311 A HA 0.031 4.351 4.320 -0.000 0.000 0.235 311 A C 0.762 178.388 177.584 0.071 0.000 1.065 311 A CA -0.209 51.864 52.037 0.060 0.000 0.764 311 A CB -0.288 18.733 19.000 0.034 0.000 1.002 311 A HN 0.654 nan 8.150 nan 0.000 0.502 312 R N 1.443 121.979 120.500 0.060 0.000 2.537 312 R HA -0.068 4.271 4.340 -0.000 0.000 0.281 312 R C -0.165 176.163 176.300 0.046 0.000 0.988 312 R CA -0.007 56.125 56.100 0.053 0.000 1.077 312 R CB 0.169 30.488 30.300 0.032 0.000 0.932 312 R HN 0.778 nan 8.270 nan 0.000 0.409 313 N N 6.038 124.770 118.700 0.054 0.000 2.405 313 N HA 0.045 4.784 4.740 -0.000 0.000 0.260 313 N C -1.752 173.774 175.510 0.027 0.000 1.152 313 N CA -1.914 51.165 53.050 0.047 0.000 0.948 313 N CB 1.217 39.743 38.487 0.064 0.000 1.111 313 N HN 0.472 nan 8.380 nan 0.000 0.485 314 P HA -0.073 nan 4.420 nan 0.000 0.233 314 P C 1.336 178.631 177.300 -0.008 0.000 1.167 314 P CA 0.713 63.815 63.100 0.004 0.000 0.770 314 P CB 0.028 31.729 31.700 0.002 0.000 0.837 315 I N -4.081 116.485 120.570 -0.008 0.000 3.111 315 I HA 0.084 4.253 4.170 -0.000 0.000 0.272 315 I C -0.253 175.827 176.117 -0.062 0.000 1.268 315 I CA 0.122 61.401 61.300 -0.035 0.000 1.467 315 I CB -0.754 37.226 38.000 -0.034 0.000 1.087 315 I HN -0.283 nan 8.210 nan 0.000 0.467 316 S N 2.035 117.718 115.700 -0.029 0.000 3.727 316 S HA -0.073 4.397 4.470 -0.000 0.000 0.444 316 S C -1.778 172.794 174.600 -0.046 0.000 0.867 316 S CA 0.282 58.467 58.200 -0.025 0.000 1.324 316 S CB -1.741 61.439 63.200 -0.033 0.000 0.890 316 S HN 0.642 nan 8.310 nan 0.000 0.599 317 P HA 0.456 nan 4.420 nan 0.000 0.276 317 P C -2.726 174.659 177.300 0.142 0.000 1.261 317 P CA -1.600 61.521 63.100 0.037 0.000 0.800 317 P CB -0.262 31.573 31.700 0.224 0.000 1.066 318 P HA -0.008 nan 4.420 nan 0.000 0.264 318 P C 0.073 177.573 177.300 0.333 0.000 1.193 318 P CA 0.018 63.284 63.100 0.276 0.000 0.763 318 P CB 0.166 32.066 31.700 0.334 0.000 0.810 319 V N 5.450 125.490 119.914 0.211 0.000 2.872 319 V HA 0.093 4.213 4.120 -0.000 0.000 0.307 319 V C -0.515 175.720 176.094 0.234 0.000 1.072 319 V CA -0.008 62.382 62.300 0.150 0.000 1.148 319 V CB -0.253 31.612 31.823 0.069 0.000 0.954 319 V HN 0.310 nan 8.190 nan 0.000 0.490 320 F N 7.204 127.080 119.950 -0.125 0.000 2.361 320 F HA 0.483 5.010 4.527 -0.000 0.000 0.364 320 F C -0.018 175.718 175.800 -0.107 0.000 1.120 320 F CA -1.262 56.653 58.000 -0.140 0.000 1.102 320 F CB 0.541 39.270 39.000 -0.452 0.000 1.183 320 F HN 0.641 nan 8.300 nan 0.000 0.476 321 N N 6.508 125.059 118.700 -0.248 0.000 2.420 321 N HA 0.160 4.900 4.740 -0.000 0.000 0.249 321 N C 0.486 175.652 175.510 -0.575 0.000 1.033 321 N CA -0.123 52.731 53.050 -0.327 0.000 0.944 321 N CB 0.788 39.205 38.487 -0.118 0.000 1.113 321 N HN 0.798 nan 8.380 nan 0.000 0.502 322 M N 1.757 120.979 119.600 -0.629 0.000 2.619 322 M HA 0.044 4.524 4.480 -0.000 0.000 0.251 322 M C 0.789 176.921 176.300 -0.278 0.000 1.106 322 M CA 0.351 55.307 55.300 -0.574 0.000 1.086 322 M CB 0.099 32.409 32.600 -0.484 0.000 1.465 322 M HN 0.416 nan 8.290 nan 0.000 0.506 323 N N 0.876 119.453 118.700 -0.204 0.000 2.422 323 N HA -0.020 4.720 4.740 -0.000 0.000 0.181 323 N C 0.484 175.949 175.510 -0.076 0.000 1.080 323 N CA 0.441 53.423 53.050 -0.115 0.000 0.893 323 N CB 0.193 38.625 38.487 -0.091 0.000 0.973 323 N HN 0.502 nan 8.380 nan 0.000 0.456 324 Q N 0.107 119.859 119.800 -0.080 0.000 2.166 324 Q HA 0.314 4.654 4.340 -0.000 0.000 