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 3oof_1_C DATA FIRST_RESID 247 DATA SEQUENCE MELTPDQQTL LHFIMDSYNK QRMPQEITNK ILKEAFSAEE NFLILTEMAT DATA SEQUENCE NHVQVLVEFT KKLPGFQTLD HEDQIALLKG SAVEAMFLRS AEIFNKKLPS DATA SEQUENCE GHSDLLEARI RNSGISDEYI TPMFSFYKSI GELKMTQEEY ALLTAIVILS DATA SEQUENCE PDRQYIKDRE AVEKLQEPLL DVLQKLCKIH QPENPQHFAC LLGRLTELRT DATA SEQUENCE FNHHHAEMLM SWRVNDHKFT PLLCEIWDVQ 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 247 M HA 0.000 nan 4.480 nan 0.000 0.227 247 M C 0.000 176.258 176.300 -0.070 0.000 1.140 247 M CA 0.000 55.264 55.300 -0.060 0.000 0.988 247 M CB 0.000 32.569 32.600 -0.052 0.000 1.302 248 E N 1.357 121.521 120.200 -0.059 0.000 2.312 248 E HA 0.662 5.012 4.350 0.000 0.000 0.267 248 E C -1.084 175.484 176.600 -0.054 0.000 0.894 248 E CA -0.959 55.407 56.400 -0.057 0.000 0.773 248 E CB 2.876 32.555 29.700 -0.034 0.000 1.241 248 E HN 0.230 nan 8.360 nan 0.000 0.432 249 L N 2.198 123.392 121.223 -0.049 0.000 2.456 249 L HA 0.094 4.435 4.340 0.000 0.000 0.272 249 L C 0.908 177.753 176.870 -0.041 0.000 1.189 249 L CA 0.260 55.073 54.840 -0.045 0.000 0.846 249 L CB 0.364 42.402 42.059 -0.036 0.000 1.111 249 L HN 0.722 nan 8.230 nan 0.000 0.475 250 T N -0.091 114.436 114.554 -0.044 0.000 2.847 250 T HA 0.250 4.600 4.350 0.000 0.000 0.279 250 T C -1.806 172.867 174.700 -0.045 0.000 0.984 250 T CA -1.696 60.380 62.100 -0.039 0.000 0.988 250 T CB 1.294 70.141 68.868 -0.035 0.000 1.040 250 T HN 0.345 nan 8.240 nan 0.000 0.528 251 P HA -0.075 nan 4.420 nan 0.000 0.216 251 P C 0.861 178.132 177.300 -0.048 0.000 1.153 251 P CA 1.144 64.221 63.100 -0.038 0.000 0.858 251 P CB -0.056 31.629 31.700 -0.025 0.000 0.789 252 D N -1.292 119.083 120.400 -0.043 0.000 2.144 252 D HA -0.131 4.509 4.640 0.000 0.000 0.200 252 D C 2.139 178.409 176.300 -0.050 0.000 0.978 252 D CA 1.020 54.994 54.000 -0.044 0.000 0.833 252 D CB -0.487 40.291 40.800 -0.037 0.000 0.961 252 D HN 0.286 nan 8.370 nan 0.000 0.470 253 Q N -0.079 119.690 119.800 -0.052 0.000 2.079 253 Q HA -0.123 4.217 4.340 0.000 0.000 0.200 253 Q C 2.160 178.108 176.000 -0.087 0.000 0.974 253 Q CA 0.831 56.603 55.803 -0.052 0.000 0.840 253 Q CB -0.057 28.654 28.738 -0.046 0.000 0.898 253 Q HN 0.361 nan 8.270 nan 0.000 0.430 254 Q N -0.222 119.494 119.800 -0.141 0.000 2.084 254 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 254 Q C 2.008 177.786 176.000 -0.369 0.000 0.978 254 Q CA 1.599 57.212 55.803 -0.318 0.000 0.844 254 Q CB 0.110 28.686 28.738 -0.269 0.000 0.898 254 Q HN 0.313 nan 8.270 nan 0.000 0.426 255 T N 0.960 115.419 114.554 -0.157 0.000 2.708 255 T HA -0.158 4.192 4.350 0.000 0.000 0.266 255 T C 1.648 176.362 174.700 0.022 0.000 1.037 255 T CA 1.141 63.211 62.100 -0.050 0.000 1.146 255 T CB -0.272 68.569 68.868 -0.044 0.000 0.865 255 T HN 0.154 nan 8.240 nan 0.000 0.435 256 L N 1.327 122.553 121.223 0.005 0.000 1.994 256 L HA 0.004 4.344 4.340 0.000 0.000 0.208 256 L C 2.248 179.203 176.870 0.142 0.000 1.071 256 L CA 1.621 56.506 54.840 0.075 0.000 0.745 256 L CB -1.045 41.036 42.059 0.037 0.000 0.892 256 L HN 0.256 nan 8.230 nan 0.000 0.431 257 L N -0.690 120.573 121.223 0.067 0.000 1.990 257 L HA -0.286 4.054 4.340 0.000 0.000 0.213 257 L C 2.429 179.435 176.870 0.226 0.000 1.072 257 L CA 2.182 57.087 54.840 0.108 0.000 0.755 257 L CB -0.994 41.094 42.059 0.048 0.000 0.889 257 L HN 0.491 nan 8.230 nan 0.000 0.432 258 H N -2.214 116.934 119.070 0.131 0.000 2.387 258 H HA -0.184 4.372 4.556 0.000 0.000 0.299 258 H C 1.957 177.383 175.328 0.163 0.000 1.090 258 H CA 1.340 57.466 56.048 0.129 0.000 1.332 258 H CB -0.118 29.713 29.762 0.114 0.000 1.386 258 H HN 0.476 nan 8.280 nan 0.000 0.516 259 F N 1.244 121.297 119.950 0.172 0.000 2.146 259 F HA -0.164 4.363 4.527 0.000 0.000 0.298 259 F C 2.093 177.956 175.800 0.105 0.000 1.096 259 F CA 0.760 58.823 58.000 0.105 0.000 1.275 259 F CB -0.122 38.912 39.000 0.056 0.000 1.008 259 F HN 0.022 nan 8.300 nan 0.000 0.480 260 I N -0.113 120.550 120.570 0.155 0.000 2.226 260 I HA -0.280 3.890 4.170 0.000 0.000 0.245 260 I C 2.334 178.568 176.117 0.194 0.000 1.100 260 I CA 1.137 62.509 61.300 0.121 0.000 1.374 260 I CB -1.100 37.011 38.000 0.186 0.000 1.057 260 I HN 0.223 nan 8.210 nan 0.000 0.413 261 M N 0.446 120.152 119.600 0.176 0.000 2.080 261 M HA -0.250 4.230 4.480 0.000 0.000 0.260 261 M C 2.030 178.420 176.300 0.148 0.000 1.068 261 M CA 1.790 57.197 55.300 0.177 0.000 1.109 261 M CB -1.381 31.310 32.600 0.151 0.000 1.342 261 M HN 0.251 nan 8.290 nan 0.000 0.405 262 D N -0.180 120.256 120.400 0.059 0.000 2.092 262 D HA -0.125 4.515 4.640 0.000 0.000 0.193 262 D C 1.747 178.034 176.300 -0.021 0.000 0.994 262 D CA 2.151 56.148 54.000 -0.006 0.000 0.828 262 D CB 0.153 40.922 40.800 -0.052 0.000 0.963 262 D HN 0.318 nan 8.370 nan 0.000 0.450 263 S N -1.042 114.603 115.700 -0.092 0.000 2.382 263 S HA -0.190 4.280 4.470 0.000 0.000 0.228 263 S C 1.841 176.615 174.600 0.291 0.000 1.027 263 S CA 0.852 59.057 58.200 0.008 0.000 0.991 263 S CB -0.755 62.336 63.200 -0.182 0.000 0.823 263 S HN 0.418 nan 8.310 nan 0.000 0.469 264 Y N 2.993 123.441 120.300 0.246 0.000 2.293 264 Y HA -0.038 4.512 4.550 0.000 0.000 0.291 264 Y C 1.901 177.782 175.900 -0.031 0.000 1.137 264 Y CA 0.968 59.089 58.100 0.035 0.000 1.202 264 Y CB -0.433 38.042 38.460 0.024 0.000 0.990 264 Y HN 0.149 nan 8.280 nan 0.000 0.537 265 N N 0.174 118.913 118.700 0.065 0.000 2.453 265 N HA -0.115 4.625 4.740 0.000 0.000 0.183 265 N C 1.008 176.472 175.510 -0.077 0.000 1.041 265 N CA 0.821 53.864 53.050 -0.011 0.000 0.900 265 N CB -0.155 38.351 38.487 0.031 0.000 0.961 265 N HN 0.256 nan 8.380 nan 0.000 0.443 266 K N 1.692 122.045 120.400 -0.079 0.000 2.632 266 K HA -0.015 4.305 4.320 0.000 0.000 0.196 266 K C 0.616 177.141 176.600 -0.125 0.000 1.023 266 K CA 0.152 56.391 56.287 -0.080 0.000 1.098 266 K CB -0.201 32.270 32.500 -0.047 0.000 0.862 266 K HN 0.589 nan 8.250 nan 0.000 0.504 267 Q N -0.325 119.360 119.800 -0.192 0.000 2.297 267 Q HA 0.358 4.698 4.340 0.000 0.000 0.269 267 Q C -0.582 175.324 176.000 -0.156 0.000 1.051 267 Q CA -0.989 54.691 55.803 -0.205 0.000 0.869 267 Q CB 1.276 29.822 28.738 -0.320 0.000 1.346 267 Q HN -0.101 nan 8.270 nan 0.000 0.457 268 R N 1.115 121.541 120.500 -0.123 0.000 2.537 268 R HA 0.055 4.395 4.340 0.000 0.000 0.281 268 R C 0.118 176.361 176.300 -0.095 0.000 0.988 268 R CA 0.214 56.260 56.100 -0.090 0.000 1.077 268 R CB 0.102 30.360 30.300 -0.071 0.000 0.932 268 R HN 0.544 nan 8.270 nan 0.000 0.409 269 M N 4.944 124.501 119.600 -0.073 0.000 2.239 269 M HA 0.061 4.541 4.480 0.000 0.000 0.348 269 M C -1.431 174.834 176.300 -0.058 0.000 1.239 269 M CA -2.069 53.192 55.300 -0.065 0.000 1.114 269 M CB 0.092 32.665 32.600 -0.045 0.000 1.641 269 M HN 0.237 nan 8.290 nan 0.000 0.453 270 P HA -0.176 nan 4.420 nan 0.000 0.217 270 P C 1.317 178.598 177.300 -0.031 0.000 1.148 270 P CA 1.280 64.347 63.100 -0.055 0.000 0.828 270 P CB 0.120 31.780 31.700 -0.068 0.000 0.783 271 Q N -0.251 119.534 119.800 -0.025 0.000 2.084 271 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 271 Q C 2.152 178.153 176.000 0.001 0.000 0.978 271 Q CA 1.402 57.201 55.803 -0.008 0.000 0.844 271 Q CB -0.873 27.859 28.738 -0.009 0.000 0.898 271 Q HN 0.473 nan 8.270 nan 0.000 0.426 272 E N 0.135 120.329 120.200 -0.010 0.000 2.085 272 E HA -0.199 4.151 4.350 0.000 0.000 0.194 272 E C 1.826 178.425 176.600 -0.002 0.000 0.994 272 E CA 0.952 57.347 56.400 -0.008 0.000 0.801 272 E CB 0.034 29.721 29.700 -0.023 0.000 0.743 272 E HN 0.220 nan 8.360 nan 0.000 0.453 273 I N 0.613 121.178 120.570 -0.008 0.000 2.162 273 I HA -0.238 3.932 4.170 0.000 0.000 0.238 273 I C 2.768 178.904 176.117 0.031 0.000 1.076 273 I CA 1.801 63.100 61.300 -0.001 0.000 1.353 273 I CB -0.714 37.276 38.000 -0.017 0.000 1.063 273 I HN 0.239 nan 8.210 nan 0.000 0.408 274 T N -1.472 113.102 114.554 0.035 0.000 2.867 274 T HA -0.121 4.229 4.350 0.000 0.000 0.268 274 T C 1.831 176.578 174.700 0.078 0.000 1.057 274 T CA 1.313 63.449 62.100 0.061 0.000 1.136 274 T CB -0.519 68.376 