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 2z32_1_A DATA FIRST_RESID 324 DATA SEQUENCE VGRLIYTAGG YFRQSLSYLE AYNPSNGSWL RLADLQVPRS GLAGCVVGGL DATA SEQUENCE LYAVGGRNNS PDGNTDSSAL DCYNPMTNQW SPCASMSVPR NRIGVGVIDG DATA SEQUENCE HIYAVGGSHG CIHHSSVERY EPERDEWHLV APMLTRRIGV GVAVLNRLLY DATA SEQUENCE AVGGFDGTNR LNSAECYYPE RNEWRMITPM NTIRSGAGVC VLHNCIYAAG DATA SEQUENCE GYDGQDQLNS VERYDVETET WTFVAPMRHH RSALGITVHQ GKIYVLGGYD DATA SEQUENCE GHTFLDSVEC YDPDSDTWSE VTRMTSGRSG VGVAVTMEPC 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 324 V HA 0.000 nan 4.120 nan 0.000 0.244 324 V C 0.000 176.138 176.094 0.073 0.000 1.182 324 V CA 0.000 62.330 62.300 0.049 0.000 1.235 324 V CB 0.000 31.843 31.823 0.034 0.000 1.184 325 G N 2.725 111.575 108.800 0.084 0.000 2.354 325 G HA2 0.657 4.619 3.960 0.004 0.000 0.285 325 G HA3 0.657 4.619 3.960 0.004 0.000 0.285 325 G C -0.599 174.376 174.900 0.124 0.000 1.390 325 G CA -0.078 45.097 45.100 0.125 0.000 1.231 325 G HN 0.862 nan 8.290 nan 0.000 0.603 326 R N 1.482 122.016 120.500 0.057 0.000 2.871 326 R HA 0.373 4.716 4.340 0.004 0.000 0.176 326 R C 0.073 176.242 176.300 -0.218 0.000 0.830 326 R CA 0.040 56.128 56.100 -0.021 0.000 1.160 326 R CB 0.383 30.683 30.300 -0.000 0.000 1.614 326 R HN 0.414 nan 8.270 nan 0.000 0.596 327 L N 1.955 123.086 121.223 -0.154 0.000 2.330 327 L HA 0.478 4.821 4.340 0.004 0.000 0.271 327 L C -0.710 176.016 176.870 -0.241 0.000 1.013 327 L CA -1.261 53.389 54.840 -0.318 0.000 0.816 327 L CB 1.935 43.741 42.059 -0.421 0.000 1.287 327 L HN 0.021 nan 8.230 nan 0.000 0.435 328 I N 2.172 122.536 120.570 -0.344 0.000 2.297 328 I HA 0.245 4.417 4.170 0.004 0.000 0.291 328 I C -0.270 175.807 176.117 -0.066 0.000 1.033 328 I CA -0.649 60.562 61.300 -0.148 0.000 1.253 328 I CB 0.140 38.019 38.000 -0.201 0.000 1.396 328 I HN 0.252 nan 8.210 nan 0.000 0.476 329 Y N 3.737 124.046 120.300 0.016 0.000 2.323 329 Y HA 0.462 5.016 4.550 0.005 0.000 0.331 329 Y C 0.996 176.985 175.900 0.148 0.000 1.092 329 Y CA -0.397 57.752 58.100 0.081 0.000 1.150 329 Y CB 1.586 40.071 38.460 0.041 0.000 1.200 329 Y HN 0.462 nan 8.280 nan 0.000 0.472 330 T N 2.702 117.462 114.554 0.343 0.000 2.840 330 T HA 0.821 5.174 4.350 0.004 0.000 0.287 330 T C -1.147 173.712 174.700 0.265 0.000 0.991 330 T CA -0.571 61.706 62.100 0.294 0.000 0.964 330 T CB 0.174 69.223 68.868 0.302 0.000 0.954 330 T HN 0.782 nan 8.240 nan 0.000 0.438 331 A N 3.575 126.533 122.820 0.231 0.000 2.343 331 A HA 0.925 5.248 4.320 0.004 0.000 0.316 331 A C 0.846 178.498 177.584 0.114 0.000 1.104 331 A CA 0.152 52.310 52.037 0.201 0.000 0.768 331 A CB 0.730 19.882 19.000 0.252 0.000 1.213 331 A HN 1.921 nan 8.150 nan 0.000 0.456 332 G N 1.027 109.856 108.800 0.049 0.000 2.562 332 G HA2 0.510 4.473 3.960 0.004 0.000 0.250 332 G HA3 0.510 4.473 3.960 0.004 0.000 0.250 332 G C 1.128 176.023 174.900 -0.008 0.000 1.269 332 G CA 0.565 45.646 45.100 -0.032 0.000 0.919 332 G HN 3.129 nan 8.290 nan 0.000 0.574 333 G N -2.651 106.152 108.800 0.005 0.000 2.384 333 G HA2 0.552 4.514 3.960 0.004 0.000 0.668 333 G HA3 0.552 4.514 3.960 0.004 0.000 0.668 333 G C -0.980 173.965 174.900 0.075 0.000 1.280 333 G CA 0.311 45.450 45.100 0.066 0.000 0.992 333 G HN 2.363 nan 8.290 nan 0.000 0.512 334 Y N -0.454 119.839 120.300 -0.012 0.000 2.421 334 Y HA 0.719 5.271 4.550 0.004 0.000 0.339 334 Y C -1.409 174.451 175.900 -0.067 0.000 0.996 334 Y CA -1.405 56.659 58.100 -0.061 0.000 1.046 334 Y CB 1.974 40.414 38.460 -0.033 0.000 1.226 334 Y HN 1.181 nan 8.280 nan 0.000 0.445 335 F N 7.575 126.979 119.950 -0.910 0.000 2.915 335 F HA 0.448 4.978 4.527 0.004 0.000 0.350 335 F C 0.074 175.243 175.800 -1.052 0.000 1.248 335 F CA -0.999 56.400 58.000 -1.002 0.000 1.084 335 F CB 0.670 39.361 39.000 -0.515 0.000 1.391 335 F HN 0.821 nan 8.300 nan 0.000 0.548 336 R N 1.761 121.248 120.500 -1.688 0.000 2.991 336 R HA -0.239 4.104 4.340 0.004 0.000 0.236 336 R C -0.266 175.496 176.300 -0.896 0.000 0.788 336 R CA 2.028 57.466 56.100 -1.102 0.000 1.764 336 R CB -1.107 28.633 30.300 -0.933 0.000 1.289 336 R HN 0.814 nan 8.270 nan 0.000 0.583 337 Q N 0.068 119.271 119.800 -0.994 0.000 2.648 337 Q HA 0.581 4.923 4.340 0.004 0.000 0.300 337 Q C -1.217 174.464 176.000 -0.532 0.000 0.954 337 Q CA -0.815 54.638 55.803 -0.583 0.000 0.757 337 Q CB 1.649 30.207 28.738 -0.299 0.000 1.482 337 Q HN -0.010 nan 8.270 nan 0.000 0.437 338 S N 0.595 116.210 115.700 -0.141 0.000 2.568 338 S HA 0.303 4.776 4.470 0.004 0.000 0.282 338 S C -0.048 174.420 174.600 -0.220 0.000 1.338 338 S CA -0.204 57.950 58.200 -0.077 0.000 1.045 338 S CB -0.001 63.195 63.200 -0.006 0.000 0.873 338 S HN 0.340 nan 8.310 nan 0.000 0.516 339 L N 1.757 122.821 121.223 -0.265 0.000 2.330 339 L HA 0.481 4.823 4.340 0.004 0.000 0.271 339 L C 0.901 177.546 176.870 -0.374 0.000 1.013 339 L CA -0.550 54.003 54.840 -0.479 0.000 0.816 339 L CB 1.833 43.425 42.059 -0.777 0.000 1.287 339 L HN 0.769 nan 8.230 nan 0.000 0.435 340 S N -1.130 114.336 115.700 -0.389 0.000 2.568 340 S HA 0.241 4.714 4.470 0.004 0.000 0.232 340 S C 0.157 174.728 174.600 -0.049 0.000 0.975 340 S CA -0.586 57.495 58.200 -0.198 0.000 0.949 340 S CB -0.434 62.685 63.200 -0.136 0.000 0.829 340 S HN 0.415 nan 8.310 nan 0.000 0.479 341 Y N 1.424 121.709 120.300 -0.025 0.000 2.610 341 Y HA 0.357 4.910 4.550 0.005 0.000 0.332 341 Y C 0.108 176.039 175.900 0.052 0.000 1.201 341 Y CA -1.029 57.074 58.100 0.005 0.000 1.465 341 Y CB 0.375 38.824 38.460 -0.019 0.000 1.283 341 Y HN 0.195 nan 8.280 nan 0.000 0.563 342 L N 4.573 125.958 121.223 0.271 0.000 2.342 342 L HA 0.440 4.782 4.340 0.004 0.000 0.276 342 L C -1.084 175.892 176.870 0.177 0.000 0.997 342 L CA -0.424 54.562 54.840 0.242 0.000 0.838 342 L CB 1.217 43.442 42.059 0.277 0.000 1.224 342 L HN 0.624 nan 8.230 nan 0.000 0.416 343 E N 3.440 123.757 120.200 0.195 0.000 2.312 343 E HA 0.859 5.211 4.350 0.004 0.000 0.267 343 E C -1.293 175.454 176.600 0.244 0.000 0.894 343 E CA -1.124 55.402 56.400 0.209 0.000 0.773 343 E CB 2.169 31.965 29.700 0.161 0.000 1.241 343 E HN 0.691 nan 8.360 nan 0.000 0.432 344 A N 2.117 125.014 122.820 0.127 0.000 2.343 344 A HA 0.450 4.772 4.320 0.004 0.000 0.308 344 A C -1.846 175.552 177.584 -0.311 0.000 1.092 344 A CA -0.514 51.357 52.037 -0.277 0.000 0.751 344 A CB 0.570 19.066 19.000 -0.839 0.000 1.203 344 A HN 0.617 nan 8.150 nan 0.000 0.452 345 Y N 2.974 122.779 120.300 -0.825 0.000 2.342 345 Y HA 0.546 5.099 4.550 0.004 0.000 0.334 345 Y C -0.196 175.258 175.900 -0.742 0.000 1.067 345 Y CA -0.967 56.389 58.100 -1.240 0.000 1.128 345 Y CB 1.307 38.618 38.460 -1.915 0.000 1.200 345 Y HN 0.630 nan 8.280 nan 0.000 0.464 346 N N 7.789 125.677 118.700 -1.354 0.000 2.558 346 N HA 0.332 5.075 4.740 0.004 0.000 0.242 346 N C -2.446 172.351 175.510 -1.188 0.000 0.979 346 N CA -2.524 49.947 53.050 -0.964 0.000 0.931 346 N CB 1.698 39.853 38.487 -0.554 0.000 1.122 346 N HN 0.402 nan 8.380 nan 0.000 0.508 347 P HA 0.004 nan 4.420 nan 0.000 0.222 347 P C 0.926 178.107 177.300 -0.198 0.000 1.147 347 P CA 0.824 63.636 63.100 -0.480 0.000 0.790 347 P CB 0.470 32.116 31.700 -0.090 0.000 0.780 348 S N 0.298 115.881 115.700 -0.196 0.000 2.402 348 S HA -0.114 4.358 4.470 0.004 0.000 0.229 348 S C 1.429 175.964 174.600 -0.109 0.000 1.021 348 S CA 1.650 59.789 58.200 -0.101 0.000 0.974 348 S CB -0.713 62.437 63.200 -0.085 0.000 0.800 348 S HN 0.394 nan 8.310 nan 0.000 0.484 349 N N -0.908 117.682 118.700 -0.183 0.000 2.143 349 N HA 0.244 4.987 4.740 0.004 0.000 0.222 349 N C 0.837 176.272 175.510 -0.126 0.000 1.264 349 N CA 0.655 53.628 53.050 -0.128 0.000 0.897 349 N CB -0.048 38.373 38.487 -0.110 0.000 1.092 349 N HN 0.289 nan 8.380 nan 0.000 0.516 350 G N 0.273 108.937 108.800 -0.227 0.000 2.159 350 G HA2 -0.297 3.666 3.960 0.004 0.000 0.256 350 G HA3 -0.297 3.666 3.960 0.004 0.000 0.256 350 G C 0.005 174.872 174.900 -0.055 0.000 0.977 350 G CA 0.514 45.580 45.100 -0.057 0.000 0.652 350 G HN 0.952 nan 8.290 nan 0.000 0.531 351 S N -0.798 114.757 115.700 -0.241 0.000 2.562 351 S HA 0.642 5.115 4.470 0.004 0.000 0.275 351 S C -0.290 174.203 174.600 -0.180 0.000 1.281 351 S CA -0.584 57.546 58.200 -0.117 0.000 1.045 351 S CB 1.267 64.404 63.200 -0.106 0.000 0.962 351 S HN 0.424 nan 8.310 nan 0.000 0.503 352 W N 2.014 123.337 121.300 0.038 0.000 2.478 352 W HA 0.598 5.260 4.660 0.004 0.000 0.318 352 W C -0.562 175.934 176.519 -0.037 0.000 1.062 352 W CA -0.888 56.472 57.345 0.026 0.000 1.210 352 W CB 1.332 30.819 29.460 0.045 0.000 1.325 352 W HN 0.477 nan 8.180 nan 0.000 0.496 353 L N 3.562 124.896 121.223 0.185 0.000 2.329 353 L HA 0.539 4.881 4.340 0.004 0.000 0.279 353 L C 0.237 177.172 176.870 0.108 0.000 1.014 353 L CA -1.284 53.613 54.840 0.094 0.000 0.814 353 L CB 1.663 43.727 42.059 0.009 0.000 1.257 353 L HN 0.347 nan 8.230 nan 0.000 0.424 354 R N 2.995 123.535 120.500 0.067 0.000 2.298 354 R HA 0.593 4.936 4.340 0.004 0.000 0.310 354 R C -0.945 175.395 176.300 0.068 0.000 1.068 354 R CA -0.178 55.949 56.100 0.045 0.000 0.957 354 R CB 0.599 30.894 30.300 -0.009 0.000 1.003 354 R HN 0.569 nan 8.270 nan 0.000 0.454 355 L N 2.476 123.753 121.223 0.089 0.000 2.341 355 L HA 0.611 4.954 4.340 0.004 0.000 0.267 355 L C 0.107 177.080 176.870 0.172 0.000 1.022 355 L CA -1.558 53.355 54.840 0.121 0.000 0.844 355 L CB 1.195 43.297 42.059 0.072 0.000 1.436 355 L HN 0.714 nan 8.230 nan 0.000 0.483 356 A N 0.344 123.313 122.820 0.249 0.000 2.546 356 A HA 0.085 4.407 4.320 0.004 0.000 0.243 356 A C -0.517 177.326 177.584 0.432 0.000 1.063 356 A CA -0.221 52.017 52.037 0.335 0.000 0.757 356 A CB -0.402 18.859 19.000 0.434 0.000 0.991 356 A HN 0.609 nan 8.150 nan 0.000 0.503 357 D N 1.250 121.823 120.400 0.289 0.000 2.423 357 D HA 0.258 4.901 4.640 0.004 0.000 0.238 357 D C 0.570 176.876 176.300 0.010 0.000 1.142 357 D CA 0.279 54.385 54.000 0.177 0.000 0.884 357 D CB 0.350 41.212 40.800 0.104 0.000 1.199 357 D HN 0.467 nan 8.370 nan 0.000 0.438 358 L N 2.155 123.198 121.223 -0.300 0.000 2.529 358 L HA -0.121 4.222 4.340 0.004 0.000 0.287 358 L C 1.964 178.599 176.870 -0.392 0.000 1.241 358 L CA 0.325 54.706 