0.226 324 Q C -0.248 175.751 176.000 -0.002 0.000 0.989 324 Q CA -0.207 55.582 55.803 -0.023 0.000 0.966 324 Q CB 0.183 28.923 28.738 0.003 0.000 1.173 324 Q HN -0.153 nan 8.270 nan 0.000 0.509 325 N N -1.055 117.669 118.700 0.041 0.000 2.203 325 N HA 0.327 5.067 4.740 -0.000 0.000 0.207 325 N C -0.800 174.775 175.510 0.109 0.000 1.130 325 N CA -0.094 52.992 53.050 0.059 0.000 0.861 325 N CB 0.510 39.026 38.487 0.047 0.000 1.005 325 N HN 0.446 nan 8.380 nan 0.000 0.507 326 I N 2.363 123.025 120.570 0.152 0.000 2.291 326 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 326 I C -1.360 174.962 176.117 0.342 0.000 1.064 326 I CA -1.549 59.885 61.300 0.223 0.000 1.269 326 I CB 1.334 39.473 38.000 0.232 0.000 1.418 326 I HN -0.060 nan 8.210 nan 0.000 0.485 327 P HA -0.113 nan 4.420 nan 0.000 0.235 327 P C -0.084 177.491 177.300 0.458 0.000 1.177 327 P CA 0.640 63.991 63.100 0.418 0.000 0.785 327 P CB 0.163 32.041 31.700 0.297 0.000 0.885 328 Y N 1.080 121.539 120.300 0.264 0.000 2.327 328 Y HA 0.414 4.964 4.550 -0.000 0.000 0.336 328 Y C -0.998 174.997 175.900 0.159 0.000 1.035 328 Y CA -1.240 56.974 58.100 0.190 0.000 1.165 328 Y CB 0.476 39.016 38.460 0.134 0.000 1.181 328 Y HN -0.200 nan 8.280 nan 0.000 0.494 329 Y N 5.352 125.192 120.300 -0.767 0.000 2.350 329 Y HA 0.707 5.257 4.550 -0.000 0.000 0.338 329 Y C -0.870 174.419 175.900 -1.018 0.000 0.961 329 Y CA -1.137 56.514 58.100 -0.748 0.000 1.100 329 Y CB 1.172 39.221 38.460 -0.684 0.000 1.179 329 Y HN 0.834 nan 8.280 nan 0.000 0.454 330 A N 4.639 126.751 122.820 -1.179 0.000 2.302 330 A HA 0.397 4.716 4.320 -0.000 0.000 0.295 330 A C 0.002 177.188 177.584 -0.665 0.000 1.235 330 A CA -0.288 51.309 52.037 -0.733 0.000 0.876 330 A CB 0.015 18.821 19.000 -0.324 0.000 1.133 330 A HN 0.711 nan 8.150 nan 0.000 0.533 331 S N 2.145 117.602 115.700 -0.404 0.000 2.531 331 S HA 0.283 4.753 4.470 -0.000 0.000 0.279 331 S C 1.008 175.395 174.600 -0.355 0.000 1.305 331 S CA -0.254 57.764 58.200 -0.303 0.000 1.058 331 S CB 0.126 63.120 63.200 -0.343 0.000 0.899 331 S HN 0.730 nan 8.310 nan 0.000 0.493 332 R N 3.001 123.239 120.500 -0.436 0.000 2.561 332 R HA 0.146 4.486 4.340 -0.000 0.000 0.213 332 R C -0.787 175.064 176.300 -0.747 0.000 0.885 332 R CA 0.366 56.026 56.100 -0.733 0.000 1.002 332 R CB 0.222 29.749 30.300 -1.289 0.000 1.432 332 R HN 0.608 nan 8.270 nan 0.000 0.651 333 F N 1.193 121.108 119.950 -0.058 0.000 2.366 333 F HA 0.652 5.179 4.527 -0.000 0.000 0.366 333 F C 0.718 176.491 175.800 -0.046 0.000 1.096 333 F CA -0.521 57.457 58.000 -0.037 0.000 1.060 333 F CB 1.862 40.857 39.000 -0.008 0.000 1.282 333 F HN 0.186 nan 8.300 nan 0.000 0.450 334 G N 0.502 109.344 108.800 0.069 0.000 2.345 334 G HA2 0.252 4.212 3.960 -0.000 0.000 0.285 334 G HA3 0.252 4.212 3.960 -0.000 0.000 0.285 334 G C -1.876 173.010 174.900 -0.023 0.000 1.297 334 G CA -0.829 44.283 45.100 0.019 0.000 0.875 334 G HN 0.394 nan 8.290 nan 0.000 0.506 335 V N -0.026 119.873 119.914 -0.025 0.000 2.811 335 V HA 0.640 4.760 4.120 -0.000 0.000 0.302 335 V C -0.160 175.889 176.094 -0.074 0.000 1.063 335 V CA -0.270 62.011 62.300 -0.030 0.000 1.088 335 V CB 1.194 33.019 31.823 0.004 0.000 0.982 335 V HN 0.975 nan 8.190 nan 0.000 0.485 336 L N 6.237 127.418 121.223 -0.070 0.000 2.319 336 L HA 0.607 4.946 4.340 -0.000 0.000 0.281 336 L C -0.323 176.506 176.870 -0.068 0.000 1.005 336 L CA 0.211 54.997 54.840 -0.089 0.000 0.828 336 L CB 