68.868 0.045 0.000 0.874 274 T HN 0.174 nan 8.240 nan 0.000 0.466 275 N N 1.645 120.384 118.700 0.065 0.000 2.120 275 N HA -0.038 4.702 4.740 0.000 0.000 0.188 275 N C 1.765 177.334 175.510 0.098 0.000 1.024 275 N CA 1.360 54.454 53.050 0.073 0.000 0.852 275 N CB -0.367 38.152 38.487 0.054 0.000 1.003 275 N HN 0.610 nan 8.380 nan 0.000 0.424 276 K N 0.793 121.252 120.400 0.098 0.000 2.057 276 K HA -0.001 4.319 4.320 0.000 0.000 0.207 276 K C 1.885 178.649 176.600 0.273 0.000 1.049 276 K CA 0.971 57.340 56.287 0.138 0.000 0.931 276 K CB -0.077 32.451 32.500 0.046 0.000 0.714 276 K HN 0.080 nan 8.250 nan 0.000 0.440 277 I N 0.655 121.362 120.570 0.229 0.000 2.406 277 I HA -0.195 3.975 4.170 0.000 0.000 0.249 277 I C 1.923 178.194 176.117 0.256 0.000 1.122 277 I CA 0.730 62.221 61.300 0.320 0.000 1.431 277 I CB 0.036 38.165 38.000 0.216 0.000 1.087 277 I HN 0.137 nan 8.210 nan 0.000 0.424 278 L N 0.038 121.347 121.223 0.143 0.000 2.270 278 L HA -0.087 4.253 4.340 0.000 0.000 0.210 278 L C 2.411 179.276 176.870 -0.008 0.000 1.104 278 L CA 0.569 55.438 54.840 0.047 0.000 0.804 278 L CB -0.337 41.733 42.059 0.019 0.000 0.937 278 L HN 0.063 nan 8.230 nan 0.000 0.450 279 K N 1.235 121.652 120.400 0.028 0.000 2.113 279 K HA -0.134 4.186 4.320 0.000 0.000 0.208 279 K C 0.111 176.640 176.600 -0.118 0.000 1.047 279 K CA 1.185 57.464 56.287 -0.014 0.000 0.928 279 K CB 0.093 32.623 32.500 0.050 0.000 0.716 279 K HN 0.551 nan 8.250 nan 0.000 0.446 280 E N -2.367 117.666 120.200 -0.278 0.000 2.375 280 E HA 0.548 4.898 4.350 0.000 0.000 0.280 280 E C -1.635 174.503 176.600 -0.770 0.000 0.972 280 E CA -0.912 55.207 56.400 -0.468 0.000 0.782 280 E CB 1.249 30.664 29.700 -0.476 0.000 1.229 280 E HN -0.003 nan 8.360 nan 0.000 0.439 281 A N 2.237 124.773 122.820 -0.474 0.000 2.409 281 A HA 0.596 4.916 4.320 0.000 0.000 0.262 281 A C -1.043 176.287 177.584 -0.424 0.000 1.113 281 A CA -0.251 51.586 52.037 -0.333 0.000 0.790 281 A CB -0.260 18.667 19.000 -0.121 0.000 1.046 281 A HN 0.434 nan 8.150 nan 0.000 0.496 282 F N 0.966 120.954 119.950 0.064 0.000 2.523 282 F HA 0.514 5.041 4.527 0.000 0.000 0.329 282 F C 1.210 177.060 175.800 0.083 0.000 1.061 282 F CA -0.320 57.720 58.000 0.067 0.000 0.967 282 F CB 1.562 40.605 39.000 0.072 0.000 1.218 282 F HN 0.651 nan 8.300 nan 0.000 0.480 283 S N 0.687 116.550 115.700 0.272 0.000 2.584 283 S HA 0.364 4.834 4.470 0.000 0.000 0.270 283 S C 1.107 175.852 174.600 0.241 0.000 1.346 283 S CA -0.302 58.014 58.200 0.193 0.000 1.018 283 S CB 1.116 64.400 63.200 0.140 0.000 0.899 283 S HN 0.885 nan 8.310 nan 0.000 0.542 284 A N 1.485 124.440 122.820 0.225 0.000 1.986 284 A HA -0.142 4.178 4.320 0.000 0.000 0.220 284 A C 2.219 180.017 177.584 0.356 0.000 1.171 284 A CA 1.573 53.809 52.037 0.332 0.000 0.640 284 A CB -0.820 18.325 19.000 0.241 0.000 0.811 284 A HN 0.932 nan 8.150 nan 0.000 0.451 285 E N 0.381 120.697 120.200 0.194 0.000 2.107 285 E HA -0.176 4.174 4.350 0.000 0.000 0.191 285 E C 1.582 178.240 176.600 0.098 0.000 0.982 285 E CA 1.234 57.705 56.400 0.118 0.000 0.809 285 E CB -0.569 29.157 29.700 0.043 0.000 0.756 285 E HN 0.800 nan 8.360 nan 0.000 0.459 286 E N 0.836 121.095 120.200 0.099 0.000 2.072 286 E HA -0.075 4.275 4.350 0.000 0.000 0.190 286 E C 1.969 178.530 176.600 -0.066 0.000 0.982 286 E CA 0.561 56.969 56.400 0.015 0.000 0.803 286 E CB 0.001 29.757 29.700 0.093 0.000 0.755 286 E HN 0.188 nan 8.360 nan 0.000 0.453 287 N N 0.520 119.267 118.700 0.078 0.000 2.142 287 N HA -0.146 4.594 4.740 0.000 0.000 0.186 287 N C 1.620 177.084 175.510 -0.076 0.000 1.023 287 N CA 0.788 53.894 53.050 0.093 0.000 0.852 287 N CB -0.318 38.403 38.487 0.389 0.000 0.998 287 N HN 0.107 nan 8.380 nan 0.000 0.424 288 F N 1.688 121.471 119.950 -0.278 0.000 2.171 288 F HA -0.063 4.464 4.527 0.000 0.000 0.300 288 F C 2.095 177.619 175.800 -0.460 0.000 1.090 288 F CA 0.777 58.359 58.000 -0.697 0.000 1.293 288 F CB -0.180 38.408 39.000 -0.685 0.000 1.013 288 F HN -0.041 nan 8.300 nan 0.000 0.486 289 L N 0.301 121.341 121.223 -0.304 0.000 2.093 289 L HA -0.189 4.151 4.340 0.000 0.000 0.208 289 L C 2.284 178.946 176.870 -0.346 0.000 1.085 289 L CA 1.704 56.355 54.840 -0.317 0.000 0.755 289 L CB -0.995 40.963 42.059 -0.169 0.000 0.904 289 L HN 0.245 nan 8.230 nan 0.000 0.435 290 I N -0.811 119.566 120.570 -0.322 0.000 2.202 290 I HA -0.328 3.842 4.170 0.000 0.000 0.242 290 I C 2.477 178.408 176.117 -0.311 0.000 1.091 290 I CA 0.752 61.875 61.300 -0.295 0.000 1.368 290 I CB -0.302 37.517 38.000 -0.303 0.000 1.058 290 I HN 0.215 nan 8.210 nan 0.000 0.410 291 L N 0.968 121.951 121.223 -0.400 0.000 2.013 291 L HA -0.262 4.078 4.340 0.000 0.000 0.212 291 L C 2.735 179.302 176.870 -0.505 0.000 1.073 291 L CA 2.773 57.333 54.840 -0.467 0.000 0.753 291 L CB -1.127 40.524 42.059 -0.680 0.000 0.890 291 L HN 0.483 nan 8.230 nan 0.000 0.432 292 T N -3.614 110.563 114.554 -0.629 0.000 2.788 292 T HA -0.206 4.144 4.350 0.000 0.000 0.268 292 T C 1.857 176.370 174.700 -0.312 0.000 1.044 292 T CA 1.228 63.018 62.100 -0.516 0.000 1.139 292 T CB -0.586 67.932 68.868 -0.583 0.000 0.867 292 T HN 0.509 nan 8.240 nan 0.000 0.454 293 E N 0.813 120.852 120.200 -0.270 0.000 2.028 293 E HA -0.106 4.244 4.350 0.000 0.000 0.191 293 E C 2.246 178.763 176.600 -0.140 0.000 0.988 293 E CA 1.091 57.385 56.400 -0.177 0.000 0.799 293 E CB -0.256 29.343 29.700 -0.169 0.000 0.755 293 E HN 0.367 nan 8.360 nan 0.000 0.447 294 M N 0.612 120.119 119.600 -0.155 0.000 2.082 294 M HA -0.158 4.322 4.480 0.000 0.000 0.258 294 M C 2.417 178.681 176.300 -0.060 0.000 1.069 294 M CA 1.682 56.919 55.300 -0.105 0.000 1.102 294 M CB -1.540 30.988 32.600 -0.121 0.000 1.336 294 M HN 0.158 nan 8.290 nan 0.000 0.404 295 A N -0.602 122.150 122.820 -0.114 0.000 1.930 295 A HA -0.115 4.205 4.320 0.000 0.000 0.217 295 A C 2.330 179.945 177.584 0.051 0.000 1.175 295 A CA 2.111 54.134 52.037 -0.024 0.000 0.627 295 A CB -1.024 17.860 19.000 -0.192 0.000 0.815 295 A HN 0.501 nan 8.150 nan 0.000 0.443 296 T N 0.317 114.852 114.554 -0.033 0.000 2.737 296 T HA -0.159 4.191 4.350 0.000 0.000 0.265 296 T C 2.006 176.704 174.700 -0.002 0.000 1.038 296 T CA 1.312 63.406 62.100 -0.011 0.000 1.144 296 T CB -0.449 68.391 68.868 -0.047 0.000 0.866 296 T HN 0.708 nan 8.240 nan 0.000 0.434 297 N N 0.723 119.411 118.700 -0.020 0.000 2.120 297 N HA -0.228 4.512 4.740 0.000 0.000 0.188 297 N C 1.959 177.450 175.510 -0.032 0.000 1.024 297 N CA 1.238 54.270 53.050 -0.030 0.000 0.852 297 N CB -0.361 38.101 38.487 -0.041 0.000 1.003 297 N HN 0.520 nan 8.380 nan 0.000 0.424 298 H N 0.772 119.807 119.070 -0.057 0.000 2.352 298 H HA -0.094 4.462 4.556 0.000 0.000 0.299 298 H C 2.079 177.384 175.328 -0.039 0.000 1.097 298 H CA 1.583 57.595 56.048 -0.060 0.000 1.311 298 H CB -0.216 29.516 29.762 -0.051 0.000 1.377 298 H HN 0.130 nan 8.280 nan 0.000 0.504 299 V N 1.183 121.072 119.914 -0.042 0.000 2.515 299 V HA -0.211 3.909 4.120 0.000 0.000 0.250 299 V C 2.317 178.351 176.094 -0.099 0.000 1.058 299 V CA 1.862 64.126 62.300 -0.059 0.000 1.064 299 V CB -0.259 31.610 31.823 0.077 0.000 0.675 299 V HN 0.491 nan 8.190 nan 0.000 0.461 300 Q N -0.830 118.924 119.800 -0.076 0.000 2.079 300 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 300 Q C 2.196 178.142 176.000 -0.090 0.000 0.974 300 Q CA 1.917 57.682 55.803 -0.062 0.000 0.840 300 Q CB -0.213 28.499 28.738 -0.043 0.000 0.898 300 Q HN 0.604 nan 8.270 nan 0.000 0.430 301 V N 0.818 120.644 119.914 -0.147 0.000 2.453 301 V HA -0.215 3.905 4.120 0.000 0.000 0.247 301 V C 2.105 178.103 176.094 -0.160 0.000 1.048 301 V CA 1.131 63.335 62.300 -0.159 0.000 1.049 301 V CB -0.433 31.269 31.823 -0.202 0.000 0.672 301 V HN 0.268 nan 8.190 nan 0.000 0.457 302 L N 0.050 121.112 121.223 -0.267 0.000 2.056 302 L HA -0.090 4.250 4.340 0.000 0.000 0.207 302 L C 2.459 179.303 176.870 -0.044 0.000 1.078 302 L CA 1.754 56.484 54.840 -0.183 0.000 0.749 302 L CB -0.467 41.417 42.059 -0.291 0.000 0.901 302 L HN 0.148 nan 8.230 nan 0.000 0.433 303 V N -0.476 119.399 119.914 -0.065 0.000 2.343 303 V HA -0.238 