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 1svm_1_D DATA FIRST_RESID 266 DATA SEQUENCE KQVSWKLVTE YAMETKCDDV LLLLGMYLEF QYSFEMCLKC IKKEQPSHYK DATA SEQUENCE YHEKHYANAA IFADSKNQKT ICQQAVDTVL AKKRVDSLQL TREQMLTNRF DATA SEQUENCE NDLLDRMDIM FGSTGSADIE EWMAGVAWLH CLLPKMDSVV YDFLKCMVYN DATA SEQUENCE IPKKRYWLFK GPIDSGKTTL AAALLELCGG KALNVNLPLD RLNFELGVAI DATA SEQUENCE DQFLVVFEDV KGTGGESRDL PSGQGINNLD NLRDYLDGSV KVNLEKKHLN DATA SEQUENCE KRTQIFPPGI VTMNEYSVPK TLQARFVKQI DFRPKDYLKH CLERSEFLLE DATA SEQUENCE KRIIQSGIAL LLMLIWYRPV AEFAQSIQSR IVEWKERLDK EFSLSVYQKM DATA SEQUENCE KFNVAMGIGV LD 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 266 K HA 0.000 nan 4.320 nan 0.000 0.191 266 K C 0.000 176.630 176.600 0.050 0.000 0.988 266 K CA 0.000 56.307 56.287 0.034 0.000 0.838 266 K CB 0.000 32.515 32.500 0.025 0.000 1.064 267 Q N 2.253 122.092 119.800 0.065 0.000 2.316 267 Q HA 0.339 4.679 4.340 -0.000 0.000 0.264 267 Q C -0.452 175.629 176.000 0.136 0.000 0.987 267 Q CA -0.741 55.118 55.803 0.094 0.000 0.852 267 Q CB 1.662 30.450 28.738 0.083 0.000 1.287 267 Q HN 0.118 nan 8.270 nan 0.000 0.448 268 V N 1.861 121.884 119.914 0.183 0.000 2.740 268 V HA 0.357 4.477 4.120 -0.000 0.000 0.303 268 V C 0.152 176.434 176.094 0.313 0.000 1.054 268 V CA -0.271 62.169 62.300 0.235 0.000 1.106 268 V CB 1.120 33.081 31.823 0.231 0.000 0.957 268 V HN 0.791 nan 8.190 nan 0.000 0.486 269 S N 4.561 120.422 115.700 0.268 0.000 2.399 269 S HA 0.282 4.752 4.470 -0.000 0.000 0.301 269 S C 0.407 175.199 174.600 0.321 0.000 1.093 269 S CA -0.584 57.778 58.200 0.270 0.000 1.077 269 S CB -0.055 63.253 63.200 0.181 0.000 0.980 269 S HN 0.779 nan 8.310 nan 0.000 0.494 270 W N 4.204 125.535 121.300 0.052 0.000 2.363 270 W HA 0.037 4.697 4.660 -0.000 0.000 0.296 270 W C 2.308 178.832 176.519 0.010 0.000 1.212 270 W CA 0.592 57.955 57.345 0.029 0.000 1.260 270 W CB -0.382 29.094 29.460 0.028 0.000 1.131 270 W HN 0.631 nan 8.180 nan 0.000 0.530 271 K N 0.287 120.845 120.400 0.264 0.000 2.103 271 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 271 K C 1.931 178.616 176.600 0.141 0.000 1.048 271 K CA 1.263 57.647 56.287 0.161 0.000 0.930 271 K CB -0.463 32.109 32.500 0.120 0.000 0.716 271 K HN 0.155 nan 8.250 nan 0.000 0.444 272 L N 0.188 121.508 121.223 0.162 0.000 2.093 272 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 272 L C 2.200 179.193 176.870 0.206 0.000 1.085 272 L CA 0.652 55.631 54.840 0.231 0.000 0.755 272 L CB -0.162 42.056 42.059 0.265 0.000 0.904 272 L HN 0.052 nan 8.230 nan 0.000 0.435 273 V N -0.824 119.057 119.914 -0.056 0.000 2.307 273 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 273 V C 2.517 178.529 176.094 -0.136 0.000 1.045 273 V CA 2.265 64.320 62.300 -0.408 0.000 1.024 273 V CB -0.805 30.628 31.823 -0.650 0.000 0.651 273 V HN 0.449 nan 8.190 nan 0.000 0.449 274 T N -0.333 114.199 114.554 -0.036 0.000 2.684 274 T HA -0.276 4.074 4.350 -0.000 0.000 0.267 274 T C 1.875 176.585 174.700 0.015 0.000 1.036 274 T CA 1.976 64.075 62.100 -0.002 0.000 1.148 274 T CB -0.259 68.638 68.868 0.048 0.000 0.863 274 T HN 0.684 nan 8.240 nan 0.000 0.436 275 E N -0.212 120.038 120.200 0.083 0.000 2.058 275 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 275 E C 2.057 178.710 176.600 0.088 0.000 0.997 275 E CA 1.282 57.751 56.400 0.115 0.000 0.801 275 E CB -0.293 29.528 29.700 0.202 0.000 0.746 275 E HN 0.634 nan 8.360 nan 0.000 0.450 276 Y N 0.745 121.027 120.300 -0.030 0.000 2.181 276 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 276 Y C 2.065 177.828 175.900 -0.229 0.000 1.146 276 Y CA 1.738 59.702 58.100 -0.226 0.000 1.164 276 Y CB -0.730 37.508 38.460 -0.371 0.000 0.982 276 Y HN 0.147 nan 8.280 nan 0.000 0.515 277 A N 0.475 123.115 122.820 -0.300 0.000 1.908 277 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 277 A C 2.252 179.666 177.584 -0.284 0.000 1.181 277 A CA 2.071 53.908 52.037 -0.333 0.000 0.627 277 A CB -0.710 18.195 19.000 -0.159 0.000 0.818 277 A HN 0.510 nan 8.150 nan 0.000 0.445 278 M N -0.536 118.960 119.600 -0.173 0.000 2.117 278 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 278 M C 1.946 178.165 176.300 -0.135 0.000 1.065 278 M CA 1.257 56.488 55.300 -0.114 0.000 1.114 278 M CB -1.282 31.291 32.600 -0.045 0.000 1.361 278 M HN 0.405 nan 8.290 nan 0.000 0.408 279 E N -0.032 120.067 120.200 -0.168 0.000 2.153 279 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 279 E C 1.782 178.252 176.600 -0.216 0.000 0.988 279 E CA 1.878 58.203 56.400 -0.126 0.000 0.811 279 E CB -0.261 29.403 29.700 -0.060 0.000 0.746 279 E HN 0.613 nan 8.360 nan 0.000 0.466 280 T N -2.289 112.001 114.554 -0.440 0.000 3.069 280 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 280 T C 0.486 175.036 174.700 -0.250 0.000 1.053 280 T CA -0.318 61.549 62.100 -0.388 0.000 0.964 280 T CB 0.037 68.513 68.868 -0.654 0.000 1.005 280 T HN 0.012 nan 8.240 nan 0.000 0.532 281 K N 0.035 120.311 120.400 -0.207 0.000 3.156 281 K HA -0.175 4.145 4.320 -0.000 0.000 0.266 281 K C -0.090 176.427 176.600 -0.139 0.000 0.966 281 K CA 0.247 56.451 56.287 -0.137 0.000 0.719 281 K CB -2.471 29.975 32.500 -0.090 0.000 1.333 281 K HN 0.617 nan 8.250 nan 0.000 0.468 282 C N 2.577 121.764 119.300 -0.187 0.000 2.349 282 C HA 0.182 4.641 4.460 -0.000 0.000 0.348 282 C C 0.858 175.787 174.990 -0.102 0.000 1.223 282 C CA -0.124 58.803 59.018 -0.150 0.000 1.746 282 C CB -0.319 27.302 27.740 -0.197 0.000 2.360 282 C HN 0.526 nan 8.230 nan 0.000 0.533 283 D N 2.662 123.020 120.400 -0.070 0.000 2.559 283 D HA 0.164 4.803 4.640 -0.000 0.000 0.234 283 D C -0.298 175.982 176.300 -0.033 0.000 1.226 283 D CA 0.011 53.982 54.000 -0.049 0.000 0.830 283 D CB -0.114 40.661 40.800 -0.041 0.000 1.028 283 D HN 0.527 nan 8.370 nan 0.000 0.492 284 D N 0.566 120.945 120.400 -0.035 0.000 2.440 284 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 284 D C 1.262 177.552 176.300 -0.017 0.000 1.084 284 D CA -0.682 53.306 54.000 -0.019 0.000 0.843 284 D CB 2.185 42.974 40.800 -0.018 0.000 1.097 284 D HN -0.163 nan 8.370 nan 0.000 0.531 285 V N 4.425 124.335 119.914 -0.008 0.000 2.332 285 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 285 V C 2.512 178.606 176.094 0.001 0.000 1.055 285 V CA 1.390 63.686 62.300 -0.006 0.000 1.038 285 V CB -0.433 31.391 31.823 0.001 0.000 0.651 285 V HN 0.624 nan 8.190 nan 0.000 0.450 286 L N -0.957 120.270 121.223 0.006 0.000 2.093 286 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 286 L C 2.432 179.307 176.870 0.008 0.000 1.085 286 L CA 1.092 55.939 54.840 0.011 0.000 0.755 286 L CB -0.523 41.543 42.059 0.012 0.000 0.904 286 L HN 0.345 nan 8.230 nan 0.000 0.435 287 L N -0.146 121.077 121.223 0.000 0.000 2.017 287 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 287 L C 2.320 179.192 176.870 0.003 0.000 1.073 287 L CA 1.603 56.441 54.840 -0.003 0.000 0.745 287 L CB -0.539 41.514 42.059 -0.010 0.000 0.894 287 L HN 0.115 nan 8.230 nan 0.000 0.432 288 L N -0.856 120.367 121.223 0.001 0.000 2.012 288 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 288 L C 2.356 179.229 176.870 0.005 0.000 1.073 288 L CA 2.007 56.857 54.840 0.017 0.000 0.748 288 L CB -0.985 41.059 42.059 -0.025 0.000 0.891 288 L HN 0.407 nan 8.230 nan 0.000 0.431 289 L N -0.122 121.108 121.223 0.012 0.000 2.012 289 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 289 L C 2.322 179.217 176.870 0.042 0.000 1.073 289 L CA 2.238 57.115 54.840 0.062 0.000 0.748 289 L CB -1.492 40.620 42.059 0.089 0.000 0.891 289 L HN 0.323 nan 8.230 nan 0.000 0.431 290 G N -0.988 107.818 108.800 0.010 0.000 2.418 290 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 290 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 290 G C 1.469 176.311 174.900 -0.096 0.000 1.158 290 G CA 0.973 46.063 45.100 -0.017 0.000 0.771 290 G HN 0.305 nan 8.290 nan 0.000 0.545 291 M N -0.621 118.908 119.600 -0.117 0.000 2.086 291 M HA 0.040 4.520 4.480 -0.000 0.000 0.261 291 M C 2.331 178.215 176.300 -0.694 0.000 1.067 291 M CA 0.833 55.965 55.300 -0.279 0.000 1.116 291 M CB -1.183 31.384 32.600 -0.055 0.000 1.348 291 M HN 0.316 nan 8.290 nan 0.000 0.407 292 Y N 0.873 120.797 120.300 -0.626 0.000 2.242 292 Y HA -0.121 4.428 4.550 -0.000 0.000 0.291 292 Y C 2.228 177.824 175.900 -0.507 0.000 1.137 292 Y CA 1.349 59.004 58.100 -0.741 0.000 1.181 292 Y CB -0.357 37.666 38.460 -0.728 0.000 0.989 292 Y HN 0.107 nan 8.280 nan 0.000 0.527 293 L N -0.388 120.722 121.223 -0.189 0.000 2.275 293 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 293 L C 1.991 178.759 176.870 -0.170 0.000 1.119 293 L CA 1.263 56.067 54.840 -0.059 0.000 0.790 293 L CB -0.394 41.705 42.059 0.066 0.000 0.919 293 L HN 0.251 nan 8.230 nan 0.000 0.443 294 E N -0.404 119.629 120.200 -0.279 0.000 2.268 294 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 294 E C 1.651 178.166 176.600 -0.141 0.000 0.995 294 E CA 0.773 57.088 56.400 -0.142 0.000 0.836 294 E CB 0.053 29.624 29.700 -0.216 0.000 0.763 294 E HN 0.417 nan 8.360 nan 0.000 0.491 295 F N 1.341 121.111 119.950 -0.301 0.000 2.780 295 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 295 F C 2.383 178.187 175.800 0.006 0.000 1.146 295 F CA 0.450 58.238 58.000 -0.352 0.000 1.428 295 F CB -0.531 38.166 39.000 -0.507 0.000 1.115 295 F HN 0.063 nan 8.300 nan 0.000 0.583 296 Q N -0.255 119.540 119.800 -0.010 0.000 2.291 296 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 296 Q C -0.237 175.802 176.000 0.066 0.000 0.970 296 Q CA 1.072 56.831 55.803 -0.072 0.000 0.876 296 Q CB -0.572 27.964 28.738 -0.336 0.000 0.935 296 Q HN 0.295 nan 8.270 nan 0.000 0.455 297 Y N 1.615 122.159 120.300 0.406 0.000 2.307 297 Y HA 0.210 4.760 4.550 -0.000 0.000 0.324 297 Y C 0.622 176.732 175.900 0.349 0.000 1.238 297 Y CA -1.140 57.177 58.100 0.361 0.000 1.280 297 Y CB 1.026 39.618 38.460 0.220 0.000 1.248 297 Y HN -0.022 nan 8.280 nan 0.000 0.508 298 S N 2.515 118.354 115.700 0.232 0.000 2.702 298 S HA -0.133 4.337 4.470 -0.000 0.000 0.314 298 S C 0.850 175.226 174.600 -0.373 0.000 1.244 298 S CA -0.158 57.843 58.200 -0.332 0.000 1.058 298 S CB -0.335 62.749 63.200 -0.193 0.000 0.783 298 S HN 0.621 nan 8.310 nan 0.000 0.503 299 F N 3.489 122.929 119.950 -0.850 0.000 2.512 299 F HA 0.322 4.849 4.527 -0.000 0.000 0.296 299 F C 1.807 177.370 175.800 -0.395 0.000 1.110 299 F CA 0.259 57.726 58.000 -0.889 0.000 1.446 299 F CB -0.390 37.926 39.000 -1.140 0.000 1.092 299 F HN 0.510 nan 8.300 nan 0.000 0.554 300 E N 1.349 120.883 120.200 -1.111 0.000 2.110 300 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 300 E C 1.431 177.855 176.600 -0.293 0.000 0.988 300 E CA 1.358 57.346 56.400 -0.687 0.000 0.804 300 E CB -0.293 28.992 29.700 -0.692 0.000 0.745 300 E HN 0.557 nan 8.360 nan 0.000 0.458 301 M N 0.115 119.575 119.600 -0.234 0.000 2.866 301 M HA 0.148 4.627 4.480 -0.000 0.000 0.319 301 M C -0.161 176.131 176.300 -0.014 0.000 1.244 301 M CA -0.329 54.913 55.300 -0.098 0.000 0.974 301 M CB 0.813 33.364 32.600 -0.083 0.000 1.291 301 M HN -0.108 nan 8.290 nan 0.000 0.513 302 C N 1.418 120.739 119.300 0.035 0.000 2.265 302 C HA 0.353 4.812 4.460 -0.000 0.000 0.332 302 C C 1.620 176.690 174.990 0.133 0.000 1.248 302 C CA -0.567 58.548 59.018 0.163 0.000 1.727 302 C CB -0.312 27.664 27.740 0.394 0.000 2.348 302 C HN 0.795 nan 8.230 nan 0.000 0.519 303 L N 4.240 125.514 121.223 0.085 0.000 2.217 303 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 303 L C 2.507 179.420 176.870 0.072 0.000 1.107 303 L CA 1.198 56.070 54.840 0.053 0.000 0.783 303 L CB -0.330 41.738 42.059 0.015 0.000 0.919 303 L HN 0.755 nan 8.230 nan 0.000 0.442 304 K N -0.775 119.679 120.400 0.089 0.000 2.097 304 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 304 K C 2.189 178.937 176.600 0.247 0.000 1.049 304 K CA 1.350 57.677 56.287 0.066 0.000 0.933 304 K CB -0.216 32.148 32.500 -0.227 0.000 0.717 304 K HN 0.341 nan 8.250 nan 0.000 0.442 305 C N 0.558 120.070 119.300 0.353 0.000 2.500 305 C HA 0.039 4.499 4.460 -0.000 0.000 0.279 305 C C 2.485 177.538 174.990 0.105 0.000 1.288 305 C CA 0.196 59.420 59.018 0.342 0.000 1.710 305 C CB -0.493 27.465 27.740 0.363 0.000 2.052 305 C HN 0.401 nan 8.230 nan 0.000 0.488 306 I N 0.863 121.480 120.570 0.078 0.000 2.226 306 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 306 I C 2.029 178.128 176.117 -0.030 0.000 1.100 306 I CA 1.331 62.636 61.300 0.009 0.000 1.374 306 I CB -0.413 37.595 38.000 0.014 0.000 1.057 306 I HN 0.271 nan 8.210 nan 0.000 0.413 307 K N 0.926 121.322 120.400 -0.007 0.000 2.487 307 K HA 0.021 4.341 4.320 -0.000 0.000 0.192 307 K C 0.188 176.753 176.600 -0.058 0.000 1.027 307 K CA 0.121 56.394 56.287 -0.022 0.000 1.054 307 K CB -0.136 32.367 32.500 0.005 0.000 0.824 307 K HN 0.174 nan 8.250 nan 0.000 0.510 308 K N 1.141 121.459 120.400 -0.138 0.000 3.490 308 K HA -0.216 4.104 4.320 -0.000 0.000 0.273 308 K C 0.327 176.943 176.600 0.028 0.000 0.916 308 K CA 0.631 56.677 56.287 -0.402 0.000 0.718 308 K CB -1.709 30.423 32.500 -0.613 0.000 1.477 308 K HN 0.490 