1.395 43.398 42.059 -0.093 0.000 1.227 336 L HN 0.640 nan 8.230 nan 0.000 0.415 337 E N 2.688 122.861 120.200 -0.046 0.000 2.207 337 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 337 E C -1.015 175.510 176.600 -0.125 0.000 0.927 337 E CA -0.523 55.831 56.400 -0.076 0.000 0.799 337 E CB 2.028 31.745 29.700 0.029 0.000 1.172 337 E HN 0.523 nan 8.360 nan 0.000 0.404 338 S N 1.921 117.425 115.700 -0.326 0.000 2.451 338 S HA 0.576 5.046 4.470 -0.000 0.000 0.301 338 S C -0.902 173.378 174.600 -0.534 0.000 1.116 338 S CA -0.594 57.452 58.200 -0.257 0.000 1.093 338 S CB 0.371 63.477 63.200 -0.157 0.000 1.017 338 S HN 0.295 nan 8.310 nan 0.000 0.482 339 Y N 0.669 120.962 120.300 -0.012 0.000 2.512 339 Y HA 0.537 5.087 4.550 -0.000 0.000 0.348 339 Y C 0.208 176.120 175.900 0.021 0.000 0.990 339 Y CA -1.073 57.031 58.100 0.007 0.000 1.033 339 Y CB 1.510 39.984 38.460 0.023 0.000 1.259 339 Y HN 0.488 nan 8.280 nan 0.000 0.461 340 R N 4.490 125.080 120.500 0.150 0.000 2.255 340 R HA 0.488 4.828 4.340 -0.000 0.000 0.326 340 R C -2.743 173.585 176.300 0.047 0.000 0.986 340 R CA -1.659 54.492 56.100 0.085 0.000 0.847 340 R CB 0.880 31.200 30.300 0.034 0.000 1.111 340 R HN 0.463 nan 8.270 nan 0.000 0.452 341 P HA 0.312 nan 4.420 nan 0.000 0.284 341 P C -0.630 176.395 177.300 -0.459 0.000 1.292 341 P CA -0.524 62.494 63.100 -0.136 0.000 0.800 341 P CB 1.259 32.925 31.700 -0.056 0.000 1.188 342 I N 0.064 120.383 120.570 -0.418 0.000 2.412 342 I HA 0.328 4.498 4.170 -0.000 0.000 0.296 342 I C -0.227 175.580 176.117 -0.517 0.000 0.987 342 I CA -0.676 60.334 61.300 -0.483 0.000 1.180 342 I CB 0.842 38.734 38.000 -0.179 0.000 1.340 342 I HN 0.154 nan 8.210 nan 0.000 0.455 343 F N 2.640 122.605 119.950 0.026 0.000 2.541 343 F HA 0.685 5.212 4.527 -0.000 0.000 0.331 343 F C 0.631 176.432 175.800 0.002 0.000 1.057 343 F CA -0.831 57.175 58.000 0.010 0.000 0.975 343 F CB 1.714 40.717 39.000 0.005 0.000 1.246 343 F HN 0.380 nan 8.300 nan 0.000 0.484 344 T N -1.938 112.742 114.554 0.210 0.000 2.901 344 T HA 0.787 5.137 4.350 -0.000 0.000 0.293 344 T C 0.022 174.770 174.700 0.081 0.000 1.084 344 T CA -0.324 61.843 62.100 0.112 0.000 1.008 344 T CB 1.362 70.265 68.868 0.058 0.000 1.170 344 T HN 1.628 nan 8.240 nan 0.000 0.509 345 G N 1.312 110.137 108.800 0.042 0.000 2.601 345 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 345 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 345 G C 0.910 175.807 174.900 -0.006 0.000 1.294 345 G CA 0.930 46.036 45.100 0.011 0.000 0.912 345 G HN 2.133 nan 8.290 nan 0.000 0.574 346 S N -0.884 114.794 115.700 -0.035 0.000 2.558 346 S HA 0.382 4.852 4.470 -0.000 0.000 0.217 346 S C 1.135 175.662 174.600 -0.121 0.000 0.975 346 S CA 1.063 59.225 58.200 -0.062 0.000 0.912 346 S CB 0.165 63.332 63.200 -0.055 0.000 0.776 346 S HN 1.606 nan 8.310 nan 0.000 0.526 347 L N 3.446 124.589 121.223 -0.134 0.000 2.462 347 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 347 L C -0.462 176.104 176.870 -0.506 0.000 1.166 347 L CA 0.368 55.070 54.840 -0.229 0.000 0.880 347 L CB 0.247 42.217 42.059 -0.149 0.000 1.142 347 L HN 0.271 nan 8.230 nan 0.000 0.473 348 N N 2.149 120.473 118.700 -0.626 0.000 2.607 348 N HA 0.140 4.880 4.740 -0.000 0.000 0.271 348 N C 0.407 175.531 175.510 -0.644 0.000 1.142 348 N CA 0.306 52.715 53.050 -1.068 0.000 0.810 348 N CB 1.226 39.371 38.487 -0.570 0.000 1.306 348 N HN 0.730 nan 8.380 nan 0.000 0.536 349 T N -0.436 