3.882 4.120 0.000 0.000 0.247 303 V C 2.488 178.559 176.094 -0.038 0.000 1.051 303 V CA 1.961 64.235 62.300 -0.044 0.000 1.036 303 V CB -0.355 31.462 31.823 -0.010 0.000 0.654 303 V HN 0.551 nan 8.190 nan 0.000 0.451 304 E N -0.353 119.836 120.200 -0.019 0.000 2.106 304 E HA -0.182 4.168 4.350 0.000 0.000 0.192 304 E C 1.898 178.495 176.600 -0.004 0.000 0.984 304 E CA 1.595 57.990 56.400 -0.009 0.000 0.806 304 E CB -0.572 29.123 29.700 -0.009 0.000 0.750 304 E HN 0.765 nan 8.360 nan 0.000 0.458 305 F N 1.894 121.768 119.950 -0.126 0.000 2.186 305 F HA -0.159 4.368 4.527 0.000 0.000 0.299 305 F C 2.182 177.898 175.800 -0.141 0.000 1.090 305 F CA 1.561 59.489 58.000 -0.119 0.000 1.307 305 F CB -0.233 38.705 39.000 -0.103 0.000 1.019 305 F HN -0.096 nan 8.300 nan 0.000 0.489 306 T N 0.348 114.805 114.554 -0.161 0.000 2.777 306 T HA -0.159 4.191 4.350 0.000 0.000 0.266 306 T C 1.898 176.253 174.700 -0.575 0.000 1.040 306 T CA 1.540 63.354 62.100 -0.477 0.000 1.141 306 T CB -0.201 68.358 68.868 -0.517 0.000 0.868 306 T HN 0.204 nan 8.240 nan 0.000 0.444 307 K N 0.863 121.107 120.400 -0.261 0.000 2.147 307 K HA -0.001 4.319 4.320 0.000 0.000 0.205 307 K C 2.088 178.697 176.600 0.016 0.000 1.049 307 K CA 0.978 57.256 56.287 -0.015 0.000 0.936 307 K CB 0.019 32.547 32.500 0.046 0.000 0.722 307 K HN 0.223 nan 8.250 nan 0.000 0.446 308 K N 0.557 120.912 120.400 -0.076 0.000 2.487 308 K HA 0.079 4.399 4.320 0.000 0.000 0.192 308 K C -0.013 176.614 176.600 0.045 0.000 1.027 308 K CA 0.052 56.342 56.287 0.004 0.000 1.054 308 K CB 0.128 32.563 32.500 -0.108 0.000 0.824 308 K HN 0.088 nan 8.250 nan 0.000 0.510 309 L N 3.381 124.543 121.223 -0.101 0.000 2.418 309 L HA 0.100 4.440 4.340 0.000 0.000 0.274 309 L C -2.169 174.760 176.870 0.098 0.000 1.135 309 L CA -2.030 52.779 54.840 -0.052 0.000 0.870 309 L CB 0.010 41.972 42.059 -0.163 0.000 1.154 309 L HN -0.204 nan 8.230 nan 0.000 0.462 310 P HA -0.058 nan 4.420 nan 0.000 0.255 310 P C 0.881 178.216 177.300 0.059 0.000 1.161 310 P CA 0.981 64.106 63.100 0.043 0.000 0.768 310 P CB 0.488 32.187 31.700 -0.002 0.000 0.746 311 G N 3.032 111.861 108.800 0.049 0.000 2.225 311 G HA2 -0.394 3.566 3.960 0.000 0.000 0.254 311 G HA3 -0.394 3.566 3.960 0.000 0.000 0.254 311 G C 0.844 175.772 174.900 0.047 0.000 0.988 311 G CA 0.179 45.298 45.100 0.032 0.000 0.625 311 G HN 0.473 nan 8.290 nan 0.000 0.527 312 F N 1.756 121.690 119.950 -0.027 0.000 2.120 312 F HA -0.111 4.416 4.527 0.000 0.000 0.300 312 F C 2.772 178.541 175.800 -0.052 0.000 1.095 312 F CA 2.742 60.723 58.000 -0.031 0.000 1.249 312 F CB -0.011 38.972 39.000 -0.027 0.000 0.995 312 F HN 0.306 nan 8.300 nan 0.000 0.480 313 Q N -0.662 119.136 119.800 -0.003 0.000 2.291 313 Q HA -0.134 4.206 4.340 0.000 0.000 0.205 313 Q C 2.213 178.094 176.000 -0.198 0.000 0.970 313 Q CA 1.748 57.486 55.803 -0.108 0.000 0.876 313 Q CB -0.859 27.880 28.738 0.001 0.000 0.935 313 Q HN 0.604 nan 8.270 nan 0.000 0.455 314 T N -1.838 112.624 114.554 -0.153 0.000 3.023 314 T HA 0.061 4.411 4.350 0.000 0.000 0.266 314 T C 1.222 175.810 174.700 -0.187 0.000 1.093 314 T CA -0.048 61.969 62.100 -0.139 0.000 1.129 314 T CB -0.193 68.627 68.868 -0.081 0.000 0.899 314 T HN 0.014 nan 8.240 nan 0.000 0.491 315 L N 2.107 123.166 121.223 -0.273 0.000 2.482 315 L HA 0.215 4.555 4.340 0.000 0.000 0.273 315 L C 0.717 177.425 176.870 -0.271 0.000 1.228 315 L CA -0.414 54.260 54.840 -0.276 0.000 0.827 315 L CB -0.056 41.766 42.059 -0.395 0.000 1.099 315 L HN 0.256 nan 8.230 nan 0.000 0.494 316 D N -0.244 120.052 120.400 -0.173 0.000 2.455 316 D HA -0.087 4.553 4.640 0.000 0.000 0.241 316 D C 1.354 177.575 176.300 -0.132 0.000 1.138 316 D CA 0.244 54.176 54.000 -0.113 0.000 0.877 316 D CB 0.611 41.382 40.800 -0.048 0.000 1.187 316 D HN 0.349 nan 8.370 nan 0.000 0.451 317 H N 2.741 121.757 119.070 -0.090 0.000 2.394 317 H HA -0.133 4.423 4.556 0.000 0.000 0.297 317 H C 1.258 176.552 175.328 -0.056 0.000 1.113 317 H CA 1.419 57.421 56.048 -0.077 0.000 1.277 317 H CB 0.478 30.213 29.762 -0.045 0.000 1.370 317 H HN 0.560 nan 8.280 nan 0.000 0.506 318 E N 0.392 120.642 120.200 0.084 0.000 2.152 318 E HA -0.092 4.258 4.350 0.000 0.000 0.192 318 E C 1.836 178.456 176.600 0.034 0.000 0.983 318 E CA 0.521 56.948 56.400 0.046 0.000 0.818 318 E CB -0.133 29.582 29.700 0.024 0.000 0.758 318 E HN 0.476 nan 8.360 nan 0.000 0.467 319 D N 0.648 121.050 120.400 0.003 0.000 2.183 319 D HA -0.081 4.559 4.640 0.000 0.000 0.203 319 D C 1.905 178.195 176.300 -0.016 0.000 0.969 319 D CA 0.608 54.606 54.000 -0.003 0.000 0.842 319 D CB -0.007 40.769 40.800 -0.040 0.000 0.957 319 D HN 0.245 nan 8.370 nan 0.000 0.484 320 Q N -0.100 119.642 119.800 -0.097 0.000 2.079 320 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 320 Q C 2.163 178.276 176.000 0.189 0.000 0.974 320 Q CA 0.709 56.456 55.803 -0.093 0.000 0.840 320 Q CB 0.142 28.714 28.738 -0.276 0.000 0.898 320 Q HN 0.318 nan 8.270 nan 0.000 0.430 321 I N 0.667 121.314 120.570 0.129 0.000 2.179 321 I HA -0.217 3.953 4.170 0.000 0.000 0.242 321 I C 2.421 178.615 176.117 0.128 0.000 1.088 321 I CA 1.346 62.723 61.300 0.128 0.000 1.357 321 I CB -1.634 36.416 38.000 0.082 0.000 1.051 321 I HN 0.094 nan 8.210 nan 0.000 0.409 322 A N 1.397 124.291 122.820 0.125 0.000 1.908 322 A HA -0.154 4.166 4.320 0.000 0.000 0.218 322 A C 2.463 180.130 177.584 0.139 0.000 1.181 322 A CA 1.331 53.458 52.037 0.151 0.000 0.627 322 A CB -0.883 18.220 19.000 0.171 0.000 0.818 322 A HN 0.387 nan 8.150 nan 0.000 0.445 323 L N -1.032 120.287 121.223 0.160 0.000 2.012 323 L HA -0.198 4.142 4.340 0.000 0.000 0.210 323 L C 2.686 179.645 176.870 0.148 0.000 1.073 323 L CA 1.358 56.307 54.840 0.181 0.000 0.748 323 L CB -0.510 41.736 42.059 0.310 0.000 0.891 323 L HN 0.416 nan 8.230 nan 0.000 0.431 324 L N -0.217 121.105 121.223 0.165 0.000 2.005 324 L HA -0.235 4.105 4.340 0.000 0.000 0.207 324 L C 2.706 179.604 176.870 0.047 0.000 1.072 324 L CA 1.242 56.138 54.840 0.093 0.000 0.744 324 L CB -0.315 41.812 42.059 0.114 0.000 0.895 324 L HN 0.177 nan 8.230 nan 0.000 0.433 325 K N 0.384 120.818 120.400 0.056 0.000 2.097 325 K HA -0.122 4.198 4.320 0.000 0.000 0.206 325 K C 1.792 178.387 176.600 -0.008 0.000 1.049 325 K CA 1.692 57.992 56.287 0.022 0.000 0.933 325 K CB -0.746 31.789 32.500 0.058 0.000 0.717 325 K HN 0.254 nan 8.250 nan 0.000 0.442 326 G N -0.757 108.060 108.800 0.028 0.000 2.448 326 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 326 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 326 G C 1.462 176.349 174.900 -0.022 0.000 1.135 326 G CA 0.952 46.058 45.100 0.010 0.000 0.784 326 G HN 0.506 nan 8.290 nan 0.000 0.543 327 S N 0.137 115.832 115.700 -0.009 0.000 2.483 327 S HA 0.460 4.930 4.470 0.000 0.000 0.221 327 S C 2.506 177.082 174.600 -0.040 0.000 1.030 327 S CA 1.004 59.199 58.200 -0.008 0.000 0.925 327 S CB 0.044 63.266 63.200 0.037 0.000 0.795 327 S HN 0.451 nan 8.310 nan 0.000 0.511 328 A N 2.391 125.167 122.820 -0.073 0.000 1.869 328 A HA -0.090 4.230 4.320 0.000 0.000 0.218 328 A C 2.348 179.830 177.584 -0.169 0.000 1.203 328 A CA 2.333 54.321 52.037 -0.082 0.000 0.638 328 A CB -1.448 17.489 19.000 -0.106 0.000 0.831 328 A HN 0.457 nan 8.150 nan 0.000 0.450 329 V N -0.250 119.409 119.914 -0.424 0.000 2.343 329 V HA -0.265 3.855 4.120 0.000 0.000 0.247 329 V C 2.426 178.391 176.094 -0.214 0.000 1.051 329 V CA 2.302 64.216 62.300 -0.643 0.000 1.036 329 V CB -0.918 30.222 31.823 -1.137 0.000 0.654 329 V HN 0.644 nan 8.190 nan 0.000 0.451 330 E N 0.169 120.315 120.200 -0.090 0.000 2.085 330 E HA -0.227 4.123 4.350 0.000 0.000 0.194 330 E C 2.284 178.946 176.600 0.103 0.000 0.994 330 E CA 1.420 57.850 56.400 0.050 0.000 0.801 330 E CB -0.297 29.404 29.700 0.002 0.000 0.743 330 E HN 0.610 nan 8.360 nan 0.000 0.453 331 A N 0.901 123.762 122.820 0.070 0.000 1.968 331 A HA -0.153 4.167 4.320 0.000 0.000 0.217 331 A C 2.085 179.674 177.584 0.009 0.000 1.169 331 A CA 1.362 53.477 52.037 0.130 0.000 0.638 331 A CB -0.380 18.733 19.000 0.188 0.000 0.812 331 A HN 0.279 nan 8.150 nan 