54.840 -0.765 0.000 0.857 358 L CB 0.281 41.977 42.059 -0.606 0.000 1.113 358 L HN 0.387 nan 8.230 nan 0.000 0.504 359 Q N 1.427 121.000 119.800 -0.379 0.000 2.167 359 Q HA -0.044 4.299 4.340 0.004 0.000 0.202 359 Q C -0.395 175.523 176.000 -0.138 0.000 0.970 359 Q CA 0.876 56.584 55.803 -0.159 0.000 0.855 359 Q CB 0.167 28.854 28.738 -0.085 0.000 0.911 359 Q HN 0.482 nan 8.270 nan 0.000 0.438 360 V N 2.011 121.815 119.914 -0.182 0.000 2.577 360 V HA 0.287 4.409 4.120 0.004 0.000 0.303 360 V C -2.425 173.571 176.094 -0.164 0.000 1.042 360 V CA -2.197 60.020 62.300 -0.139 0.000 0.872 360 V CB 1.717 33.474 31.823 -0.110 0.000 0.998 360 V HN 0.007 nan 8.190 nan 0.000 0.423 361 P HA 0.354 nan 4.420 nan 0.000 0.269 361 P C -0.855 176.373 177.300 -0.119 0.000 1.209 361 P CA -0.171 62.839 63.100 -0.150 0.000 0.776 361 P CB 0.462 32.073 31.700 -0.147 0.000 0.876 362 R N 0.077 120.511 120.500 -0.110 0.000 2.629 362 R HA 0.688 5.030 4.340 0.004 0.000 0.266 362 R C -1.241 175.041 176.300 -0.029 0.000 1.051 362 R CA -0.808 55.253 56.100 -0.065 0.000 0.895 362 R CB 1.105 31.363 30.300 -0.070 0.000 1.246 362 R HN 0.493 nan 8.270 nan 0.000 0.459 363 S N -0.820 114.885 115.700 0.008 0.000 2.671 363 S HA 0.724 5.196 4.470 0.004 0.000 0.299 363 S C 0.710 175.324 174.600 0.024 0.000 1.116 363 S CA -0.297 57.928 58.200 0.042 0.000 0.912 363 S CB 1.824 65.088 63.200 0.108 0.000 1.130 363 S HN 1.423 nan 8.310 nan 0.000 0.501 364 G N 0.174 108.997 108.800 0.037 0.000 2.168 364 G HA2 -0.220 3.743 3.960 0.004 0.000 0.257 364 G HA3 -0.220 3.743 3.960 0.004 0.000 0.257 364 G C -0.084 174.841 174.900 0.042 0.000 0.997 364 G CA 0.663 45.782 45.100 0.032 0.000 0.708 364 G HN 1.385 nan 8.290 nan 0.000 0.520 365 L N -2.185 119.067 121.223 0.049 0.000 2.448 365 L HA 0.958 5.301 4.340 0.004 0.000 0.258 365 L C 0.382 177.307 176.870 0.093 0.000 1.104 365 L CA -0.593 54.282 54.840 0.058 0.000 0.800 365 L CB 1.464 43.550 42.059 0.045 0.000 1.241 365 L HN 0.664 nan 8.230 nan 0.000 0.472 366 A N -0.251 122.636 122.820 0.113 0.000 2.384 366 A HA 0.850 5.173 4.320 0.004 0.000 0.312 366 A C -0.218 177.468 177.584 0.171 0.000 1.113 366 A CA -0.156 51.967 52.037 0.144 0.000 0.779 366 A CB 1.344 20.435 19.000 0.152 0.000 1.307 366 A HN 1.040 nan 8.150 nan 0.000 0.436 367 G N -1.216 107.696 108.800 0.187 0.000 2.454 367 G HA2 0.675 4.637 3.960 0.004 0.000 0.329 367 G HA3 0.675 4.637 3.960 0.004 0.000 0.329 367 G C -0.304 174.723 174.900 0.212 0.000 1.177 367 G CA -0.004 45.225 45.100 0.214 0.000 0.951 367 G HN 2.099 nan 8.290 nan 0.000 0.485 368 C N -1.750 117.691 119.300 0.235 0.000 3.259 368 C HA 0.807 5.269 4.460 0.004 0.000 0.344 368 C C -1.161 173.982 174.990 0.255 0.000 1.401 368 C CA -0.879 58.269 59.018 0.216 0.000 1.219 368 C CB 1.102 28.960 27.740 0.197 0.000 1.521 368 C HN 0.763 nan 8.230 nan 0.000 0.455 369 V N 1.082 121.124 119.914 0.213 0.000 2.638 369 V HA 0.802 4.925 4.120 0.004 0.000 0.306 369 V C -0.752 175.468 176.094 0.209 0.000 1.052 369 V CA -0.277 62.147 62.300 0.206 0.000 0.885 369 V CB 1.779 33.657 31.823 0.093 0.000 0.999 369 V HN 0.928 nan 8.190 nan 0.000 0.424 370 V N 2.657 122.749 119.914 0.296 0.000 2.623 370 V HA 0.718 4.841 4.120 0.004 0.000 0.304 370 V C 0.715 176.915 176.094 0.177 0.000 1.054 370 V CA 0.049 62.467 62.300 0.196 0.000 0.882 370 V CB 1.529 33.431 31.823 0.131 0.000 1.002 370 V HN 1.225 nan 8.190 nan 0.000 0.424 371 G N 3.246 112.094 108.800 0.080 0.000 2.356 371 G HA2 0.083 4.045 3.960 0.004 0.000 0.296 371 G HA3 0.083 4.045 3.960 0.004 0.000 0.296 371 G C 1.221 176.136 174.900 0.024 0.000 1.022 371 G CA 0.842 45.968 45.100 0.044 0.000 0.961 371 G HN 2.477 nan 8.290 nan 0.000 0.510 372 G N -2.041 106.769 108.800 0.016 0.000 2.175 372 G HA2 -0.259 3.703 3.960 0.004 0.000 0.265 372 G HA3 -0.259 3.703 3.960 0.004 0.000 0.265 372 G C 0.429 175.277 174.900 -0.087 0.000 0.979 372 G CA 0.839 45.922 45.100 -0.028 0.000 0.663 372 G HN 1.385 nan 8.290 nan 0.000 0.533 373 L N -0.275 120.900 121.223 -0.080 0.000 2.331 373 L HA 0.743 5.086 4.340 0.004 0.000 0.275 373 L C 0.228 176.939 176.870 -0.266 0.000 1.022 373 L CA -1.298 53.394 54.840 -0.247 0.000 0.812 373 L CB 1.669 43.513 42.059 -0.359 0.000 1.257 373 L HN 0.114 nan 8.230 nan 0.000 0.435 374 L N 2.585 123.593 121.223 -0.359 0.000 2.289 374 L HA 0.433 4.776 4.340 0.004 0.000 0.285 374 L C -1.243 175.475 176.870 -0.253 0.000 1.049 374 L CA 0.213 54.916 54.840 -0.228 0.000 0.804 374 L CB 0.680 42.566 42.059 -0.289 0.000 1.195 374 L HN 0.245 nan 8.230 nan 0.000 0.428 375 Y N 3.872 124.238 120.300 0.109 0.000 2.393 375 Y HA 0.744 5.298 4.550 0.005 0.000 0.341 375 Y C 0.201 176.245 175.900 0.240 0.000 0.988 375 Y CA -0.677 57.533 58.100 0.184 0.000 1.078 375 Y CB 1.989 40.515 38.460 0.109 0.000 1.203 375 Y HN 0.743 nan 8.280 nan 0.000 0.453 376 A N 3.054 126.135 122.820 0.434 0.000 2.287 376 A HA 0.797 5.120 4.320 0.004 0.000 0.317 376 A C -1.415 176.291 177.584 0.204 0.000 1.220 376 A CA -0.646 51.561 52.037 0.282 0.000 0.835 376 A CB 0.496 19.596 19.000 0.166 0.000 1.180 376 A HN 0.515 nan 8.150 nan 0.000 0.500 377 V N 2.470 122.482 119.914 0.164 0.000 2.487 377 V HA 0.784 4.907 4.120 0.004 0.000 0.298 377 V C 0.921 177.049 176.094 0.056 0.000 1.028 377 V CA 0.385 62.764 62.300 0.131 0.000 0.860 377 V CB 0.543 32.472 31.823 0.177 0.000 0.991 377 V HN 2.139 nan 8.190 nan 0.000 0.427 378 G N 3.339 112.137 108.800 -0.003 0.000 2.569 378 G HA2 0.359 4.322 3.960 0.004 0.000 0.259 378 G HA3 0.359 4.322 3.960 0.004 0.000 0.259 378 G C 0.539 175.428 174.900 -0.018 0.000 1.263 378 G CA -0.002 45.078 45.100 -0.032 0.000 0.928 378 G HN 2.636 nan 8.290 nan 0.000 0.572 379 G N -1.392 107.401 108.800 -0.012 0.000 2.526 379 G HA2 0.429 4.391 3.960 0.004 0.000 0.250 379 G HA3 0.429 4.391 3.960 0.004 0.000 0.250 379 G C -0.309 174.575 174.900 -0.026 0.000 1.289 379 G CA 0.821 45.914 45.100 -0.011 0.000 0.947 379 G HN 1.989 nan 8.290 nan 0.000 0.517 380 R N -0.325 120.159 120.500 -0.026 0.000 2.584 380 R HA 0.516 4.859 4.340 0.004 0.000 0.276 380 R C -1.158 175.125 176.300 -0.028 0.000 1.046 380 R CA -0.804 55.278 56.100 -0.030 0.000 0.906 380 R CB 1.367 31.649 30.300 -0.030 0.000 1.215 380 R HN 0.658 nan 8.270 nan 0.000 0.449 381 N N 2.840 121.520 118.700 -0.034 0.000 2.521 381 N HA 0.029 4.772 4.740 0.004 0.000 0.236 381 N C -1.215 174.283 175.510 -0.020 0.000 1.067 381 N CA -0.241 52.788 53.050 -0.035 0.000 0.939 381 N CB 0.628 39.085 38.487 -0.050 0.000 1.201 381 N HN 0.500 nan 8.380 nan 0.000 0.511 382 N N 2.296 121.002 118.700 0.009 0.000 2.555 382 N HA 0.093 4.836 4.740 0.004 0.000 0.244 382 N C -1.033 174.492 175.510 0.025 0.000 1.114 382 N CA -0.132 52.936 53.050 0.031 0.000 0.963 382 N CB 0.059 38.587 38.487 0.068 0.000 1.276 382 N HN 0.534 nan 8.380 nan 0.000 0.510 383 S N 3.010 118.700 115.700 -0.016 0.000 2.689 383 S HA 0.627 5.100 4.470 0.004 0.000 0.306 383 S C -1.653 172.917 174.600 -0.049 0.000 1.104 383 S CA -1.168 57.004 58.200 -0.046 0.000 0.973 383 S CB 2.029 65.198 63.200 -0.051 0.000 1.121 383 S HN 0.258 nan 8.310 nan 0.000 0.523 384 P HA -0.098 nan 4.420 nan 0.000 0.217 384 P C 0.106 177.379 177.300 -0.044 0.000 1.148 384 P CA 1.628 64.692 63.100 -0.058 0.000 0.828 384 P CB -0.545 31.116 31.700 -0.064 0.000 0.783 385 D N -1.434 118.941 120.400 -0.041 0.000 2.738 385 D HA 0.465 5.108 4.640 0.004 0.000 0.246 385 D C 0.729 177.012 176.300 -0.029 0.000 1.270 385 D CA -0.568 53.412 54.000 -0.033 0.000 0.833 385 D CB -0.017 40.764 40.800 -0.031 0.000 1.040 385 D HN 0.245 nan 8.370 nan 0.000 0.487 386 G N -0.079 108.704 108.800 -0.029 0.000 2.353 386 G HA2 0.071 4.034 3.960 0.004 0.000 0.424 386 G HA3 0.071 4.034 3.960 0.004 0.000 0.424 386 G C -1.860 173.025 174.900 -0.024 0.000 1.320 386 G CA -1.225 43.860 45.100 -0.025 0.000 0.995 386 G HN 0.103 nan 8.290 nan 0.000 0.580 387 N N 0.399 119.086 118.700 -0.021 0.000 2.483 387 N HA 0.663 5.406 4.740 0.004 0.000 0.267 387 N C -0.878 174.623 175.510 -0.015 0.000 0.998 387 N CA -0.291 52.747 53.050 -0.021 0.000 0.918 387 N CB 1.905 40.377 38.487 -0.025 0.000 1.215 387 N HN 0.596 nan 8.380 nan 0.000 0.500 388 T N 0.921 115.464 114.554 -0.018 0.000 2.815 388 T HA 0.291 4.643 4.350 0.004 0.000 0.289 388 T C -0.546 174.141 174.700 -0.022 0.000 1.000 388 T CA -0.772 61.319 62.100 -0.014 0.000 0.958 388 T CB 1.194 70.048 68.868 -0.024 0.000 0.944 388 T HN 0.207 nan 8.240 nan 0.000 0.442 389 D N 2.181 122.576 120.400 -0.008 0.000 2.414 389 D HA 0.173 4.815 4.640 0.004 0.000 0.242 389 D C 0.146 176.396 176.300 -0.082 0.000 1.129 389 D CA 0.234 54.214 54.000 -0.033 0.000 0.885 389 D CB 1.249 42.052 40.800 0.006 0.000 1.198 389 D HN 0.413 nan 8.370 nan 0.000 0.437 390 S N -0.134 115.517 115.700 -0.082 0.000 2.475 390 S HA 0.255 4.728 4.470 0.004 0.000 0.298 390 S C 0.701 175.225 174.600 -0.127 0.000 1.119 390 S CA -0.721 57.422 58.200 -0.095 0.000 1.085 390 S CB 0.811 63.967 63.200 -0.073 0.000 1.028 390 S HN 0.369 nan 8.310 nan 0.000 0.489 391 S N 3.311 118.922 115.700 -0.150 0.000 2.568 391 S HA 0.463 4.935 4.470 0.004 0.000 0.232 391 S C 0.577 175.077 174.600 -0.167 0.000 0.975 391 S CA -0.211 57.870 58.200 -0.197 0.000 0.949 391 S CB -0.027 63.040 63.200 -0.221 0.000 0.829 391 S HN 0.919 nan 8.310 nan 0.000 0.479 392 A N 1.605 124.367 122.820 -0.097 0.000 2.425 392 A HA 0.653 4.976 4.320 0.004 0.000 0.249 392 A C -0.447 177.144 177.584 0.010 0.000 1.084 392 A CA -0.402 51.612 52.037 -0.038 0.000 0.781 392 A CB 0.232 19.212 19.000 -0.034 0.000 1.019 392 A HN 0.611 nan 8.150 nan 0.000 0.490 393 L N 2.605 123.880 121.223 0.087 0.000 2.343 393 L HA 0.545 4.887 4.340 0.004 0.000 0.278 393 L C -1.405 175.573 176.870 0.179 0.000 0.996 393 L CA -0.145 54.797 54.840 0.169 0.000 0.831 393 L CB 1.616 43.815 42.059 0.233 0.000 1.232 393 L HN 0.651 nan 8.230 nan 0.000 0.413 394 D N 3.738 124.274 120.400 0.226 0.000 2.481 394 D HA 0.357 5.000 4.640 0.004 0.000 0.244 394 D C -1.223 175.331 176.300 0.424 0.000 1.057 394 D CA -0.138 54.036 54.000 0.290 0.000 0.848 394 D CB 2.344 43.251 40.800 0.179 0.000 1.388 394 D HN 0.565 nan 8.370 nan 0.000 0.475 395 C N 3.347 122.834 119.300 0.313 