113.757 114.554 -0.602 0.000 3.113 349 T HA 0.281 4.631 4.350 -0.000 0.000 0.256 349 T C 1.089 175.833 174.700 0.074 0.000 1.131 349 T CA 0.593 62.652 62.100 -0.069 0.000 1.074 349 T CB -0.397 68.582 68.868 0.185 0.000 0.944 349 T HN 0.701 nan 8.240 nan 0.000 0.516 350 G N 1.195 110.055 108.800 0.100 0.000 2.692 350 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 350 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 350 G C -0.087 174.997 174.900 0.307 0.000 1.340 350 G CA -0.354 44.876 45.100 0.217 0.000 0.896 350 G HN 0.648 nan 8.290 nan 0.000 0.570 351 S N -0.770 115.050 115.700 0.200 0.000 2.576 351 S HA 0.493 4.963 4.470 -0.000 0.000 0.272 351 S C 0.623 175.318 174.600 0.159 0.000 1.352 351 S CA 0.375 58.675 58.200 0.166 0.000 1.021 351 S CB 0.350 63.612 63.200 0.104 0.000 0.887 351 S HN 0.626 nan 8.310 nan 0.000 0.542 352 I N 2.033 122.702 120.570 0.165 0.000 2.478 352 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 352 I C -0.965 175.226 176.117 0.122 0.000 1.042 352 I CA -0.733 60.657 61.300 0.150 0.000 1.067 352 I CB 1.939 40.072 38.000 0.222 0.000 1.233 352 I HN 0.400 nan 8.210 nan 0.000 0.431 353 D N 5.566 125.972 120.400 0.010 0.000 2.210 353 D HA 0.455 5.095 4.640 -0.000 0.000 0.249 353 D C -0.544 175.659 176.300 -0.163 0.000 1.062 353 D CA -0.112 53.865 54.000 -0.038 0.000 0.891 353 D CB 2.652 43.398 40.800 -0.091 0.000 1.186 353 D HN 0.044 nan 8.370 nan 0.000 0.432 354 V N 2.321 122.144 119.914 -0.150 0.000 2.444 354 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 354 V C 0.082 176.001 176.094 -0.292 0.000 1.022 354 V CA -0.906 61.170 62.300 -0.373 0.000 0.850 354 V CB 1.699 33.220 31.823 -0.503 0.000 0.992 354 V HN 0.324 nan 8.190 nan 0.000 0.426 355 R N 4.763 125.040 120.500 -0.372 0.000 2.312 355 R HA 0.752 5.092 4.340 -0.000 0.000 0.311 355 R C -0.774 175.261 176.300 -0.443 0.000 1.004 355 R CA -0.177 55.724 56.100 -0.332 0.000 0.902 355 R CB 1.082 31.194 30.300 -0.313 0.000 1.073 355 R HN 0.743 nan 8.270 nan 0.000 0.457 356 M N 3.651 122.984 119.600 -0.445 0.000 2.190 356 M HA 0.342 4.822 4.480 -0.000 0.000 0.312 356 M C -1.021 174.977 176.300 -0.503 0.000 0.990 356 M CA -0.362 54.494 55.300 -0.741 0.000 0.927 356 M CB 2.275 34.345 32.600 -0.883 0.000 1.571 356 M HN 0.484 nan 8.290 nan 0.000 0.427 357 Q N 3.129 122.622 119.800 -0.511 0.000 2.295 357 Q HA 0.416 4.756 4.340 -0.000 0.000 0.259 357 Q C -1.629 174.274 176.000 -0.161 0.000 0.966 357 Q CA -0.511 55.163 55.803 -0.214 0.000 0.763 357 Q CB 2.340 31.019 28.738 -0.098 0.000 1.283 357 Q HN 0.637 nan 8.270 nan 0.000 0.445 358 V N 3.675 123.568 119.914 -0.036 0.000 2.529 358 V HA 0.218 4.338 4.120 -0.000 0.000 0.292 358 V C -0.013 176.145 176.094 0.107 0.000 1.028 358 V CA 0.642 62.980 62.300 0.063 0.000 1.074 358 V CB 0.917 32.805 31.823 0.108 0.000 0.958 358 V HN 0.807 nan 8.190 nan 0.000 0.481 359 T N 7.426 122.080 114.554 0.166 0.000 2.916 359 T HA 0.439 4.788 4.350 -0.000 0.000 0.298 359 T C -2.858 171.937 174.700 0.158 0.000 1.031 359 T CA -1.249 60.960 62.100 0.183 0.000 0.993 359 T CB 2.205 71.210 68.868 0.230 0.000 1.045 359 T HN 0.452 nan 8.240 nan 0.000 0.454 360 P HA 0.371 nan 4.420 nan 0.000 0.276 360 P C -1.027 176.277 177.300 0.007 0.000 1.235 360 P CA -0.360 62.768 63.100 0.046 0.000 0.772 360 P CB 0.649 32.364 31.700 0.024 0.000 0.871 361 V N 5.231 125.124 119.914 -0.036 0.000 2.407 361 V HA 0.184 4.304 4.120 -0.000 0.000 0.291 361 V C 