nan 8.250 nan 0.000 0.452 309 E N 0.242 120.565 120.200 0.205 0.000 2.076 309 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 309 E C 0.213 176.980 176.600 0.278 0.000 0.979 309 E CA 0.740 57.258 56.400 0.196 0.000 0.807 309 E CB 0.177 29.943 29.700 0.110 0.000 0.761 309 E HN 0.308 nan 8.360 nan 0.000 0.454 310 Q N -0.395 119.643 119.800 0.397 0.000 2.275 310 Q HA 0.193 4.533 4.340 -0.000 0.000 0.266 310 Q C -2.245 173.759 176.000 0.006 0.000 1.002 310 Q CA -1.895 54.050 55.803 0.236 0.000 0.761 310 Q CB 1.858 30.697 28.738 0.169 0.000 1.255 310 Q HN -0.080 nan 8.270 nan 0.000 0.446 311 P HA -0.193 nan 4.420 nan 0.000 0.215 311 P C 1.272 178.435 177.300 -0.229 0.000 1.153 311 P CA 1.616 64.284 63.100 -0.721 0.000 0.853 311 P CB 0.299 31.852 31.700 -0.244 0.000 0.788 312 S N -2.465 113.267 115.700 0.053 0.000 2.500 312 S HA -0.199 4.271 4.470 -0.000 0.000 0.239 312 S C 1.800 176.681 174.600 0.468 0.000 0.989 312 S CA 1.296 59.642 58.200 0.243 0.000 0.951 312 S CB -1.118 62.152 63.200 0.118 0.000 0.759 312 S HN 0.305 nan 8.310 nan 0.000 0.523 313 H N 0.730 119.957 119.070 0.263 0.000 2.348 313 H HA 0.140 4.696 4.556 -0.000 0.000 0.306 313 H C 1.881 177.467 175.328 0.430 0.000 1.034 313 H CA 0.702 57.001 56.048 0.419 0.000 1.395 313 H CB -0.596 29.323 29.762 0.262 0.000 1.495 313 H HN 0.411 nan 8.280 nan 0.000 0.616 314 Y N 0.898 121.413 120.300 0.357 0.000 2.333 314 Y HA 0.110 4.660 4.550 -0.000 0.000 0.290 314 Y C 1.449 177.370 175.900 0.034 0.000 1.144 314 Y CA 0.789 59.013 58.100 0.208 0.000 1.228 314 Y CB -0.413 38.194 38.460 0.245 0.000 0.985 314 Y HN 0.062 nan 8.280 nan 0.000 0.542 315 K N -0.763 119.531 120.400 -0.177 0.000 2.486 315 K HA 0.008 4.328 4.320 -0.000 0.000 0.194 315 K C 0.106 176.320 176.600 -0.644 0.000 1.033 315 K CA 0.894 56.957 56.287 -0.373 0.000 1.004 315 K CB -0.109 32.022 32.500 -0.615 0.000 0.798 315 K HN 0.489 nan 8.250 nan 0.000 0.495 316 Y N -2.106 118.137 120.300 -0.095 0.000 2.441 316 Y HA 0.082 4.632 4.550 -0.000 0.000 0.266 316 Y C 1.961 177.495 175.900 -0.610 0.000 1.093 316 Y CA -0.502 57.473 58.100 -0.208 0.000 1.246 316 Y CB -0.217 38.210 38.460 -0.055 0.000 1.262 316 Y HN 0.137 nan 8.280 nan 0.000 0.518 317 H N 1.278 119.913 119.070 -0.724 0.000 2.267 317 H HA -0.281 4.275 4.556 -0.000 0.000 0.291 317 H C 2.199 177.215 175.328 -0.521 0.000 1.094 317 H CA 2.089 57.645 56.048 -0.820 0.000 1.227 317 H CB 0.209 29.775 29.762 -0.326 0.000 1.351 317 H HN 0.465 nan 8.280 nan 0.000 0.483 318 E N 0.459 120.385 120.200 -0.456 0.000 2.058 318 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 318 E C 2.376 178.645 176.600 -0.552 0.000 0.997 318 E CA 1.481 57.358 56.400 -0.871 0.000 0.801 318 E CB -0.072 29.035 29.700 -0.990 0.000 0.746 318 E HN 0.410 nan 8.360 nan 0.000 0.450 319 K N -0.561 119.602 120.400 -0.396 0.000 2.147 319 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 319 K C 1.614 177.962 176.600 -0.419 0.000 1.049 319 K CA 1.373 57.446 56.287 -0.357 0.000 0.936 319 K CB -0.013 32.297 32.500 -0.317 0.000 0.722 319 K HN 0.305 nan 8.250 nan 0.000 0.446 320 H N -1.323 117.574 119.070 -0.288 0.000 2.551 320 H HA -0.040 4.516 4.556 -0.000 0.000 0.271 320 H C 1.169 176.404 175.328 -0.154 0.000 0.984 320 H CA 0.194 56.081 56.048 -0.267 0.000 1.164 320 H CB 0.252 29.670 29.762 -0.573 0.000 1.437 320 H HN 0.254 nan 8.280 nan 0.000 0.550 321 Y N 2.507 122.745 120.300 -0.103 0.000 2.040 321 Y HA -0.326 4.224 4.550 -0.000 0.000 0.275 321 Y C 2.541 178.488 175.900 0.080 0.000 1.171 321 Y CA 1.776 59.921 58.100 0.075 0.000 1.123 321 Y CB -0.620 37.937 38.460 0.163 0.000 0.963 321 Y HN 0.136 nan 8.280 nan 0.000 0.493 322 A N 0.115 122.822 122.820 -0.189 0.000 1.883 322 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 322 A C 2.212 179.734 177.584 -0.104 0.000 1.186 322 A CA 2.105 53.984 52.037 -0.263 0.000 0.624 322 A CB -1.164 17.770 19.000 -0.110 0.000 0.822 322 A HN 0.631 nan 8.150 nan 0.000 0.444 323 N N -0.107 118.603 118.700 0.017 0.000 2.244 323 N HA -0.022 4.718 4.740 -0.000 0.000 0.183 323 N C 1.659 177.310 175.510 0.235 0.000 1.016 323 N CA 1.603 54.742 53.050 0.150 0.000 0.866 323 N CB -0.312 38.325 38.487 0.249 0.000 0.980 323 N HN 0.366 nan 8.380 nan 0.000 0.430 324 A N 0.233 123.135 122.820 0.136 0.000 1.930 324 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 324 A C 2.319 179.980 177.584 0.128 0.000 1.175 324 A CA 1.612 53.718 52.037 0.115 0.000 0.627 324 A CB -1.123 17.808 19.000 -0.115 0.000 0.815 324 A HN 0.384 nan 8.150 nan 0.000 0.443 325 A N 0.232 123.043 122.820 -0.014 0.000 1.908 325 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 325 A C 2.106 179.700 177.584 0.017 0.000 1.181 325 A CA 1.678 53.681 52.037 -0.057 0.000 0.627 325 A CB -0.640 18.230 19.000 -0.216 0.000 0.818 325 A HN 0.524 nan 8.150 nan 0.000 0.445 326 I N -2.168 118.433 120.570 0.052 0.000 2.252 326 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 326 I C 2.343 178.531 176.117 0.118 0.000 1.102 326 I CA 1.378 62.722 61.300 0.074 0.000 1.385 326 I CB -0.425 37.627 38.000 0.087 0.000 1.064 326 I HN 0.414 nan 8.210 nan 0.000 0.414 327 F N 2.279 122.260 119.950 0.051 0.000 2.154 327 F HA -0.281 4.246 4.527 -0.000 0.000 0.301 327 F C 2.476 178.284 175.800 0.013 0.000 1.087 327 F CA 1.466 59.496 58.000 0.051 0.000 1.274 327 F CB -0.209 38.894 39.000 0.173 0.000 1.009 327 F HN 0.016 nan 8.300 nan 0.000 0.485 328 A N -0.559 122.343 122.820 0.137 0.000 2.076 328 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 328 A C 1.692 179.229 177.584 -0.078 0.000 1.160 328 A CA 1.945 53.989 52.037 0.012 0.000 0.653 328 A CB -0.703 18.303 19.000 0.009 0.000 0.801 328 A HN 0.492 nan 8.150 nan 0.000 0.455 329 D N -0.696 119.663 120.400 -0.068 0.000 2.349 329 D HA 0.104 4.744 4.640 -0.000 0.000 0.214 329 D C 0.633 176.871 176.300 -0.103 0.000 1.063 329 D CA 0.271 54.232 54.000 -0.066 0.000 0.847 329 D CB 0.165 40.949 40.800 -0.026 0.000 0.933 329 D HN 0.319 nan 8.370 nan 0.000 0.513 330 S N 0.385 115.970 115.700 -0.193 0.000 2.585 330 S HA 0.095 4.565 4.470 -0.000 0.000 0.273 330 S C 1.051 175.528 174.600 -0.206 0.000 1.339 330 S CA -0.164 57.909 58.200 -0.212 0.000 1.028 330 S CB 1.149 64.137 63.200 -0.352 0.000 0.906 330 S HN -0.061 nan 8.310 nan 0.000 0.528 331 K N 2.069 122.391 120.400 -0.130 0.000 2.358 331 K HA 0.184 4.504 4.320 -0.000 0.000 0.197 331 K C -0.130 176.409 176.600 -0.103 0.000 1.025 331 K CA 0.120 56.348 56.287 -0.098 0.000 1.104 331 K CB 0.056 32.530 32.500 -0.043 0.000 0.855 331 K HN 0.548 nan 8.250 nan 0.000 0.531 332 N N 0.707 119.318 118.700 -0.149 0.000 2.497 332 N HA 0.077 4.817 4.740 -0.000 0.000 0.284 332 N C 0.321 175.663 175.510 -0.279 0.000 1.459 332 N CA -0.165 52.802 53.050 -0.138 0.000 0.899 332 N CB 0.840 39.317 38.487 -0.016 0.000 1.316 332 N HN 0.041 nan 8.380 nan 0.000 0.500 333 Q N 0.849 120.429 119.800 -0.367 0.000 2.045 333 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 333 Q C 1.737 177.648 176.000 -0.149 0.000 0.991 333 Q CA 1.506 57.032 55.803 -0.462 0.000 0.851 333 Q CB -0.002 28.422 28.738 -0.524 0.000 0.911 333 Q HN 0.377 nan 8.270 nan 0.000 0.418 334 K N -0.078 120.259 120.400 -0.105 0.000 2.057 334 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 334 K C 2.087 178.643 176.600 -0.074 0.000 1.049 334 K CA 1.669 57.926 56.287 -0.049 0.000 0.931 334 K CB 0.018 32.500 32.500 -0.031 0.000 0.714 334 K HN 0.149 nan 8.250 nan 0.000 0.440 335 T N 1.551 116.044 114.554 -0.101 0.000 2.720 335 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 335 T C 1.819 176.378 174.700 -0.234 0.000 1.037 335 T CA 1.536 63.589 62.100 -0.078 0.000 1.144 335 T CB -0.174 68.702 68.868 0.014 0.000 0.864 335 T HN 0.192 nan 8.240 nan 0.000 0.444 336 I N 0.724 120.952 120.570 -0.569 0.000 2.226 336 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 336 I C 2.597 178.515 176.117 -0.332 0.000 1.100 336 I CA 0.911 61.674 61.300 -0.894 0.000 1.374 336 I CB -0.468 36.981 38.000 -0.918 0.000 1.057 336 I HN 0.321 nan 8.210 nan 0.000 0.413 337 C N -0.076 119.123 119.300 -0.169 0.000 2.435 337 C HA -0.115 4.345 4.460 -0.000 0.000 0.279 337 C C 2.818 177.771 174.990 -0.061 0.000 1.321 337 C CA 0.418 59.375 59.018 -0.103 0.000 1.752 337 C CB -0.909 26.809 27.740 -0.037 0.000 1.959 337 C HN 0.515 nan 8.230 nan 0.000 0.500 338 Q N 0.618 120.393 119.800 -0.041 0.000 2.050 338 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 338 Q C 2.208 178.224 176.000 0.028 0.000 0.980 338 Q CA 1.576 57.380 55.803 0.002 0.000 0.840 338 Q CB -0.573 28.177 28.738 0.020 0.000 0.898 338 Q HN 0.777 nan 8.270 nan 0.000 0.424 339 Q N -0.536 119.302 119.800 0.063 0.000 2.119 339 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 339 Q C 1.847 177.888 176.000 0.068 0.000 0.972 339 Q CA 1.339 57.213 55.803 0.119 0.000 0.847 339 Q CB -0.022 28.883 28.738 0.280 0.000 0.903 339 Q HN 0.338 nan 8.270 nan 0.000 0.433 340 A N -0.094 122.738 122.820 0.021 0.000 1.877 340 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 340 A C 2.202 179.772 177.584 -0.023 0.000 1.186 340 A CA 1.533 53.561 52.037 -0.014 0.000 0.620 340 A CB -0.824 18.130 19.000 -0.078 0.000 0.822 340 A HN 0.302 nan 8.150 nan 0.000 0.443 341 V N 0.704 120.602 119.914 -0.027 0.000 2.407 341 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 341 V C 2.120 178.207 176.094 -0.011 0.000 1.055 341 V CA 2.304 64.588 62.300 -0.027 0.000 1.049 341 V CB -0.812 30.998 31.823 -0.022 0.000 0.662 341 V HN 0.499 nan 8.190 nan 0.000 0.455 342 D N -0.239 120.166 120.400 0.007 0.000 2.144 342 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 342 D C 2.272 178.578 176.300 0.010 0.000 0.984 342 D CA 1.754 55.763 54.000 0.015 0.000 0.834 342 D CB -0.336 40.483 40.800 0.032 0.000 0.955 342 D HN 0.386 nan 8.370 nan 0.000 0.465 343 T N 0.316 114.878 114.554 0.012 0.000 2.788 343 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 343 T C 2.213 176.909 174.700 -0.008 0.000 1.044 343 T CA 0.599 62.704 62.100 0.008 0.000 1.139 343 T CB -0.160 68.717 68.868 0.015 0.000 0.867 343 T HN -0.013 nan 8.240 nan 0.000 0.454 344 V N 1.471 121.373 119.914 -0.021 0.000 2.358 344 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 344 V C 2.456 178.535 176.094 -0.026 0.000 1.047 344 V CA 1.347 63.626 62.300 -0.034 0.000 1.035 344 V CB -0.633 31.158 31.823 -0.054 0.000 0.658 344 V HN 0.445 nan 8.190 nan 0.000 0.452 345 L N 0.077 121.288 121.223 -0.019 0.000 2.083 345 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 345 L C 2.737 179.600 176.870 -0.011 0.000 1.083 345 L CA 1.509 56.340 54.840 -0.015 0.000 0.752 345 L CB -0.805 41.248 42.059 -0.009 0.000 0.899 345 L HN 0.369 nan 8.230 nan 0.000 0.433 346 A N 0.358 123.175 122.820 -0.006 0.000 1.902 346 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 346 A C 2.305 179.884 177.584 -0.007 0.000 1.181 346 A CA 2.007 54.042 52.037 -0.003 0.000 0.623 346 A CB -0.405 18.596 19.000 0.003 0.000 0.818 346 A HN 0.243 nan 8.150 nan 0.000 0.443 347 K N 0.301 120.696 120.400 -0.010 0.000 2.063 347 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 347 K C 1.838 178.429 176.600 -0.014 0.000 1.048 347 K CA 1.777 58.057 56.287 -0.012 0.000 0.928 347 K CB -0.164 32.327 32.500 -0.015 0.000 0.713 347 K HN 0.293 nan 8.250 nan 0.000 0.442 348 K N 0.244 120.634 120.400 -0.018 0.000 2.097 348 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 348 K C 2.293 178.883 176.600 -0.016 0.000 1.049 348 K CA 1.328 57.604 56.287 -0.018 0.000 0.933 348 K CB -0.255 32.231 32.500 -0.022 0.000 0.717 348 K HN 0.115 nan 8.250 nan 0.000 0.442 349 R N 1.081 121.573 120.500 -0.014 0.000 2.075 349 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 349 R C 2.160 178.452 176.300 -0.013 0.000 1.126 349 R CA 0.978 57.070 56.100 -0.014 0.000 0.963 349 R CB -0.489 29.805 30.300 -0.010 0.000 0.858 349 R HN -0.070 nan 8.270 nan 0.000 0.435 350 V N 1.125 121.032 119.914 -0.011 0.000 2.295 350 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 350 V C 1.589 177.676 176.094 -0.012 0.000 1.049 350 V CA 2.213 64.507 62.300 -0.010 0.000 1.024 350 V CB -0.525 31.293 31.823 -0.008 0.000 0.648 350 V HN 0.356 nan 8.190 nan 0.000 0.447 351 D N 0.081 120.474 120.400 -0.012 0.000 2.149 351 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 351 D C 2.422 178.716 176.300 -0.010 0.000 0.990 351 D CA 1.667 55.660 54.000 -0.012 0.000 0.839 351 D CB -0.265 40.527 40.800 -0.013 0.000 0.948 351 D HN 0.365 nan 8.370 nan 0.000 0.460 352 S N -0.077 115.617 115.700 -0.011 0.000 2.399 352 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 352 S C 2.058 176.646 174.600 -0.020 0.000 1.022 352 S CA 0.517 58.710 58.200 -0.013 0.000 0.983 352 S CB 0.033 63.220 63.200 -0.021 0.000 0.803 352 S HN 0.259 nan 8.310 nan 0.000 0.480 353 L N 0.229 121.441 121.223 -0.019 0.000 2.354 353 L HA 0.118 4.458 4.340 -0.000 0.000 0.212 353 L C 2.158 179.016 176.870 -0.020 0.000 1.091 353 L CA 0.700 55.527 54.840 -0.021 0.000 0.828 353 L CB -0.124 41.924 42.059 -0.018 0.000 0.973 353 L HN 0.254 nan 8.230 nan 0.000 