0.000 0.446 332 M N -1.287 118.164 119.600 -0.249 0.000 2.117 332 M HA -0.002 4.478 4.480 0.000 0.000 0.262 332 M C 1.421 177.488 176.300 -0.389 0.000 1.065 332 M CA 1.888 56.744 55.300 -0.739 0.000 1.114 332 M CB -0.777 31.455 32.600 -0.615 0.000 1.361 332 M HN 0.183 nan 8.290 nan 0.000 0.408 333 F N -0.376 119.601 119.950 0.045 0.000 2.293 333 F HA 0.030 4.557 4.527 0.000 0.000 0.297 333 F C 1.992 177.981 175.800 0.315 0.000 1.089 333 F CA 0.911 59.056 58.000 0.242 0.000 1.377 333 F CB -0.958 38.219 39.000 0.295 0.000 1.051 333 F HN 0.221 nan 8.300 nan 0.000 0.511 334 L N 0.417 121.884 121.223 0.407 0.000 2.083 334 L HA -0.155 4.185 4.340 0.000 0.000 0.209 334 L C 2.508 179.515 176.870 0.229 0.000 1.083 334 L CA 1.656 56.743 54.840 0.412 0.000 0.752 334 L CB -0.588 41.675 42.059 0.340 0.000 0.899 334 L HN -0.021 nan 8.230 nan 0.000 0.433 335 R N -1.019 119.542 120.500 0.102 0.000 2.090 335 R HA -0.051 4.290 4.340 0.000 0.000 0.228 335 R C 2.236 178.481 176.300 -0.092 0.000 1.110 335 R CA 1.660 57.750 56.100 -0.016 0.000 0.973 335 R CB -0.531 29.748 30.300 -0.034 0.000 0.869 335 R HN 0.386 nan 8.270 nan 0.000 0.440 336 S N 0.236 115.888 115.700 -0.080 0.000 2.382 336 S HA -0.114 4.356 4.470 0.000 0.000 0.228 336 S C 1.934 176.286 174.600 -0.414 0.000 1.027 336 S CA 1.139 59.240 58.200 -0.164 0.000 0.991 336 S CB -0.361 62.822 63.200 -0.028 0.000 0.823 336 S HN 0.563 nan 8.310 nan 0.000 0.469 337 A N 1.339 123.944 122.820 -0.358 0.000 1.930 337 A HA -0.147 4.173 4.320 0.000 0.000 0.217 337 A C 2.034 179.544 177.584 -0.124 0.000 1.175 337 A CA 1.691 53.522 52.037 -0.342 0.000 0.627 337 A CB -0.569 18.399 19.000 -0.053 0.000 0.815 337 A HN 0.614 nan 8.150 nan 0.000 0.443 338 E N -0.056 120.032 120.200 -0.187 0.000 2.031 338 E HA -0.184 4.166 4.350 0.000 0.000 0.193 338 E C 1.862 178.301 176.600 -0.269 0.000 0.994 338 E CA 1.466 57.569 56.400 -0.496 0.000 0.800 338 E CB -0.262 28.922 29.700 -0.860 0.000 0.752 338 E HN 0.636 nan 8.360 nan 0.000 0.447 339 I N 0.305 120.761 120.570 -0.189 0.000 2.179 339 I HA -0.236 3.934 4.170 0.000 0.000 0.242 339 I C 2.314 178.396 176.117 -0.057 0.000 1.088 339 I CA 0.998 62.232 61.300 -0.111 0.000 1.357 339 I CB -0.345 37.605 38.000 -0.084 0.000 1.051 339 I HN 0.191 nan 8.210 nan 0.000 0.409 340 F N 2.065 121.891 119.950 -0.207 0.000 2.120 340 F HA -0.262 4.266 4.527 0.000 0.000 0.300 340 F C 1.849 177.623 175.800 -0.043 0.000 1.095 340 F CA 1.967 59.884 58.000 -0.139 0.000 1.249 340 F CB -0.470 38.347 39.000 -0.305 0.000 0.995 340 F HN 0.095 nan 8.300 nan 0.000 0.480 341 N N -0.510 118.195 118.700 0.009 0.000 2.322 341 N HA 0.010 4.750 4.740 0.000 0.000 0.194 341 N C -0.120 175.371 175.510 -0.032 0.000 1.126 341 N CA -0.143 52.910 53.050 0.005 0.000 0.845 341 N CB 0.062 38.628 38.487 0.132 0.000 0.976 341 N HN 0.033 nan 8.380 nan 0.000 0.475 342 K N 1.544 121.901 120.400 -0.072 0.000 2.382 342 K HA 0.055 4.375 4.320 0.000 0.000 0.275 342 K C -0.014 176.546 176.600 -0.067 0.000 1.009 342 K CA -0.297 55.955 56.287 -0.058 0.000 0.970 342 K CB 0.540 32.999 32.500 -0.068 0.000 0.934 342 K HN -0.237 nan 8.250 nan 0.000 0.479 343 K N 4.681 125.054 120.400 -0.046 0.000 2.412 343 K HA 0.123 4.443 4.320 0.000 0.000 0.284 343 K C -0.692 175.867 176.600 -0.069 0.000 1.046 343 K CA 0.226 56.482 56.287 -0.052 0.000 0.999 343 K CB -0.062 32.415 32.500 -0.037 0.000 0.941 343 K HN 0.555 nan 8.250 nan 0.000 0.474 344 L N 5.394 126.568 121.223 -0.082 0.000 2.323 344 L HA 0.445 4.785 4.340 0.000 0.000 0.265 344 L C -1.988 174.779 176.870 -0.171 0.000 1.012 344 L CA -2.427 52.347 54.840 -0.111 0.000 0.820 344 L CB 1.839 43.870 42.059 -0.047 0.000 1.334 344 L HN 0.481 nan 8.230 nan 0.000 0.427 345 P HA -0.048 nan 4.420 nan 0.000 0.266 345 P C -0.384 176.807 177.300 -0.182 0.000 1.193 345 P CA -0.050 62.820 63.100 -0.384 0.000 0.770 345 P CB 0.457 31.720 31.700 -0.728 0.000 0.836 346 S N 2.101 117.763 115.700 -0.064 0.000 2.810 346 S HA 0.126 4.596 4.470 0.000 0.000 0.329 346 S C 1.543 176.206 174.600 0.107 0.000 1.231 346 S CA 0.946 59.155 58.200 0.016 0.000 1.042 346 S CB -1.301 61.905 63.200 0.010 0.000 0.756 346 S HN 0.955 nan 8.310 nan 0.000 0.504 347 G N 4.322 113.170 108.800 0.081 0.000 2.175 347 G HA2 -0.286 3.674 3.960 0.000 0.000 0.265 347 G HA3 -0.286 3.674 3.960 0.000 0.000 0.265 347 G C 0.630 175.596 174.900 0.109 0.000 0.979 347 G CA 0.882 46.030 45.100 0.080 0.000 0.663 347 G HN 0.907 nan 8.290 nan 0.000 0.533 348 H N -0.240 118.813 119.070 -0.029 0.000 2.384 348 H HA 0.074 4.630 4.556 0.000 0.000 0.300 348 H C 2.695 177.997 175.328 -0.044 0.000 1.057 348 H CA 1.154 57.185 56.048 -0.029 0.000 1.370 348 H CB 0.187 29.931 29.762 -0.031 0.000 1.417 348 H HN 0.476 nan 8.280 nan 0.000 0.527 349 S N 0.430 116.158 115.700 0.048 0.000 2.423 349 S HA -0.104 4.366 4.470 0.000 0.000 0.231 349 S C 1.400 175.965 174.600 -0.059 0.000 1.014 349 S CA 0.932 59.080 58.200 -0.087 0.000 0.965 349 S CB -0.025 63.071 63.200 -0.173 0.000 0.785 349 S HN 0.407 nan 8.310 nan 0.000 0.495 350 D N 1.104 121.501 120.400 -0.006 0.000 2.149 350 D HA 0.004 4.644 4.640 0.000 0.000 0.201 350 D C 1.828 178.143 176.300 0.024 0.000 0.972 350 D CA 0.438 54.444 54.000 0.011 0.000 0.835 350 D CB -0.272 40.533 40.800 0.008 0.000 0.966 350 D HN 0.246 nan 8.370 nan 0.000 0.476 351 L N 0.659 121.888 121.223 0.010 0.000 2.072 351 L HA -0.051 4.289 4.340 0.000 0.000 0.205 351 L C 2.072 178.976 176.870 0.057 0.000 1.079 351 L CA 1.056 55.899 54.840 0.005 0.000 0.752 351 L CB -0.598 41.424 42.059 -0.062 0.000 0.906 351 L HN -0.039 nan 8.230 nan 0.000 0.436 352 L N 0.059 121.322 121.223 0.068 0.000 1.989 352 L HA -0.254 4.086 4.340 0.000 0.000 0.211 352 L C 2.510 179.552 176.870 0.287 0.000 1.071 352 L CA 2.345 57.271 54.840 0.142 0.000 0.749 352 L CB -0.923 41.178 42.059 0.069 0.000 0.890 352 L HN 0.563 nan 8.230 nan 0.000 0.431 353 E N -0.838 119.542 120.200 0.299 0.000 2.118 353 E HA -0.238 4.112 4.350 0.000 0.000 0.195 353 E C 2.007 178.750 176.600 0.238 0.000 0.992 353 E CA 1.191 57.863 56.400 0.455 0.000 0.804 353 E CB -0.164 29.722 29.700 0.310 0.000 0.741 353 E HN 0.636 nan 8.360 nan 0.000 0.458 354 A N 1.159 124.062 122.820 0.137 0.000 1.897 354 A HA -0.102 4.218 4.320 0.000 0.000 0.215 354 A C 2.155 179.826 177.584 0.145 0.000 1.181 354 A CA 0.866 52.958 52.037 0.092 0.000 0.620 354 A CB -0.305 18.723 19.000 0.046 0.000 0.821 354 A HN 0.106 nan 8.150 nan 0.000 0.443 355 R N -0.153 120.450 120.500 0.171 0.000 2.083 355 R HA -0.115 4.225 4.340 0.000 0.000 0.237 355 R C 2.015 178.475 176.300 0.267 0.000 1.137 355 R CA 1.706 57.924 56.100 0.196 0.000 0.951 355 R CB -0.898 29.518 30.300 0.193 0.000 0.851 355 R HN 0.648 nan 8.270 nan 0.000 0.434 356 I N 0.373 121.158 120.570 0.358 0.000 2.179 356 I HA -0.264 3.906 4.170 0.000 0.000 0.242 356 I C 2.730 179.081 176.117 0.389 0.000 1.088 356 I CA 1.221 62.775 61.300 0.422 0.000 1.357 356 I CB -0.344 37.978 38.000 0.535 0.000 1.051 356 I HN 0.101 nan 8.210 nan 0.000 0.409 357 R N 0.850 121.598 120.500 0.413 0.000 2.117 357 R HA -0.138 4.202 4.340 0.000 0.000 0.243 357 R C 0.960 177.346 176.300 0.143 0.000 1.143 357 R CA 1.301 57.569 56.100 0.281 0.000 0.968 357 R CB -0.303 30.069 30.300 0.120 0.000 0.863 357 R HN 0.455 nan 8.270 nan 0.000 0.444 358 N N -0.140 118.639 118.700 0.131 0.000 2.273 358 N HA -0.004 4.736 4.740 0.000 0.000 0.231 358 N C 0.958 176.534 175.510 0.111 0.000 1.134 358 N CA 0.224 53.325 53.050 0.085 0.000 0.856 358 N CB 0.978 39.511 38.487 0.076 0.000 1.068 358 N HN 0.173 nan 8.380 nan 0.000 0.510 359 S N -0.519 115.267 115.700 0.144 0.000 2.423 359 S HA 0.044 4.514 4.470 0.000 0.000 0.231 359 S C 1.567 176.306 174.600 0.232 0.000 1.014 359 S CA 1.276 59.636 58.200 0.266 0.000 0.965 359 S CB 0.088 63.532 63.200 0.407 0.000 0.785 359 S HN 0.383 nan 8.310 nan 0.000 0.495 360 G N 0.555 109.245 108.800 -0.184 0.000 2.367 360 G HA2 -0.124 3.836 3.960 0.000 0.000 0.181 360 G HA3 -0.124 3.836 3.960 0.000 0.000 0.181 360 G C 0.040 174.209 174.900 -1.219 0.000 1.000 360 G CA -0.213 44.590 45.100 -0.496 0.000 0.693 