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 2fts_1_A DATA FIRST_RESID 318 DATA SEQUENCE MSPFPLTSMD KAFITVLEMT PVLGTEIINY RDGMGRVLAQ DVYAKDNLPP DATA SEQUENCE FPASVKDGYA VRAADGPGDR FIIGESQAGE QPTQTVMPGQ VMRVTTGAPI DATA SEQUENCE PCGADAVVQV EDTELIRESD DGTEELEVRI LVQARPGQDI RPIGHDIKRG DATA SEQUENCE ECVLAKGTHM GPSEIGLLAT VGVTEVEVNK FPVVAVMSTG NELLNPEDDL DATA SEQUENCE LPGKIRDSNR STLLATIQEH GYPTINLGIV GDNPDDLLNA LNEGISRADV DATA SEQUENCE IITSGGVSMG EKDYLKQVLD IDLHAQIHFG RVFMKPGLPT TFATLDIDGV DATA SEQUENCE RKIIFALPGN PVSAVVTCNL FVVPALRKMQ GILDPRPTII KARLSCDVKL DATA SEQUENCE DPRPEYHRCI LTWHHQEPLP WAQSTGNQMS SRLMSMRSAN GLLMLPPKTE DATA SEQUENCE QYVELHKGEV VDVMVIGRL 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 318 M HA 0.000 nan 4.480 nan 0.000 0.227 318 M C 0.000 175.839 176.300 -0.769 0.000 1.140 318 M CA 0.000 54.753 55.300 -0.911 0.000 0.988 318 M CB 0.000 32.400 32.600 -0.333 0.000 1.302 319 S N 1.351 116.650 115.700 -0.668 0.000 3.585 319 S HA -0.094 4.368 4.470 -0.013 0.000 0.638 319 S C -2.932 171.419 174.600 -0.414 0.000 2.340 319 S CA -0.202 57.776 58.200 -0.371 0.000 2.517 319 S CB -1.636 61.432 63.200 -0.219 0.000 0.329 319 S HN 0.663 nan 8.310 nan 0.000 1.795 320 P HA 0.088 nan 4.420 nan 0.000 0.252 320 P C 0.069 177.312 177.300 -0.096 0.000 1.136 320 P CA 0.834 63.902 63.100 -0.054 0.000 0.778 320 P CB -0.463 31.228 31.700 -0.016 0.000 0.722 321 F N 5.429 125.388 119.950 0.015 0.000 2.514 321 F HA 0.160 4.678 4.527 -0.015 0.000 0.309 321 F C -0.956 174.875 175.800 0.052 0.000 1.279 321 F CA -1.248 56.767 58.000 0.025 0.000 1.304 321 F CB -0.922 38.088 39.000 0.017 0.000 1.223 321 F HN 0.278 nan 8.300 nan 0.000 0.563 322 P HA 0.134 nan 4.420 nan 0.000 0.276 322 P C -0.934 176.484 177.300 0.197 0.000 1.235 322 P CA -0.239 62.974 63.100 0.189 0.000 0.772 322 P CB 0.988 32.804 31.700 0.193 0.000 0.871 323 L N 4.131 125.435 121.223 0.135 0.000 2.319 323 L HA 0.374 4.706 4.340 -0.013 0.000 0.280 323 L C -0.118 176.803 176.870 0.084 0.000 1.099 323 L CA 0.906 55.820 54.840 0.123 0.000 0.828 323 L CB 0.370 42.488 42.059 0.098 0.000 1.150 323 L HN 0.384 nan 8.230 nan 0.000 0.442 324 T N 2.457 117.046 114.554 0.058 0.000 2.916 324 T HA 0.561 4.904 4.350 -0.013 0.000 0.292 324 T C -0.344 174.360 174.700 0.007 0.000 1.064 324 T CA -0.430 61.659 62.100 -0.019 0.000 1.011 324 T CB 1.548 70.304 68.868 -0.188 0.000 1.152 324 T HN 0.741 nan 8.240 nan 0.000 0.510 325 S N 1.278 116.981 115.700 0.004 0.000 2.652 325 S HA 0.306 4.768 4.470 -0.013 0.000 0.270 325 S C 1.562 176.197 174.600 0.059 0.000 1.243 325 S CA -0.826 57.419 58.200 0.074 0.000 0.999 325 S CB 0.456 63.691 63.200 0.057 0.000 0.973 325 S HN 0.518 nan 8.310 nan 0.000 0.544 326 M N 1.203 120.887 119.600 0.140 0.000 2.082 326 M HA -0.133 4.339 4.480 -0.013 0.000 0.258 326 M C 1.439 177.840 176.300 0.169 0.000 1.069 326 M CA 1.746 57.155 55.300 0.181 0.000 1.102 326 M CB -1.643 31.065 32.600 0.180 0.000 1.336 326 M HN 0.751 nan 8.290 nan 0.000 0.404 327 D N -0.296 120.171 120.400 0.113 0.000 2.117 327 D HA -0.143 4.489 4.640 -0.013 0.000 0.198 327 D C 1.981 178.368 176.300 0.144 0.000 0.982 327 D CA 1.179 55.251 54.000 0.119 0.000 0.828 327 D CB -0.142 40.698 40.800 0.067 0.000 0.967 327 D HN 0.188 nan 8.370 nan 0.000 0.464 328 K N 1.381 121.824 120.400 0.071 0.000 2.026 328 K HA -0.034 4.279 4.320 -0.013 0.000 0.208 328 K C 1.870 178.463 176.600 -0.011 0.000 1.048 328 K CA 1.523 57.830 56.287 0.034 0.000 0.929 328 K CB -0.571 31.932 32.500 0.005 0.000 0.713 328 K HN -0.014 nan 8.250 nan 0.000 0.439 329 A N 0.111 122.843 122.820 -0.148 0.000 1.892 329 A HA -0.172 4.140 4.320 -0.013 0.000 0.218 329 A C 2.271 179.864 177.584 0.015 0.000 1.188 329 A CA 1.789 53.553 52.037 -0.454 0.000 0.631 329 A CB -1.044 17.421 19.000 -0.891 0.000 0.822 329 A HN 0.500 nan 8.150 nan 0.000 0.447 330 F N 0.334 120.369 119.950 0.141 0.000 2.102 330 F HA -0.159 4.360 4.527 -0.013 0.000 0.298 330 F C 2.036 177.875 175.800 0.065 0.000 1.105 330 F CA 1.918 60.041 58.000 0.204 0.000 1.239 330 F CB -0.153 38.924 39.000 0.130 0.000 0.991 330 F HN 0.177 nan 8.300 nan 0.000 0.474 331 I N -0.396 120.233 120.570 0.098 0.000 2.286 331 I HA -0.314 3.848 4.170 -0.013 0.000 0.248 331 I C 2.172 178.240 176.117 -0.082 0.000 1.115 331 I CA 1.678 62.968 61.300 -0.018 0.000 1.392 331 I CB -0.730 37.308 38.000 0.064 0.000 1.065 331 I HN 0.178 nan 8.210 nan 0.000 0.418 332 T N 0.268 114.801 114.554 -0.035 0.000 2.737 332 T HA -0.117 4.225 4.350 -0.013 0.000 0.265 332 T C 2.045 176.647 174.700 -0.164 0.000 1.038 332 T CA 1.195 63.285 62.100 -0.017 0.000 1.144 332 T CB -0.309 68.656 68.868 0.161 0.000 0.866 332 T HN 0.087 nan 8.240 nan 0.000 0.434 333 V N 1.698 121.398 119.914 -0.357 0.000 2.255 333 V HA -0.161 3.951 4.120 -0.013 0.000 0.247 333 V C 2.535 178.400 176.094 -0.381 0.000 1.051 333 V CA 1.616 63.465 62.300 -0.752 0.000 1.018 333 V CB -0.716 30.767 31.823 -0.566 0.000 0.641 333 V HN 0.429 nan 8.190 nan 0.000 0.445 334 L N -0.476 120.535 121.223 -0.352 0.000 2.017 334 L HA -0.210 4.122 4.340 -0.013 0.000 0.208 334 L C 2.609 179.388 176.870 -0.152 0.000 1.073 334 L CA 1.877 56.553 54.840 -0.273 0.000 0.745 334 L CB -0.695 41.148 42.059 -0.359 0.000 0.894 334 L HN 0.398 nan 8.230 nan 0.000 0.432 335 E N -0.519 119.605 120.200 -0.126 0.000 2.153 335 E HA -0.184 4.158 4.350 -0.013 0.000 0.194 335 E C 2.043 178.609 176.600 -0.058 0.000 0.988 335 E CA 0.940 57.296 56.400 -0.073 0.000 0.811 335 E CB 0.029 29.697 29.700 -0.054 0.000 0.746 335 E HN 0.412 nan 8.360 nan 0.000 0.466 336 M N 0.320 119.885 119.600 -0.058 0.000 2.502 336 M HA 0.061 4.533 4.480 -0.013 0.000 0.243 336 M C 0.447 176.764 176.300 0.028 0.000 1.130 336 M CA 0.629 55.908 55.300 -0.034 0.000 1.055 336 M CB 0.199 32.741 32.600 -0.097 0.000 1.457 336 M HN -0.192 nan 8.290 nan 0.000 0.488 337 T N 4.090 118.655 114.554 0.018 0.000 2.771 337 T HA 0.366 4.708 4.350 -0.013 0.000 0.291 337 T C -2.260 172.438 174.700 -0.004 0.000 0.954 337 T CA -1.045 61.072 62.100 0.027 0.000 1.045 337 T CB 1.583 70.459 68.868 0.014 0.000 0.917 337 T HN 0.128 nan 8.240 nan 0.000 0.484 338 P HA 0.359 nan 4.420 nan 0.000 0.279 338 P C -0.744 176.551 177.300 -0.010 0.000 1.252 338 P CA -0.555 62.541 63.100 -0.007 0.000 0.811 338 P CB 0.817 32.515 31.700 -0.004 0.000 1.035 339 V N 2.969 122.878 119.914 -0.009 0.000 2.498 339 V HA 0.116 4.228 4.120 -0.013 0.000 0.279 339 V C 1.049 177.144 176.094 0.002 0.000 1.048 339 V CA -0.363 61.933 62.300 -0.006 0.000 0.967 339 V CB 0.293 32.113 31.823 -0.004 0.000 0.988 339 V HN 0.373 nan 8.190 nan 0.000 0.473 340 L N 3.607 124.834 121.223 0.008 0.000 2.472 340 L HA 0.427 4.759 4.340 -0.013 0.000 0.260 340 L C 1.379 178.259 176.870 0.017 0.000 1.209 340 L CA 0.233 55.082 54.840 0.015 0.000 0.817 340 L CB 0.147 42.222 42.059 0.027 0.000 1.106 340 L HN 0.788 nan 8.230 nan 0.000 0.479 341 G N -0.204 108.605 108.800 0.015 0.000 2.570 341 G HA2 0.402 4.354 3.960 -0.013 0.000 0.276 341 G HA3 0.402 4.354 3.960 -0.013 0.000 0.276 341 G C -0.185 174.723 174.900 0.014 0.000 1.346 341 G CA 0.065 45.172 45.100 0.012 0.000 1.034 341 G HN 0.672 nan 8.290 nan 0.000 0.512 342 T N -2.645 111.914 114.554 0.009 0.000 2.949 342 T HA 0.721 5.063 4.350 -0.013 0.000 0.287 342 T C -0.493 174.207 174.700 -0.001 0.000 1.034 342 T CA -0.522 61.581 62.100 0.004 0.000 1.018 342 T CB 2.116 70.987 68.868 0.004 0.000 1.135 342 T HN 0.876 nan 8.240 nan 0.000 0.532 343 E N 0.451 120.645 120.200 -0.009 0.000 2.430 343 E HA 0.548 4.890 4.350 -0.013 0.000 0.279 343 E C -1.488 175.103 176.600 -0.016 0.000 1.003 343 E CA -1.168 55.224 56.400 -0.012 0.000 0.801 343 E CB 1.445 31.134 29.700 -0.019 0.000 1.313 343 E HN 0.626 nan 8.360 nan 0.000 0.459 344 I N 2.349 122.913 120.570 -0.011 0.000 2.353 344 I HA 0.415 4.577 4.170 -0.013 0.000 0.293 344 I C 0.098 176.207 176.117 -0.013 0.000 0.992 344 I CA -0.791 60.505 61.300 -0.007 0.000 1.268 344 I CB 0.904 38.905 38.000 0.003 0.000 1.387 344 I HN 0.486 nan 8.210 nan 0.000 0.478 345 I N 2.963 123.525 120.570 -0.013 0.000 3.002 345 I HA 0.492 4.654 4.170 -0.013 0.000 0.310 345 I C -0.461 175.665 176.117 0.015 0.000 1.087 345 I CA -0.912 60.377 61.300 -0.018 0.000 1.017 345 I CB 1.910 39.877 38.000 -0.056 0.000 1.226 345 I HN 0.486 nan 8.210 nan 0.000 0.443 346 N N 1.938 120.644 118.700 0.010 0.000 2.518 346 N HA 0.020 4.752 4.740 -0.013 0.000 0.266 346 N C 0.687 176.217 175.510 0.034 0.000 1.196 346 N CA 0.021 53.101 53.050 0.050 0.000 0.947 346 N CB 0.863 39.347 38.487 -0.006 0.000 1.098 346 N HN 0.862 nan 8.380 nan 0.000 0.450 347 Y N 3.013 123.302 120.300 -0.018 0.000 2.315 347 Y HA -0.071 4.471 4.550 -0.013 0.000 0.288 347 Y C 1.824 177.714 175.900 -0.017 0.000 1.154 347 Y CA 0.759 58.848 58.100 -0.018 0.000 1.229 347 Y CB -0.141 38.311 38.460 -0.013 0.000 0.980 347 Y HN 0.465 nan 8.280 nan 0.000 0.540 348 R N 0.468 120.534 120.500 -0.723 0.000 2.189 348 R HA -0.077 4.256 4.340 -0.013 0.000 0.218 348 R C 0.461 176.613 176.300 -0.247 0.000 1.074 348 R CA 1.127 56.887 56.100 -0.565 0.000 0.991 348 R CB -0.144 29.825 30.300 -0.553 0.000 0.883 348 R HN 0.448 nan 8.270 nan 0.000 0.457 349 D N -0.325 119.969 120.400 -0.177 0.000 2.325 349 D HA 0.039 4.671 4.640 -0.013 0.000 0.225 349 D C 1.298 177.544 176.300 -0.090 0.000 1.096 349 D CA 0.285 54.219 54.000 -0.110 0.000 0.844 349 D CB 0.604 41.344 40.800 -0.100 0.000 0.925 349 D HN 0.291 nan 8.370 nan 0.000 0.513 350 G N 0.107 108.868 108.800 -0.065 0.000 2.920 350 G HA2 -0.044 3.909 3.960 -0.013 0.000 0.208 350 G HA3 -0.044 3.909 3.960 -0.013 0.000 0.208 350 G C 0.869 175.779 174.900 0.017 0.000 1.159 350 G CA -0.195 44.891 45.100 -0.023 0.000 0.784 350 G HN 0.081 nan 8.290 nan 0.000 0.535 351 M N 0.931 120.542 119.600 0.018 0.000 2.269 351 M HA 0.227 4.699 4.480 -0.013 0.000 0.350 351 M C 1.552 177.949 176.300 0.162 0.000 1.429 351 M CA 1.010 56.341 55.300 0.051 0.000 1.063 351 M CB 0.221 32.837 32.600 0.026 0.000 1.841 351 M HN 0.364 nan 8.290 nan 0.000 0.455 352 G N 3.259 112.155 108.800 0.160 0.000 2.162 352 G HA2 -0.224 3.729 3.960 -0.013 0.000 0.260 352 G HA3 -0.224 3.729 3.960 -0.013 0.000 0.260 352 G C 0.314 175.558 174.900 0.573 0.000 0.976 352 G CA -0.032 45.273 45.100 0.341 0.000 0.655 352 G HN 0.557 nan 8.290 nan 0.000 0.533 353 R N -0.484 120.236 120.500 0.367 0.000 2.528 353 R HA 0.654 4.986 4.340 -0.013 0.000 0.271 353 R C 0.054 176.521 176.300 0.278 