0.000 2.345 395 C HA 0.524 4.987 4.460 0.004 0.000 0.323 395 C C -0.977 173.938 174.990 -0.125 0.000 1.276 395 C CA -0.654 58.322 59.018 -0.070 0.000 1.543 395 C CB -0.531 27.059 27.740 -0.249 0.000 2.211 395 C HN 0.611 nan 8.230 nan 0.000 0.493 396 Y N 6.093 125.983 120.300 -0.684 0.000 2.331 396 Y HA 0.484 5.036 4.550 0.004 0.000 0.338 396 Y C -0.082 175.433 175.900 -0.642 0.000 0.992 396 Y CA -0.145 57.323 58.100 -1.054 0.000 1.121 396 Y CB 0.653 37.974 38.460 -1.899 0.000 1.184 396 Y HN 0.792 nan 8.280 nan 0.000 0.469 397 N N 8.226 126.251 118.700 -1.124 0.000 2.485 397 N HA 0.329 5.072 4.740 0.004 0.000 0.243 397 N C -2.363 172.545 175.510 -1.004 0.000 0.987 397 N CA -2.662 49.903 53.050 -0.809 0.000 0.940 397 N CB 1.756 39.956 38.487 -0.478 0.000 1.122 397 N HN 0.394 nan 8.380 nan 0.000 0.509 398 P HA -0.044 nan 4.420 nan 0.000 0.222 398 P C 1.341 178.519 177.300 -0.203 0.000 1.147 398 P CA 1.199 64.119 63.100 -0.299 0.000 0.790 398 P CB 0.256 31.943 31.700 -0.022 0.000 0.780 399 M N -1.552 117.914 119.600 -0.223 0.000 2.319 399 M HA -0.049 4.434 4.480 0.004 0.000 0.265 399 M C 1.556 177.772 176.300 -0.139 0.000 1.068 399 M CA 2.032 57.249 55.300 -0.139 0.000 1.118 399 M CB -0.803 31.724 32.600 -0.121 0.000 1.395 399 M HN 0.071 nan 8.290 nan 0.000 0.435 400 T N -4.568 109.858 114.554 -0.214 0.000 3.010 400 T HA 0.136 4.489 4.350 0.004 0.000 0.257 400 T C 0.663 175.261 174.700 -0.170 0.000 1.020 400 T CA -0.001 61.998 62.100 -0.168 0.000 0.938 400 T CB -0.152 68.618 68.868 -0.163 0.000 1.049 400 T HN 0.348 nan 8.240 nan 0.000 0.522 401 N N 1.298 119.833 118.700 -0.275 0.000 2.727 401 N HA -0.187 4.556 4.740 0.004 0.000 0.249 401 N C -0.833 174.620 175.510 -0.095 0.000 1.048 401 N CA 0.689 53.650 53.050 -0.149 0.000 0.714 401 N CB -1.506 37.034 38.487 0.089 0.000 0.959 401 N HN 0.791 nan 8.380 nan 0.000 0.544 402 Q N -0.544 119.047 119.800 -0.348 0.000 2.372 402 Q HA 0.493 4.835 4.340 0.004 0.000 0.273 402 Q C -1.000 174.867 176.000 -0.222 0.000 1.078 402 Q CA -0.643 55.081 55.803 -0.131 0.000 0.806 402 Q CB 1.035 29.727 28.738 -0.076 0.000 1.332 402 Q HN 0.340 nan 8.270 nan 0.000 0.435 403 W N 1.050 122.416 121.300 0.110 0.000 2.315 403 W HA 0.510 5.172 4.660 0.004 0.000 0.316 403 W C -0.146 176.393 176.519 0.034 0.000 1.211 403 W CA -0.121 57.286 57.345 0.104 0.000 1.201 403 W CB 1.465 31.005 29.460 0.133 0.000 1.184 403 W HN 0.365 nan 8.180 nan 0.000 0.544 404 S N 3.583 119.448 115.700 0.274 0.000 2.557 404 S HA 0.449 4.922 4.470 0.004 0.000 0.291 404 S C -2.628 172.084 174.600 0.186 0.000 1.116 404 S CA -1.394 56.906 58.200 0.167 0.000 0.992 404 S CB 1.785 65.030 63.200 0.075 0.000 1.028 404 S HN 0.091 nan 8.310 nan 0.000 0.484 405 P HA 0.292 nan 4.420 nan 0.000 0.268 405 P C -0.718 176.663 177.300 0.135 0.000 1.204 405 P CA -0.200 62.977 63.100 0.129 0.000 0.768 405 P CB 0.242 31.996 31.700 0.090 0.000 0.842 406 C N 2.097 121.490 119.300 0.155 0.000 2.564 406 C HA 0.757 5.219 4.460 0.004 0.000 0.381 406 C C 0.764 175.862 174.990 0.179 0.000 1.297 406 C CA -0.473 58.650 59.018 0.175 0.000 1.846 406 C CB 1.218 29.074 27.740 0.194 0.000 2.198 406 C HN 0.614 nan 8.230 nan 0.000 0.507 407 A N 1.416 124.377 122.820 0.235 0.000 2.540 407 A HA 0.405 4.727 4.320 0.004 0.000 0.239 407 A C 0.381 178.183 177.584 0.364 0.000 1.061 407 A CA 0.474 52.680 52.037 0.283 0.000 0.758 407 A CB -0.076 19.135 19.000 0.350 0.000 0.991 407 A HN 0.831 nan 8.150 nan 0.000 0.502 408 S N 2.106 117.926 115.700 0.199 0.000 2.601 408 S HA 0.400 4.873 4.470 0.004 0.000 0.271 408 S C 0.640 175.134 174.600 -0.177 0.000 1.305 408 S CA -0.386 57.833 58.200 0.032 0.000 1.022 408 S CB 0.549 63.731 63.200 -0.030 0.000 0.940 408 S HN 0.667 nan 8.310 nan 0.000 0.525 409 M N 1.832 121.074 119.600 -0.595 0.000 2.184 409 M HA 0.033 4.515 4.480 0.004 0.000 0.296 409 M C 1.863 177.894 176.300 -0.448 0.000 1.165 409 M CA -0.084 54.636 55.300 -0.968 0.000 1.175 409 M CB 0.150 32.138 32.600 -1.020 0.000 1.392 409 M HN 0.868 nan 8.290 nan 0.000 0.457 410 S N -0.447 115.028 115.700 -0.375 0.000 2.442 410 S HA 0.037 4.510 4.470 0.004 0.000 0.236 410 S C 0.421 174.892 174.600 -0.215 0.000 1.007 410 S CA 0.385 58.456 58.200 -0.216 0.000 0.965 410 S CB -0.127 62.975 63.200 -0.164 0.000 0.773 410 S HN 0.581 nan 8.310 nan 0.000 0.504 411 V N 1.121 120.863 119.914 -0.287 0.000 3.048 411 V HA 0.507 4.629 4.120 0.004 0.000 0.303 411 V C -3.009 172.915 176.094 -0.284 0.000 1.214 411 V CA -2.294 59.845 62.300 -0.268 0.000 0.984 411 V CB 2.208 33.844 31.823 -0.311 0.000 1.054 411 V HN 0.030 nan 8.190 nan 0.000 0.430 412 P HA 0.406 nan 4.420 nan 0.000 0.268 412 P C -1.394 175.873 177.300 -0.054 0.000 1.205 412 P CA -0.010 62.933 63.100 -0.262 0.000 0.771 412 P CB 0.239 31.657 31.700 -0.471 0.000 0.858 413 R N 1.783 122.258 120.500 -0.042 0.000 2.680 413 R HA 0.304 4.647 4.340 0.004 0.000 0.278 413 R C -0.621 175.688 176.300 0.015 0.000 1.582 413 R CA -0.684 55.448 56.100 0.054 0.000 1.177 413 R CB 0.776 31.088 30.300 0.020 0.000 1.232 413 R HN 0.369 nan 8.270 nan 0.000 0.528 414 N N 1.466 120.172 118.700 0.010 0.000 2.524 414 N HA 0.148 4.891 4.740 0.004 0.000 0.283 414 N C -0.114 175.409 175.510 0.022 0.000 1.142 414 N CA -0.171 52.880 53.050 0.002 0.000 0.984 414 N CB 0.637 39.115 38.487 -0.016 0.000 1.155 414 N HN 0.453 nan 8.380 nan 0.000 0.467 415 R N 0.142 120.658 120.500 0.027 0.000 3.333 415 R HA -0.204 4.139 4.340 0.004 0.000 0.256 415 R C -0.033 176.310 176.300 0.072 0.000 1.010 415 R CA 0.259 56.389 56.100 0.049 0.000 0.680 415 R CB -2.033 28.295 30.300 0.047 0.000 1.102 415 R HN 0.605 nan 8.270 nan 0.000 0.440 416 I N -0.077 120.535 120.570 0.071 0.000 2.945 416 I HA 0.358 4.531 4.170 0.004 0.000 0.292 416 I C 0.928 177.108 176.117 0.105 0.000 1.093 416 I CA 0.275 61.626 61.300 0.084 0.000 1.336 416 I CB 0.917 38.957 38.000 0.067 0.000 1.435 416 I HN 0.266 nan 8.210 nan 0.000 0.593 417 G N 4.697 113.570 108.800 0.121 0.000 2.482 417 G HA2 0.618 4.581 3.960 0.004 0.000 0.317 417 G HA3 0.618 4.581 3.960 0.004 0.000 0.317 417 G C -1.688 173.316 174.900 0.173 0.000 1.241 417 G CA -0.350 44.837 45.100 0.146 0.000 0.967 417 G HN 0.490 nan 8.290 nan 0.000 0.482 418 V N 0.063 120.091 119.914 0.190 0.000 2.876 418 V HA 0.939 5.061 4.120 0.004 0.000 0.312 418 V C 0.442 176.672 176.094 0.228 0.000 1.085 418 V CA -0.154 62.279 62.300 0.222 0.000 0.945 418 V CB 2.155 34.105 31.823 0.213 0.000 1.017 418 V HN 1.191 nan 8.190 nan 0.000 0.428 419 G N 1.675 110.634 108.800 0.264 0.000 2.660 419 G HA2 0.673 4.636 3.960 0.004 0.000 0.294 419 G HA3 0.673 4.636 3.960 0.004 0.000 0.294 419 G C -1.887 173.181 174.900 0.280 0.000 1.369 419 G CA -0.576 44.666 45.100 0.235 0.000 0.912 419 G HN 0.557 nan 8.290 nan 0.000 0.479 420 V N 1.302 121.348 119.914 0.221 0.000 2.409 420 V HA 0.491 4.614 4.120 0.004 0.000 0.291 420 V C -0.365 175.847 176.094 0.198 0.000 1.020 420 V CA -0.485 61.946 62.300 0.218 0.000 0.848 420 V CB 1.214 33.119 31.823 0.137 0.000 0.990 420 V HN 0.582 nan 8.190 nan 0.000 0.430 421 I N 3.165 123.902 120.570 0.279 0.000 2.389 421 I HA 0.404 4.577 4.170 0.004 0.000 0.288 421 I C 0.241 176.460 176.117 0.169 0.000 0.999 421 I CA -0.502 60.921 61.300 0.205 0.000 1.129 421 I CB 1.472 39.592 38.000 0.201 0.000 1.288 421 I HN 0.709 nan 8.210 nan 0.000 0.444 422 D N 5.328 125.765 120.400 0.063 0.000 2.686 422 D HA -0.193 4.449 4.640 0.004 0.000 0.235 422 D C 1.089 177.231 176.300 -0.264 0.000 1.160 422 D CA 1.619 55.601 54.000 -0.031 0.000 0.645 422 D CB -0.529 40.295 40.800 0.040 0.000 1.039 422 D HN 1.123 nan 8.370 nan 0.000 0.423 423 G N -0.543 108.133 108.800 -0.207 0.000 2.179 423 G HA2 -0.336 3.627 3.960 0.004 0.000 0.260 423 G HA3 -0.336 3.627 3.960 0.004 0.000 0.260 423 G C 0.079 174.746 174.900 -0.388 0.000 0.977 423 G CA 0.457 45.376 45.100 -0.302 0.000 0.641 423 G HN 0.689 nan 8.290 nan 0.000 0.533 424 H N -0.742 118.323 119.070 -0.008 0.000 2.492 424 H HA 0.676 5.236 4.556 0.006 0.000 0.345 424 H C 0.248 175.549 175.328 -0.046 0.000 1.136 424 H CA -0.926 55.062 56.048 -0.100 0.000 1.202 424 H CB 1.582 31.273 29.762 -0.118 0.000 1.524 424 H HN 0.201 nan 8.280 nan 0.000 0.506 425 I N 3.271 123.825 120.570 -0.027 0.000 2.331 425 I HA 0.145 4.318 4.170 0.004 0.000 0.292 425 I C -0.741 175.400 176.117 0.040 0.000 0.998 425 I CA -0.435 60.886 61.300 0.034 0.000 1.267 425 I CB 0.604 38.552 38.000 -0.087 0.000 1.386 425 I HN 0.475 nan 8.210 nan 0.000 0.476 426 Y N 4.643 125.056 120.300 0.189 0.000 2.328 426 Y HA 0.599 5.151 4.550 0.004 0.000 0.337 426 Y C 0.417 176.474 175.900 0.262 0.000 1.008 426 Y CA -0.691 57.546 58.100 0.227 0.000 1.129 426 Y CB 1.732 40.275 38.460 0.139 0.000 1.185 426 Y HN 0.592 nan 8.280 nan 0.000 0.476 427 A N 3.572 126.638 122.820 0.410 0.000 2.303 427 A HA 0.785 5.108 4.320 0.004 0.000 0.320 427 A C -1.292 176.396 177.584 0.174 0.000 1.192 427 A CA -0.627 51.555 52.037 0.242 0.000 0.821 427 A CB 0.653 19.679 19.000 0.042 0.000 1.188 427 A HN 0.523 nan 8.150 nan 0.000 0.492 428 V N 2.770 122.775 119.914 0.152 0.000 2.531 428 V HA 0.705 4.828 4.120 0.004 0.000 0.301 428 V C 1.010 177.154 176.094 0.084 0.000 1.034 428 V CA 0.524 62.900 62.300 0.127 0.000 0.865 428 V CB 0.661 32.586 31.823 0.170 0.000 0.995 428 V HN 2.054 nan 8.190 nan 0.000 0.424 429 G N 3.850 112.687 108.800 0.061 0.000 2.574 429 G HA2 0.288 4.251 3.960 0.004 0.000 0.286 429 G HA3 0.288 4.251 3.960 0.004 0.000 0.286 429 G C 0.688 175.692 174.900 0.173 0.000 1.212 429 G CA 0.109 45.271 45.100 0.104 0.000 0.979 429 G HN 2.631 nan 8.290 nan 0.000 0.557 430 G N -2.511 106.369 108.800 0.133 0.000 2.756 430 G HA2 0.454 4.416 3.960 0.004 0.000 0.678 430 G HA3 0.454 4.416 3.960 0.004 0.000 0.678 430 G C 0.091 174.980 174.900 -0.019 0.000 1.349 430 G CA 0.824 45.986 45.100 0.104 0.000 0.847 430 G HN 2.730 nan 8.290 nan 0.000 0.548 431 S N -0.909 114.737 115.700 -0.091 0.000 2.621 431 S HA 0.802 5.274 4.470 0.004 0.000 0.302 431 S C -0.479 174.005 174.600 -0.192 0.000 1.093 431 S CA -0.019 58.004 58.200 -0.294 0.000 1.017 431 S CB 2.140 65.194 63.200 -0.242 0.000 1.077 431 S HN 1.564 nan 8.310 nan 0.000 0.517 432 H N -0.019 118.810 119.070 -0.403 0.000 3.108 432 H HA 0.481 5.039 4.556 0.004 0.000 0.329 432 H C 0.889 176.098 175.328 -0.199 0.000 0.978 432 H CA -0.137 55.795 56.048 -0.194 0.000 1.413 432 H CB 0.398 30.126 29.762 -0.058 0.000 1.670 432 H HN 1.220 nan 8.280 nan 0.000 0.512 433 G N 2.382 111.116 108.800 -0.110 0.000 2.622 433 G HA2 -0.411 3.551 3.960 0.004 0.000 0.307 433 G HA3 -0.411 3.551 3.960 0.004 0.000 0.307 433 G C 1.131 175.895 174.900 -0.226 0.000 1.226 433 G CA 0.485 45.465 45.100 -0.200 0.000 0.997 433 G HN 0.681 nan 8.290 nan 0.000 0.551 434 C N 0.368 119.532 119.300 -0.227 0.000 2.626 434 C HA 0.511 4.974 4.460 0.004 0.000 0.266 434 C C 1.148 175.961 174.990 -0.295 0.000 1.317 434 C CA -0.035 58.867 59.018 -0.192 0.000 1.716 434 C CB -1.423 26.260 27.740 -0.095 0.000 1.819 434 C HN 0.428 nan 8.230 nan 0.000 0.578 435 I N 0.568 120.916 120.570 -0.369 0.000 2.396 435 I HA 0.246 4.418 4.170 0.004 0.000 0.292 435 I C -0.189 175.566 176.117 -0.604 0.000 0.999 435 I CA -0.031 61.071 61.300 -0.331 0.000 1.310 435 I CB 0.430 38.305 38.000 -0.208 0.000 1.404 435 I HN 0.265 nan 8.210 nan 0.000 0.496 436 H N 5.013 123.960 119.070 -0.205 0.000 2.511 436 H HA 0.452 5.010 4.556 0.004 0.000 0.328 436 H C -0.653 174.585 175.328 -0.151 0.000 1.044 436 H CA -0.646 55.278 56.048 -0.208 0.000 1.212 436 H CB 0.612 30.282 29.762 -0.153 0.000 1.428 436 H HN 0.400 nan 8.280 nan 0.000 0.483 437 H N 1.061 120.158 119.070 0.045 0.000 2.652 437 H HA 0.072 4.631 4.556 0.006 0.000 0.349 437 H C 0.781 176.095 175.328 -0.022 0.000 1.099 437 H CA 0.012 56.062 56.048 0.003 0.000 1.417 437 H CB 1.439 31.193 29.762 -0.013 0.000 1.457 437 H HN 0.773 nan 8.280 nan 0.000 0.568 438 S N 0.787 116.540 115.700 0.088 0.000 2.511 438 S HA 0.013 4.485 4.470 0.004 0.000 0.214 438 S C 0.856 175.422 174.600 -0.055 0.000 0.997 438 S CA -0.179 58.001 58.200 -0.033 0.000 0.908 438 S CB 0.016 63.176 63.200 -0.067 0.000 0.803 438 S HN 0.579 nan 8.310 nan 0.000 0.504 439 S N 1.109 116.803 115.700 -0.010 0.000 2.584 439 S HA 0.576 5.049 4.470 0.004 0.000 0.270 439 S C -0.231 174.351 174.600 -0.031 0.000 1.346 439 S CA -0.500 57.675 58.200 -0.042 0.000 1.018 439 S CB 0.870 64.004 63.200 -0.109 0.000 0.899 439 S HN 0.334 nan 8.310 nan 0.000 0.542 440 V N 2.178 122.106 119.914 0.024 0.000 2.808 440 V HA 0.601 4.723 4.120 0.004 0.000 0.308 440 V C -0.598 175.563 176.094 0.110 0.000 1.099 440 V CA -0.756 61.603 62.300 0.100 0.000 0.920 440 V CB 1.738 33.691 31.823 0.218 0.000 1.014 440 V HN 1.113 nan 8.190 nan 0.000 0.425 441 E N 3.577 123.857 120.200 0.134 0.000 2.393 441 E HA 0.747 5.100 4.350 0.004 0.000 0.273 441 E C -1.148 175.633 176.600 0.302 0.000 0.918 441 E CA -1.227 55.285 56.400 0.187 0.000 0.773 441 E CB 3.241 33.010 29.700 0.115 0.000 1.275 441 E HN 0.540 nan 8.360 nan 0.000 0.451 442 R N 1.628 122.262 120.500 0.224 0.000 2.561 442 R HA 0.288 4.630 4.340 0.004 0.000 0.297 442 R C -1.890 174.327 176.300 -0.138 0.000 0.969 442 R CA -0.722 55.276 56.100 -0.169 0.000 0.879 442 R CB 1.436 31.392 30.300 -0.573 0.000 1.178 442 R HN 0.704 nan 8.270 nan 0.000 0.445 443 Y N 2.488 122.375 120.300 -0.689 0.000 2.342 443 Y HA 0.300 4.853 4.550 0.005 0.000 0.334 443 Y C -0.940 174.641 175.900 -0.533 0.000 1.067 443 Y CA -0.622 56.832 58.100 -1.077 0.000 1.128 443 Y CB 1.635 38.958 38.460 -1.896 0.000 1.200 443 Y HN 0.590 nan 8.280 nan 0.000 0.464 444 E N 8.231 127.791 120.200 -1.067 0.000 2.101 444 E HA 0.224 4.576 4.350 0.004 0.000 0.260 444 E C -2.189 173.807 176.600 -1.006 0.000 0.897 444 E CA -1.919 54.085 56.400 -0.660 0.000 0.744 444 E CB 1.408 30.898 29.700 -0.351 0.000 1.140 444 E HN 0.544 nan 8.360 nan 0.000 0.419 445 P HA -0.263 nan 4.420 nan 0.000 0.215 445 P C 1.356 178.529 177.300 -0.212 0.000 1.153 445 P CA 1.131 63.975 63.100 -0.427 0.000 0.853 445 P CB 0.256 31.914 31.700 -0.071 0.000 0.788 446 E N 0.751 120.854 120.200 -0.161 0.000 2.097 446 E HA -0.227 4.126 4.350 0.004 0.000 0.196 446 E C 1.623 178.166 176.600 -0.095 0.000 1.000 446 E CA 1.586 57.933 56.400 -0.088 0.000 0.804 446 E CB -0.914 28.749 29.700 -0.062 0.000 0.740 446 E HN 0.279 nan 8.360 nan 0.000 0.454 447 R N 0.371 120.776 120.500 -0.157 0.000 2.334 447 R HA 0.024 4.367 4.340 0.004 0.000 0.216 447 R C -0.138 176.086 176.300 -0.127 0.000 0.905 447 R CA 0.472 56.501 56.100 -0.118 0.000 1.064 447 R CB 0.067 30.306 30.300 -0.101 0.000 1.046 447 R HN 0.044 nan 8.270 nan 0.000 0.508 448 D N 1.986 122.265 120.400 -0.201 0.000 2.740 448 D HA -0.219 4.423 4.640 0.004 0.000 0.231 448 D C -1.055 175.224 176.300 -0.035 0.000 1.194 448 D CA 1.136 55.101 54.000 -0.058 0.000 0.673 448 D CB -0.649 40.215 40.800 0.106 0.000 0.995 448 D HN 0.367 nan 8.370 nan 0.000 0.411 449 E N -0.082 119.955 120.200 -0.272 0.000 2.308 449 E HA 0.426 4.778 4.350 0.004 0.000 0.275 449 E C -0.837 175.602 176.600 -0.268 0.000 0.890 449 E CA -0.855 55.441 56.400 -0.173 0.000 0.754 449 E CB 0.920 30.537 29.700 -0.138 0.000 1.207 449 E HN 0.170 nan 8.360 nan 0.000 0.426 450 W N 2.384 123.609 121.300 -0.125 0.000 2.449 450 W HA 0.401 5.061 4.660 0.002 0.000 0.331 450 W C 0.133 176.371 176.519 -0.468 0.000 1.119 450 W CA -0.295 56.970 57.345 -0.134 0.000 1.240 450 W CB 1.124 30.559 29.460 -0.041 0.000 1.251 450 W HN 0.359 nan 8.180 nan 0.000 0.576 451 H N 2.484 121.699 119.070 0.241 0.000 2.894 451 H HA 0.338 4.897 4.556 0.005 0.000 0.367 451 H C -0.680 174.718 175.328 0.118 0.000 1.144 451 H CA -0.993 55.130 56.048 0.125 0.000 1.180 451 H CB 1.700 31.484 29.762 0.036 0.000 1.758 451 H HN 0.136 nan 8.280 nan 0.000 0.541 452 L N 2.505 123.851 121.223 0.203 0.000 2.426 452 L HA 0.181 4.524 4.340 0.004 0.000 0.271 452 L C 0.891 177.852 176.870 0.152 0.000 1.169 452 L CA -0.144 54.779 54.840 0.139 0.000 0.836 452 L CB 0.522 42.633 42.059 0.088 0.000 1.112 452 L HN 0.371 nan 8.230 nan 0.000 0.465 453 V N 0.186 120.192 119.914 0.154 0.000 3.240 453 V HA 0.806 4.929 4.120 0.004 0.000 0.306 453 V C 0.253 176.478 176.094 0.219 0.000 1.227 453 V CA -1.050 61.364 62.300 0.191 0.000 1.047 453 V CB 1.339 33.290 31.823 0.214 0.000 1.203 453 V HN 0.808 nan 8.190 nan 0.000 0.471 454 A N 2.215 125.222 122.820 0.311 0.000 2.546 454 A HA 0.498 4.820 4.320 0.004 0.000 0.243 454 A C -1.897 175.934 177.584 0.411 0.000 1.063 454 A CA -0.466 51.793 52.037 0.370 0.000 0.757 454 A CB -0.983 18.318 19.000 0.501 0.000 0.991 454 A HN 0.825 nan 8.150 nan 0.000 0.503 455 P HA 0.187 nan 4.420 nan 0.000 0.274 455 P C -0.037 177.127 177.300 -0.226 0.000 1.237 455 P CA -0.209 62.913 63.100 0.037 0.000 0.793 455 P CB 0.510 32.213 31.700 0.005 0.000 0.977 456 M N 1.137 120.344 119.600 -0.656 0.000 2.219 456 M HA 0.024 4.507 4.480 0.004 0.000 0.307 456 M C 1.729 177.777 176.300 -0.421 0.000 1.116 456 M CA 0.258 54.922 55.300 -1.060 0.000 1.181 456 M CB -0.173 31.853 32.600 -0.957 0.000 1.410 456 M HN 0.244 nan 8.290 nan 0.000 0.454 457 L N -0.159 120.886 121.223 -0.297 0.000 2.362 457 L HA -0.027 4.316 4.340 0.004 0.000 0.219 457 L C 0.479 177.286 176.870 -0.105 0.000 1.134 457 L CA 0.724 55.501 54.840 -0.105 0.000 0.807 457 L CB -0.743 41.306 42.059 -0.018 0.000 0.927 457 L HN 0.706 nan 8.230 nan 0.000 0.447 458 T N -0.584 113.876 114.554 -0.156 0.000 2.912 458 T HA 0.382 4.735 4.350 0.004 0.000 0.299 458 T C -0.241 174.382 174.700 -0.128 0.000 1.052 458 T CA -0.747 61.281 62.100 -0.120 0.000 0.996 458 T CB 2.149 70.954 68.868 -0.105 0.000 1.070 458 T HN 0.013 nan 8.240 nan 0.000 0.465 459 R N 2.031 122.473 120.500 -0.097 0.000 2.442 459 R HA 0.505 4.847 4.340 0.004 0.000 0.291 459 R C -0.054 176.207 176.300 -0.066 0.000 1.069 459 R CA -0.061 56.001 56.100 -0.064 0.000 1.022 459 R CB 0.505 30.774 30.300 -0.051 0.000 0.976 459 R HN 0.439 nan 8.270 nan 0.000 0.443 460 R N 3.144 123.633 120.500 -0.018 0.000 2.522 460 R HA 0.398 4.741 4.340 0.004 0.000 0.283 460 R C -0.743 175.602 176.300 0.076 0.000 1.074 460 R CA -0.709 55.398 56.100 0.011 0.000 0.925 460 R CB 1.580 31.874 30.300 -0.010 0.000 1.205 460 R HN 0.615 nan 8.270 nan 0.000 0.436 461 I N -2.003 118.649 120.570 0.136 0.000 2.846 461 I HA 0.787 4.960 4.170 0.004 0.000 0.307 461 I C 0.785 177.003 176.117 0.168 0.000 1.053 461 I CA -0.326 61.071 61.300 0.162 0.000 1.050 461 I CB 2.358 40.489 38.000 0.219 0.000 1.239 461 I HN 0.696 nan 8.210 nan 0.000 0.439 462 G N 3.165 112.042 108.800 0.128 0.000 2.225 462 G HA2 -0.203 3.759 3.960 0.004 0.000 0.267 462 G HA3 -0.203 3.759 3.960 0.004 0.000 0.267 462 G C -0.068 174.899 174.900 0.111 0.000 1.024 462 G CA 0.356 45.522 45.100 0.110 0.000 0.784 462 G HN 0.967 nan 8.290 nan 0.000 0.507 463 V N 0.442 120.421 119.914 0.108 0.000 2.583 463 V HA 0.733 4.855 4.120 0.004 0.000 0.287 463 V C 1.096 177.262 176.094 0.119 0.000 1.051 463 V CA 0.413 62.775 62.300 0.103 0.000 1.010 463 V CB 1.354 33.229 31.823 0.087 0.000 0.988 463 V HN 0.978 nan 8.190 nan 0.000 0.478 464 G N 5.264 114.141 108.800 0.127 0.000 2.377 464 G HA2 0.561 4.524 3.960 0.004 0.000 0.299 464 G HA3 0.561 4.524 3.960 0.004 0.000 0.299 464 G C -1.075 173.934 174.900 0.182 0.000 1.150 464 G CA -0.337 44.855 45.100 0.152 0.000 0.847 464 G HN 0.843 nan 8.290 nan 0.000 0.501 465 V N 0.712 120.743 119.914 0.194 0.000 2.789 465 V HA 0.874 4.996 4.120 0.004 0.000 0.311 465 V C 0.163 176.389 176.094 0.220 0.000 1.073 465 V CA -0.407 62.027 62.300 0.222 0.000 0.921 465 V CB 1.455 33.409 31.823 0.217 0.000 1.009 465 V HN 1.274 nan 8.190 nan 0.000 0.426 466 A N 3.341 126.309 122.820 0.246 0.000 2.594 466 A HA 0.944 5.266 4.320 0.004 0.000 0.291 466 A C -1.680 176.057 177.584 0.256 0.000 1.105 466 A CA -0.600 51.568 52.037 0.217 0.000 0.694 466 A CB 2.174 21.282 19.000 0.181 0.000 1.291 466 A HN 0.682 nan 8.150 nan 0.000 0.410 467 V N 0.869 120.903 119.914 0.200 0.000 2.540 467 V HA 0.697 4.820 4.120 0.004 0.000 0.302 467 V C -1.200 174.993 176.094 0.166 0.000 1.035 467 V CA -0.415 61.995 62.300 0.183 0.000 0.873 467 V CB 1.365 33.259 31.823 0.118 0.000 0.992 467 V HN 0.890 nan 8.190 nan 0.000 0.428 468 L N 4.871 126.217 121.223 0.205 0.000 2.464 468 L HA 0.626 4.969 4.340 0.004 0.000 0.266 468 L C 0.052 176.998 176.870 0.127 0.000 0.965 468 L CA -0.074 54.849 54.840 0.139 0.000 0.833 468 L CB 1.623 43.733 42.059 0.085 0.000 1.296 468 L HN 0.719 nan 8.230 nan 0.000 0.405 469 N N 3.557 122.301 118.700 0.074 0.000 2.727 469 N HA -0.253 4.489 4.740 0.004 0.000 0.249 469 N C -0.074 175.442 175.510 0.010 0.000 1.048 469 N CA 1.420 54.498 53.050 0.046 0.000 0.714 469 N CB -0.758 37.760 38.487 0.051 0.000 0.959 469 N HN 0.772 nan 8.380 nan 0.000 0.544 470 R N -2.263 118.242 120.500 0.009 0.000 3.516 470 R HA -0.198 4.145 4.340 0.004 0.000 0.271 470 R C -0.624 175.595 176.300 -0.135 0.000 1.098 470 R CA 1.349 57.431 56.100 -0.030 0.000 0.732 470 R CB -1.645 28.647 30.300 -0.013 0.000 1.152 470 R HN 0.443 nan 8.270 nan 0.000 0.455 471 L N 0.361 121.489 121.223 -0.159 0.000 2.381 471 L HA 0.575 4.917 4.340 0.004 0.000 0.268 471 L C -0.395 176.289 176.870 -0.310 0.000 0.997 471 L CA -1.196 53.406 54.840 -0.397 0.000 0.818 471 L CB 1.815 43.542 42.059 -0.554 0.000 1.310 471 L HN -0.054 nan 8.230 nan 0.000 0.416 472 L N 2.240 123.188 121.223 -0.457 0.000 2.317 472 L HA 0.523 4.865 4.340 0.004 0.000 0.281 472 L C -1.374 175.309 176.870 -0.313 0.000 1.024 472 L CA 0.092 54.782 54.840 -0.250 0.000 0.810 472 L CB 1.136 42.998 42.059 -0.329 0.000 1.240 472 L HN 0.292 nan 8.230 nan 0.000 0.427 473 Y N 3.695 124.038 120.300 0.071 0.000 2.377 473 Y HA 0.736 5.289 4.550 0.006 0.000 0.339 473 Y C 0.172 176.219 175.900 0.245 0.000 1.011 473 Y CA -0.696 57.501 58.100 0.162 0.000 1.093 473 Y CB 2.027 40.543 38.460 0.093 0.000 1.201 473 Y HN 0.694 nan 8.280 nan 0.000 0.455 474 A N 3.090 126.167 122.820 0.429 0.000 2.287 474 A HA 0.781 5.104 4.320 0.004 0.000 0.317 474 A C -1.423 176.290 177.584 0.214 0.000 1.220 474 A CA -0.645 51.558 52.037 0.276 0.000 0.835 474 A CB 0.615 19.697 19.000 0.136 0.000 1.180 474 A HN 0.522 nan 8.150 nan 0.000 0.500 475 V N 2.934 122.957 119.914 0.180 0.000 2.483 475 V HA 0.713 4.836 4.120 0.004 0.000 0.297 475 V C 0.947 177.084 176.094 0.073 0.000 1.027 475 V CA 0.599 62.988 62.300 0.148 0.000 0.855 475 V CB 0.614 32.562 31.823 0.209 0.000 0.995 475 V HN 2.071 nan 8.190 nan 0.000 0.424 476 G N 3.902 112.713 108.800 0.019 0.000 2.575 476 G HA2 0.335 4.297 3.960 0.004 0.000 0.267 476 G HA3 0.335 4.297 3.960 0.004 0.000 0.267 476 G C 0.559 175.485 174.900 0.042 0.000 1.264 476 G CA 0.003 45.106 45.100 0.005 0.000 0.935 476 G HN 2.532 nan 8.290 nan 0.000 0.568 477 G N -2.667 106.177 108.800 0.073 0.000 2.466 477 G HA2 0.523 4.486 3.960 0.004 0.000 0.316 477 G HA3 0.523 4.486 3.960 0.004 0.000 0.316 477 G C -0.718 174.295 174.900 0.189 0.000 1.270 477 G CA 0.231 45.402 45.100 0.118 0.000 0.982 477 G HN 2.264 nan 8.290 nan 0.000 0.506 478 F N 1.376 121.325 119.950 -0.000 0.000 2.557 478 F HA 0.600 5.130 4.527 0.005 0.000 0.316 478 F C 0.443 176.193 175.800 -0.083 0.000 1.141 478 F CA -0.546 57.436 58.000 -0.029 0.000 0.922 478 F CB 1.974 40.977 39.000 0.006 0.000 1.194 478 F HN 0.570 nan 8.300 nan 0.000 0.443 479 D N 2.111 122.116 120.400 -0.659 0.000 2.340 479 D HA 0.321 4.964 4.640 0.004 0.000 0.217 479 D C 1.461 177.109 176.300 -1.088 0.000 1.081 479 D CA 0.655 54.289 54.000 -0.611 0.000 0.842 479 D CB 0.485 41.066 40.800 -0.365 0.000 0.934 479 D HN 0.941 nan 8.370 nan 0.000 0.511 480 G N -0.652 106.990 108.800 -1.929 0.000 2.313 480 G HA2 -0.312 3.650 3.960 0.004 0.000 0.215 480 G HA3 -0.312 3.650 3.960 0.004 0.000 0.215 480 G C 1.225 175.472 174.900 -1.089 0.000 1.023 480 G CA 0.434 44.464 45.100 -1.784 0.000 0.626 480 G HN 0.384 nan 8.290 nan 0.000 0.503 481 T N 0.626 114.651 114.554 -0.883 0.000 3.114 481 T HA 0.274 4.627 4.350 0.004 0.000 0.240 481 T C 0.587 175.178 174.700 -0.181 0.000 0.983 481 T CA 0.732 62.611 62.100 -0.368 0.000 1.151 481 T CB 0.219 68.946 68.868 -0.235 0.000 0.974 481 T HN 0.365 nan 8.240 nan 0.000 0.442 482 N N 1.999 120.548 118.700 -0.251 0.000 2.269 482 N HA 0.378 5.121 4.740 0.004 0.000 0.304 482 N C -0.768 174.822 175.510 0.134 0.000 1.072 482 N CA -0.619 52.436 53.050 0.008 0.000 0.802 482 N CB 1.893 40.358 38.487 -0.038 0.000 1.348 482 N HN 0.165 nan 8.380 nan 0.000 0.484 483 R N 1.218 121.907 120.500 0.316 0.000 2.641 483 R HA 0.382 4.725 4.340 0.004 0.000 0.269 483 R C -0.109 176.240 176.300 0.082 0.000 1.074 483 R CA -0.191 56.062 56.100 0.255 0.000 1.133 483 R CB 0.468 30.861 30.300 0.155 0.000 1.029 483 R HN 0.460 nan 8.270 nan 0.000 0.488 484 L N 1.931 123.185 121.223 0.052 0.000 2.346 484 L HA 0.278 4.621 4.340 0.004 0.000 0.274 484 L C 0.971 177.817 176.870 -0.040 0.000 1.007 484 L CA -0.767 54.070 54.840 -0.004 0.000 0.818 484 L CB 1.643 43.697 42.059 -0.009 0.000 1.284 484 L HN 0.681 nan 8.230 nan 0.000 0.424 485 N N -0.677 117.981 118.700 -0.069 0.000 2.236 485 N HA -0.025 4.717 4.740 0.004 0.000 0.196 485 N C 0.324 175.752 175.510 -0.137 0.000 1.114 485 N CA -0.229 52.739 53.050 -0.135 0.000 0.859 485 N CB 0.137 38.538 38.487 -0.144 0.000 0.982 485 N HN 0.562 nan 8.380 nan 0.000 0.493 486 S N -0.235 115.426 115.700 -0.066 0.000 2.603 486 S HA 0.731 5.203 4.470 0.004 0.000 0.268 486 S C 0.069 174.672 174.600 0.005 0.000 1.317 486 S CA -0.356 57.830 58.200 -0.024 0.000 1.012 486 S CB 1.455 64.651 63.200 -0.007 0.000 0.926 486 S HN 0.514 nan 8.310 nan 0.000 0.539 487 A N 1.077 123.937 122.820 0.067 0.000 2.594 487 A HA 0.818 5.141 4.320 0.004 0.000 0.291 487 A C -0.827 176.853 177.584 0.161 0.000 1.105 487 A CA -0.938 51.176 52.037 0.128 0.000 0.694 487 A CB 1.417 20.541 19.000 0.208 0.000 1.291 487 A HN 1.036 nan 8.150 nan 0.000 0.410 488 E N -0.828 119.505 120.200 0.222 0.000 2.433 488 E HA 0.621 4.974 4.350 0.004 0.000 0.278 488 E C -1.382 175.443 176.600 0.374 0.000 0.976 488 E CA -0.809 55.766 56.400 0.291 0.000 0.793 488 E CB 1.739 31.607 29.700 0.280 0.000 1.311 488 E HN 0.937 nan 8.360 nan 0.000 0.460 489 C N 1.712 121.180 119.300 0.279 0.000 2.547 489 C HA 0.624 5.086 4.460 0.004 0.000 0.313 489 C C -1.486 173.358 174.990 -0.243 0.000 1.191 489 C CA -0.451 58.452 59.018 -0.192 0.000 1.474 489 C CB 0.442 27.919 27.740 -0.439 0.000 2.081 489 C HN 0.778 nan 8.230 nan 0.000 0.476 490 Y N 4.391 124.125 120.300 -0.943 0.000 2.341 490 Y HA 0.595 5.146 4.550 0.002 0.000 0.337 490 Y C -1.266 174.149 175.900 -0.809 0.000 1.014 490 Y CA -0.568 56.802 58.100 -1.216 0.000 1.111 490 Y CB 0.698 37.940 38.460 -2.030 0.000 1.194 490 Y HN 0.739 nan 8.280 nan 0.000 0.462 491 Y N 8.913 128.629 120.300 -0.973 0.000 2.504 491 Y HA 0.300 4.852 4.550 0.003 0.000 0.339 491 Y C -1.705 173.626 175.900 -0.949 0.000 0.974 491 Y CA -2.172 55.494 58.100 -0.724 0.000 1.232 491 Y CB 1.116 39.317 38.460 -0.432 0.000 1.108 491 Y HN 0.616 nan 8.280 nan 0.000 0.509 492 P HA -0.223 nan 4.420 nan 0.000 0.216 492 P C 1.253 178.408 177.300 -0.242 0.000 1.150 492 P CA 1.525 64.321 63.100 -0.505 0.000 0.837 492 P CB 0.351 31.984 31.700 -0.112 0.000 0.786 493 E N 0.081 120.193 120.200 -0.147 0.000 2.347 493 E HA -0.140 4.213 4.350 0.004 0.000 0.196 493 E C 1.439 177.989 176.600 -0.084 0.000 1.008 493 E CA 0.979 57.335 56.400 -0.073 0.000 0.852 493 E CB -0.467 29.212 29.700 -0.035 0.000 0.783 493 E HN 0.327 nan 8.360 nan 0.000 0.505 494 R N 0.692 121.112 120.500 -0.134 0.000 2.397 494 R HA 0.132 4.474 4.340 0.004 0.000 0.241 494 R C 0.262 176.494 176.300 -0.114 0.000 0.914 494 R CA 0.085 56.117 56.100 -0.114 0.000 1.071 494 R CB -0.194 30.029 30.300 -0.127 0.000 1.116 494 R HN 0.212 nan 8.270 nan 0.000 0.524 495 N N 2.185 120.768 118.700 -0.195 0.000 2.688 495 N HA -0.219 4.523 4.740 0.004 0.000 0.258 495 N C -1.086 174.443 175.510 0.032 0.000 1.016 495 N CA 0.584 53.605 53.050 -0.049 0.000 0.747 495 N CB -0.282 38.276 38.487 0.118 0.000 0.895 495 N HN 0.410 nan 8.380 nan 0.000 0.543 496 E N 0.619 120.701 120.200 -0.197 0.000 2.290 496 E HA 0.267 4.619 4.350 0.004 0.000 0.274 496 E C -1.281 175.300 176.600 -0.031 0.000 0.889 496 E CA -0.736 55.660 56.400 -0.006 0.000 0.760 496 E CB 0.958 30.632 29.700 -0.043 0.000 1.206 496 E HN 0.249 nan 8.360 nan 0.000 0.419 497 W N 2.867 124.285 121.300 0.197 0.000 2.438 497 W HA 0.501 5.162 4.660 0.003 0.000 0.324 497 W C 0.215 176.804 176.519 0.117 0.000 1.119 497 W CA -0.464 56.991 57.345 0.182 0.000 1.221 497 W CB 1.255 30.812 29.460 0.163 0.000 1.253 497 W HN 0.281 nan 8.180 nan 0.000 0.555 498 R N 2.485 123.205 120.500 0.367 0.000 2.673 498 R HA 0.438 4.781 4.340 0.004 0.000 0.281 498 R C -0.354 176.089 176.300 0.238 0.000 0.991 498 R CA -1.253 54.993 56.100 0.243 0.000 0.896 498 R CB 1.677 32.084 30.300 0.178 0.000 1.201 498 R HN 0.230 nan 8.270 nan 0.000 0.457 499 M N 3.727 123.435 119.600 0.179 0.000 2.249 499 M HA 0.186 4.668 4.480 0.004 0.000 0.340 499 M C 0.408 176.808 176.300 0.167 0.000 1.166 499 M CA 0.439 55.833 55.300 0.157 0.000 1.115 499 M CB -0.229 32.440 32.600 0.115 0.000 1.606 499 M HN 0.637 nan 8.290 nan 0.000 0.448 500 I N -1.377 119.295 120.570 0.169 0.000 3.217 500 I HA 0.529 4.701 4.170 0.004 0.000 0.308 500 I C 0.118 176.349 176.117 0.190 0.000 1.091 500 I CA -0.971 60.434 61.300 0.175 0.000 1.013 500 I CB 1.295 39.360 38.000 0.108 0.000 1.250 500 I HN 0.454 nan 8.210 nan 0.000 0.496 501 T N 3.836 118.548 114.554 0.264 0.000 2.866 501 T HA 0.124 4.476 4.350 0.004 0.000 0.293 501 T C -2.217 172.715 174.700 0.386 0.000 1.005 501 T CA -0.234 62.067 62.100 0.335 0.000 1.162 501 T CB -0.525 68.624 68.868 0.468 0.000 0.968 501 T HN 0.493 nan 8.240 nan 0.000 0.530 502 P HA 0.143 nan 4.420 nan 0.000 0.272 502 P C 0.166 177.304 177.300 -0.270 0.000 1.230 502 P CA -0.490 62.614 63.100 0.007 0.000 0.788 502 P CB 0.582 32.268 31.700 -0.023 0.000 0.949 503 M N 1.961 121.105 119.600 -0.759 0.000 2.184 503 M HA -0.004 4.478 4.480 0.004 0.000 0.296 503 M C 1.696 177.672 176.300 -0.540 0.000 1.165 503 M CA 0.345 54.891 55.300 -1.257 0.000 1.175 503 M CB -0.140 31.766 32.600 -1.156 0.000 1.392 503 M HN 0.303 nan 8.290 nan 0.000 0.457 504 N N 0.126 118.554 118.700 -0.452 0.000 2.494 504 N HA 0.022 4.765 4.740 0.004 0.000 0.182 504 N C -0.376 175.109 175.510 -0.042 0.000 1.076 504 N CA 0.693 53.653 53.050 -0.151 0.000 0.908 504 N CB 0.192 38.635 38.487 -0.074 0.000 0.967 504 N HN 0.556 nan 8.380 nan 0.000 0.449 505 T N 1.353 115.831 