0.461 354 Q N -0.678 119.112 119.800 -0.017 0.000 2.316 354 Q HA 0.266 4.606 4.340 -0.000 0.000 0.235 354 Q C 0.234 176.223 176.000 -0.019 0.000 0.863 354 Q CA -0.063 55.730 55.803 -0.017 0.000 0.939 354 Q CB 0.973 29.703 28.738 -0.014 0.000 1.108 354 Q HN 0.359 nan 8.270 nan 0.000 0.522 355 L N 1.685 122.897 121.223 -0.018 0.000 2.421 355 L HA 0.278 4.617 4.340 -0.000 0.000 0.263 355 L C 0.728 177.583 176.870 -0.024 0.000 1.122 355 L CA -0.647 54.181 54.840 -0.020 0.000 0.804 355 L CB 0.990 43.038 42.059 -0.017 0.000 1.150 355 L HN 0.066 nan 8.230 nan 0.000 0.457 356 T N -1.856 112.679 114.554 -0.032 0.000 2.868 356 T HA 0.215 4.565 4.350 -0.000 0.000 0.292 356 T C 1.054 175.738 174.700 -0.026 0.000 1.028 356 T CA -0.570 61.504 62.100 -0.045 0.000 1.059 356 T CB 1.001 69.832 68.868 -0.061 0.000 0.991 356 T HN 0.532 nan 8.240 nan 0.000 0.531 357 R N 0.282 120.768 120.500 -0.023 0.000 2.152 357 R HA -0.085 4.254 4.340 -0.000 0.000 0.232 357 R C 2.444 178.777 176.300 0.056 0.000 1.117 357 R CA 1.518 57.663 56.100 0.075 0.000 0.981 357 R CB -0.222 30.093 30.300 0.024 0.000 0.870 357 R HN 0.902 nan 8.270 nan 0.000 0.451 358 E N 1.209 121.382 120.200 -0.045 0.000 2.106 358 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 358 E C 1.740 178.270 176.600 -0.116 0.000 0.984 358 E CA 1.130 57.475 56.400 -0.092 0.000 0.806 358 E CB 0.154 29.798 29.700 -0.093 0.000 0.750 358 E HN 0.396 nan 8.360 nan 0.000 0.458 359 Q N -0.235 119.518 119.800 -0.079 0.000 2.167 359 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 359 Q C 2.263 178.201 176.000 -0.103 0.000 0.970 359 Q CA 1.538 57.295 55.803 -0.075 0.000 0.855 359 Q CB -0.067 28.643 28.738 -0.046 0.000 0.911 359 Q HN 0.419 nan 8.270 nan 0.000 0.438 360 M N 0.178 119.720 119.600 -0.096 0.000 2.086 360 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 360 M C 2.204 178.304 176.300 -0.333 0.000 1.067 360 M CA 1.362 56.578 55.300 -0.140 0.000 1.116 360 M CB -0.287 32.310 32.600 -0.006 0.000 1.348 360 M HN 0.248 nan 8.290 nan 0.000 0.407 361 L N -0.306 120.633 121.223 -0.472 0.000 2.083 361 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 361 L C 2.401 178.911 176.870 -0.600 0.000 1.083 361 L CA 1.466 55.885 54.840 -0.702 0.000 0.752 361 L CB -0.523 41.095 42.059 -0.734 0.000 0.899 361 L HN 0.364 nan 8.230 nan 0.000 0.433 362 T N -0.216 114.108 114.554 -0.383 0.000 2.720 362 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 362 T C 1.613 176.269 174.700 -0.073 0.000 1.037 362 T CA 1.499 63.479 62.100 -0.200 0.000 1.144 362 T CB -0.223 68.590 68.868 -0.092 0.000 0.864 362 T HN 0.352 nan 8.240 nan 0.000 0.444 363 N N 0.838 119.482 118.700 -0.093 0.000 2.120 363 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 363 N C 1.995 177.494 175.510 -0.018 0.000 1.024 363 N CA 0.932 53.957 53.050 -0.042 0.000 0.852 363 N CB -0.344 38.109 38.487 -0.056 0.000 1.003 363 N HN 0.213 nan 8.380 nan 0.000 0.424 364 R N 0.580 121.041 120.500 -0.066 0.000 2.073 364 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 364 R C 1.842 178.252 176.300 0.183 0.000 1.134 364 R CA 1.136 57.237 56.100 0.002 0.000 0.952 364 R CB -0.892 29.354 30.300 -0.090 0.000 0.850 364 R HN 0.058 nan 8.270 nan 0.000 0.433 365 F N 1.258 121.168 119.950 -0.067 0.000 2.126 365 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 365 F C 2.058 177.844 175.800 -0.023 0.000 1.096 365 F CA 1.211 59.196 58.000 -0.026 0.000 1.255 365 F CB -0.947 38.070 39.000 0.028 0.000 0.997 365 F HN 0.160 nan 8.300 nan 0.000 0.479 366 N N 0.297 119.109 118.700 0.187 0.000 2.166 366 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 366 N C 1.451 176.997 175.510 0.061 0.000 1.019 366 N CA 1.336 54.449 53.050 0.105 0.000 0.856 366 N CB -0.391 38.146 38.487 0.083 0.000 0.993 366 N HN 0.278 nan 8.380 nan 0.000 0.426 367 D N 0.877 121.306 120.400 0.048 0.000 2.117 367 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 367 D C 2.187 178.485 176.300 -0.004 0.000 0.982 367 D CA 0.406 54.418 54.000 0.019 0.000 0.828 367 D CB -0.140 40.665 40.800 0.008 0.000 0.967 367 D HN 0.242 nan 8.370 nan 0.000 0.464 368 L N 0.351 121.566 121.223 -0.012 0.000 2.093 368 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 368 L C 2.528 179.322 176.870 -0.127 0.000 1.085 368 L CA 0.579 55.373 54.840 -0.077 0.000 0.755 368 L CB -0.329 41.666 42.059 -0.106 0.000 0.904 368 L HN 0.022 nan 8.230 nan 0.000 0.435 369 L N -0.560 120.598 121.223 -0.108 0.000 2.141 369 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 369 L C 2.133 179.016 176.870 0.023 0.000 1.094 369 L CA 0.835 55.599 54.840 -0.126 0.000 0.763 369 L CB -0.588 41.440 42.059 -0.050 0.000 0.908 369 L HN 0.262 nan 8.230 nan 0.000 0.437 370 D N 0.209 120.630 120.400 0.034 0.000 2.117 370 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 370 D C 2.348 178.668 176.300 0.033 0.000 0.987 370 D CA 1.099 55.135 54.000 0.061 0.000 0.829 370 D CB -0.061 40.766 40.800 0.044 0.000 0.961 370 D HN 0.253 nan 8.370 nan 0.000 0.460 371 R N -0.247 120.237 120.500 -0.028 0.000 2.092 371 R HA 0.036 4.375 4.340 -0.000 0.000 0.231 371 R C 2.424 178.642 176.300 -0.137 0.000 1.119 371 R CA 0.827 56.880 56.100 -0.080 0.000 0.970 371 R CB -0.176 30.056 30.300 -0.113 0.000 0.864 371 R HN 0.225 nan 8.270 nan 0.000 0.440 372 M N 0.515 120.037 119.600 -0.129 0.000 2.132 372 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 372 M C 1.398 177.873 176.300 0.293 0.000 1.065 372 M CA 1.416 56.662 55.300 -0.091 0.000 1.122 372 M CB -0.139 32.289 32.600 -0.287 0.000 1.365 372 M HN 0.005 nan 8.290 nan 0.000 0.411 373 D N 0.722 121.357 120.400 0.391 0.000 2.123 373 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 373 D C 1.891 178.316 176.300 0.208 0.000 0.992 373 D CA 1.421 55.662 54.000 0.402 0.000 0.833 373 D CB -0.254 40.715 40.800 0.282 0.000 0.954 373 D HN 0.392 nan 8.370 nan 0.000 0.455 374 I N 1.154 121.788 120.570 0.107 0.000 2.193 374 I HA -0.211 3.958 4.170 -0.000 0.000 0.240 374 I C 2.671 178.776 176.117 -0.019 0.000 1.084 374 I CA 0.784 62.119 61.300 0.059 0.000 1.365 374 I CB -0.360 37.674 38.000 0.057 0.000 1.064 374 I HN 0.004 nan 8.210 nan 0.000 0.410 375 M N -0.280 119.211 119.600 -0.180 0.000 2.279 375 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 375 M C 1.052 177.114 176.300 -0.397 0.000 1.062 375 M CA 2.033 57.102 55.300 -0.385 0.000 1.099 375 M CB -0.475 31.693 32.600 -0.719 0.000 1.394 375 M HN 0.026 nan 8.290 nan 0.000 0.426 376 F N 1.202 121.184 119.950 0.053 0.000 2.639 376 F HA 0.531 5.058 4.527 -0.000 0.000 0.302 376 F C 1.432 177.276 175.800 0.074 0.000 1.097 376 F CA -0.629 57.424 58.000 0.089 0.000 1.294 376 F CB -0.328 38.793 39.000 0.203 0.000 1.027 376 F HN 0.121 nan 8.300 nan 0.000 0.550 377 G N -0.286 108.619 108.800 0.175 0.000 2.568 377 G HA2 0.322 4.282 3.960 -0.000 0.000 0.293 377 G HA3 0.322 4.282 3.960 -0.000 0.000 0.293 377 G C 0.927 175.871 174.900 0.073 0.000 1.347 377 G CA 0.126 45.291 45.100 0.109 0.000 1.039 377 G HN 0.128 nan 8.290 nan 0.000 0.523 378 S N -1.436 114.291 115.700 0.044 0.000 2.419 378 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 378 S C 1.860 176.474 174.600 0.022 0.000 1.016 378 S CA 2.023 60.239 58.200 0.027 0.000 0.974 378 S CB -0.635 62.571 63.200 0.009 0.000 0.786 378 S HN 0.932 nan 8.310 nan 0.000 0.492 379 T N -1.499 113.070 114.554 0.024 0.000 3.163 379 T HA 0.516 4.866 4.350 -0.000 0.000 0.252 379 T C 0.632 175.351 174.700 0.031 0.000 1.056 379 T CA -0.069 62.040 62.100 0.015 0.000 0.947 379 T CB 0.074 68.942 68.868 -0.000 0.000 1.016 379 T HN 0.438 nan 8.240 nan 0.000 0.554 380 G N 0.491 109.310 108.800 0.033 0.000 2.471 380 G HA2 0.484 4.444 3.960 -0.000 0.000 0.332 380 G HA3 0.484 4.444 3.960 -0.000 0.000 0.332 380 G C 0.370 175.286 174.900 0.027 0.000 1.176 380 G CA -0.427 44.680 45.100 0.012 0.000 0.949 380 G HN 0.326 nan 8.290 nan 0.000 0.488 381 S N -1.220 114.491 115.700 0.017 0.000 2.650 381 S HA 0.556 5.026 4.470 -0.000 0.000 0.240 381 S C 0.728 175.381 174.600 0.088 0.000 1.007 381 S CA 0.275 58.506 58.200 0.052 0.000 0.984 381 S CB 0.406 63.636 63.200 0.049 0.000 0.910 381 S HN 1.026 nan 8.310 nan 0.000 0.509 382 A N 1.416 124.275 122.820 0.065 0.000 2.304 382 A HA 0.591 4.911 4.320 -0.000 0.000 0.301 382 A C -0.435 177.366 177.584 0.362 0.000 1.132 382 A CA -0.457 51.689 52.037 0.182 0.000 0.819 382 A CB 0.523 19.403 19.000 -0.201 0.000 1.094 382 A HN 0.310 nan 8.150 nan 0.000 0.492 383 D N 2.439 123.127 120.400 0.480 0.000 2.427 383 D HA 0.187 4.827 4.640 -0.000 0.000 0.226 383 D C 0.871 177.511 176.300 0.566 0.000 1.076 383 D CA -0.444 53.798 54.000 0.402 0.000 0.849 383 D CB 0.887 41.813 40.800 0.210 0.000 1.052 383 D HN 0.323 nan 8.370 nan 0.000 0.515 384 I N 4.110 124.944 120.570 0.439 0.000 2.399 384 I HA -0.220 3.950 4.170 -0.000 0.000 0.254 384 I C 1.895 178.256 176.117 0.406 0.000 1.146 384 I CA 1.612 63.022 61.300 0.183 0.000 1.412 384 I CB -0.094 37.886 38.000 -0.033 0.000 1.076 384 I HN 0.578 nan 8.210 nan 0.000 0.432 385 E N 0.227 120.712 120.200 0.476 0.000 2.106 385 E HA -0.240 4.109 4.350 -0.000 0.000 0.192 385 E C 1.980 178.718 176.600 0.229 0.000 0.984 385 E CA 1.311 58.007 56.400 0.492 0.000 0.806 385 E CB -0.147 29.750 29.700 0.329 0.000 0.750 385 E HN 0.641 nan 8.360 nan 0.000 0.458 386 E N -0.611 119.688 120.200 0.165 0.000 2.150 386 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 386 E C 1.613 178.319 176.600 0.178 0.000 0.985 386 E CA 0.843 57.267 56.400 0.040 0.000 0.814 386 E CB -0.101 29.473 29.700 -0.210 0.000 0.752 386 E HN 0.447 nan 8.360 nan 0.000 0.466 387 W N 0.177 121.577 121.300 0.167 0.000 2.453 387 W HA -0.010 4.650 4.660 -0.000 0.000 0.289 387 W C 2.179 178.704 176.519 0.010 0.000 1.215 387 W CA 0.386 57.818 57.345 0.146 0.000 1.297 387 W CB -0.076 29.519 29.460 0.225 0.000 1.113 387 W HN 0.033 nan 8.180 nan 0.000 0.551 388 M N -0.110 119.504 119.600 0.023 0.000 2.296 388 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 388 M C 2.138 178.409 176.300 -0.048 0.000 1.064 388 M CA 1.531 56.678 55.300 -0.256 0.000 1.109 388 M CB -1.737 30.297 32.600 -0.942 0.000 1.396 388 M HN 0.075 nan 8.290 nan 0.000 0.430 389 A N -0.067 122.793 122.820 0.067 0.000 1.930 389 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 389 A C 2.384 180.061 177.584 0.154 0.000 1.175 389 A CA 1.819 53.950 52.037 0.156 0.000 0.627 389 A CB -1.269 17.928 19.000 0.329 0.000 0.815 389 A HN 0.498 nan 8.150 nan 0.000 0.443 390 G N -0.616 108.251 108.800 0.111 0.000 2.408 390 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.217 390 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.217 390 G C 1.481 176.501 174.900 0.200 0.000 1.150 390 G CA 1.113 46.260 45.100 0.079 0.000 0.776 390 G HN 0.293 nan 8.290 nan 0.000 0.542 391 V N 1.561 121.583 119.914 0.181 0.000 2.343 391 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 391 V C 3.314 179.601 176.094 0.322 0.000 1.051 391 V CA 2.040 64.475 62.300 0.225 0.000 1.036 391 V CB -0.796 31.090 31.823 0.106 0.000 0.654 391 V HN 0.477 nan 8.190 nan 0.000 0.451 392 A N -1.051 121.943 122.820 0.291 0.000 1.877 392 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 392 A C 1.966 179.671 177.584 0.203 0.000 1.186 392 A CA 2.018 54.168 52.037 0.188 0.000 0.620 392 A CB -0.964 18.019 19.000 -0.027 0.000 0.822 392 A HN 0.705 nan 8.150 nan 0.000 0.443 393 W N 0.566 121.898 121.300 0.053 0.000 2.333 393 W HA -0.173 4.487 4.660 -0.000 0.000 0.316 393 W C 1.870 178.428 176.519 0.065 0.000 1.215 393 W CA 2.020 59.387 57.345 0.036 0.000 1.278 393 W CB -0.342 29.105 29.460 -0.021 0.000 1.154 393 W HN 0.261 nan 8.180 nan 0.000 0.486 394 L N -0.805 120.652 121.223 0.389 0.000 2.079 394 L HA -0.295 4.045 4.340 -0.000 0.000 0.210 394 L C 2.626 179.528 176.870 0.054 0.000 1.081 394 L CA 1.544 56.525 54.840 0.235 0.000 0.752 394 L CB -1.104 41.130 42.059 0.292 0.000 0.896 394 L HN 0.152 nan 8.230 nan 0.000 0.433 395 H N -1.284 117.813 119.070 0.045 0.000 2.563 395 H HA -0.067 4.489 4.556 -0.000 0.000 0.272 395 H C 1.583 176.872 175.328 -0.065 0.000 1.005 395 H CA 0.837 56.892 56.048 0.012 0.000 1.171 395 H CB 0.416 30.274 29.762 0.160 0.000 1.351 395 H HN 0.417 nan 8.280 nan 0.000 0.602 396 C N -0.207 119.015 119.300 -0.130 0.000 3.070 396 C HA 0.061 4.521 4.460 -0.000 0.000 0.280 396 C C 2.423 177.233 174.990 -0.300 0.000 1.264 396 C CA -0.425 58.482 59.018 -0.186 0.000 1.690 396 C CB -0.525 27.116 27.740 -0.166 0.000 2.049 396 C HN 0.426 nan 8.230 nan 0.000 0.636 397 L N 0.267 121.239 121.223 -0.418 0.000 2.156 397 L HA 0.213 4.553 4.340 -0.000 0.000 0.208 397 L C 0.138 176.820 176.870 -0.313 0.000 1.095 397 L CA 2.150 56.733 54.840 -0.428 0.000 0.770 397 L CB -0.015 41.817 42.059 -0.377 0.000 0.914 397 L HN 0.117 nan 8.230 nan 0.000 0.439 398 L N -1.718 119.323 121.223 -0.303 0.000 2.415 398 L HA 0.525 4.865 4.340 -0.000 0.000 0.256 398 L C -2.382 174.318 176.870 -0.284 0.000 1.010 398 L CA -1.449 53.200 54.840 -0.318 0.000 0.826 398 L CB 1.140 42.970 42.059 -0.381 0.000 1.405 398 L HN -0.253 nan 8.230 