360 G HN 0.603 nan 8.290 nan 0.000 0.480 361 I N 2.288 121.977 120.570 -1.467 0.000 2.872 361 I HA 0.410 4.580 4.170 0.000 0.000 0.291 361 I C 1.075 176.968 176.117 -0.373 0.000 1.216 361 I CA 0.280 60.926 61.300 -1.089 0.000 1.424 361 I CB 0.999 38.625 38.000 -0.624 0.000 1.351 361 I HN 0.196 nan 8.210 nan 0.000 0.592 362 S N 3.949 119.596 115.700 -0.089 0.000 2.562 362 S HA 0.025 4.495 4.470 0.000 0.000 0.281 362 S C 0.773 175.361 174.600 -0.020 0.000 1.333 362 S CA -0.382 57.824 58.200 0.011 0.000 1.052 362 S CB 0.800 64.093 63.200 0.155 0.000 0.884 362 S HN 0.737 nan 8.310 nan 0.000 0.506 363 D N 2.298 122.657 120.400 -0.068 0.000 2.190 363 D HA -0.155 4.485 4.640 0.000 0.000 0.200 363 D C 1.833 178.059 176.300 -0.125 0.000 0.992 363 D CA 1.789 55.748 54.000 -0.069 0.000 0.854 363 D CB -0.061 40.700 40.800 -0.064 0.000 0.936 363 D HN 0.889 nan 8.370 nan 0.000 0.462 364 E N -0.825 119.204 120.200 -0.284 0.000 2.358 364 E HA -0.158 4.192 4.350 0.000 0.000 0.195 364 E C 0.988 177.291 176.600 -0.495 0.000 1.010 364 E CA 0.689 56.828 56.400 -0.435 0.000 0.856 364 E CB -0.276 29.079 29.700 -0.575 0.000 0.795 364 E HN 0.359 nan 8.360 nan 0.000 0.504 365 Y N 0.781 121.068 120.300 -0.022 0.000 2.497 365 Y HA 0.143 4.693 4.550 0.000 0.000 0.265 365 Y C 2.062 177.999 175.900 0.061 0.000 1.111 365 Y CA -0.245 57.859 58.100 0.007 0.000 1.288 365 Y CB -0.243 38.219 38.460 0.003 0.000 1.082 365 Y HN 0.139 nan 8.280 nan 0.000 0.536 366 I N -1.642 119.022 120.570 0.158 0.000 2.099 366 I HA -0.230 3.940 4.170 0.000 0.000 0.239 366 I C 2.071 178.336 176.117 0.247 0.000 1.066 366 I CA 2.255 63.687 61.300 0.220 0.000 1.324 366 I CB -1.458 36.699 38.000 0.261 0.000 1.037 366 I HN -0.082 nan 8.210 nan 0.000 0.401 367 T N 1.644 116.293 114.554 0.159 0.000 2.652 367 T HA -0.056 4.294 4.350 0.000 0.000 0.267 367 T C -0.120 174.626 174.700 0.076 0.000 1.039 367 T CA 2.377 64.546 62.100 0.116 0.000 1.153 367 T CB -1.509 67.390 68.868 0.052 0.000 0.863 367 T HN 0.352 nan 8.240 nan 0.000 0.428 368 P HA -0.040 nan 4.420 nan 0.000 0.216 368 P C 1.733 178.957 177.300 -0.125 0.000 1.150 368 P CA 0.969 64.132 63.100 0.105 0.000 0.837 368 P CB -0.160 31.715 31.700 0.292 0.000 0.786 369 M N -1.779 117.731 119.600 -0.149 0.000 2.059 369 M HA -0.171 4.309 4.480 0.000 0.000 0.259 369 M C 1.708 177.368 176.300 -1.068 0.000 1.072 369 M CA 2.116 56.949 55.300 -0.779 0.000 1.117 369 M CB -0.501 31.851 32.600 -0.413 0.000 1.320 369 M HN -0.182 nan 8.290 nan 0.000 0.408 370 F N -0.344 119.297 119.950 -0.514 0.000 2.293 370 F HA -0.134 4.393 4.527 0.000 0.000 0.300 370 F C 2.956 178.602 175.800 -0.256 0.000 1.086 370 F CA 1.430 59.181 58.000 -0.415 0.000 1.375 370 F CB -0.971 37.911 39.000 -0.197 0.000 1.045 370 F HN 0.266 nan 8.300 nan 0.000 0.516 371 S N 0.040 115.715 115.700 -0.042 0.000 2.356 371 S HA -0.250 4.220 4.470 0.000 0.000 0.223 371 S C 2.124 176.695 174.600 -0.047 0.000 1.032 371 S CA 1.302 59.492 58.200 -0.017 0.000 1.005 371 S CB -0.691 62.509 63.200 0.000 0.000 0.867 371 S HN 0.335 nan 8.310 nan 0.000 0.449 372 F N 1.632 121.392 119.950 -0.317 0.000 2.069 372 F HA -0.094 4.433 4.527 0.000 0.000 0.298 372 F C 1.925 177.674 175.800 -0.086 0.000 1.113 372 F CA 1.673 59.496 58.000 -0.295 0.000 1.214 372 F CB -0.987 37.655 39.000 -0.597 0.000 0.978 372 F HN 0.264 nan 8.300 nan 0.000 0.474 373 Y N 0.909 120.987 120.300 -0.370 0.000 2.114 373 Y HA -0.231 4.319 4.550 0.000 0.000 0.282 373 Y C 2.485 178.302 175.900 -0.138 0.000 1.165 373 Y CA 1.496 59.394 58.100 -0.337 0.000 1.148 373 Y CB -1.488 36.708 38.460 -0.441 0.000 0.972 373 Y HN 0.126 nan 8.280 nan 0.000 0.504 374 K N 0.150 120.613 120.400 0.105 0.000 2.057 374 K HA -0.142 4.178 4.320 0.000 0.000 0.207 374 K C 2.260 178.887 176.600 0.046 0.000 1.049 374 K CA 1.810 58.174 56.287 0.129 0.000 0.931 374 K CB -0.303 32.275 32.500 0.131 0.000 0.714 374 K HN 0.361 nan 8.250 nan 0.000 0.440 375 S N 0.563 116.248 115.700 -0.025 0.000 2.453 375 S HA -0.038 4.432 4.470 0.000 0.000 0.231 375 S C 1.861 176.410 174.600 -0.086 0.000 1.005 375 S CA 0.583 58.759 58.200 -0.040 0.000 0.949 375 S CB -0.227 62.958 63.200 -0.026 0.000 0.774 375 S HN 0.066 nan 8.310 nan 0.000 0.510 376 I N 2.726 123.186 120.570 -0.183 0.000 2.233 376 I HA -0.004 4.166 4.170 0.000 0.000 0.243 376 I C 2.847 178.957 176.117 -0.012 0.000 1.093 376 I CA 1.349 62.550 61.300 -0.163 0.000 1.380 376 I CB -2.086 35.745 38.000 -0.282 0.000 1.067 376 I HN 0.458 nan 8.210 nan 0.000 0.413 377 G N 0.738 109.567 108.800 0.050 0.000 2.469 377 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 377 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 377 G C 1.553 176.495 174.900 0.070 0.000 1.136 377 G CA 0.635 45.794 45.100 0.098 0.000 0.759 377 G HN 0.444 nan 8.290 nan 0.000 0.562 378 E N -0.111 120.120 120.200 0.051 0.000 2.150 378 E HA 0.017 4.367 4.350 0.000 0.000 0.193 378 E C 2.405 179.040 176.600 0.058 0.000 0.985 378 E CA 0.281 56.709 56.400 0.048 0.000 0.814 378 E CB -0.159 29.564 29.700 0.038 0.000 0.752 378 E HN 0.387 nan 8.360 nan 0.000 0.466 379 L N 0.444 121.699 121.223 0.053 0.000 2.362 379 L HA -0.073 4.267 4.340 0.000 0.000 0.219 379 L C 0.421 177.379 176.870 0.148 0.000 1.134 379 L CA 0.297 55.201 54.840 0.107 0.000 0.807 379 L CB -0.123 41.938 42.059 0.003 0.000 0.927 379 L HN 0.009 nan 8.230 nan 0.000 0.447 380 K N 0.840 121.287 120.400 0.079 0.000 3.490 380 K HA -0.201 4.119 4.320 0.000 0.000 0.273 380 K C -0.174 176.459 176.600 0.055 0.000 0.916 380 K CA 0.664 56.990 56.287 0.065 0.000 0.718 380 K CB -1.073 31.450 32.500 0.039 0.000 1.477 380 K HN 0.227 nan 8.250 nan 0.000 0.452 381 M N 0.618 120.220 119.600 0.002 0.000 2.238 381 M HA 0.053 4.533 4.480 0.000 0.000 0.347 381 M C 1.213 177.506 176.300 -0.011 0.000 1.173 381 M CA 0.195 55.415 55.300 -0.134 0.000 1.147 381 M CB 0.744 32.928 32.600 -0.694 0.000 1.547 381 M HN 0.421 nan 8.290 nan 0.000 0.455 382 T N -0.972 113.582 114.554 -0.000 0.000 2.816 382 T HA 0.168 4.518 4.350 0.000 0.000 0.282 382 T C 0.938 175.734 174.700 0.161 0.000 0.993 382 T CA -0.757 61.386 62.100 0.073 0.000 0.994 382 T CB 0.797 69.683 68.868 0.030 0.000 1.025 382 T HN 0.819 nan 8.240 nan 0.000 0.529 383 Q N 0.293 120.205 119.800 0.186 0.000 2.181 383 Q HA -0.180 4.160 4.340 0.000 0.000 0.205 383 Q C 1.670 177.719 176.000 0.081 0.000 0.980 383 Q CA 1.681 57.607 55.803 0.204 0.000 0.862 383 Q CB -0.438 28.389 28.738 0.149 0.000 0.905 383 Q HN 0.792 nan 8.270 nan 0.000 0.429 384 E N 1.394 121.627 120.200 0.055 0.000 2.106 384 E HA -0.139 4.211 4.350 0.000 0.000 0.192 384 E C 1.769 178.368 176.600 -0.002 0.000 0.984 384 E CA 1.400 57.820 56.400 0.033 0.000 0.806 384 E CB 0.073 29.815 29.700 0.070 0.000 0.750 384 E HN 0.510 nan 8.360 nan 0.000 0.458 385 E N -0.547 119.646 120.200 -0.011 0.000 2.072 385 E HA -0.170 4.180 4.350 0.000 0.000 0.191 385 E C 1.695 178.212 176.600 -0.139 0.000 0.985 385 E CA 0.853 57.214 56.400 -0.065 0.000 0.801 385 E CB -0.158 29.489 29.700 -0.090 0.000 0.750 385 E HN 0.324 nan 8.360 nan 0.000 0.452 386 Y N 0.704 120.935 120.300 -0.114 0.000 2.224 386 Y HA -0.201 4.349 4.550 0.000 0.000 0.289 386 Y C 2.364 177.987 175.900 -0.462 0.000 1.146 386 Y CA 1.160 59.142 58.100 -0.197 0.000 1.182 386 Y CB -0.498 37.873 38.460 -0.147 0.000 0.983 386 Y HN 0.056 nan 8.280 nan 0.000 0.524 387 A N -0.133 122.362 122.820 -0.541 0.000 1.873 387 A HA -0.127 4.193 4.320 0.000 0.000 0.215 387 A C 2.249 179.735 177.584 -0.164 0.000 1.186 387 A CA 1.519 53.077 52.037 -0.798 0.000 0.616 387 A CB -1.058 17.633 19.000 -0.515 0.000 0.823 387 A HN 0.438 nan 8.150 nan 0.000 0.442 388 L N -0.725 120.472 121.223 -0.043 0.000 2.027 388 L HA -0.152 4.188 4.340 0.000 0.000 0.206 388 L C 2.612 179.524 176.870 0.070 0.000 1.074 388 L CA 0.985 55.861 54.840 0.061 0.000 0.745 388 L CB -0.523 41.574 42.059 0.065 0.000 0.898 388 L HN 0.365 nan 8.230 nan 0.000 0.433 389 L N -0.642 120.596 121.223 0.025 0.000 2.042 389 L HA -0.246 4.094 4.340 0.000 0.000 0.210 389 L C 2.647 179.569 176.870 0.086 0.000 1.076 389 L CA 1.711 56.577 54.840 0.043 