0.000 1.056 353 R CA -0.770 55.495 56.100 0.276 0.000 1.117 353 R CB 1.143 31.461 30.300 0.030 0.000 1.085 353 R HN 0.181 nan 8.270 nan 0.000 0.530 354 V N 3.324 123.351 119.914 0.190 0.000 2.384 354 V HA 0.268 4.381 4.120 -0.013 0.000 0.287 354 V C 0.601 176.739 176.094 0.074 0.000 1.020 354 V CA -0.772 61.609 62.300 0.136 0.000 0.850 354 V CB 1.547 33.422 31.823 0.086 0.000 0.987 354 V HN 0.492 nan 8.190 nan 0.000 0.436 355 L N 3.964 125.222 121.223 0.058 0.000 2.540 355 L HA 0.117 4.449 4.340 -0.013 0.000 0.276 355 L C 1.287 178.165 176.870 0.013 0.000 1.212 355 L CA 0.341 55.195 54.840 0.023 0.000 0.893 355 L CB 0.747 42.809 42.059 0.004 0.000 1.138 355 L HN 0.828 nan 8.230 nan 0.000 0.491 356 A N 3.893 126.715 122.820 0.004 0.000 2.387 356 A HA 0.214 4.526 4.320 -0.013 0.000 0.234 356 A C 0.276 177.856 177.584 -0.008 0.000 1.253 356 A CA -0.094 51.945 52.037 0.002 0.000 0.894 356 A CB 0.082 19.086 19.000 0.005 0.000 0.963 356 A HN 0.809 nan 8.150 nan 0.000 0.508 357 Q N -1.046 118.739 119.800 -0.025 0.000 2.511 357 Q HA 0.515 4.847 4.340 -0.013 0.000 0.289 357 Q C -2.008 173.930 176.000 -0.103 0.000 1.021 357 Q CA -1.073 54.703 55.803 -0.046 0.000 0.785 357 Q CB 0.947 29.663 28.738 -0.036 0.000 1.472 357 Q HN 0.027 nan 8.270 nan 0.000 0.411 358 D N 0.862 121.157 120.400 -0.176 0.000 2.302 358 D HA 0.358 4.991 4.640 -0.013 0.000 0.248 358 D C -0.739 175.231 176.300 -0.550 0.000 1.094 358 D CA -0.212 53.572 54.000 -0.360 0.000 0.897 358 D CB 1.878 42.404 40.800 -0.457 0.000 1.200 358 D HN 0.301 nan 8.370 nan 0.000 0.429 359 V N 3.309 122.932 119.914 -0.485 0.000 2.370 359 V HA 0.276 4.388 4.120 -0.013 0.000 0.283 359 V C -0.665 175.182 176.094 -0.412 0.000 1.023 359 V CA -0.632 61.449 62.300 -0.364 0.000 0.857 359 V CB 0.409 32.136 31.823 -0.160 0.000 0.985 359 V HN 0.375 nan 8.190 nan 0.000 0.443 360 Y N 2.232 122.525 120.300 -0.012 0.000 2.446 360 Y HA 0.720 5.262 4.550 -0.013 0.000 0.338 360 Y C 0.617 176.504 175.900 -0.021 0.000 1.055 360 Y CA -0.928 57.163 58.100 -0.015 0.000 1.101 360 Y CB 1.571 40.024 38.460 -0.013 0.000 1.221 360 Y HN 0.677 nan 8.280 nan 0.000 0.460 361 A N 2.494 125.400 122.820 0.144 0.000 2.440 361 A HA 0.246 4.558 4.320 -0.013 0.000 0.251 361 A C 0.705 178.321 177.584 0.053 0.000 1.089 361 A CA -0.635 51.440 52.037 0.062 0.000 0.779 361 A CB 0.247 19.266 19.000 0.031 0.000 1.022 361 A HN 0.954 nan 8.150 nan 0.000 0.492 362 K N 1.040 121.455 120.400 0.026 0.000 2.358 362 K HA 0.201 4.513 4.320 -0.013 0.000 0.197 362 K C -0.861 175.739 176.600 0.001 0.000 1.025 362 K CA 0.064 56.359 56.287 0.013 0.000 1.104 362 K CB 0.366 32.873 32.500 0.011 0.000 0.855 362 K HN 0.652 nan 8.250 nan 0.000 0.531 363 D N 0.864 121.262 120.400 -0.004 0.000 2.596 363 D HA 0.198 4.830 4.640 -0.013 0.000 0.234 363 D C -1.116 175.172 176.300 -0.019 0.000 1.181 363 D CA -0.728 53.265 54.000 -0.012 0.000 0.856 363 D CB 1.350 42.140 40.800 -0.016 0.000 1.498 363 D HN -0.071 nan 8.370 nan 0.000 0.446 364 N N 0.950 119.634 118.700 -0.026 0.000 2.458 364 N HA 0.304 5.036 4.740 -0.013 0.000 0.270 364 N C -0.647 174.824 175.510 -0.066 0.000 1.102 364 N CA -0.342 52.687 53.050 -0.036 0.000 0.967 364 N CB 1.333 39.802 38.487 -0.030 0.000 1.078 364 N HN 0.303 nan 8.380 nan 0.000 0.471 365 L N 5.086 126.267 121.223 -0.069 0.000 2.313 365 L HA 0.558 4.891 4.340 -0.013 0.000 0.283 365 L C -2.434 174.382 176.870 -0.091 0.000 1.013 365 L CA -1.912 52.866 54.840 -0.103 0.000 0.816 365 L CB 1.749 43.763 42.059 -0.076 0.000 1.236 365 L HN 0.365 nan 8.230 nan 0.000 0.419 366 P HA 0.231 nan 4.420 nan 0.000 0.271 366 P C -2.489 174.599 177.300 -0.354 0.000 1.218 366 P CA -1.357 61.526 63.100 -0.362 0.000 0.780 366 P CB 0.389 31.795 31.700 -0.491 0.000 0.901 367 P HA 0.019 nan 4.420 nan 0.000 0.236 367 P C -0.077 177.181 177.300 -0.070 0.000 1.177 367 P CA 0.983 63.974 63.100 -0.181 0.000 0.773 367 P CB -0.068 31.594 31.700 -0.064 0.000 0.878 368 F N -1.607 118.349 119.950 0.010 0.000 2.603 368 F HA 0.794 5.313 4.527 -0.013 0.000 0.317 368 F C -3.043 172.761 175.800 0.006 0.000 1.066 368 F CA -3.908 54.096 58.000 0.007 0.000 0.941 368 F CB -0.166 38.836 39.000 0.003 0.000 1.291 368 F HN -0.402 nan 8.300 nan 0.000 0.472 369 P HA 0.356 nan 4.420 nan 0.000 0.276 369 P C -1.151 176.337 177.300 0.313 0.000 1.235 369 P CA 0.118 63.314 63.100 0.160 0.000 0.772 369 P CB 1.266 33.031 31.700 0.108 0.000 0.871 370 A N 2.592 125.522 122.820 0.184 0.000 2.374 370 A HA 0.532 4.844 4.320 -0.013 0.000 0.317 370 A C 0.146 177.790 177.584 0.101 0.000 1.094 370 A CA -0.708 51.477 52.037 0.247 0.000 0.765 370 A CB 1.160 20.282 19.000 0.204 0.000 1.268 370 A HN 0.463 nan 8.150 nan 0.000 0.438 371 S N 0.418 116.172 115.700 0.090 0.000 2.562 371 S HA 0.253 4.715 4.470 -0.013 0.000 0.281 371 S C 0.746 175.355 174.600 0.015 0.000 1.333 371 S CA -0.271 57.949 58.200 0.032 0.000 1.052 371 S CB 0.583 63.790 63.200 0.012 0.000 0.884 371 S HN 0.809 nan 8.310 nan 0.000 0.506 372 V N 4.598 124.507 119.914 -0.008 0.000 3.650 372 V HA 0.301 4.413 4.120 -0.013 0.000 0.271 372 V C 0.617 176.703 176.094 -0.015 0.000 1.281 372 V CA 0.838 63.128 62.300 -0.018 0.000 1.120 372 V CB -0.525 31.277 31.823 -0.036 0.000 0.856 372 V HN 0.712 nan 8.190 nan 0.000 0.443 373 K N -0.506 119.883 120.400 -0.018 0.000 2.533 373 K HA 0.378 4.690 4.320 -0.013 0.000 0.272 373 K C -1.524 175.049 176.600 -0.046 0.000 0.985 373 K CA -0.908 55.364 56.287 -0.025 0.000 0.876 373 K CB 1.887 34.375 32.500 -0.020 0.000 1.452 373 K HN -0.089 nan 8.250 nan 0.000 0.439 374 D N 0.794 121.159 120.400 -0.057 0.000 2.348 374 D HA 0.423 5.055 4.640 -0.013 0.000 0.253 374 D C 0.328 176.547 176.300 -0.135 0.000 1.161 374 D CA 0.693 54.634 54.000 -0.098 0.000 0.876 374 D CB 1.599 42.352 40.800 -0.078 0.000 1.160 374 D HN 0.740 nan 8.370 nan 0.000 0.459 375 G N 1.162 109.807 108.800 -0.258 0.000 2.513 375 G HA2 0.136 4.088 3.960 -0.013 0.000 0.182 375 G HA3 0.136 4.088 3.960 -0.013 0.000 0.182 375 G C -1.905 172.609 174.900 -0.645 0.000 1.190 375 G CA -0.738 44.151 45.100 -0.353 0.000 0.987 375 G HN 0.340 nan 8.290 nan 0.000 0.479 376 Y N 0.763 121.063 120.300 -0.000 0.000 2.391 376 Y HA 0.693 5.235 4.550 -0.013 0.000 0.341 376 Y C 0.594 176.496 175.900 0.004 0.000 0.965 376 Y CA -0.202 57.899 58.100 0.001 0.000 1.067 376 Y CB 2.356 40.816 38.460 -0.000 0.000 1.199 376 Y HN 0.814 nan 8.280 nan 0.000 0.450 377 A N 2.963 125.860 122.820 0.128 0.000 2.409 377 A HA 0.631 4.944 4.320 -0.013 0.000 0.267 377 A C -0.623 177.022 177.584 0.102 0.000 1.127 377 A CA -0.218 51.870 52.037 0.085 0.000 0.795 377 A CB 0.122 19.154 19.000 0.054 0.000 1.061 377 A HN 0.572 nan 8.150 nan 0.000 0.502 378 V N 3.274 123.234 119.914 0.077 0.000 3.078 378 V HA 0.445 4.557 4.120 -0.013 0.000 0.311 378 V C -0.075 176.044 176.094 0.043 0.000 1.138 378 V CA -0.877 61.461 62.300 0.063 0.000 1.007 378 V CB 2.380 34.242 31.823 0.064 0.000 1.045 378 V HN 0.979 nan 8.190 nan 0.000 0.432 379 R N 1.628 122.149 120.500 0.035 0.000 2.221 379 R HA 0.531 4.863 4.340 -0.013 0.000 0.327 379 R C 1.015 177.328 176.300 0.022 0.000 1.033 379 R CA 0.233 56.349 56.100 0.027 0.000 0.887 379 R CB 1.393 31.708 30.300 0.025 0.000 1.057 379 R HN 0.897 nan 8.270 nan 0.000 0.455 380 A N 3.358 126.190 122.820 0.020 0.000 1.883 380 A HA -0.225 4.087 4.320 -0.013 0.000 0.217 380 A C 2.127 179.719 177.584 0.013 0.000 1.186 380 A CA 2.024 54.071 52.037 0.016 0.000 0.624 380 A CB -0.536 18.473 19.000 0.015 0.000 0.822 380 A HN 0.827 nan 8.150 nan 0.000 0.444 381 A N -0.331 122.497 122.820 0.013 0.000 2.076 381 A HA -0.190 4.123 4.320 -0.013 0.000 0.220 381 A C 1.638 179.229 177.584 0.011 0.000 1.160 381 A CA 1.926 53.970 52.037 0.012 0.000 0.653 381 A CB -0.564 18.443 19.000 0.012 0.000 0.801 381 A HN 0.476 nan 8.150 nan 0.000 0.455 382 D N -0.771 119.636 120.400 0.013 0.000 2.219 382 D HA 0.239 4.871 4.640 -0.013 0.000 0.205 382 D C 1.481 177.785 176.300 0.005 0.000 0.970 382 D CA 1.291 55.299 54.000 0.012 0.000 0.851 382 D CB -0.370 40.439 40.800 0.016 0.000 0.943 382 D HN 0.655 nan 8.370 nan 0.000 0.488 383 G N 0.754 109.556 108.800 0.004 0.000 2.697 383 G HA2 -0.214 3.739 3.960 -0.013 0.000 0.240 383 G HA3 -0.214 3.739 3.960 -0.013 0.000 0.240 383 G C -2.011 172.884 174.900 -0.007 0.000 1.346 383 G CA -0.132 44.968 45.100 0.000 0.000 0.887 383 G HN 0.069 nan 8.290 nan 0.000 0.569 384 P HA 0.169 nan 4.420 nan 0.000 0.285 384 P C 1.233 178.513 177.300 -0.033 0.000 1.521 384 P CA 1.163 64.251 63.100 -0.021 0.000 0.792 384 P CB -0.487 31.203 31.700 -0.016 0.000 1.613 385 G N 0.266 109.046 108.800 -0.034 0.000 2.489 385 G HA2 0.053 4.006 3.960 -0.013 0.000 0.271 385 G HA3 0.053 4.006 3.960 -0.013 0.000 0.271 385 G C -0.655 174.196 174.900 -0.081 0.000 1.427 385 G CA -0.210 44.863 45.100 -0.046 0.000 1.057 385 G HN 0.105 nan 8.290 nan 0.000 0.532 386 D N -0.221 120.119 120.400 -0.101 0.000 2.329 386 D HA 0.492 5.124 4.640 -0.013 0.000 0.232 386 D C -0.153 176.007 176.300 -0.234 0.000 1.088 386 D CA -0.375 53.524 54.000 -0.168 0.000 0.835 386 D CB 0.959 41.663 40.800 -0.159 0.000 1.078 386 D HN 0.079 nan 8.370 nan 0.000 0.495 387 R N 2.045 122.380 120.500 -0.276 0.000 2.803 387 R HA 0.513 4.845 4.340 -0.013 0.000 0.276 387 R C -0.730 175.352 176.300 -0.364 0.000 0.978 387 R CA -0.611 55.338 56.100 -0.252 0.000 0.939 387 R CB 1.059 31.290 30.300 -0.116 0.000 1.179 387 R HN 0.259 nan 8.270 nan 0.000 0.472 388 F N 2.239 122.159 119.950 -0.051 0.000 2.424 388 F HA 0.384 4.903 4.527 -0.013 0.000 0.356 388 F C 0.563 176.346 175.800 -0.028 0.000 1.110 388 F CA -0.541 57.437 58.000 -0.036 0.000 1.161 388 F CB 0.530 39.517 39.000 -0.021 0.000 1.115 388 F HN 0.173 nan 8.300 nan 0.000 0.507 389 I N 5.994 126.627 120.570 0.104 0.000 2.329 389 I HA 0.068 4.230 4.170 -0.013 0.000 0.295 389 I C 1.406 177.590 176.117 0.111 0.000 1.109 389 I CA -0.016 61.340 61.300 0.094 0.000 1.297 389 I CB 0.382 38.434 38.000 0.087 0.000 1.433 389 I HN 0.712 nan 8.210 nan 0.000 0.509 390 I N 2.575 123.206 120.570 0.102 0.000 3.001 390 I HA 0.326 4.488 4.170 -0.013 0.000 0.268 390 I C 0.964 177.115 176.117 0.056 0.000 1.267 390 I CA 0.300 61.644 61.300 0.072 0.000 1.472 390 I CB -0.272 37.761 38.000 0.054 0.000 1.089 390 I HN 0.658 nan 8.210 nan 0.000 0.468 391 G N 0.896 109.736 108.800 0.066 0.000 2.351 391 G HA2 0.201 4.153 3.960 -0.013 0.000 0.279 391 G HA3 0.201 4.153 3.960 -0.013 0.000 0.279 391 G