nan 0.000 0.410 399 P HA 0.230 nan 4.420 nan 0.000 0.271 399 P C -0.877 176.298 177.300 -0.208 0.000 1.218 399 P CA -0.406 62.578 63.100 -0.193 0.000 0.780 399 P CB 0.300 31.918 31.700 -0.138 0.000 0.901 400 K N 0.758 121.033 120.400 -0.207 0.000 3.311 400 K HA -0.257 4.063 4.320 -0.000 0.000 0.270 400 K C 0.838 177.312 176.600 -0.211 0.000 0.927 400 K CA 0.051 56.238 56.287 -0.167 0.000 0.706 400 K CB -1.352 31.114 32.500 -0.056 0.000 1.418 400 K HN 0.368 nan 8.250 nan 0.000 0.459 401 M N 1.986 121.335 119.600 -0.419 0.000 2.106 401 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 401 M C 1.808 178.047 176.300 -0.103 0.000 1.068 401 M CA 2.424 57.556 55.300 -0.280 0.000 1.100 401 M CB -0.164 32.220 32.600 -0.361 0.000 1.351 401 M HN 0.435 nan 8.290 nan 0.000 0.404 402 D N -1.871 118.461 120.400 -0.112 0.000 2.218 402 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 402 D C 1.562 177.921 176.300 0.098 0.000 0.976 402 D CA 1.568 55.563 54.000 -0.008 0.000 0.853 402 D CB -0.510 40.189 40.800 -0.169 0.000 0.939 402 D HN 0.412 nan 8.370 nan 0.000 0.481 403 S N -0.016 115.732 115.700 0.079 0.000 2.414 403 S HA -0.018 4.452 4.470 -0.000 0.000 0.227 403 S C 2.302 177.040 174.600 0.231 0.000 1.022 403 S CA 0.236 58.537 58.200 0.169 0.000 0.958 403 S CB 0.073 63.341 63.200 0.113 0.000 0.797 403 S HN 0.157 nan 8.310 nan 0.000 0.493 404 V N 1.593 121.607 119.914 0.166 0.000 2.295 404 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 404 V C 2.299 178.576 176.094 0.306 0.000 1.049 404 V CA 1.473 63.929 62.300 0.260 0.000 1.024 404 V CB -0.679 31.226 31.823 0.137 0.000 0.648 404 V HN 0.331 nan 8.190 nan 0.000 0.447 405 V N -0.977 119.063 119.914 0.210 0.000 2.343 405 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 405 V C 2.205 178.450 176.094 0.252 0.000 1.051 405 V CA 2.406 64.831 62.300 0.208 0.000 1.036 405 V CB -0.810 31.121 31.823 0.179 0.000 0.654 405 V HN 0.645 nan 8.190 nan 0.000 0.451 406 Y N 1.604 121.987 120.300 0.138 0.000 2.145 406 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 406 Y C 2.375 178.345 175.900 0.118 0.000 1.145 406 Y CA 1.997 60.159 58.100 0.103 0.000 1.148 406 Y CB -0.434 38.069 38.460 0.072 0.000 0.981 406 Y HN 0.328 nan 8.280 nan 0.000 0.507 407 D N -0.502 119.985 120.400 0.144 0.000 2.178 407 D HA -0.200 4.440 4.640 -0.000 0.000 0.201 407 D C 2.001 178.351 176.300 0.083 0.000 0.980 407 D CA 1.224 55.302 54.000 0.130 0.000 0.842 407 D CB -0.681 40.358 40.800 0.397 0.000 0.948 407 D HN 0.420 nan 8.370 nan 0.000 0.472 408 F N 1.481 121.302 119.950 -0.214 0.000 2.113 408 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 408 F C 2.132 177.701 175.800 -0.384 0.000 1.103 408 F CA 1.014 58.583 58.000 -0.717 0.000 1.248 408 F CB -0.356 38.191 39.000 -0.756 0.000 0.999 408 F HN -0.141 nan 8.300 nan 0.000 0.475 409 L N 0.154 121.255 121.223 -0.203 0.000 2.012 409 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 409 L C 2.585 179.294 176.870 -0.268 0.000 1.073 409 L CA 1.366 56.078 54.840 -0.213 0.000 0.748 409 L CB -0.843 41.173 42.059 -0.072 0.000 0.891 409 L HN 0.044 nan 8.230 nan 0.000 0.431 410 K N -0.413 119.800 120.400 -0.312 0.000 2.063 410 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 410 K C 2.226 178.758 176.600 -0.113 0.000 1.048 410 K CA 1.615 57.781 56.287 -0.202 0.000 0.928 410 K CB -1.157 31.132 32.500 -0.351 0.000 0.713 410 K HN 0.403 nan 8.250 nan 0.000 0.442 411 C N 1.152 120.323 119.300 -0.216 0.000 2.429 411 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 411 C C 2.661 177.485 174.990 -0.278 0.000 1.262 411 C CA 0.623 59.537 59.018 -0.174 0.000 1.733 411 C CB -0.628 27.043 27.740 -0.115 0.000 2.010 411 C HN 0.374 nan 8.230 nan 0.000 0.483 412 M N 0.374 119.665 119.600 -0.515 0.000 2.175 412 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 412 M C 2.128 178.233 176.300 -0.324 0.000 1.063 412 M CA 1.352 56.333 55.300 -0.531 0.000 1.119 412 M CB -1.408 30.836 32.600 -0.592 0.000 1.377 412 M HN 0.316 nan 8.290 nan 0.000 0.415 413 V N -1.001 118.848 119.914 -0.108 0.000 2.323 413 V HA -0.251 3.868 4.120 -0.000 0.000 0.244 413 V C 2.178 178.234 176.094 -0.064 0.000 1.041 413 V CA 1.519 63.806 62.300 -0.022 0.000 1.025 413 V CB -0.918 30.916 31.823 0.018 0.000 0.656 413 V HN 0.243 nan 8.190 nan 0.000 0.451 414 Y N 0.046 120.265 120.300 -0.135 0.000 2.274 414 Y HA -0.073 4.477 4.550 -0.000 0.000 0.290 414 Y C 1.634 177.472 175.900 -0.104 0.000 1.145 414 Y CA 0.960 59.002 58.100 -0.096 0.000 1.203 414 Y CB -0.701 37.718 38.460 -0.069 0.000 0.984 414 Y HN 0.411 nan 8.280 nan 0.000 0.533 415 N N 0.654 119.351 118.700 -0.004 0.000 2.705 415 N HA -0.239 4.501 4.740 -0.000 0.000 0.255 415 N C -0.911 174.602 175.510 0.006 0.000 1.008 415 N CA -0.246 52.763 53.050 -0.068 0.000 0.742 415 N CB -1.079 37.321 38.487 -0.145 0.000 0.906 415 N HN 0.244 nan 8.380 nan 0.000 0.541 416 I N 1.136 121.742 120.570 0.060 0.000 2.556 416 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 416 I C -1.785 174.373 176.117 0.069 0.000 1.114 416 I CA -1.627 59.717 61.300 0.073 0.000 1.418 416 I CB 0.617 38.672 38.000 0.092 0.000 1.394 416 I HN 0.080 nan 8.210 nan 0.000 0.552 417 P HA -0.096 nan 4.420 nan 0.000 0.260 417 P C 0.087 177.431 177.300 0.073 0.000 1.172 417 P CA 0.313 63.449 63.100 0.061 0.000 0.760 417 P CB 0.305 32.030 31.700 0.041 0.000 0.773 418 K N 1.395 121.851 120.400 0.093 0.000 3.349 418 K HA -0.233 4.087 4.320 -0.000 0.000 0.310 418 K C -0.277 176.396 176.600 0.121 0.000 1.267 418 K CA 1.234 57.577 56.287 0.094 0.000 0.920 418 K CB -0.862 31.668 32.500 0.051 0.000 1.240 418 K HN 0.499 nan 8.250 nan 0.000 0.453 419 K N -0.461 120.026 120.400 0.145 0.000 3.209 419 K HA 0.196 4.515 4.320 -0.000 0.000 0.202 419 K C 0.331 177.052 176.600 0.202 0.000 1.109 419 K CA -0.349 56.038 56.287 0.166 0.000 0.968 419 K CB 0.687 33.256 32.500 0.114 0.000 0.732 419 K HN 0.048 nan 8.250 nan 0.000 0.450 420 R N -0.414 120.238 120.500 0.252 0.000 2.308 420 R HA 0.177 4.517 4.340 -0.000 0.000 0.202 420 R C -0.276 176.124 176.300 0.166 0.000 0.898 420 R CA 0.430 56.637 56.100 0.180 0.000 1.046 420 R CB 0.451 30.866 30.300 0.192 0.000 1.026 420 R HN 0.048 nan 8.270 nan 0.000 0.512 421 Y N -1.196 119.326 120.300 0.371 0.000 2.429 421 Y HA 0.318 4.868 4.550 -0.000 0.000 0.342 421 Y C -0.603 175.693 175.900 0.661 0.000 1.004 421 Y CA -1.201 57.195 58.100 0.493 0.000 1.075 421 Y CB 1.183 39.982 38.460 0.565 0.000 1.214 421 Y HN -0.134 nan 8.280 nan 0.000 0.455 422 W N 4.110 125.588 121.300 0.297 0.000 2.606 422 W HA 0.595 5.255 4.660 -0.000 0.000 0.332 422 W C -1.231 175.282 176.519 -0.010 0.000 1.052 422 W CA -1.195 56.283 57.345 0.222 0.000 1.223 422 W CB 1.425 31.094 29.460 0.348 0.000 1.383 422 W HN 0.226 nan 8.180 nan 0.000 0.524 423 L N 4.097 125.378 121.223 0.096 0.000 2.313 423 L HA 0.593 4.933 4.340 -0.000 0.000 0.283 423 L C -1.478 175.619 176.870 0.379 0.000 1.013 423 L CA -0.556 54.198 54.840 -0.144 0.000 0.816 423 L CB 0.333 42.049 42.059 -0.571 0.000 1.236 423 L HN 0.091 nan 8.230 nan 0.000 0.419 424 F N 4.923 124.911 119.950 0.064 0.000 2.361 424 F HA 0.534 5.061 4.527 -0.000 0.000 0.364 424 F C 0.218 176.062 175.800 0.073 0.000 1.117 424 F CA -0.838 57.278 58.000 0.194 0.000 1.071 424 F CB 0.997 39.999 39.000 0.004 0.000 1.188 424 F HN 0.436 nan 8.300 nan 0.000 0.464 425 K N 1.686 122.286 120.400 0.335 0.000 2.316 425 K HA 0.825 5.144 4.320 -0.000 0.000 0.251 425 K C -0.343 176.377 176.600 0.200 0.000 0.934 425 K CA -0.605 55.798 56.287 0.193 0.000 0.802 425 K CB 2.292 34.877 32.500 0.142 0.000 1.171 425 K HN 0.826 nan 8.250 nan 0.000 0.426 426 G N 2.796 111.663 108.800 0.112 0.000 2.316 426 G HA2 0.210 4.170 3.960 -0.000 0.000 0.296 426 G HA3 0.210 4.170 3.960 -0.000 0.000 0.296 426 G C -3.295 171.625 174.900 0.033 0.000 1.399 426 G CA -0.961 44.195 45.100 0.092 0.000 0.833 426 G HN 0.353 nan 8.290 nan 0.000 0.565 427 P HA 0.367 nan 4.420 nan 0.000 0.274 427 P C 0.390 177.683 177.300 -0.011 0.000 1.260 427 P CA -0.496 62.598 63.100 -0.010 0.000 0.793 427 P CB 0.508 32.199 31.700 -0.015 0.000 1.048 428 I N 0.890 121.450 120.570 -0.018 0.000 2.815 428 I HA -0.103 4.067 4.170 -0.000 0.000 0.291 428 I C 0.356 176.463 176.117 -0.017 0.000 1.209 428 I CA 0.754 62.045 61.300 -0.016 0.000 1.431 428 I CB -0.388 37.603 38.000 -0.016 0.000 1.351 428 I HN 0.489 nan 8.210 nan 0.000 0.585 429 D N 3.647 124.037 120.400 -0.017 0.000 2.689 429 D HA -0.151 4.489 4.640 -0.000 0.000 0.237 429 D C 0.860 177.162 176.300 0.003 0.000 1.148 429 D CA 1.242 55.235 54.000 -0.010 0.000 0.656 429 D CB -0.900 39.890 40.800 -0.016 0.000 1.050 429 D HN 0.772 nan 8.370 nan 0.000 0.426 430 S N -1.916 113.788 115.700 0.006 0.000 2.559 430 S HA 0.448 4.918 4.470 -0.000 0.000 0.226 430 S C 1.568 176.240 174.600 0.119 0.000 1.000 430 S CA 0.623 58.854 58.200 0.051 0.000 0.948 430 S CB 1.469 64.716 63.200 0.078 0.000 0.870 430 S HN 0.938 nan 8.310 nan 0.000 0.497 431 G N 1.755 110.579 108.800 0.040 0.000 2.163 431 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.213 431 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.213 431 G C 0.742 175.499 174.900 -0.238 0.000 0.991 431 G CA 0.229 45.377 45.100 0.081 0.000 0.653 431 G HN 0.462 nan 8.290 nan 0.000 0.518 432 K N -0.198 119.837 120.400 -0.608 0.000 2.002 432 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 432 K C 2.515 179.007 176.600 -0.180 0.000 1.048 432 K CA 1.857 57.668 56.287 -0.794 0.000 0.930 432 K CB -0.356 31.819 32.500 -0.541 0.000 0.714 432 K HN 0.288 nan 8.250 nan 0.000 0.438 433 T N 0.837 115.331 114.554 -0.100 0.000 2.821 433 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 433 T C 1.915 176.624 174.700 0.015 0.000 1.046 433 T CA 1.598 63.685 62.100 -0.021 0.000 1.139 433 T CB -0.297 68.558 68.868 -0.023 0.000 0.871 433 T HN 0.282 nan 8.240 nan 0.000 0.454 434 T N 2.441 117.008 114.554 0.021 0.000 2.652 434 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 434 T C 1.851 176.614 174.700 0.105 0.000 1.039 434 T CA 1.050 63.187 62.100 0.061 0.000 1.153 434 T CB -0.460 68.475 68.868 0.112 0.000 0.863 434 T HN 0.123 nan 8.240 nan 0.000 0.428 435 L N 1.036 122.348 121.223 0.149 0.000 2.109 435 L HA 0.248 4.587 4.340 -0.000 0.000 0.207 435 L C 2.578 179.573 176.870 0.209 0.000 1.086 435 L CA 1.567 56.527 54.840 0.200 0.000 0.760 435 L CB -0.981 41.233 42.059 0.259 0.000 0.910 435 L HN 0.217 nan 8.230 nan 0.000 0.437 436 A N -0.430 122.530 122.820 0.233 0.000 1.902 436 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 436 A C 2.443 180.036 177.584 0.016 0.000 1.181 436 A CA 1.702 53.785 52.037 0.076 0.000 0.623 436 A CB -1.103 17.886 19.000 -0.019 0.000 0.818 436 A HN 0.534 nan 8.150 nan 0.000 0.443 437 A N -0.172 122.669 122.820 0.035 0.000 1.902 437 A HA 0.178 4.498 4.320 -0.000 0.000 0.217 437 A C 2.497 180.107 177.584 0.044 0.000 1.181 437 A CA 2.044 54.098 52.037 0.028 0.000 0.623 437 A CB -0.970 18.045 19.000 0.024 0.000 0.818 437 A HN 1.016 nan 8.150 nan 0.000 0.443 438 A N -0.244 122.614 122.820 0.064 0.000 1.877 438 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 438 A C 2.165 179.793 177.584 0.074 0.000 1.186 438 A CA 1.467 53.552 52.037 0.080 0.000 0.620 438 A CB -0.611 18.450 19.000 0.103 0.000 0.822 438 A HN 0.461 nan 8.150 nan 0.000 0.443 439 L N -0.998 120.251 121.223 0.044 0.000 2.083 439 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 439 L C 2.544 179.470 176.870 0.094 0.000 1.083 439 L CA 1.050 55.908 54.840 0.031 0.000 0.752 439 L CB -0.491 41.440 42.059 -0.214 0.000 0.899 439 L HN 0.480 nan 8.230 nan 0.000 0.433 440 L N 0.219 121.474 121.223 0.054 0.000 2.046 440 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 440 L C 2.430 179.340 176.870 0.067 0.000 1.077 440 L CA 1.899 56.776 54.840 0.062 0.000 0.747 440 L CB -0.531 41.540 42.059 0.020 0.000 0.896 440 L HN 0.286 nan 8.230 nan 0.000 0.432 441 E N -0.983 119.253 120.200 0.060 0.000 2.152 441 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 441 E C 2.159 178.799 176.600 0.067 0.000 0.983 441 E CA 0.972 57.405 56.400 0.055 0.000 0.818 441 E CB -0.156 29.578 29.700 0.057 0.000 0.758 441 E HN 0.469 nan 8.360 nan 0.000 0.467 442 L N 0.124 121.403 121.223 0.094 0.000 2.093 442 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 442 L C 1.837 178.816 176.870 0.182 0.000 1.085 442 L CA 1.603 56.520 54.840 0.127 0.000 0.755 442 L CB -0.153 41.998 42.059 0.155 0.000 0.904 442 L HN 0.298 nan 8.230 nan 0.000 0.435 443 C N -0.215 119.163 119.300 0.130 0.000 2.791 443 C HA 0.684 5.144 4.460 -0.000 0.000 0.288 443 C C 1.149 176.090 174.990 -0.081 0.000 1.271 443 C CA -0.113 58.903 59.018 -0.004 0.000 1.726 443 C CB -1.189 26.639 27.740 0.146 0.000 2.145 443 C HN 0.789 nan 8.230 nan 0.000 0.572 444 G N -0.115 108.700 108.800 0.024 0.000 2.777 444 G HA2 0.467 4.427 3.960 -0.000 0.000 0.686 444 G HA3 0.467 4.427 3.960 -0.000 0.000 0.686 444 G C -0.267 174.674 174.900 0.068 0.000 1.177 444 G CA -0.456 44.653 45.100 0.015 0.000 0.775 444 G HN 1.462 nan 8.290 nan 0.000 0.613 