114.554 -0.127 0.000 2.861 505 T HA 0.351 4.703 4.350 0.004 0.000 0.287 505 T C 0.124 174.756 174.700 -0.114 0.000 1.003 505 T CA -0.638 61.438 62.100 -0.039 0.000 0.977 505 T CB 2.161 71.063 68.868 0.057 0.000 0.996 505 T HN -0.184 nan 8.240 nan 0.000 0.448 506 I N 3.706 124.229 120.570 -0.078 0.000 2.598 506 I HA 0.181 4.353 4.170 0.004 0.000 0.284 506 I C 0.642 176.721 176.117 -0.064 0.000 1.140 506 I CA 0.429 61.684 61.300 -0.074 0.000 1.420 506 I CB -0.291 37.674 38.000 -0.059 0.000 1.387 506 I HN 0.538 nan 8.210 nan 0.000 0.553 507 R N 3.902 124.373 120.500 -0.049 0.000 2.515 507 R HA 0.433 4.776 4.340 0.004 0.000 0.291 507 R C -0.821 175.501 176.300 0.037 0.000 1.046 507 R CA -0.562 55.532 56.100 -0.010 0.000 0.914 507 R CB 2.153 32.439 30.300 -0.022 0.000 1.191 507 R HN 0.551 nan 8.270 nan 0.000 0.435 508 S N 0.627 116.376 115.700 0.082 0.000 2.501 508 S HA 0.575 5.048 4.470 0.004 0.000 0.301 508 S C 0.782 175.449 174.600 0.110 0.000 1.096 508 S CA 0.424 58.690 58.200 0.111 0.000 1.063 508 S CB 1.423 64.702 63.200 0.131 0.000 1.042 508 S HN 0.928 nan 8.310 nan 0.000 0.494 509 G N 2.213 111.071 108.800 0.096 0.000 2.176 509 G HA2 -0.090 3.873 3.960 0.004 0.000 0.252 509 G HA3 -0.090 3.873 3.960 0.004 0.000 0.252 509 G C 0.266 175.222 174.900 0.093 0.000 1.024 509 G CA 0.133 45.286 45.100 0.087 0.000 0.755 509 G HN 1.207 nan 8.290 nan 0.000 0.507 510 A N -0.464 122.411 122.820 0.093 0.000 2.287 510 A HA 0.814 5.137 4.320 0.004 0.000 0.273 510 A C 1.059 178.710 177.584 0.112 0.000 1.091 510 A CA 0.469 52.561 52.037 0.091 0.000 0.817 510 A CB 0.717 19.764 19.000 0.077 0.000 1.069 510 A HN 1.780 nan 8.150 nan 0.000 0.492 511 G N -0.598 108.275 108.800 0.122 0.000 2.325 511 G HA2 0.517 4.479 3.960 0.004 0.000 0.298 511 G HA3 0.517 4.479 3.960 0.004 0.000 0.298 511 G C -0.838 174.168 174.900 0.177 0.000 1.134 511 G CA -0.159 45.032 45.100 0.150 0.000 0.876 511 G HN 0.719 nan 8.290 nan 0.000 0.452 512 V N 2.294 122.319 119.914 0.185 0.000 2.487 512 V HA 0.636 4.759 4.120 0.004 0.000 0.298 512 V C 0.253 176.471 176.094 0.207 0.000 1.028 512 V CA -0.594 61.833 62.300 0.211 0.000 0.860 512 V CB 0.965 32.911 31.823 0.205 0.000 0.991 512 V HN 1.238 nan 8.190 nan 0.000 0.427 513 C N 3.372 122.806 119.300 0.224 0.000 3.336 513 C HA 0.912 5.375 4.460 0.004 0.000 0.339 513 C C -0.953 174.154 174.990 0.196 0.000 1.468 513 C CA -0.719 58.411 59.018 0.187 0.000 1.287 513 C CB 1.405 29.238 27.740 0.155 0.000 1.682 513 C HN 0.565 nan 8.230 nan 0.000 0.451 514 V N 1.437 121.437 119.914 0.144 0.000 2.540 514 V HA 0.691 4.814 4.120 0.004 0.000 0.302 514 V C -0.610 175.527 176.094 0.072 0.000 1.035 514 V CA -0.385 61.994 62.300 0.132 0.000 0.873 514 V CB 1.551 33.430 31.823 0.094 0.000 0.992 514 V HN 0.861 nan 8.190 nan 0.000 0.428 515 L N 4.654 125.931 121.223 0.090 0.000 2.441 515 L HA 0.584 4.926 4.340 0.004 0.000 0.270 515 L C 0.325 177.178 176.870 -0.028 0.000 0.973 515 L CA -0.175 54.596 54.840 -0.115 0.000 0.842 515 L CB 1.284 43.179 42.059 -0.275 0.000 1.239 515 L HN 1.017 nan 8.230 nan 0.000 0.406 516 H N 1.554 120.673 119.070 0.082 0.000 1.452 516 H HA -0.343 4.216 4.556 0.004 0.000 0.090 516 H C 0.352 175.704 175.328 0.040 0.000 0.648 516 H CA 1.358 57.439 56.048 0.056 0.000 1.901 516 H CB -0.568 29.225 29.762 0.053 0.000 2.257 516 H HN 0.641 nan 8.280 nan 0.000 0.961 517 N N 1.064 119.862 118.700 0.163 0.000 2.313 517 N HA 0.197 4.939 4.740 0.004 0.000 0.207 517 N C -1.496 173.997 175.510 -0.029 0.000 1.141 517 N CA 0.364 53.438 53.050 0.041 0.000 0.830 517 N CB 0.461 38.948 38.487 -0.001 0.000 1.008 517 N HN 0.326 nan 8.380 nan 0.000 0.481 518 C N 0.285 119.592 119.300 0.012 0.000 2.498 518 C HA 0.530 4.993 4.460 0.004 0.000 0.316 518 C C 0.097 175.072 174.990 -0.026 0.000 1.209 518 C CA -1.267 57.695 59.018 -0.093 0.000 1.518 518 C CB 0.803 28.458 27.740 -0.141 0.000 2.147 518 C HN 0.197 nan 8.230 nan 0.000 0.483 519 I N 3.148 123.620 120.570 -0.163 0.000 2.304 519 I HA 0.269 4.441 4.170 0.004 0.000 0.291 519 I C -0.723 175.384 176.117 -0.016 0.000 1.018 519 I CA -0.121 61.142 61.300 -0.063 0.000 1.260 519 I CB 0.318 38.183 38.000 -0.226 0.000 1.390 519 I HN 0.549 nan 8.210 nan 0.000 0.475 520 Y N 4.680 125.027 120.300 0.078 0.000 2.310 520 Y HA 0.600 5.152 4.550 0.004 0.000 0.326 520 Y C 0.457 176.489 175.900 0.221 0.000 1.151 520 Y CA -0.625 57.564 58.100 0.148 0.000 1.195 520 Y CB 1.631 40.145 38.460 0.090 0.000 1.210 520 Y HN 0.571 nan 8.280 nan 0.000 0.483 521 A N 2.285 125.328 122.820 0.371 0.000 2.332 521 A HA 0.839 5.162 4.320 0.004 0.000 0.300 521 A C -1.051 176.648 177.584 0.191 0.000 1.153 521 A CA -0.550 51.635 52.037 0.247 0.000 0.764 521 A CB 0.262 19.345 19.000 0.139 0.000 1.174 521 A HN 0.776 nan 8.150 nan 0.000 0.467 522 A N 2.263 125.190 122.820 0.179 0.000 2.318 522 A HA 0.878 5.201 4.320 0.004 0.000 0.324 522 A C 0.887 178.505 177.584 0.056 0.000 1.170 522 A CA 0.336 52.451 52.037 0.129 0.000 0.810 522 A CB 0.387 19.484 19.000 0.162 0.000 1.198 522 A HN 2.843 nan 8.150 nan 0.000 0.484 523 G N 1.245 110.045 108.800 0.001 0.000 2.569 523 G HA2 0.466 4.428 3.960 0.004 0.000 0.259 523 G HA3 0.466 4.428 3.960 0.004 0.000 0.259 523 G C 1.218 176.140 174.900 0.036 0.000 1.263 523 G CA 0.617 45.710 45.100 -0.012 0.000 0.928 523 G HN 3.126 nan 8.290 nan 0.000 0.572 524 G N -2.751 106.088 108.800 0.066 0.000 2.483 524 G HA2 0.486 4.449 3.960 0.004 0.000 0.521 524 G HA3 0.486 4.449 3.960 0.004 0.000 0.521 524 G C -0.885 174.116 174.900 0.168 0.000 1.278 524 G CA 0.363 45.524 45.100 0.102 0.000 0.965 524 G HN 2.357 nan 8.290 nan 0.000 0.504 525 Y N 1.377 121.679 120.300 0.003 0.000 2.406 525 Y HA 0.558 5.110 4.550 0.004 0.000 0.340 525 Y C 0.536 176.430 175.900 -0.010 0.000 0.975 525 Y CA -0.371 57.727 58.100 -0.004 0.000 1.056 525 Y CB 1.908 40.356 38.460 -0.020 0.000 1.210 525 Y HN 0.678 nan 8.280 nan 0.000 0.448 526 D N 2.036 122.143 120.400 -0.489 0.000 2.363 526 D HA 0.245 4.888 4.640 0.004 0.000 0.214 526 D C 1.446 177.470 176.300 -0.460 0.000 1.093 526 D CA 0.587 54.379 54.000 -0.347 0.000 0.837 526 D CB 0.311 40.986 40.800 -0.209 0.000 0.948 526 D HN 0.946 nan 8.370 nan 0.000 0.507 527 G N 0.037 108.277 108.800 -0.933 0.000 2.213 527 G HA2 -0.303 3.660 3.960 0.004 0.000 0.236 527 G HA3 -0.303 3.660 3.960 0.004 0.000 0.236 527 G C 0.975 175.568 174.900 -0.512 0.000 0.991 527 G CA 0.388 45.140 45.100 -0.580 0.000 0.629 527 G HN 0.414 nan 8.290 nan 0.000 0.517 528 Q N -1.126 118.293 119.800 -0.635 0.000 2.427 528 Q HA 0.218 4.561 4.340 0.004 0.000 0.249 528 Q C -0.495 175.440 176.000 -0.108 0.000 0.783 528 Q CA 0.404 56.072 55.803 -0.225 0.000 0.978 528 Q CB 1.307 29.961 28.738 -0.139 0.000 1.273 528 Q HN 0.401 nan 8.270 nan 0.000 0.524 529 D N 0.120 120.391 120.400 -0.215 0.000 2.661 529 D HA 0.236 4.878 4.640 0.004 0.000 0.228 529 D C -1.337 175.066 176.300 0.172 0.000 1.183 529 D CA -0.434 53.600 54.000 0.057 0.000 0.844 529 D CB 1.609 42.423 40.800 0.024 0.000 1.555 529 D HN -0.237 nan 8.370 nan 0.000 0.453 530 Q N 0.596 120.583 119.800 0.313 0.000 2.364 530 Q HA 0.496 4.839 4.340 0.004 0.000 0.267 530 Q C -0.507 175.636 176.000 0.239 0.000 0.999 530 Q CA 0.244 56.213 55.803 0.276 0.000 0.886 530 Q CB 0.792 29.618 28.738 0.147 0.000 1.243 530 Q HN 0.353 nan 8.270 nan 0.000 0.415 531 L N 2.001 123.295 121.223 0.118 0.000 2.331 531 L HA 0.421 4.764 4.340 0.004 0.000 0.275 531 L C 0.788 177.521 176.870 -0.228 0.000 1.022 531 L CA -0.694 54.129 54.840 -0.028 0.000 0.812 531 L CB 1.182 43.229 42.059 -0.020 0.000 1.257 531 L HN 0.756 nan 8.230 nan 0.000 0.435 532 N N -0.701 117.669 118.700 -0.549 0.000 2.205 532 N HA -0.020 4.722 4.740 0.004 0.000 0.201 532 N C 0.223 175.553 175.510 -0.301 0.000 1.128 532 N CA -0.219 52.518 53.050 -0.521 0.000 0.867 532 N CB 0.221 38.236 38.487 -0.787 0.000 0.996 532 N HN 0.567 nan 8.380 nan 0.000 0.503 533 S N -0.014 115.584 115.700 -0.171 0.000 2.592 533 S HA 0.555 5.027 4.470 0.004 0.000 0.271 533 S C -0.029 174.628 174.600 0.095 0.000 1.326 533 S CA -0.550 57.651 58.200 0.002 0.000 1.024 533 S CB 1.443 64.689 63.200 0.077 0.000 0.921 533 S HN -0.024 nan 8.310 nan 0.000 0.527 534 V N 2.778 122.828 119.914 0.226 0.000 2.623 534 V HA 0.552 4.675 4.120 0.004 0.000 0.304 534 V C -0.457 175.775 176.094 0.230 0.000 1.054 534 V CA -0.703 61.731 62.300 0.223 0.000 0.882 534 V CB 1.519 33.513 31.823 0.286 0.000 1.002 534 V HN 1.092 nan 8.190 nan 0.000 0.424 535 E N 4.685 124.948 120.200 0.106 0.000 2.336 535 E HA 0.852 5.205 4.350 0.004 0.000 0.267 535 E C -1.073 175.586 176.600 0.099 0.000 0.906 535 E CA -1.320 55.066 56.400 -0.024 0.000 0.781 535 E CB 3.050 32.541 29.700 -0.348 0.000 1.261 535 E HN 0.710 nan 8.360 nan 0.000 0.436 536 R N 0.758 121.247 120.500 -0.019 0.000 2.673 536 R HA 0.416 4.758 4.340 0.004 0.000 0.281 536 R C -1.774 174.302 176.300 -0.373 0.000 0.991 536 R CA -1.017 54.897 56.100 -0.310 0.000 0.896 536 R CB 1.214 30.944 30.300 -0.951 0.000 1.201 536 R HN 0.659 nan 8.270 nan 0.000 0.457 537 Y N 2.118 121.837 120.300 -0.969 0.000 2.335 537 Y HA 0.224 4.777 4.550 0.004 0.000 0.339 537 Y C -0.637 174.850 175.900 -0.687 0.000 0.987 537 Y CA -0.761 56.584 58.100 -1.258 0.000 1.140 537 Y CB 1.395 38.643 38.460 -2.021 0.000 1.173 537 Y HN 0.708 nan 8.280 nan 0.000 0.486 538 D N 5.855 125.734 120.400 -0.869 0.000 2.339 538 D HA 0.046 4.689 4.640 0.004 0.000 0.241 538 D C 1.267 177.032 176.300 -0.892 0.000 1.183 538 D CA 0.117 53.727 54.000 -0.649 0.000 0.859 538 D CB 1.327 41.870 40.800 -0.428 0.000 1.067 538 D HN 0.632 nan 8.370 nan 0.000 0.484 539 V N 2.418 121.986 119.914 -0.577 0.000 2.568 539 V HA -0.153 3.970 4.120 0.004 0.000 0.253 539 V C 1.586 177.527 176.094 -0.255 0.000 1.072 539 V CA 1.182 63.261 62.300 -0.369 0.000 1.084 539 V CB -0.278 31.523 31.823 -0.036 0.000 0.676 539 V HN 0.336 nan 8.190 nan 0.000 0.469 540 E N 1.664 121.726 120.200 -0.230 0.000 2.112 540 E HA -0.077 4.275 4.350 0.004 0.000 0.190 540 E C 2.465 178.972 176.600 -0.155 0.000 0.979 540 E CA 1.965 58.282 56.400 -0.138 0.000 0.814 540 E CB -0.512 29.127 29.700 -0.102 0.000 0.762 540 E HN 0.918 nan 8.360 nan 0.000 0.460 541 