C -1.844 173.085 174.900 0.050 0.000 1.297 391 G CA -0.485 44.644 45.100 0.048 0.000 0.886 391 G HN 0.302 nan 8.290 nan 0.000 0.493 392 E N -0.347 119.866 120.200 0.022 0.000 2.275 392 E HA 0.566 4.909 4.350 -0.013 0.000 0.270 392 E C -0.771 175.818 176.600 -0.018 0.000 0.882 392 E CA -0.551 55.850 56.400 0.003 0.000 0.758 392 E CB 1.942 31.638 29.700 -0.007 0.000 1.195 392 E HN 0.558 nan 8.360 nan 0.000 0.419 393 S N 3.794 119.476 115.700 -0.031 0.000 2.455 393 S HA 0.104 4.567 4.470 -0.013 0.000 0.278 393 S C -0.428 174.133 174.600 -0.064 0.000 1.216 393 S CA -0.524 57.644 58.200 -0.054 0.000 1.055 393 S CB 0.398 63.563 63.200 -0.060 0.000 0.939 393 S HN 0.401 nan 8.310 nan 0.000 0.494 394 Q N 2.994 122.751 119.800 -0.071 0.000 2.243 394 Q HA 0.414 4.746 4.340 -0.013 0.000 0.252 394 Q C 0.149 176.094 176.000 -0.093 0.000 0.909 394 Q CA -0.371 55.392 55.803 -0.066 0.000 0.922 394 Q CB 1.517 30.223 28.738 -0.054 0.000 1.215 394 Q HN 0.823 nan 8.270 nan 0.000 0.427 395 A N 1.034 123.813 122.820 -0.069 0.000 2.520 395 A HA 0.429 4.741 4.320 -0.013 0.000 0.245 395 A C 1.198 178.744 177.584 -0.064 0.000 1.072 395 A CA 0.875 52.873 52.037 -0.064 0.000 0.761 395 A CB -0.332 18.659 19.000 -0.015 0.000 1.004 395 A HN 1.006 nan 8.150 nan 0.000 0.499 396 G N 0.892 109.642 108.800 -0.083 0.000 2.176 396 G HA2 -0.207 3.745 3.960 -0.013 0.000 0.253 396 G HA3 -0.207 3.745 3.960 -0.013 0.000 0.253 396 G C 0.019 174.871 174.900 -0.080 0.000 0.979 396 G CA 0.617 45.685 45.100 -0.054 0.000 0.641 396 G HN 1.234 nan 8.290 nan 0.000 0.530 397 E N 0.226 120.350 120.200 -0.127 0.000 2.246 397 E HA 0.511 4.853 4.350 -0.013 0.000 0.266 397 E C -0.008 176.494 176.600 -0.163 0.000 0.880 397 E CA -0.732 55.601 56.400 -0.111 0.000 0.762 397 E CB 0.872 30.525 29.700 -0.077 0.000 1.180 397 E HN 0.265 nan 8.360 nan 0.000 0.416 398 Q N 4.826 124.546 119.800 -0.133 0.000 2.313 398 Q HA 0.223 4.555 4.340 -0.013 0.000 0.266 398 Q C -2.053 173.888 176.000 -0.098 0.000 0.989 398 Q CA -1.640 54.081 55.803 -0.137 0.000 0.890 398 Q CB 0.699 29.390 28.738 -0.079 0.000 1.200 398 Q HN 0.350 nan 8.270 nan 0.000 0.396 399 P HA 0.112 nan 4.420 nan 0.000 0.275 399 P C -0.458 176.819 177.300 -0.038 0.000 1.227 399 P CA -0.206 62.856 63.100 -0.062 0.000 0.781 399 P CB 1.140 32.806 31.700 -0.058 0.000 0.906 400 T N -0.273 114.265 114.554 -0.027 0.000 3.015 400 T HA 0.044 4.386 4.350 -0.013 0.000 0.250 400 T C 0.552 175.245 174.700 -0.011 0.000 1.057 400 T CA 0.538 62.628 62.100 -0.017 0.000 1.066 400 T CB 0.043 68.901 68.868 -0.015 0.000 0.959 400 T HN 0.470 nan 8.240 nan 0.000 0.488 401 Q N 1.418 121.213 119.800 -0.008 0.000 2.230 401 Q HA 0.461 4.793 4.340 -0.013 0.000 0.248 401 Q C -0.751 175.250 176.000 0.001 0.000 0.915 401 Q CA -0.253 55.549 55.803 -0.002 0.000 0.900 401 Q CB 1.136 29.875 28.738 0.002 0.000 1.229 401 Q HN 0.060 nan 8.270 nan 0.000 0.439 402 T N 1.123 115.679 114.554 0.004 0.000 2.767 402 T HA 0.281 4.623 4.350 -0.013 0.000 0.284 402 T C -0.202 174.506 174.700 0.013 0.000 0.973 402 T CA -0.646 61.459 62.100 0.007 0.000 0.996 402 T CB 0.932 69.803 68.868 0.005 0.000 0.927 402 T HN 0.261 nan 8.240 nan 0.000 0.456 403 V N 5.908 125.833 119.914 0.019 0.000 2.479 403 V HA 0.169 4.281 4.120 -0.013 0.000 0.281 403 V C 0.466 176.574 176.094 0.023 0.000 1.031 403 V CA -0.066 62.251 62.300 0.028 0.000 1.038 403 V CB 0.044 31.889 31.823 0.036 0.000 0.981 403 V HN 0.772 nan 8.190 nan 0.000 0.478 404 M N 6.335 125.948 119.600 0.022 0.000 2.613 404 M HA 0.470 4.942 4.480 -0.013 0.000 0.301 404 M C -2.485 173.831 176.300 0.026 0.000 1.205 404 M CA -2.599 52.710 55.300 0.016 0.000 0.950 404 M CB 0.680 33.282 32.600 0.003 0.000 1.585 404 M HN 0.212 nan 8.290 nan 0.000 0.490 405 P HA 0.106 nan 4.420 nan 0.000 0.261 405 P C 0.698 178.028 177.300 0.050 0.000 1.183 405 P CA 1.135 64.253 63.100 0.030 0.000 0.761 405 P CB 0.063 31.776 31.700 0.020 0.000 0.785 406 G N 1.864 110.705 108.800 0.069 0.000 2.157 406 G HA2 -0.215 3.737 3.960 -0.013 0.000 0.239 406 G HA3 -0.215 3.737 3.960 -0.013 0.000 0.239 406 G C -0.035 174.975 174.900 0.185 0.000 0.982 406 G CA -0.299 44.876 45.100 0.125 0.000 0.650 406 G HN 0.562 nan 8.290 nan 0.000 0.527 407 Q N -1.329 118.542 119.800 0.118 0.000 2.445 407 Q HA 0.848 5.180 4.340 -0.013 0.000 0.281 407 Q C -0.822 175.223 176.000 0.076 0.000 1.101 407 Q CA -1.040 54.836 55.803 0.123 0.000 0.833 407 Q CB 3.221 32.014 28.738 0.092 0.000 1.416 407 Q HN 0.320 nan 8.270 nan 0.000 0.451 408 V N 1.029 120.991 119.914 0.079 0.000 3.077 408 V HA 0.438 4.550 4.120 -0.013 0.000 0.299 408 V C -1.530 174.639 176.094 0.126 0.000 1.276 408 V CA -0.638 61.712 62.300 0.084 0.000 0.993 408 V CB 2.466 34.299 31.823 0.016 0.000 1.076 408 V HN 0.751 nan 8.190 nan 0.000 0.434 409 M N 3.622 123.315 119.600 0.155 0.000 2.321 409 M HA 0.667 5.139 4.480 -0.013 0.000 0.315 409 M C -0.405 175.998 176.300 0.172 0.000 1.052 409 M CA -0.842 54.540 55.300 0.138 0.000 0.936 409 M CB 1.660 34.302 32.600 0.070 0.000 1.639 409 M HN 0.745 nan 8.290 nan 0.000 0.433 410 R N 3.038 123.622 120.500 0.141 0.000 2.623 410 R HA 0.515 4.847 4.340 -0.013 0.000 0.271 410 R C -1.931 174.308 176.300 -0.102 0.000 1.043 410 R CA 0.148 56.218 56.100 -0.050 0.000 1.083 410 R CB 0.668 30.953 30.300 -0.025 0.000 0.974 410 R HN 0.572 nan 8.270 nan 0.000 0.436 411 V N 3.933 123.726 119.914 -0.201 0.000 2.851 411 V HA 0.477 4.590 4.120 -0.013 0.000 0.307 411 V C -0.876 175.135 176.094 -0.137 0.000 1.129 411 V CA -0.094 62.132 62.300 -0.124 0.000 0.932 411 V CB 2.592 34.368 31.823 -0.078 0.000 1.024 411 V HN 1.094 nan 8.190 nan 0.000 0.426 412 T N 0.119 114.622 114.554 -0.084 0.000 2.949 412 T HA 0.324 4.667 4.350 -0.013 0.000 0.287 412 T C 1.311 175.991 174.700 -0.034 0.000 1.034 412 T CA 0.266 62.326 62.100 -0.066 0.000 1.018 412 T CB 1.499 70.337 68.868 -0.051 0.000 1.135 412 T HN 0.952 nan 8.240 nan 0.000 0.532 413 T N -1.481 113.059 114.554 -0.023 0.000 2.897 413 T HA 0.008 4.350 4.350 -0.013 0.000 0.271 413 T C 2.068 176.784 174.700 0.027 0.000 1.084 413 T CA 1.549 63.648 62.100 -0.003 0.000 1.123 413 T CB -1.139 67.725 68.868 -0.005 0.000 0.865 413 T HN 0.827 nan 8.240 nan 0.000 0.496 414 G N 1.055 109.876 108.800 0.036 0.000 2.464 414 G HA2 0.399 4.351 3.960 -0.013 0.000 0.217 414 G HA3 0.399 4.351 3.960 -0.013 0.000 0.217 414 G C 0.764 175.748 174.900 0.141 0.000 1.138 414 G CA 0.175 45.328 45.100 0.088 0.000 0.793 414 G HN 0.882 nan 8.290 nan 0.000 0.539 415 A N 1.211 124.064 122.820 0.055 0.000 2.565 415 A HA 0.454 4.766 4.320 -0.013 0.000 0.237 415 A C -2.146 175.441 177.584 0.005 0.000 1.053 415 A CA -0.689 51.344 52.037 -0.007 0.000 0.755 415 A CB 0.015 18.991 19.000 -0.041 0.000 0.980 415 A HN 0.176 nan 8.150 nan 0.000 0.506 416 P HA 0.077 nan 4.420 nan 0.000 0.267 416 P C -0.326 176.939 177.300 -0.058 0.000 1.205 416 P CA 0.013 62.967 63.100 -0.244 0.000 0.765 416 P CB 0.256 31.598 31.700 -0.597 0.000 0.828 417 I N 5.805 126.398 120.570 0.039 0.000 2.533 417 I HA 0.123 4.285 4.170 -0.013 0.000 0.284 417 I C -1.515 174.608 176.117 0.010 0.000 1.109 417 I CA -2.558 58.760 61.300 0.030 0.000 1.412 417 I CB -0.350 37.681 38.000 0.052 0.000 1.396 417 I HN 0.237 nan 8.210 nan 0.000 0.543 418 P HA 0.054 nan 4.420 nan 0.000 0.274 418 P C 0.978 178.285 177.300 0.012 0.000 1.246 418 P CA -0.353 62.747 63.100 -0.000 0.000 0.795 418 P CB 0.885 32.587 31.700 0.003 0.000 1.006 419 C N 1.505 120.810 119.300 0.009 0.000 2.401 419 C HA -0.057 4.395 4.460 -0.013 0.000 0.286 419 C C 2.532 177.531 174.990 0.016 0.000 1.332 419 C CA 1.769 60.795 59.018 0.013 0.000 1.795 419 C CB -2.136 25.609 27.740 0.009 0.000 1.922 419 C HN 0.758 nan 8.230 nan 0.000 0.520 420 G N -1.011 107.799 108.800 0.017 0.000 2.921 420 G HA2 0.490 4.442 3.960 -0.013 0.000 0.213 420 G HA3 0.490 4.442 3.960 -0.013 0.000 0.213 420 G C 0.477 175.391 174.900 0.023 0.000 1.143 420 G CA 0.781 45.893 45.100 0.019 0.000 0.764 420 G HN 0.752 nan 8.290 nan 0.000 0.542 421 A N 0.061 122.897 122.820 0.027 0.000 2.303 421 A HA 0.618 4.931 4.320 -0.013 0.000 0.317 421 A C -0.379 177.221 177.584 0.028 0.000 1.149 421 A CA -0.390 51.666 52.037 0.030 0.000 0.822 421 A CB 1.055 20.078 19.000 0.037 0.000 1.131 421 A HN 0.003 nan 8.150 nan 0.000 0.493 422 D N -0.117 120.299 120.400 0.026 0.000 2.760 422 D HA 0.508 5.141 4.640 -0.013 0.000 0.314 422 D C -0.482 175.830 176.300 0.021 0.000 1.464 422 D CA 0.749 54.763 54.000 0.023 0.000 0.797 422 D CB 0.657 41.469 40.800 0.020 0.000 1.149 422 D HN 0.819 nan 8.370 nan 0.000 0.455 423 A N -0.593 122.242 122.820 0.025 0.000 2.605 423 A HA 0.631 4.943 4.320 -0.013 0.000 0.294 423 A C -1.592 176.012 177.584 0.033 0.000 1.062 423 A CA -0.518 51.533 52.037 0.024 0.000 0.682 423 A CB 1.595 20.608 19.000 0.023 0.000 1.278 423 A HN -0.075 nan 8.150 nan 0.000 0.410 424 V N 1.205 121.136 119.914 0.029 0.000 2.487 424 V HA 0.530 4.642 4.120 -0.013 0.000 0.298 424 V C -0.627 175.492 176.094 0.043 0.000 1.028 424 V CA -0.525 61.797 62.300 0.036 0.000 0.860 424 V CB 1.731 33.563 31.823 0.016 0.000 0.991 424 V HN 0.737 nan 8.190 nan 0.000 0.427 425 V N 6.172 126.131 119.914 0.075 0.000 2.328 425 V HA 0.311 4.423 4.120 -0.013 0.000 0.278 425 V C 0.401 176.553 176.094 0.095 0.000 1.021 425 V CA -0.664 61.687 62.300 0.084 0.000 0.838 425 V CB 1.458 33.343 31.823 0.103 0.000 0.999 425 V HN 1.029 nan 8.190 nan 0.000 0.447 426 Q N 3.799 123.631 119.800 0.053 0.000 2.479 426 Q HA 0.145 4.477 4.340 -0.013 0.000 0.267 426 Q C 1.082 177.125 176.000 0.072 0.000 1.071 426 Q CA -0.143 55.681 55.803 0.033 0.000 0.935 426 Q CB 0.967 29.715 28.738 0.017 0.000 1.295 426 Q HN 0.409 nan 8.270 nan 0.000 0.476 427 V N 1.422 121.363 119.914 0.044 0.000 2.594 427 V HA -0.234 3.878 4.120 -0.013 0.000 0.253 427 V C 1.366 177.511 176.094 0.086 0.000 1.069 427 V CA 2.300 64.659 62.300 0.098 0.000 1.082 427 V CB -0.533 31.310 31.823 0.033 0.000 0.680 427 V HN 0.843 nan 8.190 nan 0.000 0.469 428 E N 0.173 120.402 120.200 0.049 0.000 2.338 428 E HA -0.099 4.243 4.350 -0.013 0.000 0.197 428 E C 0.896 177.517 176.600 0.034 0.000 1.007 428 E CA 1.057 57.478 56.400 0.035 0.000 0.849 428 E CB -0.129 29.584 29.700 0.021 0.000 0.774 428 E HN 0.616 nan 8.360 nan 0.000 0.506 429 D N 0.090 120.516 120.400 0.044 0.000 2.738 429 D HA 0.168 4.801 4.640 -0.013 0.000 0.246 429 D C -0.493 175.828 176.300 0.035 0.000 1.270 429 D CA 0.158 54.178 54.000 0.033 0.000 