445 G N 1.171 109.990 108.800 0.032 0.000 2.356 445 G HA2 0.621 4.581 3.960 -0.000 0.000 0.266 445 G HA3 0.621 4.581 3.960 -0.000 0.000 0.266 445 G C -1.434 173.449 174.900 -0.029 0.000 1.312 445 G CA 0.063 45.169 45.100 0.009 0.000 0.922 445 G HN 1.064 nan 8.290 nan 0.000 0.480 446 K N -0.469 119.892 120.400 -0.066 0.000 2.477 446 K HA 0.806 5.126 4.320 -0.000 0.000 0.255 446 K C -0.573 175.968 176.600 -0.097 0.000 0.952 446 K CA -0.299 55.944 56.287 -0.073 0.000 0.826 446 K CB 2.270 34.719 32.500 -0.085 0.000 1.331 446 K HN 1.219 nan 8.250 nan 0.000 0.437 447 A N 2.831 125.607 122.820 -0.074 0.000 2.292 447 A HA 0.706 5.026 4.320 -0.000 0.000 0.319 447 A C -0.547 176.991 177.584 -0.077 0.000 1.206 447 A CA -0.642 51.348 52.037 -0.079 0.000 0.835 447 A CB 0.236 19.213 19.000 -0.038 0.000 1.164 447 A HN 0.546 nan 8.150 nan 0.000 0.505 448 L N 2.195 123.347 121.223 -0.117 0.000 2.342 448 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 448 L C -0.078 176.831 176.870 0.065 0.000 1.008 448 L CA -0.982 53.828 54.840 -0.049 0.000 0.818 448 L CB 1.786 43.770 42.059 -0.125 0.000 1.296 448 L HN 0.706 nan 8.230 nan 0.000 0.427 449 N N 1.775 120.530 118.700 0.091 0.000 2.501 449 N HA 0.232 4.971 4.740 -0.000 0.000 0.245 449 N C -0.129 175.455 175.510 0.123 0.000 0.974 449 N CA -0.316 52.797 53.050 0.105 0.000 0.941 449 N CB 1.953 40.479 38.487 0.064 0.000 1.122 449 N HN 0.490 nan 8.380 nan 0.000 0.507 450 V N 1.025 121.028 119.914 0.148 0.000 3.177 450 V HA 0.391 4.511 4.120 -0.000 0.000 0.342 450 V C 0.596 176.698 176.094 0.013 0.000 1.379 450 V CA -0.316 62.034 62.300 0.084 0.000 1.191 450 V CB -0.287 31.575 31.823 0.065 0.000 1.167 450 V HN 0.419 nan 8.190 nan 0.000 0.471 451 N N 0.799 119.510 118.700 0.018 0.000 2.353 451 N HA 0.307 5.047 4.740 -0.000 0.000 0.185 451 N C 0.549 176.055 175.510 -0.007 0.000 1.098 451 N CA 0.215 53.259 53.050 -0.010 0.000 0.872 451 N CB 0.642 39.126 38.487 -0.006 0.000 0.970 451 N HN 0.491 nan 8.380 nan 0.000 0.467 452 L N 1.369 122.597 121.223 0.008 0.000 2.468 452 L HA 0.307 4.647 4.340 -0.000 0.000 0.254 452 L C -1.864 175.005 176.870 -0.002 0.000 1.171 452 L CA -1.671 53.174 54.840 0.008 0.000 0.809 452 L CB -0.147 41.926 42.059 0.024 0.000 1.155 452 L HN -0.219 nan 8.230 nan 0.000 0.473 453 P HA -0.044 nan 4.420 nan 0.000 0.265 453 P C 0.226 177.518 177.300 -0.013 0.000 1.187 453 P CA -0.128 62.965 63.100 -0.012 0.000 0.766 453 P CB 0.381 32.075 31.700 -0.009 0.000 0.820 454 L N 1.585 122.793 121.223 -0.025 0.000 2.549 454 L HA -0.126 4.214 4.340 -0.000 0.000 0.229 454 L C 1.673 178.531 176.870 -0.020 0.000 1.158 454 L CA 1.530 56.352 54.840 -0.031 0.000 0.842 454 L CB -1.071 40.960 42.059 -0.048 0.000 0.952 454 L HN 0.388 nan 8.230 nan 0.000 0.452 455 D N 0.996 121.388 120.400 -0.015 0.000 2.078 455 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 455 D C 1.853 178.150 176.300 -0.005 0.000 0.990 455 D CA 1.506 55.498 54.000 -0.014 0.000 0.827 455 D CB -0.099 40.690 40.800 -0.018 0.000 0.975 455 D HN 0.495 nan 8.370 nan 0.000 0.451 456 R N 0.715 121.220 120.500 0.008 0.000 2.335 456 R HA 0.158 4.498 4.340 -0.000 0.000 0.223 456 R C 1.927 178.277 176.300 0.084 0.000 0.940 456 R CA -0.121 56.003 56.100 0.040 0.000 1.086 456 R CB -0.226 30.096 30.300 0.036 0.000 1.073 456 R HN 0.061 nan 8.270 nan 0.000 0.504 457 L N 1.726 122.977 121.223 0.047 0.000 2.017 457 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 457 L C 1.096 178.008 176.870 0.069 0.000 1.073 457 L CA 1.908 56.773 54.840 0.041 0.000 0.745 457 L CB -0.564 41.486 42.059 -0.014 0.000 0.894 457 L HN 0.118 nan 8.230 nan 0.000 0.432 458 N N -0.971 117.773 118.700 0.074 0.000 2.061 458 N HA -0.261 4.478 4.740 -0.000 0.000 0.193 458 N C 1.690 177.300 175.510 0.167 0.000 1.030 458 N CA 1.908 55.023 53.050 0.108 0.000 0.856 458 N CB -0.576 37.972 38.487 0.102 0.000 1.023 458 N HN 0.357 nan 8.380 nan 0.000 0.424 459 F N 1.214 121.173 119.950 0.015 0.000 2.234 459 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 459 F C 2.320 178.148 175.800 0.046 0.000 1.087 459 F CA 0.988 59.000 58.000 0.020 0.000 1.340 459 F CB -0.168 38.826 39.000 -0.011 0.000 1.031 459 F HN 0.009 nan 8.300 nan 0.000 0.500 460 E N 0.382 120.663 120.200 0.135 0.000 2.072 460 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 460 E C 2.133 178.772 176.600 0.064 0.000 0.985 460 E CA 1.462 57.907 56.400 0.074 0.000 0.801 460 E CB -0.499 29.263 29.700 0.104 0.000 0.750 460 E HN 0.465 nan 8.360 nan 0.000 0.452 461 L N -0.431 120.864 121.223 0.120 0.000 2.201 461 L HA -0.014 4.326 4.340 -0.000 0.000 0.212 461 L C 2.361 179.350 176.870 0.198 0.000 1.105 461 L CA 0.954 55.933 54.840 0.232 0.000 0.775 461 L CB -0.563 41.639 42.059 0.239 0.000 0.913 461 L HN 0.305 nan 8.230 nan 0.000 0.440 462 G N -0.511 108.310 108.800 0.035 0.000 2.470 462 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.220 462 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.220 462 G C 1.529 176.358 174.900 -0.119 0.000 1.121 462 G CA 0.571 45.632 45.100 -0.065 0.000 0.766 462 G HN 0.226 nan 8.290 nan 0.000 0.553 463 V N 1.117 120.954 119.914 -0.129 0.000 2.720 463 V HA -0.080 4.040 4.120 -0.000 0.000 0.256 463 V C 3.077 179.119 176.094 -0.087 0.000 1.082 463 V CA 1.578 63.805 62.300 -0.122 0.000 1.101 463 V CB -0.432 31.332 31.823 -0.098 0.000 0.693 463 V HN 0.450 nan 8.190 nan 0.000 0.479 464 A N -0.479 122.309 122.820 -0.055 0.000 2.209 464 A HA 0.120 4.439 4.320 -0.000 0.000 0.212 464 A C 1.079 178.573 177.584 -0.149 0.000 1.158 464 A CA 0.114 52.061 52.037 -0.151 0.000 0.742 464 A CB -0.522 18.305 19.000 -0.289 0.000 0.790 464 A HN 0.507 nan 8.150 nan 0.000 0.472 465 I N 1.221 121.745 120.570 -0.077 0.000 2.821 465 I HA -0.109 4.061 4.170 -0.000 0.000 0.294 465 I C 0.102 176.174 176.117 -0.075 0.000 1.210 465 I CA 0.473 61.734 61.300 -0.064 0.000 1.430 465 I CB 0.083 38.058 38.000 -0.041 0.000 1.356 465 I HN 0.320 nan 8.210 nan 0.000 0.563 466 D N 3.011 123.366 120.400 -0.074 0.000 3.059 466 D HA -0.169 4.471 4.640 -0.000 0.000 0.220 466 D C 0.066 176.331 176.300 -0.059 0.000 1.169 466 D CA 0.941 54.906 54.000 -0.059 0.000 0.902 466 D CB -0.572 40.204 40.800 -0.039 0.000 1.116 466 D HN 0.502 nan 8.370 nan 0.000 0.417 467 Q N -0.886 118.856 119.800 -0.097 0.000 2.259 467 Q HA 0.289 4.629 4.340 -0.000 0.000 0.246 467 Q C 1.084 177.046 176.000 -0.063 0.000 0.920 467 Q CA -0.456 55.302 55.803 -0.075 0.000 0.895 467 Q CB 0.659 29.323 28.738 -0.123 0.000 1.220 467 Q HN 0.146 nan 8.270 nan 0.000 0.439 468 F N 2.313 122.180 119.950 -0.137 0.000 2.146 468 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 468 F C 0.371 176.065 175.800 -0.176 0.000 1.096 468 F CA 0.800 58.714 58.000 -0.143 0.000 1.275 468 F CB 0.428 39.358 39.000 -0.117 0.000 1.008 468 F HN 0.517 nan 8.300 nan 0.000 0.480 469 L N -2.599 118.576 121.223 -0.079 0.000 2.600 469 L HA 0.746 5.085 4.340 -0.000 0.000 0.257 469 L C -1.541 175.228 176.870 -0.169 0.000 1.048 469 L CA -1.432 53.286 54.840 -0.204 0.000 0.869 469 L CB 1.622 43.612 42.059 -0.114 0.000 1.482 469 L HN -0.384 nan 8.230 nan 0.000 0.408 470 V N 0.455 120.247 119.914 -0.203 0.000 2.876 470 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 470 V C -0.973 175.027 176.094 -0.157 0.000 1.085 470 V CA -0.604 61.568 62.300 -0.214 0.000 0.945 470 V CB 2.440 34.069 31.823 -0.323 0.000 1.017 470 V HN 0.667 nan 8.190 nan 0.000 0.428 471 V N 4.173 123.976 119.914 -0.185 0.000 2.407 471 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 471 V C -0.888 175.125 176.094 -0.136 0.000 1.018 471 V CA -0.447 61.791 62.300 -0.104 0.000 0.842 471 V CB 1.437 33.212 31.823 -0.081 0.000 0.996 471 V HN 0.676 nan 8.190 nan 0.000 0.426 472 F N 3.184 123.203 119.950 0.115 0.000 2.377 472 F HA 0.370 4.897 4.527 -0.000 0.000 0.360 472 F C 0.986 176.805 175.800 0.032 0.000 1.147 472 F CA -0.215 57.839 58.000 0.090 0.000 1.170 472 F CB 0.529 39.597 39.000 0.113 0.000 1.339 472 F HN 0.416 nan 8.300 nan 0.000 0.552 473 E N 2.574 122.860 120.200 0.144 0.000 2.313 473 E HA -0.001 4.349 4.350 -0.000 0.000 0.276 473 E C -0.069 176.578 176.600 0.078 0.000 1.031 473 E CA -0.008 56.438 56.400 0.078 0.000 0.857 473 E CB 0.653 30.375 29.700 0.037 0.000 1.040 473 E HN 0.452 nan 8.360 nan 0.000 0.408 474 D N 1.662 122.096 120.400 0.057 0.000 2.810 474 D HA -0.166 4.474 4.640 -0.000 0.000 0.224 474 D C -0.906 175.419 176.300 0.042 0.000 1.222 474 D CA 0.446 54.478 54.000 0.055 0.000 0.698 474 D CB -0.676 40.152 40.800 0.046 0.000 0.961 474 D HN 0.050 nan 8.370 nan 0.000 0.403 475 V N 2.226 122.159 119.914 0.032 0.000 2.488 475 V HA 0.107 4.227 4.120 -0.000 0.000 0.277 475 V C 1.132 177.129 176.094 -0.163 0.000 1.046 475 V CA 0.008 62.286 62.300 -0.036 0.000 0.986 475 V CB 1.399 33.206 31.823 -0.026 0.000 0.989 475 V HN 0.057 nan 8.190 nan 0.000 0.475 476 K N 2.959 123.192 120.400 -0.279 0.000 2.110 476 K HA 0.644 4.964 4.320 -0.000 0.000 0.263 476 K C 0.448 176.578 176.600 -0.784 0.000 0.975 476 K CA -0.242 55.635 56.287 -0.683 0.000 0.895 476 K CB 1.992 34.268 32.500 -0.374 0.000 1.060 476 K HN 0.860 nan 8.250 nan 0.000 0.448 477 G N 0.260 108.184 108.800 -1.460 0.000 2.971 477 G HA2 0.246 4.206 3.960 -0.000 0.000 0.235 477 G HA3 0.246 4.206 3.960 -0.000 0.000 0.235 477 G C 0.288 175.055 174.900 -0.222 0.000 1.351 477 G CA -0.222 44.525 45.100 -0.588 0.000 1.039 477 G HN 0.513 nan 8.290 nan 0.000 0.563 478 T N -0.193 114.369 114.554 0.013 0.000 3.146 478 T HA 0.217 4.566 4.350 -0.000 0.000 0.235 478 T C 1.583 176.375 174.700 0.152 0.000 0.985 478 T CA 0.675 62.818 62.100 0.071 0.000 1.265 478 T CB -0.531 68.351 68.868 0.024 0.000 0.946 478 T HN 0.681 nan 8.240 nan 0.000 0.418 479 G N 0.560 109.437 108.800 0.128 0.000 2.428 479 G HA2 0.423 4.383 3.960 -0.000 0.000 0.290 479 G HA3 0.423 4.383 3.960 -0.000 0.000 0.290 479 G C 0.597 175.570 174.900 0.121 0.000 0.996 479 G CA 0.231 45.392 45.100 0.103 0.000 1.406 479 G HN 0.655 nan 8.290 nan 0.000 0.445 480 G N 2.367 111.215 108.800 0.081 0.000 4.260 480 G HA2 0.027 3.987 3.960 -0.000 0.000 0.204 480 G HA3 0.027 3.987 3.960 -0.000 0.000 0.204 480 G C 0.890 175.765 174.900 -0.042 0.000 0.952 480 G CA 0.348 45.428 45.100 -0.033 0.000 0.815 480 G HN 0.535 nan 8.290 nan 0.000 0.465 481 E N 1.173 121.379 120.200 0.010 0.000 2.409 481 E HA -0.033 4.317 4.350 -0.000 0.000 0.198 481 E C 1.656 178.247 176.600 -0.015 0.000 1.024 481 E CA 1.225 57.627 56.400 0.004 0.000 0.861 481 E CB -0.410 29.301 29.700 0.018 0.000 0.788 481 E HN 0.238 nan 8.360 nan 0.000 0.521 482 S N 0.972 116.658 115.700 -0.023 0.000 2.406 482 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 482 S C 1.545 176.121 174.600 -0.039 0.000 1.020 482 S CA 0.720 58.905 58.200 -0.025 0.000 0.965 482 S CB -0.036 63.151 63.200 -0.022 0.000 0.798 482 S HN 0.238 nan 8.310 nan 0.000 0.488 483 R N 1.142 121.603 120.500 -0.064 0.000 2.586 483 R HA 0.180 4.520 4.340 -0.000 0.000 0.306 483 R C -0.823 175.431 176.300 -0.078 0.000 1.079 483 R CA 0.014 56.066 56.100 -0.078 0.000 1.083 483 R CB 0.063 30.294 30.300 -0.115 0.000 1.306 483 R HN 0.038 nan 8.270 nan 0.000 0.567 484 D N 0.456 120.824 120.400 -0.054 0.000 2.772 484 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 484 D C -0.910 175.364 176.300 -0.045 0.000 1.143 484 D CA 1.104 55.082 54.000 -0.037 0.000 0.700 484 D CB -1.091 39.690 40.800 -0.031 0.000 1.076 484 D HN 0.305 nan 8.370 nan 0.000 0.430 485 L N -0.019 121.161 121.223 -0.071 0.000 2.287 485 L HA 0.436 4.776 4.340 -0.000 0.000 0.287 485 L C -1.875 175.035 176.870 0.066 0.000 1.022 485 L CA -1.821 52.973 54.840 -0.077 0.000 0.814 485 L CB 1.395 43.225 42.059 -0.380 0.000 1.217 485 L HN -0.299 nan 8.230 nan 0.000 0.420 486 P HA 0.093 nan 4.420 nan 0.000 0.270 486 P C -0.665 176.764 177.300 0.215 0.000 1.223 486 P CA -0.091 63.088 63.100 0.133 0.000 0.785 486 P CB 0.694 32.453 31.700 0.098 0.000 0.923 487 S N -0.040 115.735 115.700 0.125 0.000 2.617 487 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 487 S C 0.277 174.880 174.600 0.005 0.000 1.189 487 S CA -0.191 58.063 58.200 0.090 0.000 1.036 487 S CB 1.282 64.519 63.200 0.062 0.000 1.014 487 S HN 0.681 nan 8.310 nan 0.000 0.522 488 G N 0.308 109.064 108.800 -0.074 0.000 2.687 488 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 488 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 488 G C -0.779 174.052 174.900 -0.115 0.000 1.420 488 G CA -0.433 44.611 45.100 -0.093 0.000 0.796 488 G HN 0.452 nan 8.290 nan 0.000 0.485 489 Q N -0.127 119.614 119.800 -0.098 0.000 2.282 489 Q HA 0.152 4.492 4.340 -0.000 0.000 0.206 489 Q C 2.197 178.124 176.000 -0.121 0.000 0.878 489 Q CA 0.604 56.348 55.803 -0.098 0.000 0.944 489 Q CB 0.792 29.486 28.738 -0.074 0.000 1.100 489 Q HN 0.720 nan 8.270 nan 0.000 0.509 490 G N 2.090 110.808 108.800 -0.136 0.000 2.529 490 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 490 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 490 G C 1.391 176.193 174.900 -0.164 0.000 1.177 490 G CA 0.674 45.691 45.100 -0.139 0.000 0.773 