0.104 176.128 176.094 -0.117 0.000 1.018 361 V CA -0.851 61.373 62.300 -0.127 0.000 0.842 361 V CB 1.701 33.378 31.823 -0.242 0.000 0.996 361 V HN 0.377 nan 8.190 nan 0.000 0.426 362 L N 5.761 126.885 121.223 -0.164 0.000 2.295 362 L HA 0.730 5.070 4.340 -0.000 0.000 0.288 362 L C 0.657 177.424 176.870 -0.171 0.000 1.079 362 L CA 0.262 55.014 54.840 -0.146 0.000 0.830 362 L CB 0.422 42.399 42.059 -0.137 0.000 1.200 362 L HN 0.778 nan 8.230 nan 0.000 0.438 363 A N 3.071 125.850 122.820 -0.069 0.000 2.296 363 A HA 0.400 4.720 4.320 -0.000 0.000 0.264 363 A C 1.371 178.907 177.584 -0.081 0.000 1.097 363 A CA 0.269 52.262 52.037 -0.073 0.000 0.811 363 A CB 0.080 19.113 19.000 0.055 0.000 1.072 363 A HN 0.908 nan 8.150 nan 0.000 0.495 364 T N -1.083 113.419 114.554 -0.088 0.000 3.007 364 T HA -0.144 4.205 4.350 -0.000 0.000 0.270 364 T C 0.877 175.552 174.700 -0.041 0.000 1.107 364 T CA 1.315 63.373 62.100 -0.070 0.000 1.118 364 T CB -0.613 68.215 68.868 -0.067 0.000 0.889 364 T HN 0.783 nan 8.240 nan 0.000 0.506 365 N N 1.643 120.333 118.700 -0.017 0.000 2.434 365 N HA -0.016 4.724 4.740 -0.000 0.000 0.196 365 N C 0.253 175.749 175.510 -0.022 0.000 1.183 365 N CA 0.039 53.086 53.050 -0.004 0.000 0.849 365 N CB -0.900 37.604 38.487 0.028 0.000 0.992 365 N HN 0.318 nan 8.380 nan 0.000 0.460 366 N N -1.248 117.427 118.700 -0.042 0.000 2.713 366 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 366 N C -1.000 174.446 175.510 -0.107 0.000 1.117 366 N CA 1.289 54.298 53.050 -0.069 0.000 0.770 366 N CB -1.855 36.596 38.487 -0.060 0.000 1.137 366 N HN 0.407 nan 8.380 nan 0.000 0.566 367 T N 0.752 115.230 114.554 -0.127 0.000 2.875 367 T HA 0.339 4.688 4.350 -0.000 0.000 0.284 367 T C 0.491 174.932 174.700 -0.431 0.000 0.995 367 T CA -0.110 61.794 62.100 -0.326 0.000 1.060 367 T CB 1.653 70.245 68.868 -0.460 0.000 0.967 367 T HN -0.058 nan 8.240 nan 0.000 0.476 368 T N 3.676 117.944 114.554 -0.477 0.000 2.780 368 T HA 0.441 4.791 4.350 -0.000 0.000 0.294 368 T C -0.929 173.414 174.700 -0.595 0.000 0.949 368 T CA -0.098 61.776 62.100 -0.377 0.000 1.074 368 T CB -0.005 68.731 68.868 -0.220 0.000 0.910 368 T HN 0.390 nan 8.240 nan 0.000 0.501 369 Y N 1.738 121.886 120.300 -0.254 0.000 2.499 369 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 369 Y C 0.556 176.390 175.900 -0.111 0.000 0.987 369 Y CA -1.341 56.556 58.100 -0.338 0.000 1.044 369 Y CB 1.441 39.524 38.460 -0.629 0.000 1.245 369 Y HN 0.471 nan 8.280 nan 0.000 0.461 370 N N 3.110 121.924 118.700 0.189 0.000 2.419 370 N HA 0.414 5.154 4.740 -0.000 0.000 0.264 370 N C -1.218 174.483 175.510 0.319 0.000 1.031 370 N CA -0.152 53.029 53.050 0.219 0.000 0.951 370 N CB 1.385 39.984 38.487 0.186 0.000 1.101 370 N HN 0.413 nan 8.380 nan 0.000 0.488 371 L N 1.570 122.971 121.223 0.298 0.000 2.235 371 L HA 0.633 4.972 4.340 -0.000 0.000 0.260 371 L C 0.022 177.099 176.870 0.345 0.000 1.025 371 L CA -0.760 54.298 54.840 0.364 0.000 0.836 371 L CB 1.138 43.443 42.059 0.411 0.000 1.395 371 L HN 0.366 nan 8.230 nan 0.000 0.443 372 I N 0.906 121.672 120.570 0.327 0.000 2.362 372 I HA 0.616 4.786 4.170 -0.000 0.000 0.289 372 I C -0.318 175.765 176.117 -0.057 0.000 0.994 372 I CA -0.690 60.656 61.300 0.076 0.000 1.158 372 I CB 1.623 39.630 38.000 0.012 0.000 1.315 372 I HN 0.545 nan 8.210 nan 0.000 0.451 373 A N 6.953 129.495 122.820 -0.462 0.000 2.274 373 A HA 0.738 5.058 4.320 -0.000 0.000 0.309 373 A C -0.959 