0.833 429 D CB 0.644 41.462 40.800 0.030 0.000 1.040 429 D HN -0.103 nan 8.370 nan 0.000 0.487 430 T N -0.110 114.469 114.554 0.042 0.000 2.868 430 T HA 0.419 4.761 4.350 -0.013 0.000 0.306 430 T C -0.936 173.771 174.700 0.011 0.000 1.224 430 T CA -0.644 61.470 62.100 0.023 0.000 1.012 430 T CB 2.733 71.661 68.868 0.101 0.000 1.221 430 T HN -0.127 nan 8.240 nan 0.000 0.499 431 E N 1.198 121.380 120.200 -0.030 0.000 2.308 431 E HA 0.388 4.731 4.350 -0.013 0.000 0.275 431 E C -0.935 175.635 176.600 -0.051 0.000 0.890 431 E CA -0.697 55.688 56.400 -0.025 0.000 0.754 431 E CB 2.221 31.904 29.700 -0.029 0.000 1.207 431 E HN 0.396 nan 8.360 nan 0.000 0.426 432 L N 4.184 125.391 121.223 -0.027 0.000 2.462 432 L HA 0.143 4.475 4.340 -0.013 0.000 0.272 432 L C 0.841 177.679 176.870 -0.053 0.000 1.166 432 L CA 0.432 55.249 54.840 -0.038 0.000 0.880 432 L CB 0.326 42.381 42.059 -0.007 0.000 1.142 432 L HN 0.661 nan 8.230 nan 0.000 0.473 433 I N 2.257 122.780 120.570 -0.079 0.000 2.681 433 I HA 0.091 4.253 4.170 -0.013 0.000 0.247 433 I C 1.000 177.079 176.117 -0.063 0.000 1.091 433 I CA 0.281 61.533 61.300 -0.081 0.000 1.442 433 I CB 0.221 38.149 38.000 -0.120 0.000 1.219 433 I HN 0.554 nan 8.210 nan 0.000 0.451 434 R N 0.912 121.371 120.500 -0.068 0.000 2.744 434 R HA 0.453 4.786 4.340 -0.013 0.000 0.279 434 R C -1.305 174.980 176.300 -0.024 0.000 0.977 434 R CA -0.431 55.643 56.100 -0.043 0.000 0.906 434 R CB 2.102 32.373 30.300 -0.048 0.000 1.197 434 R HN 0.010 nan 8.270 nan 0.000 0.463 435 E N 0.847 121.042 120.200 -0.008 0.000 2.272 435 E HA 0.160 4.503 4.350 -0.013 0.000 0.269 435 E C -1.070 175.536 176.600 0.010 0.000 0.877 435 E CA -0.767 55.636 56.400 0.005 0.000 0.755 435 E CB 2.150 31.855 29.700 0.007 0.000 1.192 435 E HN 0.667 nan 8.360 nan 0.000 0.422 436 S N 2.713 118.423 115.700 0.017 0.000 2.560 436 S HA -0.014 4.448 4.470 -0.013 0.000 0.323 436 S C 0.467 175.075 174.600 0.013 0.000 1.191 436 S CA 0.380 58.590 58.200 0.018 0.000 1.231 436 S CB -0.615 62.599 63.200 0.022 0.000 1.224 436 S HN 0.728 nan 8.310 nan 0.000 0.545 437 D N 1.960 122.367 120.400 0.011 0.000 3.987 437 D HA -0.357 4.275 4.640 -0.013 0.000 0.190 437 D C -0.280 176.025 176.300 0.008 0.000 0.743 437 D CA 2.136 56.141 54.000 0.008 0.000 0.901 437 D CB -0.974 39.831 40.800 0.008 0.000 0.412 437 D HN 0.659 nan 8.370 nan 0.000 0.349 438 D N -1.240 119.165 120.400 0.008 0.000 2.419 438 D HA 0.488 5.120 4.640 -0.013 0.000 0.219 438 D C -0.718 175.587 176.300 0.009 0.000 1.349 438 D CA 0.167 54.172 54.000 0.009 0.000 0.964 438 D CB 1.268 42.073 40.800 0.009 0.000 1.463 438 D HN 0.745 nan 8.370 nan 0.000 0.573 439 G N 1.806 110.612 108.800 0.010 0.000 4.912 439 G HA2 0.401 4.353 3.960 -0.013 0.000 0.307 439 G HA3 0.401 4.353 3.960 -0.013 0.000 0.307 439 G C -0.029 174.877 174.900 0.010 0.000 1.381 439 G CA -0.456 44.650 45.100 0.009 0.000 1.057 439 G HN 0.444 nan 8.290 nan 0.000 0.593 440 T N -0.291 114.270 114.554 0.011 0.000 3.318 440 T HA -0.204 4.139 4.350 -0.013 0.000 0.428 440 T C -0.283 174.427 174.700 0.016 0.000 0.768 440 T CA 1.631 63.738 62.100 0.012 0.000 2.218 440 T CB -1.229 67.644 68.868 0.009 0.000 1.689 440 T HN 0.763 nan 8.240 nan 0.000 0.671 441 E N 0.450 120.662 120.200 0.021 0.000 2.451 441 E HA 0.322 4.665 4.350 -0.013 0.000 0.295 441 E C -1.146 175.473 176.600 0.033 0.000 0.966 441 E CA -0.734 55.683 56.400 0.028 0.000 0.808 441 E CB 1.426 31.141 29.700 0.026 0.000 1.242 441 E HN 0.518 nan 8.360 nan 0.000 0.412 442 E N 4.150 124.378 120.200 0.046 0.000 2.191 442 E HA 0.330 4.672 4.350 -0.013 0.000 0.278 442 E C 0.335 176.962 176.600 0.044 0.000 0.972 442 E CA -0.274 56.155 56.400 0.048 0.000 0.804 442 E CB 1.756 31.508 29.700 0.087 0.000 1.110 442 E HN 0.450 nan 8.360 nan 0.000 0.394 443 L N 1.024 122.259 121.223 0.019 0.000 2.653 443 L HA 0.246 4.578 4.340 -0.013 0.000 0.230 443 L C 0.137 176.991 176.870 -0.026 0.000 1.055 443 L CA 0.451 55.306 54.840 0.025 0.000 0.880 443 L CB 0.497 42.578 42.059 0.037 0.000 1.195 443 L HN 0.488 nan 8.230 nan 0.000 0.492 444 E N 0.353 120.496 120.200 -0.095 0.000 2.331 444 E HA 0.519 4.861 4.350 -0.013 0.000 0.275 444 E C -1.422 175.051 176.600 -0.211 0.000 0.895 444 E CA -0.524 55.752 56.400 -0.207 0.000 0.753 444 E CB 3.187 32.715 29.700 -0.286 0.000 1.216 444 E HN -0.116 nan 8.360 nan 0.000 0.434 445 V N -0.433 119.310 119.914 -0.286 0.000 2.789 445 V HA 0.611 4.723 4.120 -0.013 0.000 0.311 445 V C -0.413 175.527 176.094 -0.257 0.000 1.073 445 V CA -1.220 60.898 62.300 -0.305 0.000 0.921 445 V CB 1.941 33.416 31.823 -0.579 0.000 1.009 445 V HN 0.555 nan 8.190 nan 0.000 0.426 446 R N 2.826 123.216 120.500 -0.184 0.000 2.216 446 R HA 0.552 4.885 4.340 -0.013 0.000 0.332 446 R C -0.724 175.502 176.300 -0.124 0.000 1.056 446 R CA -0.361 55.657 56.100 -0.136 0.000 0.901 446 R CB 1.058 31.303 30.300 -0.091 0.000 1.039 446 R HN 0.808 nan 8.270 nan 0.000 0.456 447 I N 5.151 125.652 120.570 -0.114 0.000 2.312 447 I HA 0.052 4.215 4.170 -0.013 0.000 0.291 447 I C 1.313 177.404 176.117 -0.044 0.000 1.031 447 I CA -0.042 61.212 61.300 -0.077 0.000 1.293 447 I CB 0.982 38.938 38.000 -0.073 0.000 1.403 447 I HN 0.434 nan 8.210 nan 0.000 0.484 448 L N 7.044 128.252 121.223 -0.025 0.000 2.592 448 L HA 0.253 4.585 4.340 -0.013 0.000 0.227 448 L C -0.024 176.841 176.870 -0.008 0.000 1.127 448 L CA 0.176 55.006 54.840 -0.017 0.000 0.884 448 L CB -0.025 42.027 42.059 -0.011 0.000 1.065 448 L HN 0.322 nan 8.230 nan 0.000 0.457 449 V N -0.471 119.441 119.914 -0.004 0.000 2.962 449 V HA 0.280 4.393 4.120 -0.013 0.000 0.313 449 V C -0.661 175.435 176.094 0.002 0.000 1.099 449 V CA -0.701 61.600 62.300 0.002 0.000 0.971 449 V CB 2.578 34.407 31.823 0.010 0.000 1.028 449 V HN 0.027 nan 8.190 nan 0.000 0.430 450 Q N 2.946 122.748 119.800 0.003 0.000 2.377 450 Q HA 0.645 4.977 4.340 -0.013 0.000 0.249 450 Q C -0.241 175.764 176.000 0.008 0.000 1.005 450 Q CA 0.004 55.810 55.803 0.005 0.000 0.912 450 Q CB 0.958 29.698 28.738 0.004 0.000 1.223 450 Q HN 0.936 nan 8.270 nan 0.000 0.459 451 A N 4.783 127.610 122.820 0.011 0.000 2.322 451 A HA 0.574 4.886 4.320 -0.013 0.000 0.269 451 A C -0.305 177.286 177.584 0.012 0.000 1.094 451 A CA -0.488 51.557 52.037 0.013 0.000 0.807 451 A CB 0.559 19.570 19.000 0.019 0.000 1.047 451 A HN 0.821 nan 8.150 nan 0.000 0.487 452 R N 1.125 121.631 120.500 0.011 0.000 2.404 452 R HA 0.343 4.676 4.340 -0.013 0.000 0.291 452 R C -2.588 173.718 176.300 0.010 0.000 1.025 452 R CA -1.684 54.422 56.100 0.010 0.000 0.991 452 R CB 0.539 30.844 30.300 0.008 0.000 1.053 452 R HN 0.435 nan 8.270 nan 0.000 0.479 453 P HA -0.055 nan 4.420 nan 0.000 0.261 453 P C 0.533 177.838 177.300 0.009 0.000 1.183 453 P CA 1.008 64.115 63.100 0.011 0.000 0.761 453 P CB 0.477 32.184 31.700 0.011 0.000 0.785 454 G N 1.844 110.649 108.800 0.008 0.000 2.175 454 G HA2 -0.269 3.683 3.960 -0.013 0.000 0.244 454 G HA3 -0.269 3.683 3.960 -0.013 0.000 0.244 454 G C 0.241 175.137 174.900 -0.006 0.000 0.982 454 G CA -0.036 45.066 45.100 0.002 0.000 0.641 454 G HN 0.698 nan 8.290 nan 0.000 0.527 455 Q N 0.876 120.675 119.800 -0.001 0.000 2.300 455 Q HA 0.365 4.698 4.340 -0.013 0.000 0.280 455 Q C 0.410 176.406 176.000 -0.007 0.000 1.033 455 Q CA 0.655 56.456 55.803 -0.003 0.000 0.903 455 Q CB 0.141 28.882 28.738 0.005 0.000 1.195 455 Q HN 0.322 nan 8.270 nan 0.000 0.386 456 D N 2.345 122.734 120.400 -0.018 0.000 2.837 456 D HA -0.208 4.425 4.640 -0.013 0.000 0.230 456 D C -0.877 175.405 176.300 -0.029 0.000 1.152 456 D CA 1.112 55.099 54.000 -0.023 0.000 0.736 456 D CB -1.114 39.682 40.800 -0.008 0.000 1.084 456 D HN 0.498 nan 8.370 nan 0.000 0.429 457 I N -0.001 120.543 120.570 -0.045 0.000 2.545 457 I HA 0.279 4.442 4.170 -0.013 0.000 0.292 457 I C 0.637 176.688 176.117 -0.110 0.000 1.040 457 I CA -0.886 60.387 61.300 -0.044 0.000 1.068 457 I CB 2.302 40.293 38.000 -0.016 0.000 1.251 457 I HN -0.287 nan 8.210 nan 0.000 0.424 458 R N 6.811 127.244 120.500 -0.113 0.000 2.215 458 R HA 0.417 4.749 4.340 -0.013 0.000 0.337 458 R C -2.518 173.717 176.300 -0.110 0.000 1.010 458 R CA -1.568 54.405 56.100 -0.212 0.000 0.871 458 R CB 1.024 31.229 30.300 -0.158 0.000 1.134 458 R HN 0.221 nan 8.270 nan 0.000 0.477 459 P HA 0.028 nan 4.420 nan 0.000 0.272 459 P C -0.105 177.209 177.300 0.023 0.000 1.240 459 P CA -0.221 62.881 63.100 0.003 0.000 0.791 459 P CB 0.628 32.350 31.700 0.037 0.000 0.978 460 I N 0.841 121.420 120.570 0.015 0.000 2.752 460 I HA 0.032 4.194 4.170 -0.013 0.000 0.289 460 I C 1.642 177.765 176.117 0.010 0.000 1.197 460 I CA 1.341 62.637 61.300 -0.008 0.000 1.432 460 I CB -0.861 37.143 38.000 0.007 0.000 1.359 460 I HN 0.749 nan 8.210 nan 0.000 0.571 461 G N 4.273 113.067 108.800 -0.010 0.000 2.179 461 G HA2 -0.321 3.631 3.960 -0.013 0.000 0.260 461 G HA3 -0.321 3.631 3.960 -0.013 0.000 0.260 461 G C 1.152 176.058 174.900 0.011 0.000 0.977 461 G CA 0.438 45.534 45.100 -0.006 0.000 0.641 461 G HN 0.865 nan 8.290 nan 0.000 0.533 462 H N 0.634 119.675 119.070 -0.048 0.000 2.387 462 H HA -0.076 4.472 4.556 -0.013 0.000 0.299 462 H C 1.895 177.203 175.328 -0.034 0.000 1.099 462 H CA 2.094 58.120 56.048 -0.036 0.000 1.315 462 H CB 0.274 30.014 29.762 -0.037 0.000 1.380 462 H HN 0.512 nan 8.280 nan 0.000 0.513 463 D N 0.000 120.386 120.400 -0.024 0.000 2.269 463 D HA 0.166 4.798 4.640 -0.013 0.000 0.220 463 D C 0.543 176.802 176.300 -0.069 0.000 0.962 463 D CA 0.616 54.581 54.000 -0.058 0.000 0.884 463 D CB 1.050 41.848 40.800 -0.003 0.000 1.023 463 D HN 0.293 nan 8.370 nan 0.000 0.484 464 I N 0.545 121.086 120.570 -0.050 0.000 2.569 464 I HA 0.189 4.351 4.170 -0.013 0.000 0.290 464 I C -0.250 175.847 176.117 -0.032 0.000 1.088 464 I CA -0.884 60.392 61.300 -0.039 0.000 1.047 464 I CB 3.022 41.005 38.000 -0.029 0.000 1.237 464 I HN -0.321 nan 8.210 nan 0.000 0.421 465 K N 5.781 126.167 120.400 -0.025 0.000 2.110 465 K HA 0.431 4.744 4.320 -0.013 0.000 0.263 465 K C -0.160 176.437 176.600 -0.006 0.000 0.975 465 K CA -0.715 55.562 56.287 -0.017 0.000 0.895 465 K CB 1.432 33.921 32.500 -0.018 0.000 1.060 465 K HN 0.590 nan 8.250 nan 0.000 0.448 466 R N 1.370 121.865 120.500 -0.008 0.000 2.522 466 R HA -0.011 4.321 4.340 -0.013 0.000 0.284 466 R C 0.642 176.938 176.300 -0.006 0.000 1.032 466 R CA 1.778 57.875 56.100 -0.005 0.000 1.049 466 R CB 0.014 30.308 30.300 -0.010 0.000 0.956 466 R HN 1.021 nan 8.270 nan 0.000 0.422 