0.000 0.749 389 L CB -0.666 41.400 42.059 0.011 0.000 0.893 389 L HN 0.324 nan 8.230 nan 0.000 0.432 390 T N -0.408 114.200 114.554 0.090 0.000 2.746 390 T HA -0.185 4.165 4.350 0.000 0.000 0.267 390 T C 1.923 176.752 174.700 0.216 0.000 1.039 390 T CA 1.260 63.441 62.100 0.135 0.000 1.142 390 T CB -0.260 68.661 68.868 0.090 0.000 0.866 390 T HN 0.474 nan 8.240 nan 0.000 0.444 391 A N 1.020 124.012 122.820 0.286 0.000 1.902 391 A HA 0.006 4.326 4.320 0.000 0.000 0.217 391 A C 2.270 179.956 177.584 0.169 0.000 1.181 391 A CA 1.158 53.376 52.037 0.302 0.000 0.623 391 A CB -0.734 18.426 19.000 0.267 0.000 0.818 391 A HN 0.511 nan 8.150 nan 0.000 0.443 392 I N -0.486 120.163 120.570 0.133 0.000 2.315 392 I HA -0.194 3.976 4.170 0.000 0.000 0.248 392 I C 2.317 178.486 176.117 0.088 0.000 1.117 392 I CA 0.901 62.260 61.300 0.099 0.000 1.404 392 I CB -0.232 37.817 38.000 0.082 0.000 1.071 392 I HN 0.146 nan 8.210 nan 0.000 0.419 393 V N 1.129 121.099 119.914 0.093 0.000 2.295 393 V HA -0.289 3.831 4.120 0.000 0.000 0.246 393 V C 2.297 178.442 176.094 0.084 0.000 1.049 393 V CA 2.015 64.363 62.300 0.081 0.000 1.024 393 V CB -0.467 31.411 31.823 0.092 0.000 0.648 393 V HN 0.334 nan 8.190 nan 0.000 0.447 394 I N -0.417 120.217 120.570 0.108 0.000 2.252 394 I HA -0.178 3.992 4.170 0.000 0.000 0.245 394 I C 1.418 177.601 176.117 0.109 0.000 1.102 394 I CA 1.462 62.819 61.300 0.096 0.000 1.385 394 I CB -0.176 37.873 38.000 0.083 0.000 1.064 394 I HN 0.206 nan 8.210 nan 0.000 0.414 395 L N 0.998 122.289 121.223 0.113 0.000 2.968 395 L HA 0.152 4.492 4.340 0.000 0.000 0.235 395 L C 0.205 177.131 176.870 0.095 0.000 1.323 395 L CA -0.202 54.713 54.840 0.125 0.000 1.159 395 L CB -0.529 41.605 42.059 0.125 0.000 1.523 395 L HN 0.028 nan 8.230 nan 0.000 0.468 396 S N 1.756 117.505 115.700 0.082 0.000 2.405 396 S HA 0.187 4.657 4.470 0.000 0.000 0.291 396 S C -1.443 173.189 174.600 0.053 0.000 1.137 396 S CA -0.937 57.297 58.200 0.057 0.000 1.061 396 S CB 0.909 64.134 63.200 0.042 0.000 1.001 396 S HN 0.166 nan 8.310 nan 0.000 0.507 397 P HA 0.052 nan 4.420 nan 0.000 0.242 397 P C 0.131 177.445 177.300 0.023 0.000 1.197 397 P CA 0.495 63.617 63.100 0.037 0.000 0.765 397 P CB 0.164 31.883 31.700 0.032 0.000 0.936 398 D N -0.942 119.468 120.400 0.017 0.000 2.333 398 D HA -0.001 4.639 4.640 0.000 0.000 0.208 398 D C 0.818 177.112 176.300 -0.010 0.000 0.984 398 D CA 0.355 54.356 54.000 0.002 0.000 0.873 398 D CB -0.102 40.698 40.800 -0.000 0.000 0.935 398 D HN 0.011 nan 8.370 nan 0.000 0.521 399 R N 1.190 121.690 120.500 0.000 0.000 2.697 399 R HA 0.027 4.367 4.340 0.000 0.000 0.265 399 R C 0.586 176.854 176.300 -0.054 0.000 1.009 399 R CA 0.140 56.231 56.100 -0.016 0.000 1.099 399 R CB 0.011 30.325 30.300 0.022 0.000 0.965 399 R HN 0.276 nan 8.270 nan 0.000 0.428 400 Q N 0.786 120.497 119.800 -0.150 0.000 2.373 400 Q HA 0.012 4.352 4.340 0.000 0.000 0.255 400 Q C -0.514 175.328 176.000 -0.264 0.000 0.980 400 Q CA 0.079 55.687 55.803 -0.326 0.000 0.882 400 Q CB 0.324 28.692 28.738 -0.615 0.000 1.249 400 Q HN 0.502 nan 8.270 nan 0.000 0.438 401 Y N -0.885 119.422 120.300 0.011 0.000 4.928 401 Y HA -0.247 4.303 4.550 0.000 0.000 0.272 401 Y C -0.379 175.528 175.900 0.012 0.000 0.889 401 Y CA 0.019 58.126 58.100 0.011 0.000 1.783 401 Y CB -2.141 36.328 38.460 0.014 0.000 1.218 401 Y HN 0.532 nan 8.280 nan 0.000 0.500 402 I N 1.813 122.455 120.570 0.120 0.000 2.396 402 I HA 0.035 4.205 4.170 0.000 0.000 0.289 402 I C 1.426 177.579 176.117 0.060 0.000 1.056 402 I CA -0.058 61.290 61.300 0.079 0.000 1.365 402 I CB 0.944 38.975 38.000 0.052 0.000 1.407 402 I HN -0.018 nan 8.210 nan 0.000 0.509 403 K N 3.132 123.562 120.400 0.049 0.000 2.186 403 K HA 0.028 4.348 4.320 0.000 0.000 0.202 403 K C 0.171 176.782 176.600 0.019 0.000 1.052 403 K CA 0.912 57.220 56.287 0.034 0.000 0.965 403 K CB 0.036 32.553 32.500 0.028 0.000 0.746 403 K HN 0.488 nan 8.250 nan 0.000 0.457 404 D N 0.854 121.262 120.400 0.012 0.000 2.412 404 D HA 0.130 4.770 4.640 0.000 0.000 0.276 404 D C 0.788 177.092 176.300 0.007 0.000 1.196 404 D CA -0.143 53.859 54.000 0.005 0.000 0.905 404 D CB 0.561 41.358 40.800 -0.006 0.000 1.081 404 D HN -0.202 nan 8.370 nan 0.000 0.502 405 R N 1.702 122.209 120.500 0.012 0.000 2.094 405 R HA -0.142 4.198 4.340 0.000 0.000 0.239 405 R C 1.447 177.756 176.300 0.014 0.000 1.137 405 R CA 1.148 57.258 56.100 0.015 0.000 0.943 405 R CB -0.299 30.009 30.300 0.014 0.000 0.850 405 R HN 0.565 nan 8.270 nan 0.000 0.433 406 E N 0.822 121.027 120.200 0.010 0.000 2.097 406 E HA -0.188 4.162 4.350 0.000 0.000 0.196 406 E C 2.026 178.631 176.600 0.007 0.000 1.000 406 E CA 1.442 57.847 56.400 0.009 0.000 0.804 406 E CB -0.230 29.473 29.700 0.005 0.000 0.740 406 E HN 0.376 nan 8.360 nan 0.000 0.454 407 A N 1.218 124.038 122.820 0.000 0.000 1.933 407 A HA -0.127 4.193 4.320 0.000 0.000 0.218 407 A C 2.561 180.148 177.584 0.004 0.000 1.175 407 A CA 1.267 53.301 52.037 -0.006 0.000 0.628 407 A CB -0.557 18.429 19.000 -0.023 0.000 0.814 407 A HN 0.118 nan 8.150 nan 0.000 0.444 408 V N 0.030 119.952 119.914 0.014 0.000 2.307 408 V HA -0.257 3.863 4.120 0.000 0.000 0.245 408 V C 2.320 178.439 176.094 0.043 0.000 1.045 408 V CA 2.147 64.469 62.300 0.037 0.000 1.024 408 V CB -1.089 30.762 31.823 0.047 0.000 0.651 408 V HN 0.632 nan 8.190 nan 0.000 0.449 409 E N 0.509 120.729 120.200 0.033 0.000 2.086 409 E HA -0.306 4.044 4.350 0.000 0.000 0.200 409 E C 2.237 178.857 176.600 0.033 0.000 1.012 409 E CA 1.705 58.125 56.400 0.034 0.000 0.812 409 E CB -0.291 29.424 29.700 0.026 0.000 0.743 409 E HN 0.569 nan 8.360 nan 0.000 0.453 410 K N 0.409 120.824 120.400 0.024 0.000 2.160 410 K HA -0.155 4.165 4.320 0.000 0.000 0.206 410 K C 2.075 178.691 176.600 0.028 0.000 1.047 410 K CA 1.108 57.407 56.287 0.020 0.000 0.930 410 K CB -0.099 32.407 32.500 0.010 0.000 0.720 410 K HN 0.158 nan 8.250 nan 0.000 0.450 411 L N 0.148 121.394 121.223 0.039 0.000 2.270 411 L HA -0.063 4.277 4.340 0.000 0.000 0.210 411 L C 2.639 179.547 176.870 0.063 0.000 1.104 411 L CA 0.736 55.608 54.840 0.053 0.000 0.804 411 L CB -0.268 41.836 42.059 0.075 0.000 0.937 411 L HN 0.249 nan 8.230 nan 0.000 0.450 412 Q N 0.402 120.241 119.800 0.065 0.000 2.137 412 Q HA -0.145 4.195 4.340 0.000 0.000 0.198 412 Q C 1.905 177.946 176.000 0.068 0.000 0.960 412 Q CA 0.867 56.713 55.803 0.072 0.000 0.847 412 Q CB 0.267 29.048 28.738 0.072 0.000 0.915 412 Q HN 0.492 nan 8.270 nan 0.000 0.448 413 E N 0.458 120.691 120.200 0.056 0.000 2.049 413 E HA -0.205 4.145 4.350 0.000 0.000 0.198 413 E C -0.727 175.901 176.600 0.045 0.000 1.007 413 E CA 1.581 58.012 56.400 0.051 0.000 0.809 413 E CB -1.161 28.560 29.700 0.035 0.000 0.749 413 E HN 0.458 nan 8.360 nan 0.000 0.450 414 P HA -0.149 nan 4.420 nan 0.000 0.216 414 P C 1.605 178.928 177.300 0.039 0.000 1.150 414 P CA 1.156 64.272 63.100 0.027 0.000 0.837 414 P CB -0.120 31.593 31.700 0.022 0.000 0.786 415 L N -1.771 119.488 121.223 0.060 0.000 2.056 415 L HA -0.137 4.203 4.340 0.000 0.000 0.207 415 L C 2.516 179.443 176.870 0.096 0.000 1.078 415 L CA 1.188 56.075 54.840 0.078 0.000 0.749 415 L CB -1.023 41.091 42.059 0.092 0.000 0.901 415 L HN -0.068 nan 8.230 nan 0.000 0.433 416 L N -0.453 120.838 121.223 0.114 0.000 2.046 416 L HA -0.223 4.117 4.340 0.000 0.000 0.208 416 L C 2.267 179.196 176.870 0.097 0.000 1.077 416 L CA 1.111 56.064 54.840 0.188 0.000 0.747 416 L CB -0.574 41.617 42.059 0.219 0.000 0.896 416 L HN 0.284 nan 8.230 nan 0.000 0.432 417 D N -0.524 119.886 120.400 0.016 0.000 2.144 417 D HA -0.135 4.505 4.640 0.000 0.000 0.200 417 D C 2.339 178.588 176.300 -0.086 0.000 0.978 417 D CA 1.066 55.025 54.000 -0.069 0.000 0.833 417 D CB -0.049 40.727 40.800 -0.041 0.000 0.961 417 D HN 0.107 nan 8.370 nan 0.000 0.470 418 V N 1.148 121.046 119.914 -0.027 0.000 2.358 418 V HA -0.200 3.920 4.120 0.000 0.000 0.246 418 V C 2.445 178.532 176.094 -0.012 0.000 1.047 418 V CA 0.974 63.264 62.300 -0.016 0.000 1.035 418 V CB -0.338 31.495 31.823 0.017 0.000 0.658 418 V HN 0.130 nan 8.190 nan 0.000 0.452 419 