176.199 177.584 -0.710 0.000 1.226 373 A CA -0.181 51.308 52.037 -0.912 0.000 0.853 373 A CB 0.105 18.340 19.000 -1.275 0.000 1.146 373 A HN 0.591 nan 8.150 nan 0.000 0.518 374 F N 1.514 121.134 119.950 -0.550 0.000 2.402 374 F HA 0.402 4.929 4.527 -0.000 0.000 0.355 374 F C 0.561 176.072 175.800 -0.481 0.000 1.123 374 F CA -0.146 57.550 58.000 -0.507 0.000 1.021 374 F CB 2.477 41.232 39.000 -0.409 0.000 1.160 374 F HN 0.433 nan 8.300 nan 0.000 0.451 375 T N 4.547 118.864 114.554 -0.395 0.000 2.770 375 T HA 0.425 4.775 4.350 -0.000 0.000 0.283 375 T C -0.635 173.753 174.700 -0.520 0.000 0.988 375 T CA -0.432 61.475 62.100 -0.322 0.000 0.957 375 T CB 0.276 68.990 68.868 -0.257 0.000 0.930 375 T HN 0.169 nan 8.240 nan 0.000 0.443 376 F N 2.734 122.338 119.950 -0.577 0.000 2.411 376 F HA 0.333 4.859 4.527 -0.000 0.000 0.355 376 F C 1.118 176.544 175.800 -0.624 0.000 1.117 376 F CA -0.729 56.870 58.000 -0.669 0.000 1.139 376 F CB 0.954 39.273 39.000 -1.136 0.000 1.120 376 F HN 0.332 nan 8.300 nan 0.000 0.493 377 Q N 3.819 123.370 119.800 -0.415 0.000 2.456 377 Q HA 0.345 4.684 4.340 -0.000 0.000 0.252 377 Q C -1.032 174.895 176.000 -0.121 0.000 1.042 377 Q CA -0.652 54.786 55.803 -0.608 0.000 0.766 377 Q CB 1.365 29.543 28.738 -0.933 0.000 1.196 377 Q HN 0.635 nan 8.270 nan 0.000 0.504 378 C N 1.043 120.397 119.300 0.090 0.000 2.601 378 C HA 0.290 4.750 4.460 -0.000 0.000 0.409 378 C C 1.952 177.039 174.990 0.162 0.000 1.293 378 C CA -0.171 58.946 59.018 0.164 0.000 2.101 378 C CB 0.232 28.101 27.740 0.216 0.000 2.639 378 C HN 0.994 nan 8.230 nan 0.000 0.592 379 A N 2.717 125.614 122.820 0.129 0.000 1.930 379 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 379 A C 1.142 178.781 177.584 0.092 0.000 1.175 379 A CA 1.376 53.476 52.037 0.106 0.000 0.627 379 A CB -0.120 18.933 19.000 0.088 0.000 0.815 379 A HN 0.762 nan 8.150 nan 0.000 0.443 380 S N -1.494 114.253 115.700 0.080 0.000 2.526 380 S HA 0.653 5.123 4.470 -0.000 0.000 0.293 380 S C 0.016 174.643 174.600 0.045 0.000 1.092 380 S CA -0.293 57.933 58.200 0.042 0.000 0.980 380 S CB 1.696 64.892 63.200 -0.006 0.000 1.048 380 S HN 0.730 nan 8.310 nan 0.000 0.483 381 A N 1.173 124.016 122.820 0.039 0.000 2.386 381 A HA 0.720 5.040 4.320 -0.000 0.000 0.246 381 A C 1.317 178.886 177.584 -0.025 0.000 1.089 381 A CA 0.517 52.577 52.037 0.039 0.000 0.790 381 A CB -0.395 18.630 19.000 0.043 0.000 1.042 381 A HN 1.524 nan 8.150 nan 0.000 0.497 382 G N -1.115 107.655 108.800 -0.049 0.000 3.675 382 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.206 382 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.206 382 G C 0.847 175.625 174.900 -0.203 0.000 1.086 382 G CA 0.534 45.567 45.100 -0.111 0.000 0.894 382 G HN 1.253 nan 8.290 nan 0.000 0.412 383 L N 0.880 121.901 121.223 -0.337 0.000 2.127 383 L HA 0.311 4.651 4.340 -0.000 0.000 0.211 383 L C 1.704 178.048 176.870 -0.876 0.000 1.089 383 L CA 2.070 56.503 54.840 -0.679 0.000 0.757 383 L CB -0.592 40.903 42.059 -0.940 0.000 0.899 383 L HN 0.259 nan 8.230 nan 0.000 0.434 384 F N -1.272 118.596 119.950 -0.135 0.000 2.647 384 F HA 0.326 4.852 4.527 -0.000 0.000 0.300 384 F C 0.725 176.472 175.800 -0.088 0.000 1.106 384 F CA -0.816 57.099 58.000 -0.141 0.000 1.313 384 F CB -0.679 38.242 39.000 -0.132 0.000 1.007 384 F HN 0.051 nan 8.300 nan 0.000 0.536 385 N N 2.745 121.442 118.700 -0.005 0.000 2.426 385 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 