T N -2.143 112.269 114.554 -0.236 0.000 3.065 541 T HA 0.077 4.430 4.350 0.004 0.000 0.252 541 T C 0.439 175.008 174.700 -0.217 0.000 1.099 541 T CA 0.268 62.254 62.100 -0.190 0.000 1.063 541 T CB -0.028 68.730 68.868 -0.183 0.000 0.948 541 T HN 0.127 nan 8.240 nan 0.000 0.506 542 E N 1.505 121.467 120.200 -0.397 0.000 2.586 542 E HA -0.178 4.175 4.350 0.004 0.000 0.259 542 E C -0.146 176.336 176.600 -0.198 0.000 1.107 542 E CA 0.724 56.921 56.400 -0.339 0.000 0.754 542 E CB -2.409 27.306 29.700 0.024 0.000 1.335 542 E HN 0.864 nan 8.360 nan 0.000 0.411 543 T N -3.284 111.045 114.554 -0.376 0.000 2.908 543 T HA 0.617 4.969 4.350 0.004 0.000 0.290 543 T C -0.602 173.981 174.700 -0.195 0.000 1.034 543 T CA -0.851 61.177 62.100 -0.120 0.000 1.010 543 T CB 1.238 70.070 68.868 -0.060 0.000 1.068 543 T HN 0.243 nan 8.240 nan 0.000 0.481 544 W N 0.902 122.201 121.300 -0.001 0.000 2.520 544 W HA 0.611 5.273 4.660 0.004 0.000 0.323 544 W C -0.157 176.260 176.519 -0.170 0.000 1.062 544 W CA -0.368 56.931 57.345 -0.077 0.000 1.215 544 W CB 2.185 31.588 29.460 -0.095 0.000 1.340 544 W HN 0.714 nan 8.180 nan 0.000 0.516 545 T N 3.358 117.922 114.554 0.017 0.000 2.916 545 T HA 0.415 4.768 4.350 0.004 0.000 0.298 545 T C -0.878 173.775 174.700 -0.079 0.000 1.031 545 T CA -0.758 61.328 62.100 -0.023 0.000 0.993 545 T CB 0.810 69.677 68.868 -0.001 0.000 1.045 545 T HN -0.049 nan 8.240 nan 0.000 0.454 546 F N 2.370 122.375 119.950 0.092 0.000 2.459 546 F HA 0.466 4.996 4.527 0.005 0.000 0.346 546 F C 1.069 176.921 175.800 0.087 0.000 1.128 546 F CA -0.222 57.828 58.000 0.083 0.000 1.268 546 F CB 0.618 39.656 39.000 0.064 0.000 1.161 546 F HN 0.371 nan 8.300 nan 0.000 0.583 547 V N -0.140 119.952 119.914 0.297 0.000 3.285 547 V HA 0.892 5.015 4.120 0.004 0.000 0.302 547 V C 0.059 176.335 176.094 0.303 0.000 1.247 547 V CA -1.371 61.088 62.300 0.265 0.000 1.035 547 V CB 0.686 32.647 31.823 0.229 0.000 1.223 547 V HN 0.891 nan 8.190 nan 0.000 0.475 548 A N 2.103 125.139 122.820 0.360 0.000 2.511 548 A HA 0.575 4.898 4.320 0.004 0.000 0.242 548 A C -2.003 175.844 177.584 0.438 0.000 1.069 548 A CA -0.717 51.555 52.037 0.392 0.000 0.763 548 A CB -0.920 18.372 19.000 0.487 0.000 1.001 548 A HN 0.815 nan 8.150 nan 0.000 0.498 549 P HA 0.239 nan 4.420 nan 0.000 0.276 549 P C -0.159 176.986 177.300 -0.258 0.000 1.252 549 P CA -0.319 62.781 63.100 0.001 0.000 0.802 549 P CB 0.547 32.202 31.700 -0.076 0.000 1.035 550 M N 1.524 120.709 119.600 -0.691 0.000 2.232 550 M HA 0.098 4.581 4.480 0.004 0.000 0.321 550 M C 1.998 178.064 176.300 -0.389 0.000 1.101 550 M CA -0.023 54.686 55.300 -0.984 0.000 1.181 550 M CB 0.262 32.283 32.600 -0.964 0.000 1.432 550 M HN 0.244 nan 8.290 nan 0.000 0.457 551 R N 0.357 120.724 120.500 -0.221 0.000 2.092 551 R HA -0.017 4.325 4.340 0.004 0.000 0.231 551 R C 0.094 176.266 176.300 -0.214 0.000 1.119 551 R CA 1.290 57.309 56.100 -0.134 0.000 0.970 551 R CB -0.631 29.637 30.300 -0.053 0.000 0.864 551 R HN 0.623 nan 8.270 nan 0.000 0.440 552 H N -0.131 118.878 119.070 -0.103 0.000 2.459 552 H HA 0.266 4.825 4.556 0.004 0.000 0.332 552 H C -0.196 175.092 175.328 -0.067 0.000 1.094 552 H CA -0.483 55.545 56.048 -0.032 0.000 1.224 552 H CB 0.862 30.604 29.762 -0.033 0.000 1.449 552 H HN 0.064 nan 8.280 nan 0.000 0.484 553 H N 3.737 122.797 119.070 -0.015 0.000 2.964 553 H HA 0.172 4.731 4.556 0.004 0.000 0.328 553 H C 0.315 175.628 175.328 -0.024 0.000 1.030 553 H CA 0.333 56.358 56.048 -0.038 0.000 1.445 553 H CB 0.674 30.406 29.762 -0.050 0.000 1.449 553 H HN 0.669 nan 8.280 nan 0.000 0.581 554 R N 1.094 121.624 120.500 0.051 0.000 2.594 554 R HA 0.487 4.829 4.340 0.004 0.000 0.265 554 R C -1.699 174.631 176.300 0.049 0.000 1.070 554 R CA -0.857 55.260 56.100 0.030 0.000 0.909 554 R CB 1.626 31.932 30.300 0.009 0.000 1.243 554 R HN 0.459 nan 8.270 nan 0.000 0.455 555 S N 1.096 116.838 115.700 0.071 0.000 2.570 555 S HA 0.638 5.110 4.470 0.004 0.000 0.286 555 S C -0.131 174.523 174.600 0.091 0.000 1.099 555 S CA 0.230 58.486 58.200 0.094 0.000 0.913 555 S CB 1.683 64.957 63.200 0.123 0.000 1.085 555 S HN 1.669 nan 8.310 nan 0.000 0.480 556 A N 1.647 124.516 122.820 0.082 0.000 2.739 556 A HA -0.156 4.167 4.320 0.004 0.000 0.296 556 A C 0.104 177.752 177.584 0.106 0.000 1.488 556 A CA 1.327 53.414 52.037 0.084 0.000 0.746 556 A CB -2.705 16.334 19.000 0.064 0.000 1.047 556 A HN 1.370 nan 8.150 nan 0.000 0.477 557 L N -2.458 118.827 121.223 0.102 0.000 2.416 557 L HA 0.900 5.242 4.340 0.004 0.000 0.262 557 L C 0.778 177.725 176.870 0.128 0.000 1.093 557 L CA -0.351 54.554 54.840 0.108 0.000 0.801 557 L CB 0.944 43.056 42.059 0.088 0.000 1.191 557 L HN 0.564 nan 8.230 nan 0.000 0.459 558 G N 0.790 109.675 108.800 0.143 0.000 2.412 558 G HA2 0.646 4.609 3.960 0.004 0.000 0.318 558 G HA3 0.646 4.609 3.960 0.004 0.000 0.318 558 G C -1.206 173.802 174.900 0.180 0.000 1.146 558 G CA -0.613 44.584 45.100 0.162 0.000 0.882 558 G HN 0.764 nan 8.290 nan 0.000 0.501 559 I N -0.145 120.539 120.570 0.190 0.000 2.802 559 I HA 0.714 4.887 4.170 0.004 0.000 0.298 559 I C -0.593 175.650 176.117 0.211 0.000 1.176 559 I CA -0.422 61.006 61.300 0.213 0.000 1.025 559 I CB 2.603 40.726 38.000 0.205 0.000 1.243 559 I HN 0.711 nan 8.210 nan 0.000 0.424 560 T N 4.277 118.973 114.554 0.237 0.000 2.739 560 T HA 0.568 4.920 4.350 0.004 0.000 0.303 560 T C -1.875 172.975 174.700 0.250 0.000 1.389 560 T CA -0.326 61.903 62.100 0.215 0.000 1.001 560 T CB 1.641 70.621 68.868 0.186 0.000 1.436 560 T HN 0.270 nan 8.240 nan 0.000 0.500 561 V N 2.574 122.616 119.914 0.212 0.000 2.513 561 V HA 0.708 4.830 4.120 0.004 0.000 0.299 561 V C -0.942 175.321 176.094 0.280 0.000 1.035 561 V CA -0.511 61.916 62.300 0.211 0.000 0.889 561 V CB 1.508 33.389 31.823 0.096 0.000 0.988 561 V HN 0.976 nan 8.190 nan 0.000 0.440 562 H N 2.954 122.158 119.070 0.222 0.000 2.966 562 H HA 0.357 4.915 4.556 0.004 0.000 0.347 562 H C -0.319 175.117 175.328 0.181 0.000 1.048 562 H CA -0.481 55.662 56.048 0.158 0.000 1.295 562 H CB 1.167 30.955 29.762 0.043 0.000 1.744 562 H HN 0.679 nan 8.280 nan 0.000 0.513 563 Q N 3.838 123.425 119.800 -0.356 0.000 2.451 563 Q HA -0.215 4.128 4.340 0.004 0.000 0.305 563 Q C 0.817 176.750 176.000 -0.112 0.000 1.345 563 Q CA 1.136 56.760 55.803 -0.298 0.000 0.854 563 Q CB -1.523 26.922 28.738 -0.488 0.000 1.162 563 Q HN 1.330 nan 8.270 nan 0.000 0.440 564 G N -0.381 108.383 108.800 -0.061 0.000 2.153 564 G HA2 -0.335 3.628 3.960 0.004 0.000 0.252 564 G HA3 -0.335 3.628 3.960 0.004 0.000 0.252 564 G C -0.055 174.766 174.900 -0.132 0.000 0.994 564 G CA 0.879 45.936 45.100 -0.071 0.000 0.698 564 G HN 0.317 nan 8.290 nan 0.000 0.521 565 K N -0.408 119.939 120.400 -0.088 0.000 2.375 565 K HA 0.647 4.970 4.320 0.004 0.000 0.249 565 K C -0.016 176.517 176.600 -0.111 0.000 0.942 565 K CA -1.163 55.017 56.287 -0.179 0.000 0.806 565 K CB 1.658 34.014 32.500 -0.241 0.000 1.227 565 K HN 0.015 nan 8.250 nan 0.000 0.430 566 I N 2.636 123.074 120.570 -0.220 0.000 2.396 566 I HA 0.227 4.400 4.170 0.004 0.000 0.292 566 I C -0.524 175.557 176.117 -0.059 0.000 0.999 566 I CA -0.365 60.889 61.300 -0.076 0.000 1.310 566 I CB 0.302 38.210 38.000 -0.153 0.000 1.404 566 I HN 0.488 nan 8.210 nan 0.000 0.496 567 Y N 4.377 124.766 120.300 0.148 0.000 2.364 567 Y HA 0.480 5.033 4.550 0.004 0.000 0.340 567 Y C 0.198 176.240 175.900 0.238 0.000 0.975 567 Y CA -0.998 57.226 58.100 0.207 0.000 1.089 567 Y CB 1.996 40.555 38.460 0.165 0.000 1.192 567 Y HN 0.352 nan 8.280 nan 0.000 0.454 568 V N 2.238 122.396 119.914 0.407 0.000 2.513 568 V HA 0.776 4.899 4.120 0.004 0.000 0.299 568 V C -1.069 175.155 176.094 0.216 0.000 1.035 568 V CA -1.008 61.459 62.300 0.278 0.000 0.889 568 V CB 1.583 33.522 31.823 0.194 0.000 0.988 568 V HN 0.574 nan 8.190 nan 0.000 0.440 569 L N 5.675 127.005 121.223 0.178 0.000 2.376 569 L HA 0.906 5.249 4.340 0.004 0.000 0.275 569 L C 0.870 177.807 176.870 0.111 0.000 0.987 569 L CA 1.006 55.940 54.840 0.156 0.000 0.828 569 L CB 1.228 43.405 42.059 0.196 0.000 1.249 569 L HN 1.360 nan 8.230 nan 0.000 0.409 570 G N 2.407 111.245 108.800 0.063 0.000 2.564 570 G HA2 0.270 4.233 3.960 0.004 0.000 0.273 570 G HA3 0.270 4.233 3.960 0.004 0.000 0.273 570 G C 0.305 175.243 174.900 0.064 0.000 1.242 570 G CA 0.011 45.143 45.100 0.053 0.000 0.951 570 G HN 1.736 nan 8.290 nan 0.000 0.564 571 G N -2.917 105.952 108.800 0.115 0.000 2.434 571 G HA2 0.488 4.450 3.960 0.004 0.000 0.671 571 G HA3 0.488 4.450 3.960 0.004 0.000 0.671 571 G C -0.854 174.117 174.900 0.119 0.000 1.280 571 G CA 0.315 45.486 45.100 0.118 0.000 0.975 571 G HN 2.340 nan 8.290 nan 0.000 0.510 572 Y N 1.353 121.594 120.300 -0.098 0.000 2.376 572 Y HA 0.582 5.135 4.550 0.004 0.000 0.340 572 Y C 0.565 176.375 175.900 -0.151 0.000 0.965 572 Y CA -0.412 57.526 58.100 -0.270 0.000 1.078 572 Y CB 1.928 40.136 38.460 -0.419 0.000 1.193 572 Y HN 0.658 nan 8.280 nan 0.000 0.452 573 D N 2.639 122.640 120.400 -0.666 0.000 2.424 573 D HA 0.228 4.871 4.640 0.004 0.000 0.220 573 D C 1.377 177.321 176.300 -0.594 0.000 1.150 573 D CA 0.357 54.097 54.000 -0.434 0.000 0.831 573 D CB 0.072 40.776 40.800 -0.159 0.000 0.981 573 D HN 0.980 nan 8.370 nan 0.000 0.500 574 G N 0.063 108.091 108.800 -1.288 0.000 2.199 574 G HA2 -0.357 3.605 3.960 0.004 0.000 0.254 574 G HA3 -0.357 3.605 3.960 0.004 0.000 0.254 574 G C 0.731 175.389 174.900 -0.403 0.000 0.982 574 G CA 0.626 45.292 45.100 -0.724 0.000 0.632 574 G HN 0.583 nan 8.290 nan 0.000 0.529 575 H N -1.008 117.704 119.070 -0.596 0.000 2.627 575 H HA 0.223 4.782 4.556 0.004 0.000 0.211 575 H C 0.035 175.308 175.328 -0.091 0.000 0.873 575 H CA 1.232 57.156 56.048 -0.208 0.000 0.969 575 H CB 1.253 30.931 29.762 -0.139 0.000 1.328 575 H HN 0.324 nan 8.280 nan 0.000 0.423 576 T N 0.885 115.322 114.554 -0.195 0.000 2.893 576 T HA 0.320 4.673 4.350 0.004 0.000 0.291 576 T C -1.127 173.536 174.700 -0.061 0.000 1.028 576 T CA -0.540 61.535 62.100 -0.041 0.000 0.995 576 T CB 1.685 70.568 68.868 0.024 0.000 1.051 576 T HN 0.040 nan 8.240 nan 0.000 0.470 577 F N 2.431 122.508 119.950 0.212 0.000 2.438 577 F HA 0.361 