467 G N 2.500 111.303 108.800 0.005 0.000 2.199 467 G HA2 -0.326 3.626 3.960 -0.013 0.000 0.254 467 G HA3 -0.326 3.626 3.960 -0.013 0.000 0.254 467 G C 0.056 174.974 174.900 0.031 0.000 0.982 467 G CA 0.420 45.506 45.100 -0.023 0.000 0.632 467 G HN 0.684 nan 8.290 nan 0.000 0.529 468 E N 0.277 120.518 120.200 0.068 0.000 2.383 468 E HA 0.350 4.692 4.350 -0.013 0.000 0.264 468 E C 0.508 177.226 176.600 0.196 0.000 1.050 468 E CA -0.249 56.211 56.400 0.101 0.000 0.896 468 E CB 0.640 30.365 29.700 0.043 0.000 0.982 468 E HN 0.392 nan 8.360 nan 0.000 0.424 469 C N 5.838 125.263 119.300 0.210 0.000 2.555 469 C HA 0.178 4.630 4.460 -0.013 0.000 0.385 469 C C 1.573 176.574 174.990 0.018 0.000 1.296 469 C CA -0.138 58.953 59.018 0.122 0.000 1.757 469 C CB -1.145 26.646 27.740 0.085 0.000 2.445 469 C HN 0.659 nan 8.230 nan 0.000 0.571 470 V N 4.926 124.827 119.914 -0.021 0.000 2.825 470 V HA 0.345 4.458 4.120 -0.013 0.000 0.246 470 V C 0.392 176.460 176.094 -0.043 0.000 1.068 470 V CA 0.783 63.067 62.300 -0.026 0.000 1.088 470 V CB -0.579 31.231 31.823 -0.022 0.000 0.733 470 V HN 0.714 nan 8.190 nan 0.000 0.468 471 L N 1.166 122.344 121.223 -0.076 0.000 2.436 471 L HA 0.862 5.194 4.340 -0.013 0.000 0.268 471 L C -0.162 176.645 176.870 -0.105 0.000 0.974 471 L CA -0.433 54.365 54.840 -0.069 0.000 0.826 471 L CB 1.818 43.844 42.059 -0.055 0.000 1.291 471 L HN 0.223 nan 8.230 nan 0.000 0.406 472 A N 2.844 125.624 122.820 -0.067 0.000 2.279 472 A HA 0.450 4.762 4.320 -0.013 0.000 0.303 472 A C -0.265 177.290 177.584 -0.049 0.000 1.108 472 A CA -0.554 51.442 52.037 -0.068 0.000 0.830 472 A CB 0.876 19.856 19.000 -0.032 0.000 1.106 472 A HN 0.708 nan 8.150 nan 0.000 0.493 473 K N -0.111 120.260 120.400 -0.048 0.000 2.484 473 K HA 0.289 4.601 4.320 -0.013 0.000 0.280 473 K C 1.092 177.691 176.600 -0.002 0.000 1.013 473 K CA 1.399 57.671 56.287 -0.025 0.000 1.029 473 K CB -0.064 32.425 32.500 -0.019 0.000 0.902 473 K HN 1.571 nan 8.250 nan 0.000 0.481 474 G N 2.568 111.376 108.800 0.013 0.000 2.176 474 G HA2 -0.217 3.735 3.960 -0.013 0.000 0.232 474 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.232 474 G C 0.075 175.006 174.900 0.052 0.000 0.986 474 G CA 0.143 45.260 45.100 0.028 0.000 0.643 474 G HN 0.635 nan 8.290 nan 0.000 0.522 475 T N 1.391 115.976 114.554 0.051 0.000 2.834 475 T HA 0.322 4.665 4.350 -0.013 0.000 0.298 475 T C 0.140 174.925 174.700 0.142 0.000 0.966 475 T CA 0.169 62.314 62.100 0.075 0.000 1.141 475 T CB 0.638 69.529 68.868 0.038 0.000 0.905 475 T HN 0.378 nan 8.240 nan 0.000 0.535 476 H N 4.768 123.861 119.070 0.039 0.000 2.761 476 H HA 0.314 4.862 4.556 -0.013 0.000 0.284 476 H C -0.119 175.239 175.328 0.050 0.000 1.105 476 H CA -0.892 55.191 56.048 0.058 0.000 1.352 476 H CB 0.292 30.092 29.762 0.063 0.000 1.423 476 H HN 0.482 nan 8.280 nan 0.000 0.464 477 M N 4.366 124.007 119.600 0.069 0.000 2.216 477 M HA 0.251 4.723 4.480 -0.013 0.000 0.356 477 M C 0.692 176.940 176.300 -0.087 0.000 1.205 477 M CA -0.185 55.108 55.300 -0.012 0.000 1.122 477 M CB 1.629 34.253 32.600 0.039 0.000 1.571 477 M HN 0.692 nan 8.290 nan 0.000 0.464 478 G N 2.085 110.837 108.800 -0.080 0.000 3.175 478 G HA2 0.541 4.493 3.960 -0.013 0.000 0.255 478 G HA3 0.541 4.493 3.960 -0.013 0.000 0.255 478 G C -2.572 172.307 174.900 -0.034 0.000 1.352 478 G CA -1.092 43.962 45.100 -0.076 0.000 1.037 478 G HN 0.346 nan 8.290 nan 0.000 0.556 479 P HA -0.107 nan 4.420 nan 0.000 0.216 479 P C 2.134 179.434 177.300 0.000 0.000 1.157 479 P CA 1.990 65.082 63.100 -0.014 0.000 0.880 479 P CB 0.144 31.832 31.700 -0.019 0.000 0.791 480 S N -0.846 114.850 115.700 -0.007 0.000 2.399 480 S HA -0.154 4.308 4.470 -0.013 0.000 0.231 480 S C 1.732 176.336 174.600 0.007 0.000 1.022 480 S CA 1.305 59.504 58.200 -0.001 0.000 0.983 480 S CB -0.737 62.458 63.200 -0.009 0.000 0.803 480 S HN 0.245 nan 8.310 nan 0.000 0.480 481 E N 1.175 121.379 120.200 0.006 0.000 2.072 481 E HA 0.014 4.357 4.350 -0.013 0.000 0.190 481 E C 1.956 178.579 176.600 0.039 0.000 0.982 481 E CA 0.555 56.964 56.400 0.014 0.000 0.803 481 E CB -0.245 29.460 29.700 0.009 0.000 0.755 481 E HN 0.304 nan 8.360 nan 0.000 0.453 482 I N 0.617 121.221 120.570 0.056 0.000 2.208 482 I HA -0.167 3.995 4.170 -0.013 0.000 0.245 482 I C 2.269 178.480 176.117 0.156 0.000 1.097 482 I CA 1.773 63.146 61.300 0.122 0.000 1.363 482 I CB -1.679 36.368 38.000 0.078 0.000 1.051 482 I HN 0.172 nan 8.210 nan 0.000 0.413 483 G N 0.234 109.087 108.800 0.087 0.000 2.448 483 G HA2 -0.144 3.809 3.960 -0.013 0.000 0.218 483 G HA3 -0.144 3.809 3.960 -0.013 0.000 0.218 483 G C 1.827 176.747 174.900 0.033 0.000 1.135 483 G CA 0.040 45.182 45.100 0.069 0.000 0.784 483 G HN 0.313 nan 8.290 nan 0.000 0.543 484 L N -0.098 121.137 121.223 0.020 0.000 2.156 484 L HA 0.153 4.485 4.340 -0.013 0.000 0.208 484 L C 2.760 179.614 176.870 -0.025 0.000 1.095 484 L CA 0.598 55.434 54.840 -0.005 0.000 0.770 484 L CB -0.098 41.957 42.059 -0.007 0.000 0.914 484 L HN 0.222 nan 8.230 nan 0.000 0.439 485 L N -0.656 120.557 121.223 -0.017 0.000 2.056 485 L HA -0.169 4.163 4.340 -0.013 0.000 0.207 485 L C 2.826 179.566 176.870 -0.217 0.000 1.078 485 L CA 1.077 55.871 54.840 -0.078 0.000 0.749 485 L CB -0.704 41.347 42.059 -0.012 0.000 0.901 485 L HN 0.255 nan 8.230 nan 0.000 0.433 486 A N -0.229 122.464 122.820 -0.211 0.000 1.883 486 A HA -0.226 4.086 4.320 -0.013 0.000 0.217 486 A C 2.360 179.855 177.584 -0.147 0.000 1.186 486 A CA 2.438 54.311 52.037 -0.273 0.000 0.624 486 A CB -1.029 17.952 19.000 -0.030 0.000 0.822 486 A HN 0.376 nan 8.150 nan 0.000 0.444 487 T N -0.029 114.479 114.554 -0.076 0.000 2.699 487 T HA -0.165 4.177 4.350 -0.013 0.000 0.268 487 T C 1.797 176.460 174.700 -0.062 0.000 1.036 487 T CA 2.220 64.288 62.100 -0.053 0.000 1.147 487 T CB -0.641 68.207 68.868 -0.034 0.000 0.862 487 T HN 0.727 nan 8.240 nan 0.000 0.446 488 V N -1.242 118.628 119.914 -0.073 0.000 3.608 488 V HA 0.547 4.659 4.120 -0.013 0.000 0.269 488 V C 1.582 177.630 176.094 -0.075 0.000 1.245 488 V CA 0.401 62.665 62.300 -0.059 0.000 1.138 488 V CB -0.895 30.903 31.823 -0.040 0.000 0.841 488 V HN 0.578 nan 8.190 nan 0.000 0.451 489 G N 0.335 109.060 108.800 -0.125 0.000 2.160 489 G HA2 -0.198 3.754 3.960 -0.013 0.000 0.244 489 G HA3 -0.198 3.754 3.960 -0.013 0.000 0.244 489 G C 0.012 174.826 174.900 -0.144 0.000 1.022 489 G CA 0.121 45.137 45.100 -0.141 0.000 0.741 489 G HN 0.915 nan 8.290 nan 0.000 0.508 490 V N 1.938 121.753 119.914 -0.166 0.000 2.284 490 V HA 0.406 4.519 4.120 -0.013 0.000 0.260 490 V C 1.593 177.574 176.094 -0.189 0.000 1.084 490 V CA 0.675 62.903 62.300 -0.121 0.000 0.894 490 V CB 0.554 32.335 31.823 -0.070 0.000 1.119 490 V HN 0.664 nan 8.190 nan 0.000 0.484 491 T N 0.017 114.474 114.554 -0.162 0.000 3.057 491 T HA 0.208 4.550 4.350 -0.013 0.000 0.254 491 T C 0.514 175.305 174.700 0.151 0.000 1.094 491 T CA 0.081 62.124 62.100 -0.096 0.000 1.088 491 T CB 0.402 69.246 68.868 -0.041 0.000 0.934 491 T HN 0.456 nan 8.240 nan 0.000 0.497 492 E N 0.781 121.020 120.200 0.065 0.000 2.212 492 E HA 0.709 5.051 4.350 -0.013 0.000 0.268 492 E C -1.449 175.177 176.600 0.043 0.000 0.902 492 E CA -0.734 55.705 56.400 0.065 0.000 0.779 492 E CB 2.638 32.362 29.700 0.041 0.000 1.172 492 E HN 0.103 nan 8.360 nan 0.000 0.409 493 V N 1.680 121.617 119.914 0.038 0.000 2.932 493 V HA 0.168 4.281 4.120 -0.013 0.000 0.307 493 V C -1.015 175.084 176.094 0.008 0.000 1.147 493 V CA -0.724 61.589 62.300 0.022 0.000 0.951 493 V CB 2.297 34.141 31.823 0.034 0.000 1.031 493 V HN 0.697 nan 8.190 nan 0.000 0.426 494 E N 3.914 124.114 120.200 0.001 0.000 2.223 494 E HA 0.598 4.941 4.350 -0.013 0.000 0.282 494 E C -0.845 175.752 176.600 -0.005 0.000 1.046 494 E CA -0.275 56.124 56.400 -0.003 0.000 0.857 494 E CB 1.397 31.097 29.700 -0.000 0.000 1.055 494 E HN 0.730 nan 8.360 nan 0.000 0.409 495 V N 1.221 121.129 119.914 -0.011 0.000 3.114 495 V HA 0.501 4.613 4.120 -0.013 0.000 0.308 495 V C -0.643 175.446 176.094 -0.008 0.000 1.168 495 V CA -1.329 60.965 62.300 -0.009 0.000 1.015 495 V CB 1.812 33.618 31.823 -0.028 0.000 1.050 495 V HN 0.635 nan 8.190 nan 0.000 0.433 496 N N 1.347 120.056 118.700 0.015 0.000 2.508 496 N HA 0.307 5.039 4.740 -0.013 0.000 0.264 496 N C -0.288 175.237 175.510 0.024 0.000 1.216 496 N CA -0.226 52.842 53.050 0.030 0.000 0.943 496 N CB 0.389 38.911 38.487 0.059 0.000 1.113 496 N HN 0.708 nan 8.380 nan 0.000 0.447 497 K N 0.934 121.355 120.400 0.034 0.000 2.276 497 K HA 0.164 4.476 4.320 -0.013 0.000 0.259 497 K C -0.436 176.283 176.600 0.197 0.000 1.001 497 K CA -0.002 56.312 56.287 0.045 0.000 0.927 497 K CB 0.384 32.913 32.500 0.048 0.000 0.969 497 K HN 0.276 nan 8.250 nan 0.000 0.490 498 F N 2.269 122.258 119.950 0.065 0.000 2.375 498 F HA 0.250 4.769 4.527 -0.013 0.000 0.333 498 F C -1.675 174.130 175.800 0.009 0.000 1.104 498 F CA -3.073 54.980 58.000 0.089 0.000 1.149 498 F CB 0.277 39.411 39.000 0.224 0.000 1.190 498 F HN 0.334 nan 8.300 nan 0.000 0.533 499 P HA 0.126 nan 4.420 nan 0.000 0.276 499 P C -0.676 176.645 177.300 0.036 0.000 1.230 499 P CA -0.144 62.940 63.100 -0.026 0.000 0.776 499 P CB 1.733 33.314 31.700 -0.198 0.000 0.888 500 V N 4.639 124.587 119.914 0.057 0.000 2.432 500 V HA 0.304 4.416 4.120 -0.013 0.000 0.275 500 V C -0.649 175.473 176.094 0.046 0.000 1.043 500 V CA -0.408 61.935 62.300 0.071 0.000 0.925 500 V CB 1.121 32.989 31.823 0.076 0.000 0.985 500 V HN 0.233 nan 8.190 nan 0.000 0.466 501 V N 7.048 126.995 119.914 0.056 0.000 2.409 501 V HA 0.759 4.871 4.120 -0.013 0.000 0.291 501 V C 0.512 176.639 176.094 0.054 0.000 1.020 501 V CA -0.155 62.175 62.300 0.051 0.000 0.848 501 V CB 1.205 33.057 31.823 0.048 0.000 0.990 501 V HN 1.186 nan 8.190 nan 0.000 0.430 502 A N 5.047 127.898 122.820 0.050 0.000 2.290 502 A HA 0.826 5.138 4.320 -0.013 0.000 0.310 502 A C -0.528 177.084 177.584 0.047 0.000 1.202 502 A CA -0.435 51.629 52.037 0.044 0.000 0.837 502 A CB 1.036 20.057 19.000 0.035 0.000 1.139 502 A HN 0.699 nan 8.150 nan 0.000 0.509 503 V N 4.178 124.117 119.914 0.041 0.000 2.495 503 V HA 0.695 4.807 4.120 -0.013 0.000 0.298 503 V C 0.084 176.198 176.094 0.033 0.000 1.031 503 V CA -0.358 61.966 62.300 0.040 0.000 0.871 503 V CB 1.278 33.124 31.823 0.038 0.000 0.988 503 V HN 1.071 nan 8.190 nan 0.000 0.432 504 M N 2.333 121.953 119.600 0.033 0.000 2.593 504 M HA 0.833 5.305 4.480 -0.013 0.000 0.290 504 M