490 G HN 0.275 nan 8.290 nan 0.000 0.573 491 I N 1.567 122.033 120.570 -0.174 0.000 2.226 491 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 491 I C 2.407 178.439 176.117 -0.141 0.000 1.100 491 I CA 0.954 62.168 61.300 -0.144 0.000 1.374 491 I CB -1.196 36.730 38.000 -0.123 0.000 1.057 491 I HN 0.140 nan 8.210 nan 0.000 0.413 492 N N 1.465 120.087 118.700 -0.129 0.000 2.149 492 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 492 N C 1.524 176.946 175.510 -0.146 0.000 1.019 492 N CA 1.118 54.097 53.050 -0.118 0.000 0.857 492 N CB -0.464 37.966 38.487 -0.096 0.000 0.997 492 N HN 0.405 nan 8.380 nan 0.000 0.426 493 N N 1.192 119.795 118.700 -0.161 0.000 2.084 493 N HA -0.052 4.688 4.740 -0.000 0.000 0.190 493 N C 1.959 177.306 175.510 -0.272 0.000 1.030 493 N CA 0.538 53.471 53.050 -0.195 0.000 0.849 493 N CB -0.536 37.846 38.487 -0.175 0.000 1.012 493 N HN 0.264 nan 8.380 nan 0.000 0.423 494 L N 0.516 121.554 121.223 -0.307 0.000 2.083 494 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 494 L C 1.760 178.436 176.870 -0.324 0.000 1.083 494 L CA 1.197 55.794 54.840 -0.405 0.000 0.752 494 L CB -0.393 41.425 42.059 -0.402 0.000 0.899 494 L HN 0.107 nan 8.230 nan 0.000 0.433 495 D N -0.262 119.994 120.400 -0.239 0.000 2.310 495 D HA -0.146 4.494 4.640 -0.000 0.000 0.212 495 D C 1.636 177.826 176.300 -0.182 0.000 0.965 495 D CA 0.633 54.514 54.000 -0.200 0.000 0.879 495 D CB 0.148 40.858 40.800 -0.150 0.000 0.921 495 D HN 0.149 nan 8.370 nan 0.000 0.510 496 N N -0.370 118.210 118.700 -0.199 0.000 2.336 496 N HA 0.086 4.826 4.740 -0.000 0.000 0.189 496 N C 0.161 175.540 175.510 -0.218 0.000 1.113 496 N CA 0.204 53.148 53.050 -0.177 0.000 0.858 496 N CB 0.563 38.952 38.487 -0.164 0.000 0.970 496 N HN 0.304 nan 8.380 nan 0.000 0.471 497 L N 0.456 121.506 121.223 -0.289 0.000 3.154 497 L HA 0.329 4.669 4.340 -0.000 0.000 0.266 497 L C 1.382 178.147 176.870 -0.176 0.000 1.300 497 L CA -0.138 54.489 54.840 -0.356 0.000 1.028 497 L CB 0.428 42.088 42.059 -0.665 0.000 1.412 497 L HN -0.148 nan 8.230 nan 0.000 0.564 498 R N 0.697 121.122 120.500 -0.124 0.000 2.105 498 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 498 R C 1.627 177.916 176.300 -0.019 0.000 1.135 498 R CA 1.873 57.914 56.100 -0.098 0.000 0.967 498 R CB -0.202 30.042 30.300 -0.092 0.000 0.861 498 R HN 0.503 nan 8.270 nan 0.000 0.442 499 D N -0.407 120.021 120.400 0.047 0.000 2.310 499 D HA -0.174 4.466 4.640 -0.000 0.000 0.212 499 D C 1.284 177.615 176.300 0.051 0.000 0.965 499 D CA 1.100 55.128 54.000 0.047 0.000 0.879 499 D CB -0.343 40.475 40.800 0.029 0.000 0.921 499 D HN 0.259 nan 8.370 nan 0.000 0.510 500 Y N 0.832 121.042 120.300 -0.151 0.000 2.206 500 Y HA 0.143 4.693 4.550 -0.000 0.000 0.292 500 Y C 2.519 178.422 175.900 0.004 0.000 1.123 500 Y CA 0.547 58.519 58.100 -0.214 0.000 1.142 500 Y CB -0.479 37.592 38.460 -0.649 0.000 1.006 500 Y HN -0.085 nan 8.280 nan 0.000 0.518 501 L N -0.598 120.660 121.223 0.058 0.000 2.093 501 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 501 L C 1.824 178.792 176.870 0.162 0.000 1.085 501 L CA 1.367 56.196 54.840 -0.019 0.000 0.755 501 L CB -0.530 41.343 42.059 -0.310 0.000 0.904 501 L HN 0.124 nan 8.230 nan 0.000 0.435 502 D N 0.449 120.901 120.400 0.088 0.000 2.092 502 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 502 D C 1.630 178.002 176.300 0.121 0.000 0.994 502 D CA 1.890 55.941 54.000 0.085 0.000 0.828 502 D CB -0.211 40.610 40.800 0.036 0.000 0.963 502 D HN 0.374 nan 8.370 nan 0.000 0.450 503 G N -0.962 107.913 108.800 0.126 0.000 2.160 503 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 503 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 503 G C 1.190 176.121 174.900 0.052 0.000 1.008 503 G CA 0.853 46.018 45.100 0.108 0.000 0.724 503 G HN 0.347 nan 8.290 nan 0.000 0.514 504 S N -1.590 114.131 115.700 0.035 0.000 2.384 504 S HA 0.344 4.814 4.470 -0.000 0.000 0.217 504 S C 1.458 176.059 174.600 0.002 0.000 1.041 504 S CA 1.031 59.241 58.200 0.017 0.000 0.948 504 S CB 0.109 63.318 63.200 0.014 0.000 0.872 504 S HN 1.442 nan 8.310 nan 0.000 0.512 505 V N 0.791 120.700 119.914 -0.008 0.000 2.837 505 V HA 0.565 4.685 4.120 -0.000 0.000 0.310 505 V C -0.570 175.501 176.094 -0.038 0.000 1.059 505 V CA -1.157 61.130 62.300 -0.021 0.000 1.004 505 V CB 1.033 32.842 31.823 -0.024 0.000 1.045 505 V HN 0.098 nan 8.190 nan 0.000 0.465 506 K N 1.866 122.241 120.400 -0.041 0.000 2.270 506 K HA 0.596 4.916 4.320 -0.000 0.000 0.276 506 K C -0.648 175.894 176.600 -0.097 0.000 1.023 506 K CA -0.384 55.870 56.287 -0.055 0.000 0.955 506 K CB 1.665 34.142 32.500 -0.037 0.000 0.975 506 K HN 0.594 nan 8.250 nan 0.000 0.471 507 V N 2.198 122.018 119.914 -0.158 0.000 3.093 507 V HA 0.169 4.289 4.120 -0.000 0.000 0.320 507 V C -0.444 175.566 176.094 -0.139 0.000 1.093 507 V CA -1.000 61.138 62.300 -0.270 0.000 1.016 507 V CB 1.830 33.204 31.823 -0.748 0.000 1.096 507 V HN 0.782 nan 8.190 nan 0.000 0.452 508 N N 2.179 120.826 118.700 -0.088 0.000 2.558 508 N HA 0.520 5.260 4.740 -0.000 0.000 0.242 508 N C -1.399 174.143 175.510 0.053 0.000 0.979 508 N CA -0.561 52.488 53.050 -0.002 0.000 0.931 508 N CB 0.946 39.444 38.487 0.018 0.000 1.122 508 N HN 0.266 nan 8.380 nan 0.000 0.508 509 L N 2.119 123.378 121.223 0.061 0.000 2.334 509 L HA 0.353 4.693 4.340 -0.000 0.000 0.277 509 L C 0.472 177.386 176.870 0.074 0.000 1.075 509 L CA -0.720 54.181 54.840 0.101 0.000 0.804 509 L CB 0.765 42.891 42.059 0.111 0.000 1.174 509 L HN 0.590 nan 8.230 nan 0.000 0.438 510 E N 2.285 122.534 120.200 0.081 0.000 2.218 510 E HA 0.490 4.839 4.350 -0.000 0.000 0.263 510 E C -0.885 175.732 176.600 0.028 0.000 0.879 510 E CA -0.863 55.587 56.400 0.084 0.000 0.762 510 E CB 1.685 31.463 29.700 0.130 0.000 1.166 510 E HN 0.446 nan 8.360 nan 0.000 0.415 511 K N 3.457 123.860 120.400 0.005 0.000 2.895 511 K HA 0.187 4.506 4.320 -0.000 0.000 0.191 511 K C -0.783 175.854 176.600 0.062 0.000 1.117 511 K CA -0.444 55.760 56.287 -0.139 0.000 0.988 511 K CB 0.316 32.699 32.500 -0.194 0.000 1.181 511 K HN 0.414 nan 8.250 nan 0.000 0.598 512 K N 1.589 122.182 120.400 0.322 0.000 3.181 512 K HA -0.051 4.269 4.320 -0.000 0.000 0.093 512 K C -0.682 176.151 176.600 0.389 0.000 0.990 512 K CA 0.021 56.501 56.287 0.321 0.000 0.961 512 K CB -0.924 31.678 32.500 0.169 0.000 0.962 512 K HN 0.743 nan 8.250 nan 0.000 0.338 513 H N -0.276 119.020 119.070 0.377 0.000 2.958 513 H HA -0.221 4.335 4.556 -0.000 0.000 0.274 513 H C -0.977 174.422 175.328 0.118 0.000 1.184 513 H CA 1.732 57.864 56.048 0.138 0.000 1.143 513 H CB -1.283 28.487 29.762 0.014 0.000 1.297 513 H HN 0.296 nan 8.280 nan 0.000 0.356 514 L N -2.491 118.890 121.223 0.264 0.000 2.724 514 L HA 0.437 4.777 4.340 -0.000 0.000 0.258 514 L C -0.438 176.513 176.870 0.135 0.000 0.967 514 L CA -1.063 53.884 54.840 0.179 0.000 0.891 514 L CB 0.528 42.677 42.059 0.149 0.000 1.456 514 L HN -0.103 nan 8.230 nan 0.000 0.416 515 N N 1.275 120.035 118.700 0.100 0.000 2.434 515 N HA 0.177 4.917 4.740 -0.000 0.000 0.268 515 N C 0.397 175.946 175.510 0.065 0.000 1.256 515 N CA 0.160 53.257 53.050 0.077 0.000 0.914 515 N CB 0.826 39.349 38.487 0.060 0.000 1.088 515 N HN 0.784 nan 8.380 nan 0.000 0.478 516 K N 2.022 122.456 120.400 0.057 0.000 2.370 516 K HA 0.204 4.524 4.320 -0.000 0.000 0.194 516 K C -0.018 176.597 176.600 0.026 0.000 1.070 516 K CA 0.151 56.463 56.287 0.042 0.000 0.998 516 K CB 0.581 33.104 32.500 0.038 0.000 0.911 516 K HN 0.476 nan 8.250 nan 0.000 0.533 517 R N 0.150 120.665 120.500 0.025 0.000 2.563 517 R HA 0.155 4.495 4.340 -0.000 0.000 0.262 517 R C -1.812 174.494 176.300 0.010 0.000 1.128 517 R CA -0.306 55.802 56.100 0.013 0.000 0.969 517 R CB 1.943 32.246 30.300 0.004 0.000 1.251 517 R HN -0.123 nan 8.270 nan 0.000 0.442 518 T N 4.790 119.345 114.554 0.001 0.000 2.753 518 T HA 0.335 4.685 4.350 -0.000 0.000 0.297 518 T C -0.925 173.765 174.700 -0.016 0.000 0.981 518 T CA -0.335 61.760 62.100 -0.010 0.000 0.956 518 T CB 1.010 69.873 68.868 -0.009 0.000 0.936 518 T HN 0.591 nan 8.240 nan 0.000 0.463 519 Q N 2.355 122.142 119.800 -0.023 0.000 2.590 519 Q HA 0.559 4.899 4.340 -0.000 0.000 0.295 519 Q C -1.314 174.672 176.000 -0.024 0.000 0.973 519 Q CA -1.210 54.578 55.803 -0.024 0.000 0.768 519 Q CB 0.959 29.682 28.738 -0.026 0.000 1.479 519 Q HN 0.265 nan 8.270 nan 0.000 0.419 520 I N 2.128 122.685 120.570 -0.022 0.000 2.533 520 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 520 I C 0.129 176.266 176.117 0.034 0.000 1.109 520 I CA 0.030 61.329 61.300 -0.001 0.000 1.412 520 I CB -0.339 37.652 38.000 -0.015 0.000 1.396 520 I HN 0.652 nan 8.210 nan 0.000 0.543 521 F N 9.284 129.187 119.950 -0.078 0.000 2.553 521 F HA 0.215 4.741 4.527 -0.000 0.000 0.356 521 F C -1.792 174.029 175.800 0.035 0.000 1.142 521 F CA -1.454 56.538 58.000 -0.013 0.000 1.322 521 F CB 0.227 39.251 39.000 0.041 0.000 1.126 521 F HN 0.341 nan 8.300 nan 0.000 0.599 522 P HA 0.147 nan 4.420 nan 0.000 0.272 522 P C -2.516 174.678 177.300 -0.177 0.000 1.223 522 P CA -0.796 62.067 63.100 -0.395 0.000 0.784 522 P CB 0.205 31.594 31.700 -0.518 0.000 0.923 523 P HA 0.368 nan 4.420 nan 0.000 0.289 523 P C -0.042 176.814 177.300 -0.740 0.000 1.299 523 P CA 0.161 62.995 63.100 -0.443 0.000 0.766 523 P CB 0.842 32.291 31.700 -0.418 0.000 1.226 524 G N -1.280 106.805 108.800 -1.191 0.000 2.452 524 G HA2 0.391 4.350 3.960 -0.000 0.000 0.224 524 G HA3 0.391 4.350 3.960 -0.000 0.000 0.224 524 G C -1.773 172.931 174.900 -0.327 0.000 1.208 524 G CA -0.590 44.119 45.100 -0.652 0.000 0.946 524 G HN 0.454 nan 8.290 nan 0.000 0.481 525 I N -0.219 120.360 120.570 0.015 0.000 2.828 525 I HA 0.658 4.828 4.170 -0.000 0.000 0.302 525 I C -0.745 175.507 176.117 0.226 0.000 1.101 525 I CA -1.242 60.078 61.300 0.034 0.000 1.031 525 I CB 2.506 40.271 38.000 -0.392 0.000 1.231 525 I HN 0.300 nan 8.210 nan 0.000 0.427 526 V N 2.308 122.271 119.914 0.082 0.000 2.577 526 V HA 0.509 4.629 4.120 -0.000 0.000 0.303 526 V C -0.231 175.832 176.094 -0.052 0.000 1.042 526 V CA -0.497 61.866 62.300 0.105 0.000 0.872 526 V CB 2.132 33.985 31.823 0.051 0.000 0.998 526 V HN 0.885 nan 8.190 nan 0.000 0.423 527 T N 3.354 117.912 114.554 0.007 0.000 2.856 527 T HA 0.934 5.284 4.350 -0.000 0.000 0.283 527 T C -0.646 174.088 174.700 0.057 0.000 1.008 527 T CA -0.674 61.442 62.100 0.026 0.000 0.997 527 T CB 1.867 70.736 68.868 0.002 0.000 0.992 527 T HN 0.878 nan 8.240 nan 0.000 0.454 528 M N 0.981 120.629 119.600 0.080 0.000 2.833 528 M HA 0.510 4.990 4.480 -0.000 0.000 0.270 528 M C -1.599 174.794 176.300 0.155 0.000 1.209 528 M CA -0.947 54.434 55.300 0.135 0.000 0.826 528 M CB 1.490 34.185 32.600 0.158 0.000 1.657 528 M HN 0.398 nan 8.290 nan 0.000 0.492 529 N N 0.757 119.604 118.700 0.245 0.000 3.052 529 N HA 0.214 4.954 4.740 -0.000 0.000 0.302 529 N C -1.069 174.415 175.510 -0.042 0.000 1.332 529 N CA -0.195 52.911 53.050 0.093 0.000 1.129 529 N CB -0.004 38.508 38.487 0.041 0.000 1.436 529 N HN 0.740 nan 8.380 nan 0.000 0.536 530 E N -0.498 119.731 120.200 0.049 0.000 2.320 530 E HA -0.268 4.082 4.350 -0.000 0.000 0.234 530 E C -0.904 175.662 176.600 -0.056 0.000 1.183 530 E CA 0.499 56.898 56.400 -0.001 0.000 0.713 530 E CB -1.290 28.380 29.700 -0.051 0.000 1.226 530 E HN 0.514 nan 8.360 nan 0.000 0.382 531 Y N -0.156 120.163 120.300 0.031 0.000 2.408 531 Y HA 0.325 4.875 4.550 -0.000 0.000 0.324 531 Y C 1.388 177.307 175.900 0.032 0.000 1.302 531 Y CA -0.577 57.539 58.100 0.026 0.000 1.384 531 Y CB 1.034 39.509 38.460 0.024 0.000 1.367 531 Y HN -0.127 nan 8.280 nan 0.000 0.525 532 S N 0.448 116.272 115.700 0.207 0.000 2.576 532 S HA 0.394 4.864 4.470 -0.000 0.000 0.276 532 S C -0.847 173.827 174.600 0.123 0.000 1.339 532 S CA -0.644 57.630 58.200 0.123 0.000 1.039 532 S CB 0.532 63.784 63.200 0.086 0.000 0.902 532 S HN 0.322 nan 8.310 nan 0.000 0.516 533 V N 4.948 124.924 119.914 0.102 0.000 2.444 533 V HA 0.327 4.447 4.120 -0.000 0.000 0.294 533 V C -2.252 173.872 176.094 0.050 0.000 1.022 533 V CA -1.887 60.473 62.300 0.100 0.000 0.850 533 V CB 1.244 33.170 31.823 0.172 0.000 0.992 533 V HN 0.681 nan 8.190 nan 0.000 0.426 534 P HA 0.097 nan 4.420 nan 0.000 0.266 534 P C 0.850 178.130 177.300 -0.033 0.000 1.195 534 P CA -0.277 62.813 63.100 -0.018 0.000 0.768 534 P CB 0.548 32.221 31.700 -0.044 0.000 0.838 535 K N 0.916 121.299 120.400 -0.028 0.000 2.103 535 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 535 K C 1.373 177.932 176.600 -0.069 0.000 1.048 535 K CA 2.069 58.335 56.287 -0.034 0.000 0.930 535 K CB -1.217 31.269 32.500 -0.023 0.000 0.716 535 K HN 0.492 nan 8.250 nan 0.000 0.444 536 T N 0.037 114.543 114.554 -0.080 0.000 2.788 536 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 536 T C 1.842 176.439 174.700 -0.172 0.000 1.044 536 T CA 1.119 63.156 62.100 -0.105 0.000 1.139 536 T CB -0.294 68.518 68.868 -0.094 0.000 0.867 536 T HN 0.203 nan 8.240 nan 0.000 0.454 537 L N 0.832 121.932 121.223 -0.206 0.000 2.095 537 L HA 0.221 4.561 4.340 -0.000 0.000 