385 N C -1.909 173.585 175.510 -0.027 0.000 1.002 385 N CA -2.304 50.742 53.050 -0.006 0.000 0.942 385 N CB 1.688 40.160 38.487 -0.024 0.000 1.112 385 N HN -0.128 nan 8.380 nan 0.000 0.499 386 P HA -0.049 nan 4.420 nan 0.000 0.228 386 P C 0.815 178.101 177.300 -0.023 0.000 1.151 386 P CA 1.022 64.113 63.100 -0.015 0.000 0.770 386 P CB -0.064 31.636 31.700 -0.000 0.000 0.786 387 T N -3.972 110.567 114.554 -0.025 0.000 3.129 387 T HA 0.167 4.517 4.350 -0.000 0.000 0.251 387 T C 0.483 175.159 174.700 -0.040 0.000 1.117 387 T CA -0.138 61.946 62.100 -0.027 0.000 1.034 387 T CB -0.560 68.295 68.868 -0.022 0.000 0.968 387 T HN -0.196 nan 8.240 nan 0.000 0.526 388 V N 2.899 122.781 119.914 -0.054 0.000 2.417 388 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 388 V C -0.769 175.278 176.094 -0.078 0.000 1.024 388 V CA -1.127 61.130 62.300 -0.073 0.000 0.861 388 V CB 1.465 33.230 31.823 -0.097 0.000 0.985 388 V HN 0.430 nan 8.190 nan 0.000 0.436 389 N N 3.143 121.803 118.700 -0.066 0.000 2.272 389 N HA 0.861 5.601 4.740 -0.000 0.000 0.305 389 N C 0.089 175.568 175.510 -0.051 0.000 1.103 389 N CA 0.066 53.082 53.050 -0.056 0.000 0.791 389 N CB 2.698 41.162 38.487 -0.038 0.000 1.356 389 N HN 0.972 nan 8.380 nan 0.000 0.486 390 G N -0.347 108.427 108.800 -0.042 0.000 2.332 390 G HA2 0.220 4.180 3.960 -0.000 0.000 0.265 390 G HA3 0.220 4.180 3.960 -0.000 0.000 0.265 390 G C -1.451 173.444 174.900 -0.009 0.000 1.329 390 G CA -0.290 44.800 45.100 -0.017 0.000 0.949 390 G HN 0.748 nan 8.290 nan 0.000 0.476 391 T N -3.120 111.454 114.554 0.034 0.000 2.883 391 T HA 0.816 5.166 4.350 -0.000 0.000 0.301 391 T C -1.355 173.421 174.700 0.127 0.000 1.158 391 T CA -0.197 61.930 62.100 0.045 0.000 1.007 391 T CB 1.875 70.763 68.868 0.033 0.000 1.186 391 T HN 2.080 nan 8.240 nan 0.000 0.499 392 V N 0.477 120.460 119.914 0.115 0.000 2.760 392 V HA 0.874 4.994 4.120 -0.000 0.000 0.309 392 V C -1.177 174.973 176.094 0.094 0.000 1.077 392 V CA -0.364 62.044 62.300 0.179 0.000 0.910 392 V CB 1.392 33.380 31.823 0.274 0.000 1.008 392 V HN 1.608 nan 8.190 nan 0.000 0.424 393 A N 6.892 129.745 122.820 0.054 0.000 2.374 393 A HA 0.913 5.233 4.320 -0.000 0.000 0.305 393 A C -1.242 176.382 177.584 0.067 0.000 1.053 393 A CA -0.526 51.547 52.037 0.061 0.000 0.726 393 A CB 1.485 20.507 19.000 0.037 0.000 1.229 393 A HN 1.310 nan 8.150 nan 0.000 0.431 394 I N 1.547 122.186 120.570 0.115 0.000 2.686 394 I HA 0.784 4.954 4.170 -0.000 0.000 0.295 394 I C 0.068 176.252 176.117 0.111 0.000 1.114 394 I CA 0.489 61.851 61.300 0.102 0.000 1.038 394 I CB 2.233 40.302 38.000 0.115 0.000 1.238 394 I HN 1.463 nan 8.210 nan 0.000 0.420 395 G N 5.885 114.699 108.800 0.024 0.000 2.359 395 G HA2 0.113 4.073 3.960 -0.000 0.000 0.303 395 G HA3 0.113 4.073 3.960 -0.000 0.000 0.303 395 G C -3.247 171.605 174.900 -0.079 0.000 1.293 395 G CA -0.897 44.079 45.100 -0.207 0.000 0.964 395 G HN 0.477 nan 8.290 nan 0.000 0.531 396 P HA 0.468 nan 4.420 nan 0.000 0.276 396 P C -0.216 176.883 177.300 -0.335 0.000 1.235 396 P CA -0.199 62.423 63.100 -0.796 0.000 0.772 396 P CB 1.464 32.842 31.700 -0.536 0.000 0.871 397 V N 4.820 124.487 119.914 -0.411 0.000 2.368 397 V HA 0.137 4.257 4.120 -0.000 0.000 0.266 397 V C 0.445 176.507 176.094 -0.053 0.000 1.045 397 V CA -0.437 61.675 62.300 -0.314 0.000 0.899 397 V CB 1.324 32.886 31.823 -0.434 0.000 1.006 397 V HN 0.284 nan 8.190 nan 0.000 0.470 398 V N 5.415 125.395 