C -1.176 175.141 176.300 0.029 0.000 1.244 504 M CA -0.392 54.924 55.300 0.027 0.000 0.857 504 M CB 2.632 35.245 32.600 0.022 0.000 1.738 504 M HN 0.379 nan 8.290 nan 0.000 0.461 505 S N 0.938 116.653 115.700 0.025 0.000 2.521 505 S HA 0.754 5.216 4.470 -0.013 0.000 0.295 505 S C -0.663 173.951 174.600 0.024 0.000 1.098 505 S CA -0.606 57.610 58.200 0.027 0.000 0.999 505 S CB 2.042 65.257 63.200 0.025 0.000 1.034 505 S HN 0.823 nan 8.310 nan 0.000 0.483 506 T N -0.523 114.049 114.554 0.029 0.000 2.885 506 T HA 0.904 5.246 4.350 -0.013 0.000 0.285 506 T C -0.099 174.621 174.700 0.034 0.000 1.019 506 T CA -0.590 61.527 62.100 0.029 0.000 1.010 506 T CB 1.501 70.390 68.868 0.035 0.000 1.022 506 T HN 1.157 nan 8.240 nan 0.000 0.466 507 G N 1.569 110.389 108.800 0.033 0.000 2.249 507 G HA2 0.081 4.033 3.960 -0.013 0.000 0.252 507 G HA3 0.081 4.033 3.960 -0.013 0.000 0.252 507 G C -0.197 174.719 174.900 0.027 0.000 1.697 507 G CA -0.836 44.285 45.100 0.035 0.000 0.916 507 G HN 0.732 nan 8.290 nan 0.000 0.725 508 N N 0.093 118.811 118.700 0.029 0.000 2.494 508 N HA -0.014 4.718 4.740 -0.013 0.000 0.182 508 N C 1.861 177.382 175.510 0.019 0.000 1.076 508 N CA 0.810 53.873 53.050 0.021 0.000 0.908 508 N CB 0.343 38.843 38.487 0.023 0.000 0.967 508 N HN 0.658 nan 8.380 nan 0.000 0.449 509 E N 1.145 121.358 120.200 0.022 0.000 2.474 509 E HA -0.012 4.330 4.350 -0.013 0.000 0.194 509 E C 0.024 176.634 176.600 0.017 0.000 1.041 509 E CA 0.015 56.426 56.400 0.019 0.000 0.874 509 E CB 0.072 29.784 29.700 0.021 0.000 0.914 509 E HN 0.331 nan 8.360 nan 0.000 0.498 510 L N 1.635 122.868 121.223 0.017 0.000 2.371 510 L HA 0.390 4.722 4.340 -0.013 0.000 0.272 510 L C 0.309 177.187 176.870 0.013 0.000 1.124 510 L CA -0.455 54.394 54.840 0.016 0.000 0.816 510 L CB 0.830 42.899 42.059 0.018 0.000 1.129 510 L HN -0.016 nan 8.230 nan 0.000 0.448 511 L N 1.892 123.122 121.223 0.012 0.000 2.301 511 L HA 0.486 4.818 4.340 -0.013 0.000 0.264 511 L C -0.181 176.696 176.870 0.011 0.000 1.016 511 L CA -1.015 53.831 54.840 0.010 0.000 0.821 511 L CB 1.779 43.844 42.059 0.009 0.000 1.346 511 L HN 0.546 nan 8.230 nan 0.000 0.429 512 N N 1.283 119.989 118.700 0.009 0.000 2.525 512 N HA 0.140 4.872 4.740 -0.013 0.000 0.271 512 N C -1.879 173.637 175.510 0.009 0.000 1.194 512 N CA -1.314 51.742 53.050 0.010 0.000 0.964 512 N CB 1.159 39.651 38.487 0.009 0.000 1.126 512 N HN 0.285 nan 8.380 nan 0.000 0.452 513 P HA -0.123 nan 4.420 nan 0.000 0.220 513 P C 0.418 177.722 177.300 0.008 0.000 1.144 513 P CA 1.330 64.436 63.100 0.009 0.000 0.800 513 P CB 0.389 32.095 31.700 0.010 0.000 0.772 514 E N -1.027 119.177 120.200 0.007 0.000 2.358 514 E HA -0.036 4.306 4.350 -0.013 0.000 0.195 514 E C 0.357 176.960 176.600 0.006 0.000 1.010 514 E CA 0.631 57.035 56.400 0.006 0.000 0.856 514 E CB -0.540 29.164 29.700 0.006 0.000 0.795 514 E HN 0.369 nan 8.360 nan 0.000 0.504 515 D N 1.006 121.410 120.400 0.006 0.000 2.283 515 D HA 0.132 4.764 4.640 -0.013 0.000 0.248 515 D C -0.274 176.029 176.300 0.006 0.000 1.072 515 D CA -0.237 53.767 54.000 0.006 0.000 0.929 515 D CB 0.814 41.618 40.800 0.006 0.000 1.182 515 D HN -0.124 nan 8.370 nan 0.000 0.433 516 D N 0.187 120.590 120.400 0.005 0.000 2.283 516 D HA 0.248 4.880 4.640 -0.013 0.000 0.248 516 D C 0.496 176.799 176.300 0.006 0.000 1.072 516 D CA -0.409 53.594 54.000 0.005 0.000 0.929 516 D CB 0.951 41.753 40.800 0.004 0.000 1.182 516 D HN 0.143 nan 8.370 nan 0.000 0.433 517 L N 0.934 122.161 121.223 0.006 0.000 2.483 517 L HA 0.200 4.532 4.340 -0.013 0.000 0.275 517 L C 0.182 177.056 176.870 0.006 0.000 1.220 517 L CA 0.046 54.890 54.840 0.006 0.000 0.833 517 L CB 0.108 42.171 42.059 0.006 0.000 1.102 517 L HN 0.128 nan 8.230 nan 0.000 0.490 518 L N 1.914 123.140 121.223 0.007 0.000 2.327 518 L HA 0.500 4.832 4.340 -0.013 0.000 0.258 518 L C -2.319 174.555 176.870 0.007 0.000 1.024 518 L CA -2.061 52.782 54.840 0.006 0.000 0.825 518 L CB 2.048 44.111 42.059 0.006 0.000 1.386 518 L HN 0.356 nan 8.230 nan 0.000 0.417 519 P HA 0.096 nan 4.420 nan 0.000 0.262 519 P C 0.650 177.955 177.300 0.009 0.000 1.182 519 P CA 0.736 63.840 63.100 0.007 0.000 0.761 519 P CB 0.518 32.222 31.700 0.007 0.000 0.795 520 G N 1.409 110.215 108.800 0.009 0.000 2.184 520 G HA2 -0.219 3.734 3.960 -0.013 0.000 0.264 520 G HA3 -0.219 3.734 3.960 -0.013 0.000 0.264 520 G C 0.100 175.007 174.900 0.012 0.000 0.975 520 G CA -0.035 45.071 45.100 0.011 0.000 0.642 520 G HN 0.536 nan 8.290 nan 0.000 0.536 521 K N 0.235 120.641 120.400 0.011 0.000 2.208 521 K HA 0.788 5.100 4.320 -0.013 0.000 0.247 521 K C 0.456 177.063 176.600 0.012 0.000 0.953 521 K CA -0.615 55.679 56.287 0.012 0.000 0.837 521 K CB 2.287 34.794 32.500 0.010 0.000 1.131 521 K HN 0.618 nan 8.250 nan 0.000 0.431 522 I N -2.143 118.435 120.570 0.013 0.000 3.042 522 I HA 0.541 4.703 4.170 -0.013 0.000 0.310 522 I C -0.462 175.663 176.117 0.013 0.000 1.117 522 I CA -1.433 59.875 61.300 0.013 0.000 1.003 522 I CB 1.895 39.904 38.000 0.014 0.000 1.228 522 I HN 0.255 nan 8.210 nan 0.000 0.443 523 R N 1.271 121.778 120.500 0.012 0.000 2.441 523 R HA 0.225 4.557 4.340 -0.013 0.000 0.284 523 R C -0.863 175.446 176.300 0.014 0.000 1.070 523 R CA -0.589 55.518 56.100 0.012 0.000 1.047 523 R CB 0.587 30.893 30.300 0.011 0.000 1.016 523 R HN 0.606 nan 8.270 nan 0.000 0.477 524 D N 0.878 121.287 120.400 0.015 0.000 2.339 524 D HA -0.002 4.631 4.640 -0.013 0.000 0.256 524 D C 0.572 176.883 176.300 0.017 0.000 1.214 524 D CA 0.126 54.136 54.000 0.017 0.000 0.877 524 D CB 0.911 41.721 40.800 0.017 0.000 1.111 524 D HN 0.501 nan 8.370 nan 0.000 0.478 525 S N 2.310 118.021 115.700 0.018 0.000 2.497 525 S HA -0.001 4.461 4.470 -0.013 0.000 0.221 525 S C 1.462 176.074 174.600 0.020 0.000 1.037 525 S CA -0.139 58.072 58.200 0.018 0.000 0.920 525 S CB -0.310 62.900 63.200 0.017 0.000 0.800 525 S HN 0.539 nan 8.310 nan 0.000 0.505 526 N N 1.816 120.530 118.700 0.023 0.000 2.104 526 N HA -0.099 4.633 4.740 -0.013 0.000 0.190 526 N C 2.025 177.550 175.510 0.025 0.000 1.024 526 N CA 1.144 54.210 53.050 0.025 0.000 0.853 526 N CB -0.177 38.328 38.487 0.029 0.000 1.008 526 N HN 0.391 nan 8.380 nan 0.000 0.424 527 R N 1.114 121.628 120.500 0.025 0.000 2.080 527 R HA -0.128 4.204 4.340 -0.013 0.000 0.236 527 R C 2.413 178.728 176.300 0.024 0.000 1.137 527 R CA 2.040 58.155 56.100 0.025 0.000 0.943 527 R CB -0.089 30.225 30.300 0.023 0.000 0.846 527 R HN 0.266 nan 8.270 nan 0.000 0.431 528 S N -0.972 114.741 115.700 0.021 0.000 2.383 528 S HA -0.095 4.367 4.470 -0.013 0.000 0.227 528 S C 1.942 176.554 174.600 0.020 0.000 1.026 528 S CA 1.552 59.764 58.200 0.019 0.000 0.981 528 S CB -0.439 62.771 63.200 0.016 0.000 0.818 528 S HN 0.314 nan 8.310 nan 0.000 0.472 529 T N 2.969 117.535 114.554 0.020 0.000 2.746 529 T HA 0.128 4.470 4.350 -0.013 0.000 0.267 529 T C 1.704 176.418 174.700 0.023 0.000 1.039 529 T CA 1.280 63.392 62.100 0.020 0.000 1.142 529 T CB -0.468 68.412 68.868 0.020 0.000 0.866 529 T HN 0.294 nan 8.240 nan 0.000 0.444 530 L N 0.175 121.412 121.223 0.024 0.000 2.109 530 L HA 0.067 4.399 4.340 -0.013 0.000 0.207 530 L C 2.425 179.314 176.870 0.032 0.000 1.086 530 L CA 0.851 55.705 54.840 0.024 0.000 0.760 530 L CB -0.480 41.592 42.059 0.021 0.000 0.910 530 L HN 0.225 nan 8.230 nan 0.000 0.437 531 L N -0.390 120.852 121.223 0.032 0.000 2.093 531 L HA -0.176 4.156 4.340 -0.013 0.000 0.208 531 L C 2.845 179.738 176.870 0.038 0.000 1.085 531 L CA 1.098 55.960 54.840 0.038 0.000 0.755 531 L CB -0.614 41.465 42.059 0.033 0.000 0.904 531 L HN 0.239 nan 8.230 nan 0.000 0.435 532 A N -0.583 122.254 122.820 0.029 0.000 1.898 532 A HA -0.182 4.130 4.320 -0.013 0.000 0.216 532 A C 2.347 179.948 177.584 0.029 0.000 1.181 532 A CA 2.198 54.248 52.037 0.021 0.000 0.620 532 A CB -0.869 18.139 19.000 0.014 0.000 0.819 532 A HN 0.355 nan 8.150 nan 0.000 0.442 533 T N 0.540 115.121 114.554 0.045 0.000 2.746 533 T HA -0.159 4.184 4.350 -0.013 0.000 0.267 533 T C 1.818 176.614 174.700 0.161 0.000 1.039 533 T CA 1.828 63.976 62.100 0.080 0.000 1.142 533 T CB -0.455 68.455 68.868 0.070 0.000 0.866 533 T HN 0.715 nan 8.240 nan 0.000 0.444 534 I N 0.039 120.686 120.570 0.129 0.000 2.716 534 I HA 0.071 4.234 4.170 -0.013 0.000 0.259 534 I C 2.155 178.344 176.117 0.121 0.000 1.172 534 I CA 1.124 62.532 61.300 0.181 0.000 1.478 534 I CB -0.493 37.593 38.000 0.143 0.000 1.104 534 I HN 0.060 nan 8.210 nan 0.000 0.439 535 Q N 0.905 120.740 119.800 0.059 0.000 2.124 535 Q HA -0.209 4.124 4.340 -0.013 0.000 0.202 535 Q C 2.189 178.150 176.000 -0.064 0.000 0.977 535 Q CA 1.742 57.548 55.803 0.005 0.000 0.850 535 Q CB -0.316 28.430 28.738 0.012 0.000 0.901 535 Q HN 0.661 nan 8.270 nan 0.000 0.429 536 E N 0.101 120.258 120.200 -0.072 0.000 2.209 536 E HA -0.209 4.133 4.350 -0.013 0.000 0.196 536 E C 1.229 177.626 176.600 -0.339 0.000 0.993 536 E CA 0.803 57.096 56.400 -0.179 0.000 0.819 536 E CB 0.122 29.705 29.700 -0.196 0.000 0.745 536 E HN 0.545 nan 8.360 nan 0.000 0.477 537 H N -1.332 117.580 119.070 -0.263 0.000 2.539 537 H HA 0.096 4.644 4.556 -0.013 0.000 0.267 537 H C 1.163 175.994 175.328 -0.828 0.000 0.982 537 H CA 0.744 56.492 56.048 -0.501 0.000 1.146 537 H CB 0.777 30.226 29.762 -0.522 0.000 1.382 537 H HN 0.351 nan 8.280 nan 0.000 0.577 538 G N 0.787 109.316 108.800 -0.451 0.000 2.147 538 G HA2 -0.277 3.675 3.960 -0.013 0.000 0.244 538 G HA3 -0.277 3.675 3.960 -0.013 0.000 0.244 538 G C -0.392 174.280 174.900 -0.380 0.000 1.005 538 G CA -0.150 44.755 45.100 -0.325 0.000 0.713 538 G HN 0.443 nan 8.290 nan 0.000 0.515 539 Y N 0.527 120.744 120.300 -0.138 0.000 2.334 539 Y HA 0.507 5.049 4.550 -0.013 0.000 0.328 539 Y C -1.502 174.412 175.900 0.024 0.000 1.130 539 Y CA -2.532 55.489 58.100 -0.131 0.000 1.163 539 Y CB 1.361 39.720 38.460 -0.169 0.000 1.207 539 Y HN 0.013 nan 8.280 nan 0.000 0.471 540 P HA 0.061 nan 4.420 nan 0.000 0.271 540 P C -0.543 176.837 177.300 0.133 0.000 1.216 540 P CA -0.145 63.059 63.100 0.173 0.000 0.776 540 P CB 1.000 32.805 31.700 0.176 0.000 0.881 541 T N 0.186 114.798 114.554 0.096 0.000 2.916 541 T HA 0.771 5.113 4.350 -0.013 0.000 0.292 541 T C -0.185 174.550 174.700 0.058 0.000 1.055 541 T CA -0.844 61.301 62.100 0.076 0.000 1.009 541 T CB 1.175 70.083 68.868 0.067 0.000 1.118 541 T HN 0.223 nan 8.240 nan 0.000 0.497 542 I N 1.630 122.230 120.570 0.050 0.000 2.498 542 I HA 0.389 4.551 4.170 -0.013 0.000 0.290 542 I C -0.325 175.813 176.117 0.035 0.000 1.032 542 I CA -0.854 60.469 61.300 0.039 0.000 1.073 542 I CB 2.079 40.101 38.000 0.036 0.000 1.251 542 I HN 0.761 nan 8.210 nan 0.000 0.426 543 N N 5.909 124.627 118.700 0.029 0.000 2.439 543 N HA 0.363 5.095 4.740 -0.013 0.000 0.249 543 N C 0.326 175.849 175.510 0.022 0.000 1.003 543 N CA -0.383 52.683 53.050 0.026 0.000 0.942 543 N CB 0.843 39.344 38.487 0.023 0.000 1.115 543 N HN 0.622 nan 8.380 nan 0.000 0.505 544 L N 3.034 124.270 121.223 0.021 0.000 2.607 544 L HA 0.358 4.690 4.340 -0.013 0.000 0.228 544 L C 1.290 178.168 176.870 0.014 0.000 1.123 544 L CA 0.017 54.867 54.840 0.017 0.000 0.890 544 L CB -0.690 41.379 42.059 0.017 0.000 1.103 544 L HN 0.830 nan 8.230 nan 0.000 0.468 545 G N 1.069 109.879 108.800 0.016 0.000 2.698 545 G HA2 -0.279 3.674 3.960 -0.013 0.000 0.233 545 G HA3 -0.279 3.674 3.960 -0.013 0.000 0.233 545 G C -0.332 174.577 174.900 0.013 0.000 1.352 545 G CA -0.598 44.510 45.100 0.014 0.000 0.879 545 G HN 0.075 nan 8.290 nan 0.000 0.567 546 I N 0.217 120.794 120.570 0.011 0.000 2.371 546 I HA 0.426 4.588 4.170 -0.013 0.000 0.290 546 I C 0.515 176.636 176.117 0.007 0.000 1.028 546 I CA -0.648 60.659 61.300 0.011 0.000 1.345 546 I CB 1.375 39.381 38.000 0.011 0.000 1.407 546 I HN 0.352 nan 8.210 nan 0.000 0.501 547 V N 5.577 125.495 119.914 0.007 0.000 2.459 547 V HA 0.449 4.561 4.120 -0.013 0.000 0.295 547 V C 0.817 176.909 176.094 -0.002 0.000 1.029 547 V CA -0.723 61.577 62.300 -0.000 0.000 0.874 547 V CB 1.508 33.331 31.823 0.000 0.000 0.985 547 V HN 0.913 nan 8.190 nan 0.000 0.438 548 G N 1.777 110.569 108.800 -0.013 0.000 2.559 548 G HA2 0.100 4.052 3.960 -0.013 0.000 0.235 548 G HA3 0.100 4.052 3.960 -0.013 0.000 0.235 548 G C 0.047 174.934 174.900 -0.023 0.000 1.266 548 G CA -0.129 44.960 45.100 -0.018 0.000 0.847 548 G HN 0.756 nan 8.290 nan 0.000 0.583 549 D N 0.159 120.554 120.400 -0.009 0.000 2.688 549 D HA 0.139 4.771 4.640 -0.013 0.000 0.228 549 D C 0.173 176.407 176.300 -0.110 0.000 1.116 549 D CA -0.296 53.717 54.000 0.021 0.000 1.023 549 D CB -0.755 40.106 40.800 0.102 0.000 1.100 549 D HN 0.568 nan 8.370 nan 0.000 0.487 550 N N -1.000 117.564 118.700 -0.227 0.000 2.277 550 N HA 0.421 5.153 4.740 -0.013 0.000 0.286 550 N C -2.500 172.808 175.510 -0.336 0.000 1.140 550 N CA -1.390 51.355 53.050 -0.509 0.000 0.799 550 N CB 1.921 40.193 38.487 -0.358 0.000 1.596 550 N HN -0.323 nan 8.380 nan 0.000 0.473 551 P HA -0.156 nan 4.420 nan 0.000 0.216 551 P C -0.132 177.112 177.300 -0.094 0.000 1.150 551 P CA 1.465 64.482 63.100 -0.139 0.000 0.843 551 P CB 0.033 31.679 31.700 -0.089 0.000 0.787 552 D N -0.552 119.783 120.400 -0.109 0.000 2.078 552 D HA -0.166 4.467 4.640 -0.013 0.000 0.193 552 D C 1.532 177.797 176.300 -0.058 0.000 0.990 552 D CA 1.278 55.236 54.000 -0.070 0.000 0.827 552 D CB -1.055 39.704 40.800 -0.068 0.000 0.975 552 D HN 0.132 nan 8.370 nan 0.000 0.451 553 D N -0.134 120.226 120.400 -0.067 0.000 2.178 553 D HA -0.062 4.570 4.640 -0.013 0.000 0.202 553 D C 2.025 178.302 176.300 -0.038 0.000 0.974 553 D CA 0.254 54.225 54.000 -0.048 0.000 0.841 553 D CB -0.102 40.668 40.800 -0.050 0.000 0.953 553 D HN 0.078 nan 8.370 nan 0.000 0.478 554 L N 0.415 121.612 121.223 -0.044 0.000 2.056 554 L HA -0.098 4.234 4.340 -0.013 0.000 0.207 554 L C 2.282 179.138 176.870 -0.024 0.000 1.078 554 L CA 0.911 55.736 54.840 -0.025 0.000 0.749 554 L CB -0.957 41.095 42.059 -0.012 0.000 0.901 554 L HN 0.135 nan 8.230 nan 0.000 0.433 555 L N 0.387 121.592 121.223 -0.029 0.000 1.994 555 L HA -0.171 4.161 4.340 -0.013 0.000 0.208 555 L C 2.240 179.097 176.870 -0.021 0.000 1.071 555 L CA 1.691 56.516 54.840 -0.026 0.000 0.745 555 L CB -0.867 41.176 42.059 -0.027 0.000 0.892 555 L HN 0.260 nan 8.230 nan 0.000 0.431 556 N N 0.131 118.818 118.700 -0.021 0.000 2.149 556 N HA -0.147 4.585 4.740 -0.013 0.000 0.188 556 N C 1.779 177.282 175.510 -0.012 0.000 1.019 556 N CA 1.520 54.561 53.050 -0.016 0.000 0.857 556 N CB -0.417 38.060 38.487 -0.017 0.000 0.997 556 N HN 0.545 nan 8.380 nan 0.000 0.426 557 A N 0.949 123.762 122.820 -0.012 0.000 1.897 557 A HA 0.013 4.325 4.320 -0.013 0.000 0.215 557 A C 2.397 179.977 177.584 -0.006 0.000 1.181 557 A CA 0.729 52.762 52.037 -0.007 0.000 0.620 557 A CB -0.593 18.404 19.000 -0.006 0.000 0.821 557 A HN 0.181 nan 8.150 nan 0.000 0.443 558 L N -0.319 120.896 121.223 -0.012 0.000 2.056 558 L HA -0.164 4.168 4.340 -0.013 0.000 0.207 558 L C 2.251 179.112 176.870 -0.015 0.000 1.078 558 L CA 1.032 55.862 54.840 -0.016 0.000 0.749 558 L CB -0.572 41.471 42.059 -0.028 0.000 0.901 558 L HN 0.330 nan 8.230 nan 0.000 0.433 559 N N 0.044 118.736 118.700 -0.013 0.000 2.166 559 N HA -0.241 4.492 4.740 -0.013 0.000 0.186 559 N C 1.735 177.242 175.510 -0.006 0.000 1.019 559 N CA 1.317 54.361 53.050 -0.010 0.000 0.856 559 N CB -0.105 38.377 38.487 -0.008 0.000 0.993 559 N HN 0.427 nan 8.380 nan 0.000 0.426 560 E N 0.009 120.207 120.200 -0.004 0.000 2.106 560 E HA -0.074 4.269 4.350 -0.013 0.000 0.192 560 E C 1.927 178.529 176.600 0.004 0.000 0.984 560 E CA 1.163 57.564 56.400 0.001 0.000 0.806 560 E CB -0.281 29.420 29.700 0.002 0.000 0.750 560 E HN 0.334 nan 8.360 nan 0.000 0.458 561 G N 0.977 109.779 108.800 0.003 0.000 2.408 561 G HA2 -0.199 3.754 3.960 -0.013 0.000 0.217 561 G HA3 -0.199 3.754 3.960 -0.013 0.000 0.217 561 G C 1.563 176.465 174.900 0.004 0.000 1.150 561 G CA 0.688 45.793 45.100 0.008 0.000 0.776 561 G HN 0.253 nan 8.290 nan 0.000 0.542 562 I N 1.701 122.268 120.570 -0.004 0.000 2.315 562 I HA -0.173 3.989 4.170 -0.013 0.000 0.248 562 I C 3.083 179.199 176.117 -0.003 0.000 1.117 562 I CA 1.498 62.793 61.300 -0.008 0.000 1.404 562 I CB -0.036 37.954 38.000 -0.016 0.000 1.071 562 I HN 0.336 nan 8.210 nan 0.000 0.419 563 S N 0.441 116.140 115.700 -0.000 0.000 2.436 563 S HA -0.042 4.421 4.470 -0.013 0.000 0.228 563 S C 2.017 176.621 174.600 0.007 0.000 1.014 563 S CA 0.454 58.656 58.200 0.002 0.000 0.950 563 S CB -0.126 63.075 63.200 0.002 0.000 0.784 563 S HN 0.376 nan 8.310 nan 0.000 0.504 564 R N 0.550 121.056 120.500 0.010 0.000 2.307 564 R HA 0.554 4.887 4.340 -0.013 0.000 0.200 564 R C 0.606 176.918 176.300 0.021 0.000 0.893 564 R CA 0.598 56.708 56.100 0.016 0.000 1.042 564 R CB 0.638 30.948 30.300 0.017 0.000 1.059 564 R HN 0.480 nan 8.270 nan 0.000 0.530 565 A N -0.347 122.484 122.820 0.019 0.000 2.486 565 A HA 0.372 4.684 4.320 -0.013 0.000 0.289 565 A C -0.581 177.014 177.584 0.018 0.000 1.176 565 A CA -0.750 51.302 52.037 0.025 0.000 0.757 565 A CB 1.305 20.323 19.000 0.030 0.000 1.337 565 A HN -0.039 nan 8.150 nan 0.000 0.423 566 D N -0.908 119.505 120.400 0.022 0.000 2.262 566 D HA 0.172 4.804 4.640 -0.013 0.000 0.212 566 D C -0.017 176.295 176.300 0.019 0.000 0.964 566 D CA 1.370 55.379 54.000 0.014 0.000 0.875 566 D CB 0.609 41.416 40.800 0.012 0.000 0.996 566 D HN 0.196 nan 8.370 nan 0.000 0.497 567 V N 1.868 121.805 119.914 0.037 0.000 2.656 567 V HA 0.391 4.503 4.120 -0.013 0.000 0.307 567 V C -0.224 175.916 176.094 0.077 0.000 1.051 567 V CA -0.721 61.624 62.300 0.076 0.000 0.893 567 V CB 2.960 34.851 31.823 0.113 0.000 0.999 567 V HN -0.065 nan 8.190 nan 0.000 0.426 568 I N 5.027 125.649 120.570 0.086 0.000 2.433 568 I HA 0.541 4.704 4.170 -0.013 0.000 0.292 568 I C -0.891 175.312 176.117 0.143 0.000 1.001 568 I CA -0.477 60.870 61.300 0.078 0.000 1.119 568 I CB 2.026 40.044 38.000 0.029 0.000 1.289 568 I HN 0.438 nan 8.210 nan 0.000 0.438 569 I N 4.757 125.401 120.570 0.124 0.000 2.436 569 I HA 0.364 4.527 4.170 -0.013 0.000 0.289 569 I C -0.058 176.110 176.117 0.085 0.000 1.010 569 I CA -0.286 61.097 61.300 0.138 0.000 1.098 569 I CB 2.266 40.324 38.000 0.096 0.000 1.266 569 I HN 0.469 nan 8.210 nan 0.000 0.434 570 T N 3.832 118.437 114.554 0.085 0.000 2.916 570 T HA 0.735 5.077 4.350 -0.013 0.000 0.292 570 T C -0.817 173.920 174.700 0.063 0.000 1.055 570 T CA -0.456 61.678 62.100 0.058 0.000 1.009 570 T CB 1.408 70.299 68.868 0.039 0.000 1.118 570 T HN 0.707 nan 8.240 nan 0.000 0.497 571 S N 0.810 116.541 115.700 0.050 0.000 2.546 571 S HA 0.911 5.373 4.470 -0.013 0.000 0.274 571 S C -0.215 174.411 174.600 0.044 0.000 1.121 571 S CA -0.285 57.946 58.200 0.051 0.000 0.887 571 S CB 1.481 64.710 63.200 0.049 0.000 1.094 571 S HN 1.686 nan 8.310 nan 0.000 0.474 572 G N -0.070 108.757 108.800 0.046 0.000 2.801 572 G HA2 0.476 4.428 3.960 -0.013 0.000 0.648 572 G HA3 0.476 4.428 3.960 -0.013 0.000 0.648 572 G C 0.427 175.353 174.900 0.044 0.000 1.415 572 G CA -0.065 45.061 45.100 0.043 0.000 0.887 572 G HN 2.193 nan 8.290 nan 0.000 0.627 573 G N -0.438 108.389 108.800 0.043 0.000 2.293 573 G HA2 0.116 4.069 3.960 -0.013 0.000 0.271 573 G HA3 0.116 4.069 3.960 -0.013 0.000 0.271 573 G C 0.971 175.893 174.900 0.037 0.000 0.857 573 G CA 1.042 46.167 45.100 0.042 0.000 1.221 573 G HN 2.224 nan 8.290 nan 0.000 0.445 574 V N -0.977 118.959 119.914 0.036 0.000 3.176 574 V HA 0.379 4.492 4.120 -0.013 0.000 0.332 574 V C 1.686 177.803 176.094 0.038 0.000 1.414 574 V CA 0.537 62.854 62.300 0.028 0.000 1.133 574 V CB -0.420 31.418 31.823 0.023 0.000 1.088 574 V HN 0.911 nan 8.190 nan 0.000 0.473 575 S N 1.759 117.484 115.700 0.041 0.000 2.373 575 S HA 0.048 4.510 4.470 -0.013 0.000 0.219 575 S C 1.513 176.143 174.600 0.051 0.000 1.377 575 S CA 0.866 59.096 58.200 0.049 0.000 1.021 575 S CB -0.114 63.112 63.200 0.044 0.000 0.777 575 S HN 0.250 nan 8.310 nan 0.000 0.463 576 M N 1.083 120.711 119.600 0.048 0.000 2.216 576 M HA 0.296 4.768 4.480 -0.013 0.000 0.264 576 M C 1.508 177.827 176.300 0.032 0.000 1.080 576 M CA 0.731 56.060 55.300 0.048 0.000 1.153 576 M CB -2.313 30.315 32.600 0.048 0.000 1.356 576 M HN 0.707 nan 8.290 nan 0.000 0.432 577 G N 1.400 110.213 108.800 0.022 0.000 2.370 577 G HA2 0.417 4.370 3.960 -0.013 0.000 0.272 577 G HA3 0.417 4.370 3.960 -0.013 0.000 0.272 577 G C -0.603 174.298 174.900 0.003 0.000 1.208 577 G CA -0.197 44.907 45.100 0.007 0.000 0.856 577 G HN 0.495 nan 8.290 nan 0.000 0.500 578 E N 0.689 120.876 120.200 -0.022 0.000 8.073 578 E HA -0.258 4.084 4.350 -0.013 0.000 0.466 578 E C 0.480 177.073 176.600 -0.012 0.000 0.782 578 E CA 0.746 57.127 56.400 -0.032 0.000 1.366 578 E CB -0.257 29.442 29.700 -0.002 0.000 0.986 578 E HN 1.022 nan 8.360 nan 0.000 0.263 579 K N -0.613 119.772 120.400 -0.025 0.000 2.496 579 K HA -0.146 4.166 4.320 -0.013 0.000 0.393 