4.891 4.527 0.004 0.000 0.360 577 F C 0.585 176.403 175.800 0.030 0.000 1.118 577 F CA -0.887 57.239 58.000 0.211 0.000 1.164 577 F CB -0.015 39.172 39.000 0.311 0.000 1.131 577 F HN 0.209 nan 8.300 nan 0.000 0.527 578 L N 4.198 125.483 121.223 0.103 0.000 2.416 578 L HA 0.104 4.447 4.340 0.004 0.000 0.272 578 L C 0.996 177.844 176.870 -0.037 0.000 1.161 578 L CA -0.216 54.613 54.840 -0.019 0.000 0.845 578 L CB 0.572 42.572 42.059 -0.098 0.000 1.119 578 L HN 0.587 nan 8.230 nan 0.000 0.464 579 D N -0.636 119.710 120.400 -0.091 0.000 2.360 579 D HA -0.053 4.590 4.640 0.004 0.000 0.210 579 D C 0.952 177.195 176.300 -0.095 0.000 1.047 579 D CA -0.124 53.813 54.000 -0.105 0.000 0.854 579 D CB 0.172 40.891 40.800 -0.135 0.000 0.936 579 D HN 0.322 nan 8.370 nan 0.000 0.514 580 S N 0.419 116.027 115.700 -0.152 0.000 2.544 580 S HA 0.190 4.663 4.470 0.004 0.000 0.290 580 S C -0.123 174.442 174.600 -0.059 0.000 1.276 580 S CA -0.536 57.560 58.200 -0.173 0.000 1.075 580 S CB 0.226 63.099 63.200 -0.545 0.000 0.849 580 S HN 0.059 nan 8.310 nan 0.000 0.494 581 V N 6.325 126.253 119.914 0.024 0.000 2.370 581 V HA 0.471 4.594 4.120 0.004 0.000 0.283 581 V C 0.114 176.294 176.094 0.143 0.000 1.023 581 V CA -0.594 61.765 62.300 0.099 0.000 0.857 581 V CB 1.352 33.229 31.823 0.089 0.000 0.985 581 V HN 0.912 nan 8.190 nan 0.000 0.443 582 E N 2.308 122.633 120.200 0.207 0.000 2.244 582 E HA 0.587 4.939 4.350 0.004 0.000 0.266 582 E C -1.273 175.527 176.600 0.333 0.000 0.914 582 E CA -0.560 56.016 56.400 0.293 0.000 0.794 582 E CB 2.462 32.364 29.700 0.337 0.000 1.210 582 E HN 0.692 nan 8.360 nan 0.000 0.414 583 C N 3.052 122.482 119.300 0.218 0.000 2.396 583 C HA 0.455 4.917 4.460 0.004 0.000 0.321 583 C C -1.240 173.626 174.990 -0.206 0.000 1.233 583 C CA -0.551 58.357 59.018 -0.184 0.000 1.440 583 C CB -0.282 27.202 27.740 -0.427 0.000 2.110 583 C HN 0.863 nan 8.230 nan 0.000 0.473 584 Y N 4.640 124.476 120.300 -0.774 0.000 2.328 584 Y HA 0.470 5.023 4.550 0.004 0.000 0.337 584 Y C -0.045 175.453 175.900 -0.670 0.000 1.008 584 Y CA 0.083 57.484 58.100 -1.165 0.000 1.129 584 Y CB 0.655 37.941 38.460 -1.956 0.000 1.185 584 Y HN 0.764 nan 8.280 nan 0.000 0.476 585 D N 8.847 128.626 120.400 -1.036 0.000 2.373 585 D HA 0.249 4.891 4.640 0.004 0.000 0.227 585 D C -1.963 173.692 176.300 -1.075 0.000 1.091 585 D CA -2.730 50.806 54.000 -0.775 0.000 0.840 585 D CB 1.903 42.432 40.800 -0.453 0.000 1.060 585 D HN 0.333 nan 8.370 nan 0.000 0.502 586 P HA -0.065 nan 4.420 nan 0.000 0.221 586 P C 0.580 177.752 177.300 -0.212 0.000 1.150 586 P CA 0.551 63.396 63.100 -0.425 0.000 0.800 586 P CB 0.689 32.365 31.700 -0.039 0.000 0.787 587 D N 0.428 120.715 120.400 -0.188 0.000 2.097 587 D HA -0.109 4.534 4.640 0.004 0.000 0.195 587 D C 2.038 178.271 176.300 -0.113 0.000 0.989 587 D CA 1.963 55.900 54.000 -0.105 0.000 0.827 587 D CB -0.494 40.253 40.800 -0.090 0.000 0.966 587 D HN 0.284 nan 8.370 nan 0.000 0.456 588 S N -0.463 115.131 115.700 -0.176 0.000 2.535 588 S HA 0.005 4.478 4.470 0.004 0.000 0.214 588 S C 0.427 174.946 174.600 -0.136 0.000 0.980 588 S CA 0.427 58.547 58.200 -0.134 0.000 0.907 588 S CB 0.404 63.527 63.200 -0.128 0.000 0.790 588 S HN 0.038 nan 8.310 nan 0.000 0.510 589 D N 1.679 121.936 120.400 -0.239 0.000 2.689 589 D HA -0.152 4.491 4.640 0.004 0.000 0.237 589 D C -0.144 176.142 176.300 -0.022 0.000 1.148 589 D CA 1.366 55.304 54.000 -0.102 0.000 0.656 589 D CB -1.578 39.293 40.800 0.119 0.000 1.050 589 D HN 0.748 nan 8.370 nan 0.000 0.426 590 T N -2.833 111.572 114.554 -0.249 0.000 2.893 590 T HA 0.668 5.021 4.350 0.004 0.000 0.291 590 T C -0.287 174.345 174.700 -0.114 0.000 1.028 590 T CA -0.962 61.110 62.100 -0.047 0.000 0.995 590 T CB 0.978 69.830 68.868 -0.027 0.000 1.051 590 T HN 0.196 nan 8.240 nan 0.000 0.470 591 W N 1.341 122.728 121.300 0.145 0.000 2.469 591 W HA 0.661 5.323 4.660 0.004 0.000 0.320 591 W C 0.134 176.689 176.519 0.060 0.000 1.086 591 W CA -0.336 57.088 57.345 0.131 0.000 1.211 591 W CB 1.934 31.488 29.460 0.157 0.000 1.298 591 W HN 0.715 nan 8.180 nan 0.000 0.525 592 S N 1.690 117.547 115.700 0.261 0.000 2.568 592 S HA 0.348 4.821 4.470 0.004 0.000 0.293 592 S C -0.771 173.945 174.600 0.194 0.000 1.089 592 S CA -1.068 57.237 58.200 0.175 0.000 0.945 592 S CB 1.668 64.919 63.200 0.085 0.000 1.077 592 S HN 0.294 nan 8.310 nan 0.000 0.485 593 E N 1.885 122.184 120.200 0.166 0.000 2.290 593 E HA 0.152 4.505 4.350 0.004 0.000 0.277 593 E C 0.800 177.479 176.600 0.132 0.000 1.035 593 E CA -0.083 56.411 56.400 0.157 0.000 0.873 593 E CB 1.218 31.007 29.700 0.149 0.000 1.029 593 E HN 0.508 nan 8.360 nan 0.000 0.419 594 V N 0.111 120.105 119.914 0.133 0.000 3.455 594 V HA 0.268 4.390 4.120 0.004 0.000 0.250 594 V C 0.800 176.966 176.094 0.120 0.000 1.230 594 V CA 0.563 62.950 62.300 0.144 0.000 1.105 594 V CB 1.047 32.999 31.823 0.215 0.000 0.850 594 V HN 0.561 nan 8.190 nan 0.000 0.461 595 T N -0.180 114.413 114.554 0.066 0.000 2.686 595 T HA 0.462 4.815 4.350 0.004 0.000 0.308 595 T C -1.841 172.909 174.700 0.083 0.000 1.667 595 T CA -0.667 61.470 62.100 0.063 0.000 0.987 595 T CB 1.953 70.743 68.868 -0.131 0.000 1.652 595 T HN 0.449 nan 8.240 nan 0.000 0.496 596 R N 1.451 122.033 120.500 0.138 0.000 2.599 596 R HA 0.585 4.927 4.340 0.004 0.000 0.295 596 R C 0.136 176.438 176.300 0.003 0.000 0.963 596 R CA -0.857 55.272 56.100 0.048 0.000 0.883 596 R CB 1.681 31.978 30.300 -0.005 0.000 1.171 596 R HN 0.589 nan 8.270 nan 0.000 0.450 597 M N 1.059 120.560 119.600 -0.164 0.000 2.245 597 M HA -0.047 4.436 4.480 0.004 0.000 0.312 597 M C 1.755 177.696 176.300 -0.599 0.000 1.070 597 M CA 0.620 55.544 55.300 -0.626 0.000 1.162 597 M CB 0.400 32.748 32.600 -0.421 0.000 1.448 597 M HN 0.758 nan 8.290 nan 0.000 0.446 598 T N -2.467 111.599 114.554 -0.813 0.000 2.929 598 T HA -0.023 4.330 4.350 0.004 0.000 0.271 598 T C 0.529 175.016 174.700 -0.355 0.000 1.085 598 T CA 0.846 62.636 62.100 -0.518 0.000 1.125 598 T CB -0.357 68.199 68.868 -0.521 0.000 0.874 598 T HN 0.779 nan 8.240 nan 0.000 0.494 599 S N -1.144 114.355 115.700 -0.334 0.000 2.552 599 S HA 0.626 5.099 4.470 0.004 0.000 0.272 599 S C -0.160 174.287 174.600 -0.254 0.000 1.150 599 S CA -0.801 57.231 58.200 -0.281 0.000 0.849 599 S CB 1.098 64.145 63.200 -0.255 0.000 1.113 599 S HN 0.546 nan 8.310 nan 0.000 0.458 600 G N 0.831 109.446 108.800 -0.309 0.000 2.483 600 G HA2 0.591 4.554 3.960 0.004 0.000 0.248 600 G HA3 0.591 4.554 3.960 0.004 0.000 0.248 600 G C -0.177 174.652 174.900 -0.119 0.000 1.248 600 G CA -0.635 44.350 45.100 -0.192 0.000 0.838 600 G HN 1.135 nan 8.290 nan 0.000 0.566 601 R N -0.753 119.817 120.500 0.116 0.000 2.753 601 R HA 0.556 4.898 4.340 0.004 0.000 0.272 601 R C -0.941 175.561 176.300 0.336 0.000 1.034 601 R CA -0.696 55.552 56.100 0.247 0.000 0.869 601 R CB 0.560 30.938 30.300 0.129 0.000 1.264 601 R HN 0.815 nan 8.270 nan 0.000 0.481 602 S N -0.495 115.470 115.700 0.442 0.000 2.677 602 S HA 0.723 5.196 4.470 0.004 0.000 0.304 602 S C 0.753 175.494 174.600 0.235 0.000 1.108 602 S CA -0.173 58.228 58.200 0.336 0.000 0.944 602 S CB 1.682 65.114 63.200 0.387 0.000 1.127 602 S HN 1.826 nan 8.310 nan 0.000 0.511 603 G N -0.204 108.693 108.800 0.162 0.000 2.198 603 G HA2 -0.189 3.774 3.960 0.004 0.000 0.260 603 G HA3 -0.189 3.774 3.960 0.004 0.000 0.260 603 G C 0.149 175.118 174.900 0.115 0.000 1.025 603 G CA 0.164 45.335 45.100 0.118 0.000 0.769 603 G HN 1.909 nan 8.290 nan 0.000 0.507 604 V N -1.702 118.290 119.914 0.130 0.000 3.083 604 V HA 0.884 5.006 4.120 0.004 0.000 0.306 604 V C 1.030 177.204 176.094 0.134 0.000 1.077 604 V CA -0.134 62.243 62.300 0.128 0.000 1.073 604 V CB 1.656 33.566 31.823 0.145 0.000 1.081 604 V HN 1.248 nan 8.190 nan 0.000 0.474 605 G N 1.228 110.112 108.800 0.140 0.000 2.348 605 G HA2 0.598 4.560 3.960 0.004 0.000 0.312 605 G HA3 0.598 4.560 3.960 0.004 0.000 0.312 605 G C -0.979 174.034 174.900 0.189 0.000 1.126 605 G CA -0.551 44.645 45.100 0.160 0.000 0.865 605 G HN 0.995 nan 8.290 nan 0.000 0.474 606 V N 0.637 120.666 119.914 0.192 0.000 2.789 606 V HA 0.906 5.029 4.120 0.004 0.000 0.311 606 V C 0.202 176.415 176.094 0.198 0.000 1.073 606 V CA -0.289 62.135 62.300 0.207 0.000 0.921 606 V CB 1.310 33.252 31.823 0.198 0.000 1.009 606 V HN 1.324 nan 8.190 nan 0.000 0.426 607 A N 3.200 126.145 122.820 0.208 0.000 2.581 607 A HA 0.930 5.253 4.320 0.004 0.000 0.290 607 A C -1.755 175.943 177.584 0.191 0.000 1.119 607 A CA -0.573 51.570 52.037 0.176 0.000 0.670 607 A CB 1.922 21.010 19.000 0.148 0.000 1.280 607 A HN 0.729 nan 8.150 nan 0.000 0.425 608 V N 0.362 120.366 119.914 0.150 0.000 2.540 608 V HA 0.847 4.970 4.120 0.004 0.000 0.302 608 V C 0.164 176.329 176.094 0.118 0.000 1.035 608 V CA 0.187 62.577 62.300 0.149 0.000 0.873 608 V CB 1.370 33.260 31.823 0.110 0.000 0.992 608 V HN 1.278 nan 8.190 nan 0.000 0.428 609 T N 3.879 118.529 114.554 0.160 0.000 2.648 609 T HA 0.470 4.823 4.350 0.004 0.000 0.304 609 T C -0.557 174.241 174.700 0.164 0.000 1.312 609 T CA -0.683 61.471 62.100 0.090 0.000 1.023 609 T CB 1.496 70.333 68.868 -0.052 0.000 1.612 609 T HN 0.825 nan 8.240 nan 0.000 0.487 610 M N 1.407 121.064 119.600 0.096 0.000 2.252 610 M HA 0.388 4.871 4.480 0.004 0.000 0.329 610 M C 0.106 176.501 176.300 0.159 0.000 1.101 610 M CA 0.110 55.463 55.300 0.089 0.000 1.117 610 M CB -0.145 32.478 32.600 0.039 0.000 1.563 610 M HN 0.503 nan 8.290 nan 0.000 0.445 611 E N 2.693 122.946 120.200 0.088 0.000 2.437 611 E HA 0.123 4.475 4.350 0.004 0.000 0.263 611 E C -2.147 174.514 176.600 0.101 0.000 1.030 611 E CA -1.234 55.209 56.400 0.071 0.000 0.934 611 E CB -0.162 29.534 29.700 -0.007 0.000 0.943 611 E HN 0.541 nan 8.360 nan 0.000 0.444 612 P HA 0.194 nan 4.420 nan 0.000 0.345 612 P C -0.380 176.946 177.300 0.043 0.000 1.344 612 P CA -0.354 62.809 63.100 0.103 0.000 0.803 612 P CB 0.573 32.389 31.700 0.195 0.000 1.876 613 C N 0.000 119.322 119.300 0.036 0.000 2.653 613 C HA 0.000 4.463 4.460 0.004 0.000 0.325 613 C CA 0.000 59.028 59.018 0.017 0.000 1.963 613 C CB 0.000 27.741 27.740 0.001 0.000 2.134 613 C HN 0.000 nan 8.230 nan 0.000 0.568