119.914 0.111 0.000 2.398 398 V HA 0.429 4.549 4.120 -0.000 0.000 0.286 398 V C -0.117 176.111 176.094 0.223 0.000 1.026 398 V CA -0.577 61.801 62.300 0.131 0.000 0.868 398 V CB 1.383 33.253 31.823 0.079 0.000 0.982 398 V HN 0.894 nan 8.190 nan 0.000 0.443 399 H N 3.046 122.195 119.070 0.132 0.000 2.538 399 H HA 0.565 5.121 4.556 -0.000 0.000 0.353 399 H C -1.186 174.183 175.328 0.069 0.000 1.109 399 H CA -0.425 55.679 56.048 0.094 0.000 1.192 399 H CB 2.159 31.990 29.762 0.114 0.000 1.555 399 H HN 0.636 nan 8.280 nan 0.000 0.518 400 T N 4.759 119.051 114.554 -0.437 0.000 2.829 400 T HA 0.465 4.815 4.350 -0.000 0.000 0.280 400 T C -0.457 173.897 174.700 -0.576 0.000 0.999 400 T CA -0.502 61.363 62.100 -0.391 0.000 0.983 400 T CB 0.484 69.255 68.868 -0.161 0.000 0.968 400 T HN 0.776 nan 8.240 nan 0.000 0.446 401 C N 1.698 120.782 119.300 -0.360 0.000 3.288 401 C HA 0.813 5.273 4.460 -0.000 0.000 0.318 401 C C -3.193 171.755 174.990 -0.070 0.000 1.356 401 C CA -2.599 56.304 59.018 -0.192 0.000 1.359 401 C CB 0.845 28.515 27.740 -0.117 0.000 1.688 401 C HN 0.525 nan 8.230 nan 0.000 0.467 402 P HA 0.382 nan 4.420 nan 0.000 0.268 402 P C -0.137 177.169 177.300 0.009 0.000 1.204 402 P CA 0.712 63.806 63.100 -0.011 0.000 0.768 402 P CB 0.419 32.116 31.700 -0.004 0.000 0.842 403 A N 3.148 125.967 122.820 -0.001 0.000 2.286 403 A HA 0.526 4.846 4.320 -0.000 0.000 0.286 403 A C 1.571 179.153 177.584 -0.003 0.000 1.097 403 A CA 0.152 52.187 52.037 -0.003 0.000 0.821 403 A CB 0.090 19.063 19.000 -0.045 0.000 1.076 403 A HN 0.534 nan 8.150 nan 0.000 0.490 404 A N 0.852 123.674 122.820 0.004 0.000 2.019 404 A HA 0.145 4.465 4.320 -0.000 0.000 0.219 404 A C 1.093 178.669 177.584 -0.013 0.000 1.164 404 A CA 1.684 53.728 52.037 0.011 0.000 0.644 404 A CB -0.289 18.733 19.000 0.037 0.000 0.805 404 A HN 1.005 nan 8.150 nan 0.000 0.449 405 R N -3.539 116.936 120.500 -0.042 0.000 2.712 405 R HA 0.643 4.983 4.340 -0.000 0.000 0.272 405 R C -0.549 175.703 176.300 -0.080 0.000 1.032 405 R CA -0.375 55.694 56.100 -0.052 0.000 0.874 405 R CB 0.603 30.873 30.300 -0.050 0.000 1.256 405 R HN 0.246 nan 8.270 nan 0.000 0.468 406 A N 1.519 124.297 122.820 -0.069 0.000 2.366 406 A HA 0.497 4.817 4.320 -0.000 0.000 0.249 406 A C -2.133 175.386 177.584 -0.108 0.000 1.084 406 A CA -1.303 50.686 52.037 -0.079 0.000 0.794 406 A CB -0.401 18.569 19.000 -0.051 0.000 1.034 406 A HN 0.538 nan 8.150 nan 0.000 0.491 407 P HA 0.251 nan 4.420 nan 0.000 0.266 407 P C -0.589 176.652 177.300 -0.099 0.000 1.193 407 P CA 0.222 63.228 63.100 -0.157 0.000 0.770 407 P CB 0.481 32.103 31.700 -0.130 0.000 0.836 408 V N -0.804 119.051 119.914 -0.099 0.000 3.007 408 V HA 0.779 4.899 4.120 -0.000 0.000 0.311 408 V C -0.181 175.890 176.094 -0.038 0.000 1.120 408 V CA -0.869 61.397 62.300 -0.056 0.000 0.980 408 V CB 1.650 33.444 31.823 -0.049 0.000 1.033 408 V HN 0.615 nan 8.190 nan 0.000 0.429 409 T N 0.704 115.248 114.554 -0.018 0.000 2.918 409 T HA 0.703 5.053 4.350 -0.000 0.000 0.283 409 T C 0.559 175.259 174.700 -0.001 0.000 1.001 409 T CA -0.046 62.052 62.100 -0.002 0.000 1.041 409 T CB 1.446 70.317 68.868 0.004 0.000 1.028 409 T HN 1.842 nan 8.240 nan 0.000 0.511 410 V N 0.000 119.919 119.914 0.008 0.000 2.409 410 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 410 V CA 0.000 62.306 62.300 0.009 0.000 1.235 410 V CB 0.000 31.833 31.823 0.016 0.000 1.184 410 V HN 0.000 nan 8.190 nan 0.000 0.556