L N 0.040 121.280 121.223 0.028 0.000 2.056 419 L HA -0.190 4.150 4.340 0.000 0.000 0.207 419 L C 2.494 179.351 176.870 -0.022 0.000 1.078 419 L CA 2.315 57.208 54.840 0.088 0.000 0.749 419 L CB -0.827 41.367 42.059 0.225 0.000 0.901 419 L HN 0.449 nan 8.230 nan 0.000 0.433 420 Q N -0.855 118.726 119.800 -0.364 0.000 2.050 420 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 420 Q C 2.184 177.964 176.000 -0.367 0.000 0.980 420 Q CA 1.647 56.927 55.803 -0.872 0.000 0.840 420 Q CB -0.053 27.919 28.738 -1.276 0.000 0.898 420 Q HN 0.388 nan 8.270 nan 0.000 0.424 421 K N 0.394 120.654 120.400 -0.233 0.000 2.009 421 K HA -0.152 4.168 4.320 0.000 0.000 0.210 421 K C 2.224 178.748 176.600 -0.126 0.000 1.049 421 K CA 1.287 57.481 56.287 -0.156 0.000 0.929 421 K CB -0.446 31.985 32.500 -0.115 0.000 0.714 421 K HN 0.349 nan 8.250 nan 0.000 0.440 422 L N 0.666 121.853 121.223 -0.061 0.000 2.043 422 L HA -0.307 4.033 4.340 0.000 0.000 0.212 422 L C 2.759 179.655 176.870 0.044 0.000 1.075 422 L CA 1.361 56.213 54.840 0.020 0.000 0.752 422 L CB -0.675 41.453 42.059 0.115 0.000 0.891 422 L HN 0.297 nan 8.230 nan 0.000 0.432 423 C N -0.314 119.027 119.300 0.069 0.000 2.429 423 C HA -0.150 4.310 4.460 0.000 0.000 0.277 423 C C 2.761 177.776 174.990 0.042 0.000 1.262 423 C CA 0.688 59.796 59.018 0.151 0.000 1.733 423 C CB -0.715 27.197 27.740 0.287 0.000 2.010 423 C HN 0.458 nan 8.230 nan 0.000 0.483 424 K N 0.825 121.199 120.400 -0.043 0.000 2.007 424 K HA 0.005 4.325 4.320 0.000 0.000 0.206 424 K C 1.801 178.334 176.600 -0.112 0.000 1.047 424 K CA 1.191 57.438 56.287 -0.067 0.000 0.937 424 K CB -0.264 32.182 32.500 -0.091 0.000 0.718 424 K HN 0.420 nan 8.250 nan 0.000 0.438 425 I N 1.053 121.498 120.570 -0.209 0.000 2.151 425 I HA -0.322 3.848 4.170 0.000 0.000 0.243 425 I C 2.158 178.045 176.117 -0.384 0.000 1.080 425 I CA 1.415 62.498 61.300 -0.362 0.000 1.339 425 I CB -0.308 37.355 38.000 -0.562 0.000 1.039 425 I HN 0.321 nan 8.210 nan 0.000 0.409 426 H N -1.047 118.010 119.070 -0.020 0.000 2.582 426 H HA 0.170 4.727 4.556 0.000 0.000 0.269 426 H C 0.895 176.188 175.328 -0.059 0.000 0.962 426 H CA 0.352 56.381 56.048 -0.032 0.000 1.230 426 H CB 0.309 30.055 29.762 -0.027 0.000 1.445 426 H HN 0.376 nan 8.280 nan 0.000 0.528 427 Q N 1.574 121.381 119.800 0.010 0.000 2.656 427 Q HA 0.158 4.498 4.340 0.000 0.000 0.389 427 Q C -2.016 173.968 176.000 -0.027 0.000 0.883 427 Q CA -1.704 54.065 55.803 -0.056 0.000 1.056 427 Q CB 1.091 29.701 28.738 -0.214 0.000 1.391 427 Q HN 0.121 nan 8.270 nan 0.000 0.399 428 P HA -0.150 nan 4.420 nan 0.000 0.233 428 P C 0.780 178.080 177.300 0.001 0.000 1.167 428 P CA 0.822 63.917 63.100 -0.009 0.000 0.770 428 P CB 0.361 32.051 31.700 -0.016 0.000 0.837 429 E N 0.208 120.406 120.200 -0.003 0.000 2.274 429 E HA -0.088 4.262 4.350 0.000 0.000 0.194 429 E C -0.075 176.533 176.600 0.012 0.000 0.996 429 E CA 0.777 57.179 56.400 0.003 0.000 0.840 429 E CB -0.766 28.933 29.700 -0.002 0.000 0.772 429 E HN 0.176 nan 8.360 nan 0.000 0.491 430 N N 2.837 121.547 118.700 0.017 0.000 2.816 430 N HA 0.168 4.908 4.740 0.000 0.000 0.236 430 N C -2.018 173.541 175.510 0.081 0.000 1.076 430 N CA -1.573 51.506 53.050 0.049 0.000 0.902 430 N CB 1.495 40.013 38.487 0.052 0.000 1.149 430 N HN 0.116 nan 8.380 nan 0.000 0.506 431 P HA -0.046 nan 4.420 nan 0.000 0.237 431 P C 0.472 177.835 177.300 0.104 0.000 1.178 431 P CA 0.930 64.073 63.100 0.073 0.000 0.766 431 P CB 0.726 32.455 31.700 0.048 0.000 0.876 432 Q N -1.699 118.167 119.800 0.111 0.000 2.282 432 Q HA 0.004 4.344 4.340 0.000 0.000 0.206 432 Q C 1.744 177.818 176.000 0.124 0.000 0.878 432 Q CA 0.178 56.043 55.803 0.104 0.000 0.944 432 Q CB -0.762 28.015 28.738 0.065 0.000 1.100 432 Q HN 0.427 nan 8.270 nan 0.000 0.509 433 H N 0.496 119.607 119.070 0.068 0.000 2.321 433 H HA -0.191 4.365 4.556 0.000 0.000 0.295 433 H C 1.585 176.972 175.328 0.098 0.000 1.102 433 H CA 2.037 58.123 56.048 0.064 0.000 1.266 433 H CB -0.185 29.616 29.762 0.065 0.000 1.363 433 H HN 0.207 nan 8.280 nan 0.000 0.492 434 F N 0.685 120.632 119.950 -0.006 0.000 2.046 434 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 434 F C 2.583 178.339 175.800 -0.074 0.000 1.123 434 F CA 1.835 59.801 58.000 -0.057 0.000 1.199 434 F CB -1.135 37.867 39.000 0.003 0.000 0.972 434 F HN 0.264 nan 8.300 nan 0.000 0.474 435 A N -0.872 121.872 122.820 -0.127 0.000 1.933 435 A HA -0.243 4.077 4.320 0.000 0.000 0.218 435 A C 2.440 179.905 177.584 -0.198 0.000 1.175 435 A CA 1.642 53.552 52.037 -0.213 0.000 0.628 435 A CB -1.787 17.183 19.000 -0.050 0.000 0.814 435 A HN 0.649 nan 8.150 nan 0.000 0.444 436 C N -0.566 118.650 119.300 -0.140 0.000 2.425 436 C HA -0.031 4.429 4.460 0.000 0.000 0.277 436 C C 2.634 177.514 174.990 -0.184 0.000 1.280 436 C CA 1.064 60.005 59.018 -0.128 0.000 1.744 436 C CB -1.515 26.177 27.740 -0.080 0.000 1.989 436 C HN 0.606 nan 8.230 nan 0.000 0.491 437 L N 0.223 121.273 121.223 -0.289 0.000 2.017 437 L HA -0.157 4.183 4.340 0.000 0.000 0.208 437 L C 2.561 179.301 176.870 -0.217 0.000 1.073 437 L CA 1.604 56.276 54.840 -0.280 0.000 0.745 437 L CB -0.709 41.152 42.059 -0.331 0.000 0.894 437 L HN 0.395 nan 8.230 nan 0.000 0.432 438 L N -0.679 120.358 121.223 -0.311 0.000 2.141 438 L HA -0.081 4.259 4.340 0.000 0.000 0.209 438 L C 2.639 179.419 176.870 -0.150 0.000 1.094 438 L CA 1.111 55.794 54.840 -0.262 0.000 0.763 438 L CB -1.126 40.687 42.059 -0.409 0.000 0.908 438 L HN 0.302 nan 8.230 nan 0.000 0.437 439 G N -0.234 108.485 108.800 -0.136 0.000 2.422 439 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 439 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 439 G C 1.717 176.601 174.900 -0.026 0.000 1.140 439 G CA 0.084 45.141 45.100 -0.072 0.000 0.775 439 G HN 0.130 nan 8.290 nan 0.000 0.545 440 R N 0.210 120.702 120.500 -0.014 0.000 2.115 440 R HA 0.129 4.469 4.340 0.000 0.000 0.230 440 R C 2.526 178.902 176.300 0.126 0.000 1.111 440 R CA 0.291 56.443 56.100 0.087 0.000 0.976 440 R CB -0.926 29.427 30.300 0.087 0.000 0.870 440 R HN 0.395 nan 8.270 nan 0.000 0.445 441 L N 0.278 121.527 121.223 0.043 0.000 2.131 441 L HA -0.168 4.172 4.340 0.000 0.000 0.210 441 L C 2.043 178.900 176.870 -0.022 0.000 1.092 441 L CA 1.510 56.362 54.840 0.021 0.000 0.759 441 L CB -0.714 41.342 42.059 -0.005 0.000 0.903 441 L HN 0.196 nan 8.230 nan 0.000 0.435 442 T N -1.104 113.435 114.554 -0.026 0.000 2.737 442 T HA -0.241 4.109 4.350 0.000 0.000 0.265 442 T C 1.749 176.412 174.700 -0.062 0.000 1.038 442 T CA 1.480 63.556 62.100 -0.041 0.000 1.144 442 T CB -0.134 68.718 68.868 -0.027 0.000 0.866 442 T HN 0.383 nan 8.240 nan 0.000 0.434 443 E N 0.508 120.689 120.200 -0.032 0.000 2.085 443 E HA -0.159 4.191 4.350 0.000 0.000 0.194 443 E C 2.156 178.626 176.600 -0.217 0.000 0.994 443 E CA 0.808 57.180 56.400 -0.047 0.000 0.801 443 E CB -0.185 29.563 29.700 0.080 0.000 0.743 443 E HN 0.229 nan 8.360 nan 0.000 0.453 444 L N 1.593 122.639 121.223 -0.295 0.000 2.012 444 L HA -0.195 4.146 4.340 0.000 0.000 0.210 444 L C 2.304 179.002 176.870 -0.287 0.000 1.073 444 L CA 1.790 56.334 54.840 -0.493 0.000 0.748 444 L CB -0.545 41.348 42.059 -0.278 0.000 0.891 444 L HN 0.069 nan 8.230 nan 0.000 0.431 445 R N -1.242 119.133 120.500 -0.207 0.000 2.096 445 R HA -0.176 4.164 4.340 0.000 0.000 0.240 445 R C 2.058 178.069 176.300 -0.481 0.000 1.139 445 R CA 2.080 58.041 56.100 -0.231 0.000 0.952 445 R CB -1.063 29.151 30.300 -0.143 0.000 0.854 445 R HN 0.436 nan 8.270 nan 0.000 0.436 446 T N 1.085 115.359 114.554 -0.465 0.000 2.684 446 T HA -0.185 4.165 4.350 0.000 0.000 0.267 446 T C 1.461 175.877 174.700 -0.472 0.000 1.036 446 T CA 1.405 63.139 62.100 -0.610 0.000 1.148 446 T CB -0.397 68.355 68.868 -0.193 0.000 0.863 446 T HN 0.144 nan 8.240 nan 0.000 0.436 447 F N 2.841 122.526 119.950 -0.442 0.000 2.161 447 F HA -0.132 4.395 4.527 0.000 0.000 0.300 447 F C 2.039 177.619 175.800 -0.367 0.000 1.089 447 F CA 1.316 59.062 58.000 -0.424 0.000 1.282 447 F CB -0.534 38.075 39.000 -0.651 0.000 1.010 447 F HN 0.211 nan 8.300 nan 0.000 0.485 