0.204 537 L C 2.697 179.223 176.870 -0.573 0.000 1.080 537 L CA 1.587 56.207 54.840 -0.367 0.000 0.759 537 L CB -1.031 40.860 42.059 -0.279 0.000 0.914 537 L HN 0.182 nan 8.230 nan 0.000 0.439 538 Q N 0.054 119.677 119.800 -0.295 0.000 2.181 538 Q HA -0.134 4.206 4.340 -0.000 0.000 0.205 538 Q C 2.066 177.968 176.000 -0.164 0.000 0.980 538 Q CA 1.834 57.543 55.803 -0.157 0.000 0.862 538 Q CB -0.418 28.333 28.738 0.021 0.000 0.905 538 Q HN 0.588 nan 8.270 nan 0.000 0.429 539 A N -0.510 122.215 122.820 -0.160 0.000 2.178 539 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 539 A C 1.854 179.373 177.584 -0.109 0.000 1.157 539 A CA 1.270 53.250 52.037 -0.095 0.000 0.689 539 A CB -0.252 18.701 19.000 -0.079 0.000 0.787 539 A HN 0.171 nan 8.150 nan 0.000 0.465 540 R N -1.365 118.975 120.500 -0.268 0.000 2.280 540 R HA 0.274 4.614 4.340 -0.000 0.000 0.195 540 R C -0.578 175.722 176.300 -0.001 0.000 0.935 540 R CA 0.042 56.013 56.100 -0.216 0.000 1.033 540 R CB -0.301 29.752 30.300 -0.412 0.000 0.964 540 R HN 0.522 nan 8.270 nan 0.000 0.489 541 F N -0.435 119.582 119.950 0.113 0.000 2.350 541 F HA 0.150 4.676 4.527 -0.000 0.000 0.365 541 F C 1.363 177.227 175.800 0.107 0.000 1.122 541 F CA -0.756 57.341 58.000 0.162 0.000 1.139 541 F CB 1.515 40.594 39.000 0.133 0.000 1.220 541 F HN -0.242 nan 8.300 nan 0.000 0.499 542 V N 3.857 123.960 119.914 0.317 0.000 3.041 542 V HA -0.009 4.111 4.120 -0.000 0.000 0.260 542 V C 0.470 176.552 176.094 -0.021 0.000 1.105 542 V CA 1.486 63.874 62.300 0.147 0.000 1.125 542 V CB -0.393 31.538 31.823 0.180 0.000 0.730 542 V HN 0.702 nan 8.190 nan 0.000 0.479 543 K N 0.336 120.662 120.400 -0.124 0.000 2.542 543 K HA 0.406 4.726 4.320 -0.000 0.000 0.259 543 K C -1.189 175.282 176.600 -0.216 0.000 0.932 543 K CA -0.623 55.433 56.287 -0.386 0.000 0.820 543 K CB 1.918 33.745 32.500 -1.121 0.000 1.345 543 K HN 0.237 nan 8.250 nan 0.000 0.432 544 Q N 4.819 124.531 119.800 -0.147 0.000 2.337 544 Q HA 0.482 4.821 4.340 -0.000 0.000 0.270 544 Q C -1.489 174.477 176.000 -0.057 0.000 1.043 544 Q CA -0.723 55.063 55.803 -0.028 0.000 0.794 544 Q CB 1.449 30.201 28.738 0.024 0.000 1.281 544 Q HN 0.602 nan 8.270 nan 0.000 0.446 545 I N 3.443 124.033 120.570 0.034 0.000 2.389 545 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 545 I C -0.915 175.186 176.117 -0.027 0.000 0.999 545 I CA -0.853 60.383 61.300 -0.106 0.000 1.129 545 I CB 1.823 39.665 38.000 -0.264 0.000 1.288 545 I HN 0.553 nan 8.210 nan 0.000 0.444 546 D N 7.083 127.417 120.400 -0.111 0.000 2.359 546 D HA 0.297 4.937 4.640 -0.000 0.000 0.230 546 D C -0.540 175.698 176.300 -0.103 0.000 1.118 546 D CA -0.099 53.897 54.000 -0.007 0.000 0.844 546 D CB 1.222 42.008 40.800 -0.023 0.000 1.059 546 D HN 0.079 nan 8.370 nan 0.000 0.493 547 F N 1.585 121.478 119.950 -0.095 0.000 2.384 547 F HA 0.339 4.866 4.527 -0.000 0.000 0.338 547 F C 1.275 177.020 175.800 -0.091 0.000 1.103 547 F CA -0.322 57.611 58.000 -0.112 0.000 1.157 547 F CB 0.971 39.909 39.000 -0.105 0.000 1.167 547 F HN -0.085 nan 8.300 nan 0.000 0.529 548 R N 2.553 123.070 120.500 0.027 0.000 2.532 548 R HA 0.403 4.743 4.340 -0.000 0.000 0.297 548 R C -2.746 173.519 176.300 -0.060 0.000 0.984 548 R CA -1.953 54.132 56.100 -0.026 0.000 0.884 548 R CB 1.810 32.067 30.300 -0.072 0.000 1.182 548 R HN 0.299 nan 8.270 nan 0.000 0.442 549 P HA 0.060 nan 4.420 nan 0.000 0.268 549 P C -1.101 176.088 177.300 -0.186 0.000 1.205 549 P CA -0.043 62.998 63.100 -0.098 0.000 0.771 549 P CB 0.646 32.302 31.700 -0.075 0.000 0.858 550 K N 2.197 122.421 120.400 -0.293 0.000 2.507 550 K HA 0.186 4.506 4.320 -0.000 0.000 0.252 550 K C 0.226 176.508 176.600 -0.529 0.000 0.943 550 K CA -0.628 55.353 56.287 -0.511 0.000 0.808 550 K CB 1.882 33.843 32.500 -0.898 0.000 1.142 550 K HN 0.315 nan 8.250 nan 0.000 0.426 551 D N 1.654 121.816 120.400 -0.397 0.000 2.133 551 D HA -0.229 4.411 4.640 -0.000 0.000 0.192 551 D C 1.751 177.816 176.300 -0.391 0.000 1.001 551 D CA 2.102 55.881 54.000 -0.368 0.000 0.844 551 D CB -0.052 40.685 40.800 -0.104 0.000 0.944 551 D HN 0.663 nan 8.370 nan 0.000 0.447 552 Y N 0.562 120.816 120.300 -0.076 0.000 2.274 552 Y HA -0.037 4.513 4.550 -0.000 0.000 0.290 552 Y C 2.367 178.266 175.900 -0.001 0.000 1.145 552 Y CA 0.484 58.586 58.100 0.004 0.000 1.203 552 Y CB -1.059 37.388 38.460 -0.022 0.000 0.984 552 Y HN -0.085 nan 8.280 nan 0.000 0.533 553 L N 0.621 121.711 121.223 -0.223 0.000 2.046 553 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 553 L C 2.808 179.812 176.870 0.224 0.000 1.077 553 L CA 2.018 56.888 54.840 0.051 0.000 0.747 553 L CB -0.553 41.366 42.059 -0.232 0.000 0.896 553 L HN 0.259 nan 8.230 nan 0.000 0.432 554 K N -0.688 119.687 120.400 -0.043 0.000 2.025 554 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 554 K C 2.252 178.830 176.600 -0.036 0.000 1.049 554 K CA 1.323 57.561 56.287 -0.082 0.000 0.933 554 K CB -0.061 32.288 32.500 -0.252 0.000 0.714 554 K HN 0.320 nan 8.250 nan 0.000 0.438 555 H N 0.176 119.279 119.070 0.055 0.000 2.387 555 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 555 H C 2.453 177.815 175.328 0.056 0.000 1.090 555 H CA 1.268 57.343 56.048 0.046 0.000 1.332 555 H CB -0.855 28.935 29.762 0.048 0.000 1.386 555 H HN 0.401 nan 8.280 nan 0.000 0.516 556 C N 0.695 120.126 119.300 0.218 0.000 2.429 556 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 556 C C 2.685 177.716 174.990 0.069 0.000 1.262 556 C CA 0.326 59.448 59.018 0.174 0.000 1.733 556 C CB -1.279 26.630 27.740 0.281 0.000 2.010 556 C HN 0.301 nan 8.230 nan 0.000 0.483 557 L N 1.244 122.488 121.223 0.036 0.000 2.083 557 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 557 L C 2.506 179.308 176.870 -0.114 0.000 1.083 557 L CA 1.849 56.597 54.840 -0.153 0.000 0.752 557 L CB -1.323 40.617 42.059 -0.199 0.000 0.899 557 L HN 0.483 nan 8.230 nan 0.000 0.433 558 E N -0.687 119.500 120.200 -0.022 0.000 2.160 558 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 558 E C 1.728 178.324 176.600 -0.007 0.000 0.991 558 E CA 0.970 57.369 56.400 -0.002 0.000 0.810 558 E CB -0.053 29.683 29.700 0.059 0.000 0.742 558 E HN 0.482 nan 8.360 nan 0.000 0.466 559 R N -0.255 120.248 120.500 0.004 0.000 2.393 559 R HA 0.190 4.530 4.340 -0.000 0.000 0.244 559 R C 0.286 176.590 176.300 0.007 0.000 0.920 559 R CA 0.067 56.178 56.100 0.019 0.000 1.076 559 R CB 0.847 31.172 30.300 0.042 0.000 1.119 559 R HN -0.123 nan 8.270 nan 0.000 0.524 560 S N 0.697 116.335 115.700 -0.103 0.000 2.617 560 S HA 0.133 4.603 4.470 -0.000 0.000 0.237 560 S C 0.487 174.772 174.600 -0.525 0.000 1.142 560 S CA -0.451 57.566 58.200 -0.305 0.000 1.167 560 S CB 0.752 63.706 63.200 -0.411 0.000 1.068 560 S HN 0.230 nan 8.310 nan 0.000 0.470 561 E N 1.159 121.225 120.200 -0.223 0.000 2.187 561 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 561 E C 1.457 177.927 176.600 -0.217 0.000 1.004 561 E CA 1.750 58.039 56.400 -0.185 0.000 0.813 561 E CB -0.461 29.210 29.700 -0.048 0.000 0.736 561 E HN 0.856 nan 8.360 nan 0.000 0.468 562 F N 0.346 120.239 119.950 -0.095 0.000 2.250 562 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 562 F C 1.837 177.527 175.800 -0.183 0.000 1.077 562 F CA 0.817 58.752 58.000 -0.109 0.000 1.348 562 F CB -0.614 38.340 39.000 -0.076 0.000 1.040 562 F HN -0.105 nan 8.300 nan 0.000 0.509 563 L N -0.061 120.658 121.223 -0.840 0.000 2.191 563 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 563 L C 2.324 178.924 176.870 -0.451 0.000 1.103 563 L CA 0.958 55.400 54.840 -0.662 0.000 0.769 563 L CB -0.439 41.111 42.059 -0.848 0.000 0.908 563 L HN 0.344 nan 8.230 nan 0.000 0.438 564 L N -1.443 119.558 121.223 -0.370 0.000 2.269 564 L HA -0.008 4.332 4.340 -0.000 0.000 0.200 564 L C 2.378 179.151 176.870 -0.161 0.000 1.069 564 L CA 0.386 55.066 54.840 -0.266 0.000 0.804 564 L CB -0.236 41.676 42.059 -0.246 0.000 0.987 564 L HN 0.136 nan 8.230 nan 0.000 0.468 565 E N 0.933 121.062 120.200 -0.119 0.000 2.118 565 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 565 E C 1.387 177.970 176.600 -0.029 0.000 0.992 565 E CA 1.145 57.514 56.400 -0.051 0.000 0.804 565 E CB 0.009 29.702 29.700 -0.012 0.000 0.741 565 E HN 0.388 nan 8.360 nan 0.000 0.458 566 K N 0.296 120.673 120.400 -0.037 0.000 2.387 566 K HA 0.167 4.487 4.320 -0.000 0.000 0.198 566 K C -0.341 176.219 176.600 -0.067 0.000 1.022 566 K CA -0.152 56.128 56.287 -0.011 0.000 1.128 566 K CB 0.385 32.899 32.500 0.024 0.000 0.853 566 K HN -0.006 nan 8.250 nan 0.000 0.523 567 R N 0.597 121.030 120.500 -0.113 0.000 3.251 567 R HA -0.200 4.140 4.340 -0.000 0.000 0.249 567 R C 0.545 176.726 176.300 -0.197 0.000 0.949 567 R CA 0.135 56.164 56.100 -0.118 0.000 0.645 567 R CB -2.223 28.060 30.300 -0.028 0.000 1.065 567 R HN 0.322 nan 8.270 nan 0.000 0.452 568 I N 0.010 120.349 120.570 -0.385 0.000 2.429 568 I HA -0.155 4.015 4.170 -0.000 0.000 0.247 568 I C 2.348 178.272 176.117 -0.322 0.000 1.099 568 I CA 1.106 62.018 61.300 -0.647 0.000 1.422 568 I CB -0.104 37.358 38.000 -0.896 0.000 1.112 568 I HN 0.368 nan 8.210 nan 0.000 0.430 569 I N 0.000 120.401 120.570 -0.283 0.000 2.916 569 I HA -0.212 3.957 4.170 -0.000 0.000 0.267 569 I C 1.814 177.915 176.117 -0.027 0.000 1.263 569 I CA 1.115 62.328 61.300 -0.145 0.000 1.471 569 I CB -0.557 37.235 38.000 -0.345 0.000 1.089 569 I HN 0.380 nan 8.210 nan 0.000 0.468 570 Q N 1.419 121.190 119.800 -0.049 0.000 2.198 570 Q HA 0.272 4.612 4.340 -0.000 0.000 0.209 570 Q C 0.569 176.603 176.000 0.057 0.000 0.848 570 Q CA -0.217 55.594 55.803 0.015 0.000 0.974 570 Q CB 0.229 28.960 28.738 -0.012 0.000 1.115 570 Q HN 0.391 nan 8.270 nan 0.000 0.494 571 S N -0.136 115.618 115.700 0.090 0.000 2.525 571 S HA 0.450 4.920 4.470 -0.000 0.000 0.278 571 S C 1.114 175.823 174.600 0.182 0.000 1.234 571 S CA -0.034 58.275 58.200 0.181 0.000 1.058 571 S CB 1.298 64.726 63.200 0.380 0.000 0.983 571 S HN 0.409 nan 8.310 nan 0.000 0.495 572 G N 4.256 113.139 108.800 0.138 0.000 2.443 572 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 572 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 572 G C 1.226 176.176 174.900 0.082 0.000 1.131 572 G CA 0.335 45.494 45.100 0.098 0.000 0.775 572 G HN 0.717 nan 8.290 nan 0.000 0.547 573 I N 1.714 122.358 120.570 0.124 0.000 2.394 573 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 573 I C 3.120 179.354 176.117 0.194 0.000 1.136 573 I CA 1.070 62.407 61.300 0.062 0.000 1.425 573 I CB -1.113 36.842 38.000 -0.075 0.000 1.079 573 I HN 0.256 nan 8.210 nan 0.000 0.425 574 A N 0.767 123.816 122.820 0.382 0.000 1.930 574 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 574 A C 2.376 180.085 177.584 0.210 0.000 1.175 574 A CA 1.052 53.306 52.037 0.362 0.000 0.627 574 A CB -0.628 18.553 19.000 0.301 0.000 0.815 574 A HN 0.379 nan 8.150 nan 0.000 0.443 575 L N -1.105 120.215 121.223 0.162 0.000 2.109 575 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 575 L C 2.499 179.420 176.870 0.085 0.000 1.086 575 L CA 0.769 55.688 54.840 0.132 0.000 0.760 575 L CB -0.447 41.683 42.059 0.118 0.000 0.910 575 L HN 0.429 nan 8.230 nan 0.000 0.437 576 L N -0.015 121.204 121.223 -0.007 0.000 2.056 576 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 576 L C 2.278 179.127 176.870 -0.035 0.000 1.078 576 L CA 1.658 56.417 54.840 -0.134 0.000 0.749 576 L CB -0.449 41.423 42.059 -0.312 0.000 0.901 576 L HN 0.101 nan 8.230 nan 0.000 0.433 577 L N -1.353 119.870 121.223 0.001 0.000 2.046 577 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 577 L C 2.631 179.589 176.870 0.146 0.000 1.077 577 L CA 1.785 56.645 54.840 0.033 0.000 0.747 577 L CB -0.467 41.613 42.059 0.035 0.000 0.896 577 L HN 0.400 nan 8.230 nan 0.000 0.432 578 M N -0.185 119.529 119.600 0.190 0.000 2.080 578 M HA -0.259 4.221 4.480 -0.000 0.000 0.260 578 M C 2.270 178.822 176.300 0.420 0.000 1.068 578 M CA 1.897 57.392 55.300 0.326 0.000 1.109 578 M CB -0.066 32.709 32.600 0.292 0.000 1.342 578 M HN 0.192 nan 8.290 nan 0.000 0.405 579 L N 0.009 121.421 121.223 0.314 0.000 2.046 579 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 579 L C 2.348 179.508 176.870 0.484 0.000 1.077 579 L CA 1.264 56.330 54.840 0.377 0.000 0.747 579 L CB -0.675 41.579 42.059 0.325 0.000 0.896 579 L HN 0.401 nan 8.230 nan 0.000 0.432 580 I N -1.398 119.382 120.570 0.349 0.000 2.394 580 I HA -0.312 3.858 4.170 -0.000 0.000 0.251 580 I C 2.363 178.596 176.117 0.194 0.000 1.136 580 I CA 1.274 62.698 61.300 0.207 0.000 1.425 580 I CB -0.355 37.705 38.000 0.101 0.000 1.079 580 I HN 0.526 nan 8.210 nan 0.000 0.425 581 W N 0.744 122.056 121.300 0.021 0.000 2.453 581 W HA -0.160 4.500 4.660 -0.000 0.000 0.289 581 W C 1.815 178.212 176.519 -0.204 0.000 1.215 581 W CA 1.253 58.505 57.345 -0.156 0.000 1.297 581 W CB -0.113 29.149 29.460 -0.331 0.000 1.113 581 W HN 0.128 nan 8.180 nan 0.000 0.551 582 Y N 0.336 120.710 120.300 0.124 0.000 2.479 582 Y HA 0.201 4.750 4.550 -0.000 0.000 0.283 582 Y C 1.268 177.187 175.900 0.033 0.000 1.109 582 Y CA 0.619 58.746 58.100 0.044 0.000 1.239 582 