448 N N -1.310 117.181 118.700 -0.348 0.000 2.550 448 N HA -0.176 4.564 4.740 0.000 0.000 0.186 448 N C 1.587 177.073 175.510 -0.041 0.000 1.110 448 N CA 0.862 53.816 53.050 -0.159 0.000 0.912 448 N CB -0.368 38.069 38.487 -0.083 0.000 0.968 448 N HN 0.213 nan 8.380 nan 0.000 0.448 449 H N -0.332 118.597 119.070 -0.235 0.000 2.389 449 H HA -0.012 4.544 4.556 0.000 0.000 0.299 449 H C 0.749 175.718 175.328 -0.599 0.000 1.081 449 H CA 1.191 57.005 56.048 -0.390 0.000 1.345 449 H CB -0.209 29.282 29.762 -0.452 0.000 1.393 449 H HN 0.515 nan 8.280 nan 0.000 0.520 450 H N 0.381 119.358 119.070 -0.156 0.000 2.505 450 H HA 0.017 4.573 4.556 0.000 0.000 0.289 450 H C 1.862 176.994 175.328 -0.326 0.000 1.052 450 H CA 0.168 56.077 56.048 -0.233 0.000 1.156 450 H CB 0.069 29.750 29.762 -0.135 0.000 1.507 450 H HN 0.690 nan 8.280 nan 0.000 0.548 451 H N -0.177 118.820 119.070 -0.123 0.000 2.353 451 H HA -0.109 4.447 4.556 0.000 0.000 0.298 451 H C 1.891 177.352 175.328 0.222 0.000 1.103 451 H CA 1.297 57.375 56.048 0.050 0.000 1.293 451 H CB -0.144 29.582 29.762 -0.060 0.000 1.372 451 H HN 0.249 nan 8.280 nan 0.000 0.501 452 A N 1.469 124.231 122.820 -0.096 0.000 1.873 452 A HA -0.178 4.142 4.320 0.000 0.000 0.215 452 A C 2.303 179.909 177.584 0.036 0.000 1.186 452 A CA 1.672 53.725 52.037 0.028 0.000 0.616 452 A CB -0.403 18.523 19.000 -0.123 0.000 0.823 452 A HN 0.514 nan 8.150 nan 0.000 0.442 453 E N -0.258 119.925 120.200 -0.028 0.000 2.110 453 E HA -0.128 4.222 4.350 0.000 0.000 0.193 453 E C 2.005 178.565 176.600 -0.068 0.000 0.988 453 E CA 1.430 57.830 56.400 -0.001 0.000 0.804 453 E CB -0.382 29.372 29.700 0.090 0.000 0.745 453 E HN 0.651 nan 8.360 nan 0.000 0.458 454 M N -0.107 119.328 119.600 -0.276 0.000 2.149 454 M HA -0.153 4.327 4.480 0.000 0.000 0.261 454 M C 1.907 178.391 176.300 0.307 0.000 1.064 454 M CA 1.308 56.479 55.300 -0.215 0.000 1.102 454 M CB -0.182 32.328 32.600 -0.151 0.000 1.369 454 M HN 0.131 nan 8.290 nan 0.000 0.408 455 L N -1.049 120.368 121.223 0.324 0.000 2.102 455 L HA -0.098 4.242 4.340 0.000 0.000 0.202 455 L C 2.501 179.674 176.870 0.504 0.000 1.076 455 L CA 0.431 55.569 54.840 0.496 0.000 0.761 455 L CB -0.468 41.779 42.059 0.314 0.000 0.921 455 L HN 0.294 nan 8.230 nan 0.000 0.444 456 M N 0.063 119.794 119.600 0.219 0.000 2.213 456 M HA -0.114 4.366 4.480 0.000 0.000 0.263 456 M C 2.375 178.598 176.300 -0.130 0.000 1.062 456 M CA 1.588 56.829 55.300 -0.099 0.000 1.105 456 M CB -1.297 31.265 32.600 -0.062 0.000 1.385 456 M HN 0.328 nan 8.290 nan 0.000 0.417 457 S N -2.067 113.722 115.700 0.148 0.000 2.593 457 S HA -0.023 4.447 4.470 0.000 0.000 0.217 457 S C 0.528 175.302 174.600 0.291 0.000 0.966 457 S CA -0.586 57.734 58.200 0.201 0.000 0.914 457 S CB -0.489 62.859 63.200 0.247 0.000 0.776 457 S HN 0.482 nan 8.310 nan 0.000 0.523 458 W N 3.599 125.042 121.300 0.238 0.000 2.385 458 W HA 0.122 4.782 4.660 0.000 0.000 0.336 458 W C -0.179 176.412 176.519 0.120 0.000 1.351 458 W CA -0.074 57.392 57.345 0.203 0.000 1.295 458 W CB 0.125 29.705 29.460 0.201 0.000 1.239 458 W HN 0.228 nan 8.180 nan 0.000 0.565 459 R N 4.178 124.728 120.500 0.083 0.000 3.206 459 R HA 0.113 4.453 4.340 0.000 0.000 0.209 459 R C -0.175 176.169 176.300 0.073 0.000 1.632 459 R CA -0.027 56.112 56.100 0.065 0.000 1.234 459 R CB -0.538 29.760 30.300 -0.003 0.000 1.270 459 R HN 0.219 nan 8.270 nan 0.000 0.665 460 V N -1.842 118.051 119.914 -0.034 0.000 3.007 460 V HA 0.364 4.484 4.120 0.000 0.000 0.311 460 V C 0.340 176.273 176.094 -0.268 0.000 1.120 460 V CA -1.194 60.979 62.300 -0.211 0.000 0.980 460 V CB 2.518 34.074 31.823 -0.445 0.000 1.033 460 V HN 0.281 nan 8.190 nan 0.000 0.429 461 N N 0.934 119.513 118.700 -0.201 0.000 2.457 461 N HA 0.087 4.827 4.740 0.000 0.000 0.180 461 N C -0.236 175.170 175.510 -0.174 0.000 1.050 461 N CA 0.941 53.915 53.050 -0.127 0.000 0.906 461 N CB 0.091 38.533 38.487 -0.074 0.000 0.968 461 N HN 0.958 nan 8.380 nan 0.000 0.445 462 D N -0.558 119.630 120.400 -0.354 0.000 2.964 462 D HA 0.170 4.810 4.640 0.000 0.000 0.234 462 D C -1.278 174.624 176.300 -0.663 0.000 1.223 462 D CA -0.444 53.363 54.000 -0.322 0.000 0.889 462 D CB 0.985 41.679 40.800 -0.177 0.000 1.609 462 D HN 0.014 nan 8.370 nan 0.000 0.523 463 H N 3.132 121.987 119.070 -0.359 0.000 2.486 463 H HA 0.218 4.774 4.556 0.000 0.000 0.239 463 H C -0.326 174.646 175.328 -0.595 0.000 1.480 463 H CA -0.493 55.188 56.048 -0.612 0.000 1.324 463 H CB 0.759 30.284 29.762 -0.394 0.000 1.486 463 H HN 0.162 nan 8.280 nan 0.000 0.544 464 K N 2.731 122.949 120.400 -0.302 0.000 2.297 464 K HA 0.260 4.580 4.320 0.000 0.000 0.286 464 K C -1.110 175.220 176.600 -0.451 0.000 1.053 464 K CA -0.296 55.836 56.287 -0.257 0.000 0.940 464 K CB 0.459 32.894 32.500 -0.108 0.000 1.019 464 K HN 0.090 nan 8.250 nan 0.000 0.475 465 F N 1.066 121.059 119.950 0.072 0.000 2.538 465 F HA 0.241 4.768 4.527 0.000 0.000 0.325 465 F C 0.707 176.488 175.800 -0.032 0.000 1.066 465 F CA -0.861 57.129 58.000 -0.016 0.000 0.946 465 F CB 1.723 40.729 39.000 0.010 0.000 1.199 465 F HN 0.486 nan 8.300 nan 0.000 0.473 466 T N -1.111 113.526 114.554 0.138 0.000 2.899 466 T HA 0.240 4.590 4.350 0.000 0.000 0.295 466 T C -2.063 172.689 174.700 0.087 0.000 1.033 466 T CA -1.587 60.552 62.100 0.065 0.000 1.084 466 T CB 1.302 70.177 68.868 0.012 0.000 0.979 466 T HN 0.297 nan 8.240 nan 0.000 0.532 467 P HA -0.078 nan 4.420 nan 0.000 0.217 467 P C 1.512 178.847 177.300 0.058 0.000 1.148 467 P CA 0.288 63.424 63.100 0.061 0.000 0.828 467 P CB -0.009 31.717 31.700 0.043 0.000 0.783 468 L N 0.059 121.312 121.223 0.051 0.000 1.988 468 L HA -0.095 4.245 4.340 0.000 0.000 0.207 468 L C 1.977 178.896 176.870 0.082 0.000 1.071 468 L CA 1.782 56.655 54.840 0.055 0.000 0.744 468 L CB -1.686 40.398 42.059 0.041 0.000 0.893 468 L HN -0.095 nan 8.230 nan 0.000 0.433 469 L N -2.840 118.433 121.223 0.083 0.000 2.456 469 L HA -0.034 4.306 4.340 0.000 0.000 0.224 469 L C 2.311 179.246 176.870 0.109 0.000 1.148 469 L CA 1.307 56.226 54.840 0.132 0.000 0.825 469 L CB -1.784 40.283 42.059 0.013 0.000 0.937 469 L HN 0.165 nan 8.230 nan 0.000 0.450 470 C N 0.198 119.537 119.300 0.065 0.000 2.453 470 C HA -0.103 4.357 4.460 0.000 0.000 0.277 470 C C 2.776 177.805 174.990 0.065 0.000 1.262 470 C CA 1.141 60.183 59.018 0.040 0.000 1.718 470 C CB -0.660 27.125 27.740 0.075 0.000 2.031 470 C HN 0.693 nan 8.230 nan 0.000 0.480 471 E N -0.010 120.233 120.200 0.072 0.000 2.110 471 E HA -0.164 4.186 4.350 0.000 0.000 0.193 471 E C 1.771 178.412 176.600 0.068 0.000 0.988 471 E CA 1.221 57.659 56.400 0.063 0.000 0.804 471 E CB -0.013 29.720 29.700 0.055 0.000 0.745 471 E HN 0.607 nan 8.360 nan 0.000 0.458 472 I N -1.363 119.263 120.570 0.093 0.000 2.494 472 I HA -0.129 4.041 4.170 0.000 0.000 0.250 472 I C 1.274 177.368 176.117 -0.038 0.000 1.112 472 I CA 0.656 61.980 61.300 0.040 0.000 1.438 472 I CB 0.063 38.109 38.000 0.077 0.000 1.111 472 I HN 0.168 nan 8.210 nan 0.000 0.431 473 W N 0.695 121.944 121.300 -0.086 0.000 3.197 473 W HA 0.126 4.786 4.660 0.000 0.000 0.274 473 W C 0.082 176.654 176.519 0.089 0.000 1.297 473 W CA -0.085 57.223 57.345 -0.061 0.000 1.662 473 W CB -0.015 29.367 29.460 -0.131 0.000 1.106 473 W HN 0.037 nan 8.180 nan 0.000 0.663 474 D N 0.158 120.677 120.400 0.197 0.000 2.739 474 D HA -0.134 4.506 4.640 0.000 0.000 0.240 474 D C -0.235 176.096 176.300 0.052 0.000 1.114 474 D CA 1.155 55.231 54.000 0.126 0.000 0.695 474 D CB -1.781 39.115 40.800 0.159 0.000 1.078 474 D HN 0.170 nan 8.370 nan 0.000 0.434 475 V N -5.309 114.587 119.914 -0.030 0.000 3.103 475 V HA 0.932 5.052 4.120 0.000 0.000 0.318 475 V C 0.632 176.711 176.094 -0.026 0.000 1.114 475 V CA 0.535 62.744 62.300 -0.151 0.000 1.020 475 V CB 1.467 32.872 31.823 -0.697 0.000 1.085 475 V HN 1.036 nan 8.190 nan 0.000 0.446 476 Q N 0.000 119.852 119.800 0.087 0.000 2.315 476 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 476 Q CA 0.000 55.893 55.803 0.150 0.000 1.022 476 Q CB 0.000 28.824 28.738 0.143 0.000 1.108 476 Q HN 0.000 nan 8.270 nan 0.000 0.481