Y CB -0.244 38.306 38.460 0.150 0.000 1.108 582 Y HN -0.520 nan 8.280 nan 0.000 0.548 583 R N 2.218 122.883 120.500 0.275 0.000 2.349 583 R HA 0.253 4.593 4.340 -0.000 0.000 0.299 583 R C -2.684 173.760 176.300 0.241 0.000 1.027 583 R CA -2.200 54.027 56.100 0.211 0.000 0.958 583 R CB -0.071 30.347 30.300 0.197 0.000 1.047 583 R HN 0.018 nan 8.270 nan 0.000 0.468 584 P HA -0.003 nan 4.420 nan 0.000 0.271 584 P C 0.945 178.394 177.300 0.249 0.000 1.216 584 P CA -0.165 63.006 63.100 0.118 0.000 0.776 584 P CB 0.804 32.535 31.700 0.051 0.000 0.881 585 V N 3.134 123.146 119.914 0.163 0.000 2.324 585 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 585 V C 2.670 178.930 176.094 0.277 0.000 1.060 585 V CA 2.820 65.224 62.300 0.172 0.000 1.042 585 V CB -1.801 30.044 31.823 0.037 0.000 0.650 585 V HN 0.698 nan 8.190 nan 0.000 0.450 586 A N -0.583 122.344 122.820 0.179 0.000 2.076 586 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 586 A C 2.149 179.842 177.584 0.183 0.000 1.160 586 A CA 1.862 53.990 52.037 0.152 0.000 0.653 586 A CB -0.445 18.612 19.000 0.095 0.000 0.801 586 A HN 0.694 nan 8.150 nan 0.000 0.455 587 E N -1.422 118.906 120.200 0.215 0.000 2.216 587 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 587 E C -0.436 176.249 176.600 0.142 0.000 0.988 587 E CA -0.070 56.413 56.400 0.138 0.000 0.834 587 E CB -0.021 29.649 29.700 -0.050 0.000 0.772 587 E HN 0.649 nan 8.360 nan 0.000 0.479 588 F N 1.165 121.206 119.950 0.153 0.000 2.406 588 F HA 0.267 4.794 4.527 -0.000 0.000 0.327 588 F C 0.880 176.746 175.800 0.110 0.000 1.153 588 F CA -0.946 57.152 58.000 0.163 0.000 1.218 588 F CB 0.329 39.432 39.000 0.172 0.000 1.215 588 F HN -0.167 nan 8.300 nan 0.000 0.570 589 A N 2.102 125.079 122.820 0.261 0.000 2.565 589 A HA 0.002 4.322 4.320 -0.000 0.000 0.237 589 A C 1.222 178.896 177.584 0.151 0.000 1.053 589 A CA -0.226 51.898 52.037 0.144 0.000 0.755 589 A CB -0.043 19.004 19.000 0.078 0.000 0.980 589 A HN 0.957 nan 8.150 nan 0.000 0.506 590 Q N 1.819 121.682 119.800 0.105 0.000 2.112 590 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 590 Q C 2.326 178.372 176.000 0.077 0.000 0.987 590 Q CA 2.168 58.024 55.803 0.087 0.000 0.858 590 Q CB -0.338 28.437 28.738 0.062 0.000 0.905 590 Q HN 1.082 nan 8.270 nan 0.000 0.420 591 S N 0.116 115.856 115.700 0.067 0.000 2.442 591 S HA -0.120 4.350 4.470 -0.000 0.000 0.236 591 S C 1.707 176.351 174.600 0.072 0.000 1.007 591 S CA 0.897 59.132 58.200 0.058 0.000 0.965 591 S CB -0.103 63.123 63.200 0.044 0.000 0.773 591 S HN 0.425 nan 8.310 nan 0.000 0.504 592 I N 0.166 120.797 120.570 0.102 0.000 4.057 592 I HA 0.112 4.282 4.170 -0.000 0.000 0.334 592 I C 2.184 178.356 176.117 0.092 0.000 1.308 592 I CA -0.010 61.361 61.300 0.118 0.000 1.125 592 I CB 0.004 38.113 38.000 0.182 0.000 1.034 592 I HN 0.245 nan 8.210 nan 0.000 0.401 593 Q N 0.097 119.951 119.800 0.089 0.000 2.112 593 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 593 Q C 2.260 178.262 176.000 0.004 0.000 0.987 593 Q CA 2.291 58.118 55.803 0.038 0.000 0.858 593 Q CB -0.225 28.554 28.738 0.068 0.000 0.905 593 Q HN 0.494 nan 8.270 nan 0.000 0.420 594 S N 0.305 116.020 115.700 0.026 0.000 2.370 594 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 594 S C 1.910 176.526 174.600 0.026 0.000 1.033 594 S CA 1.518 59.729 58.200 0.019 0.000 1.011 594 S CB -0.120 63.096 63.200 0.026 0.000 0.852 594 S HN 0.310 nan 8.310 nan 0.000 0.457 595 R N -0.083 120.450 120.500 0.055 0.000 2.092 595 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 595 R C 2.149 178.531 176.300 0.135 0.000 1.119 595 R CA 1.445 57.610 56.100 0.110 0.000 0.970 595 R CB -0.239 30.145 30.300 0.141 0.000 0.864 595 R HN 0.418 nan 8.270 nan 0.000 0.440 596 I N 0.452 121.027 120.570 0.009 0.000 2.226 596 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 596 I C 2.304 178.387 176.117 -0.058 0.000 1.100 596 I CA 1.083 62.310 61.300 -0.120 0.000 1.374 596 I CB -0.947 36.737 38.000 -0.527 0.000 1.057 596 I HN 0.046 nan 8.210 nan 0.000 0.413 597 V N 0.819 120.698 119.914 -0.059 0.000 2.332 597 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 597 V C 2.565 178.645 176.094 -0.023 0.000 1.055 597 V CA 2.026 64.299 62.300 -0.044 0.000 1.038 597 V CB -0.727 31.075 31.823 -0.035 0.000 0.651 597 V HN 0.434 nan 8.190 nan 0.000 0.450 598 E N -1.199 118.993 120.200 -0.014 0.000 2.085 598 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 598 E C 2.007 178.525 176.600 -0.137 0.000 0.994 598 E CA 1.943 58.297 56.400 -0.078 0.000 0.801 598 E CB -0.179 29.472 29.700 -0.083 0.000 0.743 598 E HN 0.727 nan 8.360 nan 0.000 0.453 599 W N 0.683 121.954 121.300 -0.049 0.000 2.476 599 W HA 0.026 4.685 4.660 -0.000 0.000 0.281 599 W C 2.232 178.736 176.519 -0.024 0.000 1.230 599 W CA 0.625 57.951 57.345 -0.033 0.000 1.287 599 W CB 0.173 29.608 29.460 -0.040 0.000 1.108 599 W HN -0.016 nan 8.180 nan 0.000 0.567 600 K N 0.340 120.818 120.400 0.130 0.000 2.097 600 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 600 K C 1.622 178.235 176.600 0.023 0.000 1.049 600 K CA 1.641 57.960 56.287 0.055 0.000 0.933 600 K CB -0.184 32.297 32.500 -0.032 0.000 0.717 600 K HN 0.248 nan 8.250 nan 0.000 0.442 601 E N 0.149 120.339 120.200 -0.017 0.000 2.107 601 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 601 E C 2.124 178.701 176.600 -0.039 0.000 0.982 601 E CA 0.395 56.771 56.400 -0.040 0.000 0.809 601 E CB 0.062 29.722 29.700 -0.067 0.000 0.756 601 E HN 0.097 nan 8.360 nan 0.000 0.459 602 R N 0.929 121.383 120.500 -0.077 0.000 2.081 602 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 602 R C 2.144 178.468 176.300 0.039 0.000 1.131 602 R CA 0.924 56.956 56.100 -0.113 0.000 0.960 602 R CB -0.357 29.736 30.300 -0.345 0.000 0.856 602 R HN 0.163 nan 8.270 nan 0.000 0.436 603 L N 1.295 122.620 121.223 0.169 0.000 2.072 603 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 603 L C 1.884 178.985 176.870 0.384 0.000 1.079 603 L CA 1.761 56.819 54.840 0.364 0.000 0.752 603 L CB -0.733 41.596 42.059 0.451 0.000 0.906 603 L HN 0.092 nan 8.230 nan 0.000 0.436 604 D N -0.562 119.966 120.400 0.214 0.000 2.178 604 D HA -0.230 4.410 4.640 -0.000 0.000 0.201 604 D C 2.045 178.401 176.300 0.095 0.000 0.980 604 D CA 0.928 55.014 54.000 0.143 0.000 0.842 604 D CB 0.031 40.837 40.800 0.009 0.000 0.948 604 D HN 0.321 nan 8.370 nan 0.000 0.472 605 K N 0.799 121.223 120.400 0.041 0.000 2.439 605 K HA -0.068 4.252 4.320 -0.000 0.000 0.197 605 K C 1.257 177.812 176.600 -0.074 0.000 1.041 605 K CA 0.793 57.067 56.287 -0.021 0.000 0.970 605 K CB 0.328 32.800 32.500 -0.047 0.000 0.773 605 K HN 0.086 nan 8.250 nan 0.000 0.479 606 E N -0.951 119.192 120.200 -0.095 0.000 2.485 606 E HA 0.099 4.449 4.350 -0.000 0.000 0.213 606 E C -0.761 175.386 176.600 -0.754 0.000 0.923 606 E CA -0.023 56.118 56.400 -0.431 0.000 1.054 606 E CB 0.645 30.014 29.700 -0.551 0.000 1.077 606 E HN 0.062 nan 8.360 nan 0.000 0.509 607 F N 1.300 121.311 119.950 0.102 0.000 2.612 607 F HA 0.198 4.725 4.527 -0.000 0.000 0.332 607 F C 0.295 176.234 175.800 0.233 0.000 1.167 607 F CA -1.126 56.947 58.000 0.122 0.000 0.970 607 F CB 1.546 40.557 39.000 0.019 0.000 1.234 607 F HN -0.211 nan 8.300 nan 0.000 0.453 608 S N 2.551 118.431 115.700 0.300 0.000 2.600 608 S HA 0.388 4.858 4.470 -0.000 0.000 0.265 608 S C 1.160 175.981 174.600 0.369 0.000 1.325 608 S CA -0.758 57.597 58.200 0.259 0.000 1.002 608 S CB 0.889 64.176 63.200 0.146 0.000 0.921 608 S HN 0.680 nan 8.310 nan 0.000 0.554 609 L N 1.497 122.902 121.223 0.303 0.000 2.042 609 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 609 L C 3.119 180.165 176.870 0.293 0.000 1.076 609 L CA 1.651 56.700 54.840 0.348 0.000 0.749 609 L CB -1.201 40.966 42.059 0.180 0.000 0.893 609 L HN 0.974 nan 8.230 nan 0.000 0.432 610 S N -0.379 115.431 115.700 0.183 0.000 2.359 610 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 610 S C 1.965 176.644 174.600 0.131 0.000 1.035 610 S CA 1.363 59.636 58.200 0.122 0.000 1.018 610 S CB -1.001 62.243 63.200 0.073 0.000 0.876 610 S HN 0.166 nan 8.310 nan 0.000 0.448 611 V N 0.995 121.010 119.914 0.170 0.000 2.287 611 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 611 V C 2.326 178.526 176.094 0.177 0.000 1.053 611 V CA 2.209 64.613 62.300 0.172 0.000 1.027 611 V CB -1.121 30.833 31.823 0.218 0.000 0.646 611 V HN 0.637 nan 8.190 nan 0.000 0.447 612 Y N 1.076 121.426 120.300 0.083 0.000 2.181 612 Y HA -0.268 4.282 4.550 -0.000 0.000 0.288 612 Y C 2.631 178.547 175.900 0.027 0.000 1.146 612 Y CA 1.934 60.007 58.100 -0.046 0.000 1.164 612 Y CB -0.430 37.913 38.460 -0.194 0.000 0.982 612 Y HN 0.324 nan 8.280 nan 0.000 0.515 613 Q N -0.203 119.604 119.800 0.013 0.000 2.135 613 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 613 Q C 2.166 178.142 176.000 -0.040 0.000 0.981 613 Q CA 1.845 57.619 55.803 -0.048 0.000 0.856 613 Q CB -0.216 28.559 28.738 0.062 0.000 0.902 613 Q HN 0.245 nan 8.270 nan 0.000 0.425 614 K N 1.007 121.412 120.400 0.007 0.000 2.057 614 K HA -0.102 4.217 4.320 -0.000 0.000 0.207 614 K C 1.821 178.479 176.600 0.096 0.000 1.049 614 K CA 1.435 57.765 56.287 0.073 0.000 0.931 614 K CB -0.098 32.444 32.500 0.070 0.000 0.714 614 K HN 0.136 nan 8.250 nan 0.000 0.440 615 M N 0.342 119.934 119.600 -0.013 0.000 2.086 615 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 615 M C 2.085 178.347 176.300 -0.065 0.000 1.067 615 M CA 1.834 57.117 55.300 -0.029 0.000 1.116 615 M CB -0.301 32.250 32.600 -0.081 0.000 1.348 615 M HN 0.050 nan 8.290 nan 0.000 0.407 616 K N -0.388 119.890 120.400 -0.203 0.000 2.097 616 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 616 K C 1.852 178.433 176.600 -0.033 0.000 1.049 616 K CA 1.359 57.557 56.287 -0.147 0.000 0.933 616 K CB -0.352 32.017 32.500 -0.217 0.000 0.717 616 K HN 0.185 nan 8.250 nan 0.000 0.442 617 F N 3.106 122.986 119.950 -0.117 0.000 2.075 617 F HA -0.209 4.317 4.527 -0.000 0.000 0.297 617 F C 1.726 177.486 175.800 -0.068 0.000 1.113 617 F CA 1.517 59.466 58.000 -0.085 0.000 1.218 617 F CB -0.364 38.602 39.000 -0.057 0.000 0.984 617 F HN 0.021 nan 8.300 nan 0.000 0.472 618 N N 0.512 119.176 118.700 -0.060 0.000 2.205 618 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 618 N C 2.074 177.511 175.510 -0.121 0.000 1.015 618 N CA 1.630 54.605 53.050 -0.125 0.000 0.862 618 N CB -0.788 37.721 38.487 0.036 0.000 0.986 618 N HN 0.282 nan 8.380 nan 0.000 0.429 619 V N 1.560 121.433 119.914 -0.068 0.000 2.270 619 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 619 V C 2.476 178.500 176.094 -0.116 0.000 1.043 619 V CA 1.807 64.105 62.300 -0.003 0.000 1.014 619 V CB -1.073 30.755 31.823 0.007 0.000 0.645 619 V HN 0.296 nan 8.190 nan 0.000 0.447 620 A N -0.434 122.182 122.820 -0.341 0.000 1.940 620 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 620 A C 2.127 179.378 177.584 -0.555 0.000 1.176 620 A CA 2.095 53.714 52.037 -0.696 0.000 0.631 620 A CB -0.442 18.242 19.000 -0.527 0.000 0.814 620 A HN 0.446 nan 8.150 nan 0.000 0.446 621 M N -1.401 117.934 119.600 -0.442 0.000 2.558 621 M HA 0.122 4.602 4.480 -0.000 0.000 0.255 621 M C 1.387 177.624 176.300 -0.105 0.000 1.113 621 M CA 0.776 55.874 55.300 -0.337 0.000 1.097 621 M CB -1.301 30.988 32.600 -0.517 0.000 1.426 621 M HN 0.764 nan 8.290 nan 0.000 0.488 622 G N 3.276 112.071 108.800 -0.008 0.000 2.333 622 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.296 622 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.296 622 G C 0.192 175.142 174.900 0.082 0.000 1.059 622 G CA 0.531 45.717 45.100 0.143 0.000 1.050 622 G HN 0.712 nan 8.290 nan 0.000 0.508 623 I N -3.121 117.465 120.570 0.027 0.000 2.917 623 I HA 0.593 4.763 4.170 -0.000 0.000 0.292 623 I C 0.675 176.818 176.117 0.043 0.000 1.510 623 I CA -0.437 60.876 61.300 0.021 0.000 0.858 623 I CB 0.796 38.787 38.000 -0.015 0.000 1.862 623 I HN 1.379 nan 8.210 nan 0.000 0.615 624 G N 2.998 111.836 108.800 0.064 0.000 3.129 624 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.304 624 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.304 624 G C 0.527 175.489 174.900 0.104 0.000 0.679 624 G CA -0.019 45.131 45.100 0.084 0.000 0.812 624 G HN 1.322 nan 8.290 nan 0.000 0.409 625 V N 1.391 121.381 119.914 0.126 0.000 2.469 625 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 625 V C 2.413 178.605 176.094 0.163 0.000 1.064 625 V CA 2.185 64.571 62.300 0.145 0.000 1.066 625 V CB -0.517 31.407 31.823 0.170 0.000 0.667 625 V HN 0.712 nan 8.190 nan 0.000 0.461 626 L N 0.261 121.604 121.223 0.201 0.000 2.611 626 L HA 0.307 4.646 4.340 -0.000 0.000 0.229 626 L C 0.441 177.382 176.870 0.118 0.000 1.137 626 L CA -0.234 54.702 54.840 0.160 0.000 0.901 626 L CB -0.565 41.583 42.059 0.149 0.000 1.098 626 L HN 0.352 nan 8.230 nan 0.000 0.456 627 D N 0.000 120.468 120.400 0.114 0.000 6.856 627 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 627 D CA 0.000 54.056 54.000 0.093 0.000 0.868 627 D CB 0.000 40.850 40.800 0.083 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683