579 K C 0.350 176.925 176.600 -0.042 0.000 0.697 579 K CA 0.706 56.983 56.287 -0.017 0.000 1.690 579 K CB -1.205 31.307 32.500 0.021 0.000 0.954 579 K HN 0.266 nan 8.250 nan 0.000 0.502 580 D N 1.472 121.820 120.400 -0.087 0.000 2.708 580 D HA -0.238 4.394 4.640 -0.013 0.000 0.217 580 D C 1.758 177.980 176.300 -0.131 0.000 1.094 580 D CA 2.698 56.591 54.000 -0.179 0.000 0.941 580 D CB -0.987 39.545 40.800 -0.446 0.000 1.220 580 D HN 0.492 nan 8.370 nan 0.000 0.495 581 Y N -0.318 119.983 120.300 0.001 0.000 2.165 581 Y HA -0.161 4.391 4.550 0.003 0.000 0.286 581 Y C 2.417 178.298 175.900 -0.032 0.000 1.155 581 Y CA 0.259 58.352 58.100 -0.012 0.000 1.164 581 Y CB -0.274 38.180 38.460 -0.010 0.000 0.978 581 Y HN 0.008 nan 8.280 nan 0.000 0.513 582 L N 0.671 121.955 121.223 0.101 0.000 2.027 582 L HA -0.161 4.171 4.340 -0.013 0.000 0.206 582 L C 1.972 178.803 176.870 -0.065 0.000 1.074 582 L CA 1.799 56.646 54.840 0.011 0.000 0.745 582 L CB -0.579 41.473 42.059 -0.012 0.000 0.898 582 L HN 0.023 nan 8.230 nan 0.000 0.433 583 K N -0.977 119.358 120.400 -0.107 0.000 2.097 583 K HA -0.218 4.094 4.320 -0.013 0.000 0.205 583 K C 2.098 178.646 176.600 -0.086 0.000 1.050 583 K CA 1.524 57.681 56.287 -0.216 0.000 0.938 583 K CB -0.206 32.079 32.500 -0.357 0.000 0.718 583 K HN 0.465 nan 8.250 nan 0.000 0.442 584 Q N 1.020 120.821 119.800 0.003 0.000 2.096 584 Q HA -0.165 4.167 4.340 -0.013 0.000 0.204 584 Q C 2.094 178.090 176.000 -0.008 0.000 0.982 584 Q CA 1.697 57.521 55.803 0.034 0.000 0.850 584 Q CB 0.014 28.794 28.738 0.071 0.000 0.901 584 Q HN 0.264 nan 8.270 nan 0.000 0.422 585 V N -0.286 119.622 119.914 -0.011 0.000 2.591 585 V HA -0.144 3.968 4.120 -0.013 0.000 0.249 585 V C 1.962 178.000 176.094 -0.093 0.000 1.053 585 V CA 1.102 63.376 62.300 -0.044 0.000 1.068 585 V CB -0.273 31.537 31.823 -0.022 0.000 0.689 585 V HN 0.397 nan 8.190 nan 0.000 0.462 586 L N 0.405 121.560 121.223 -0.113 0.000 2.027 586 L HA -0.106 4.226 4.340 -0.013 0.000 0.206 586 L C 2.533 179.305 176.870 -0.162 0.000 1.074 586 L CA 2.321 57.071 54.840 -0.150 0.000 0.745 586 L CB -0.767 41.169 42.059 -0.205 0.000 0.898 586 L HN 0.426 nan 8.230 nan 0.000 0.433 587 D N 0.353 120.668 120.400 -0.142 0.000 2.077 587 D HA -0.158 4.474 4.640 -0.013 0.000 0.196 587 D C 2.086 178.244 176.300 -0.236 0.000 0.986 587 D CA 1.599 55.529 54.000 -0.117 0.000 0.829 587 D CB 0.059 40.866 40.800 0.012 0.000 0.983 587 D HN 0.226 nan 8.370 nan 0.000 0.453 588 I N 0.122 120.559 120.570 -0.220 0.000 2.339 588 I HA -0.069 4.093 4.170 -0.013 0.000 0.245 588 I C 1.642 177.478 176.117 -0.469 0.000 1.096 588 I CA 0.741 61.861 61.300 -0.301 0.000 1.408 588 I CB -0.071 37.854 38.000 -0.124 0.000 1.092 588 I HN -0.025 nan 8.210 nan 0.000 0.423 589 D N 0.614 120.848 120.400 -0.277 0.000 2.201 589 D HA 0.042 4.674 4.640 -0.013 0.000 0.209 589 D C 2.310 178.544 176.300 -0.110 0.000 0.961 589 D CA 1.074 54.976 54.000 -0.163 0.000 0.861 589 D CB 0.171 40.927 40.800 -0.073 0.000 0.997 589 D HN 0.259 nan 8.370 nan 0.000 0.486 590 L N -0.174 120.975 121.223 -0.124 0.000 2.307 590 L HA 0.045 4.377 4.340 -0.013 0.000 0.211 590 L C 0.178 177.096 176.870 0.080 0.000 1.099 590 L CA 0.410 55.242 54.840 -0.013 0.000 0.816 590 L CB -0.192 41.835 42.059 -0.053 0.000 0.952 590 L HN 0.181 nan 8.230 nan 0.000 0.455 591 H N -1.382 117.653 119.070 -0.058 0.000 2.903 591 H HA -0.112 4.438 4.556 -0.011 0.000 0.285 591 H C 0.600 175.873 175.328 -0.092 0.000 1.231 591 H CA 0.268 56.279 56.048 -0.061 0.000 1.135 591 H CB -1.607 28.127 29.762 -0.047 0.000 1.328 591 H HN 0.445 nan 8.280 nan 0.000 0.388 592 A N 0.762 123.542 122.820 -0.067 0.000 2.332 592 A HA 0.316 4.628 4.320 -0.013 0.000 0.258 592 A C 0.813 178.280 177.584 -0.195 0.000 1.087 592 A CA -0.253 51.699 52.037 -0.141 0.000 0.802 592 A CB 0.768 19.651 19.000 -0.196 0.000 1.042 592 A HN 0.282 nan 8.150 nan 0.000 0.489 593 Q N 1.140 120.765 119.800 -0.292 0.000 2.398 593 Q HA 0.359 4.692 4.340 -0.013 0.000 0.251 593 Q C -1.040 174.539 176.000 -0.701 0.000 0.999 593 Q CA -0.026 55.530 55.803 -0.412 0.000 0.874 593 Q CB 0.818 29.315 28.738 -0.402 0.000 1.215 593 Q HN 0.646 nan 8.270 nan 0.000 0.470 594 I N 4.692 124.959 120.570 -0.505 0.000 2.379 594 I HA 0.011 4.173 4.170 -0.013 0.000 0.290 594 I C 1.428 177.274 176.117 -0.452 0.000 1.063 594 I CA -0.240 60.750 61.300 -0.518 0.000 1.351 594 I CB 0.552 38.272 38.000 -0.467 0.000 1.410 594 I HN 0.566 nan 8.210 nan 0.000 0.505 595 H N 6.582 125.499 119.070 -0.255 0.000 2.384 595 H HA 0.104 4.652 4.556 -0.012 0.000 0.300 595 H C -0.094 175.318 175.328 0.140 0.000 1.057 595 H CA 1.041 57.067 56.048 -0.036 0.000 1.370 595 H CB 0.260 30.050 29.762 0.046 0.000 1.417 595 H HN 0.552 nan 8.280 nan 0.000 0.527 596 F N -2.761 117.274 119.950 0.142 0.000 2.631 596 F HA 0.615 5.135 4.527 -0.012 0.000 0.308 596 F C 0.727 176.544 175.800 0.028 0.000 1.097 596 F CA -1.016 57.044 58.000 0.100 0.000 0.952 596 F CB 1.316 40.373 39.000 0.095 0.000 1.307 596 F HN -0.136 nan 8.300 nan 0.000 0.450 597 G N 0.717 109.675 108.800 0.264 0.000 2.833 597 G HA2 0.362 4.314 3.960 -0.013 0.000 0.214 597 G HA3 0.362 4.314 3.960 -0.013 0.000 0.214 597 G C -0.078 174.949 174.900 0.211 0.000 1.075 597 G CA -0.361 44.813 45.100 0.125 0.000 0.799 597 G HN 0.484 nan 8.290 nan 0.000 0.541 598 R N -0.399 120.269 120.500 0.280 0.000 2.604 598 R HA 0.562 4.894 4.340 -0.013 0.000 0.281 598 R C -1.854 174.565 176.300 0.199 0.000 1.020 598 R CA -0.609 55.624 56.100 0.222 0.000 0.899 598 R CB 3.069 33.480 30.300 0.186 0.000 1.205 598 R HN 0.048 nan 8.270 nan 0.000 0.450 599 V N 3.251 123.263 119.914 0.163 0.000 2.588 599 V HA 0.477 4.589 4.120 -0.013 0.000 0.304 599 V C -0.942 175.264 176.094 0.186 0.000 1.042 599 V CA -0.714 61.648 62.300 0.104 0.000 0.877 599 V CB 1.565 33.364 31.823 -0.040 0.000 0.996 599 V HN 0.787 nan 8.190 nan 0.000 0.425 600 F N 9.227 129.205 119.950 0.047 0.000 2.662 600 F HA 0.506 5.025 4.527 -0.013 0.000 0.343 600 F C 0.204 176.054 175.800 0.083 0.000 1.302 600 F CA 0.348 58.382 58.000 0.057 0.000 1.142 600 F CB -0.160 38.861 39.000 0.035 0.000 1.524 600 F HN 0.770 nan 8.300 nan 0.000 0.668 601 M N 3.384 122.923 119.600 -0.101 0.000 2.773 601 M HA 0.482 4.954 4.480 -0.013 0.000 0.270 601 M C -2.072 174.190 176.300 -0.064 0.000 1.238 601 M CA -1.119 54.153 55.300 -0.046 0.000 0.832 601 M CB 2.387 35.096 32.600 0.183 0.000 1.672 601 M HN 0.140 nan 8.290 nan 0.000 0.480 602 K N 1.949 122.337 120.400 -0.021 0.000 2.578 602 K HA 0.661 4.973 4.320 -0.013 0.000 0.250 602 K C -3.049 173.601 176.600 0.084 0.000 0.955 602 K CA -1.372 54.913 56.287 -0.004 0.000 0.825 602 K CB 2.754 35.208 32.500 -0.076 0.000 1.151 602 K HN 0.467 nan 8.250 nan 0.000 0.432 603 P HA 0.357 nan 4.420 nan 0.000 0.284 603 P C -0.004 177.365 177.300 0.115 0.000 1.287 603 P CA 0.053 63.213 63.100 0.099 0.000 0.824 603 P CB 1.246 33.006 31.700 0.100 0.000 1.180 604 G N -0.681 108.182 108.800 0.105 0.000 2.138 604 G HA2 -0.207 3.745 3.960 -0.013 0.000 0.193 604 G HA3 -0.207 3.745 3.960 -0.013 0.000 0.193 604 G C 0.617 175.605 174.900 0.146 0.000 0.998 604 G CA 0.073 45.253 45.100 0.132 0.000 0.668 604 G HN 0.551 nan 8.290 nan 0.000 0.516 605 L N 1.490 122.780 121.223 0.111 0.000 2.010 605 L HA -0.028 4.304 4.340 -0.013 0.000 0.219 605 L C -0.914 176.038 176.870 0.137 0.000 1.077 605 L CA 3.255 58.163 54.840 0.113 0.000 0.773 605 L CB -1.599 40.508 42.059 0.079 0.000 0.892 605 L HN 0.352 nan 8.230 nan 0.000 0.436 606 P HA 0.095 nan 4.420 nan 0.000 0.218 606 P C -0.753 176.624 177.300 0.128 0.000 1.793 606 P CA 0.006 63.177 63.100 0.118 0.000 0.941 606 P CB -0.639 31.114 31.700 0.088 0.000 1.919 607 T N 0.471 115.131 114.554 0.177 0.000 2.795 607 T HA 0.397 4.739 4.350 -0.013 0.000 0.282 607 T C 0.268 175.085 174.700 0.195 0.000 0.980 607 T CA 0.073 62.291 62.100 0.197 0.000 1.012 607 T CB 0.889 69.911 68.868 0.256 0.000 0.936 607 T HN 0.019 nan 8.240 nan 0.000 0.457 608 T N 3.372 117.961 114.554 0.059 0.000 2.856 608 T HA 0.613 4.955 4.350 -0.013 0.000 0.283 608 T C -1.280 173.251 174.700 -0.282 0.000 1.008 608 T CA -0.504 61.509 62.100 -0.146 0.000 0.997 608 T CB 0.807 69.569 68.868 -0.176 0.000 0.992 608 T HN 0.466 nan 8.240 nan 0.000 0.454 609 F N 2.651 122.065 119.950 -0.893 0.000 2.536 609 F HA 0.731 5.250 4.527 -0.013 0.000 0.322 609 F C -0.759 174.667 175.800 -0.623 0.000 1.144 609 F CA -0.939 56.516 58.000 -0.907 0.000 0.924 609 F CB 0.714 38.912 39.000 -1.337 0.000 1.181 609 F HN 0.721 nan 8.300 nan 0.000 0.438 610 A N 3.185 125.335 122.820 -1.117 0.000 2.469 610 A HA 0.870 5.183 4.320 -0.013 0.000 0.299 610 A C -0.845 176.192 177.584 -0.912 0.000 1.098 610 A CA -0.339 51.159 52.037 -0.900 0.000 0.737 610 A CB 1.517 20.170 19.000 -0.577 0.000 1.312 610 A HN 0.893 nan 8.150 nan 0.000 0.414 611 T N -0.780 113.428 114.554 -0.578 0.000 2.900 611 T HA 0.693 5.035 4.350 -0.013 0.000 0.295 611 T C -0.930 173.639 174.700 -0.219 0.000 1.044 611 T CA -0.602 61.297 62.100 -0.334 0.000 0.995 611 T CB 1.312 70.106 68.868 -0.123 0.000 1.072 611 T HN 0.720 nan 8.240 nan 0.000 0.473 612 L N 2.113 123.245 121.223 -0.152 0.000 2.376 612 L HA 0.459 4.792 4.340 -0.013 0.000 0.275 612 L C -1.242 175.590 176.870 -0.064 0.000 0.987 612 L CA -0.740 54.039 54.840 -0.100 0.000 0.828 612 L CB 1.602 43.607 42.059 -0.089 0.000 1.249 612 L HN 0.795 nan 8.230 nan 0.000 0.409 613 D N 5.972 126.343 120.400 -0.047 0.000 2.359 613 D HA 0.343 4.975 4.640 -0.013 0.000 0.230 613 D C -0.501 175.781 176.300 -0.030 0.000 1.118 613 D CA 0.007 53.987 54.000 -0.033 0.000 0.844 613 D CB 2.391 43.176 40.800 -0.025 0.000 1.059 613 D HN 0.162 nan 8.370 nan 0.000 0.493 614 I N 2.612 123.167 120.570 -0.026 0.000 2.468 614 I HA 0.085 4.247 4.170 -0.013 0.000 0.285 614 I C -0.755 175.351 176.117 -0.019 0.000 1.039 614 I CA -0.569 60.718 61.300 -0.023 0.000 1.074 614 I CB 1.140 39.127 38.000 -0.022 0.000 1.228 614 I HN 0.272 nan 8.210 nan 0.000 0.436 615 D N 6.057 126.446 120.400 -0.019 0.000 2.689 615 D HA -0.182 4.450 4.640 -0.013 0.000 0.237 615 D C 1.242 177.535 176.300 -0.012 0.000 1.148 615 D CA 1.547 55.538 54.000 -0.015 0.000 0.656 615 D CB -1.101 39.692 40.800 -0.012 0.000 1.050 615 D HN 1.163 nan 8.370 nan 0.000 0.426 616 G N -2.477 106.315 108.800 -0.013 0.000 2.245 616 G HA2 -0.334 3.619 3.960 -0.013 0.000 0.264 616 G HA3 -0.334 3.619 3.960 -0.013 0.000 0.264 616 G C 0.447 175.341 174.900 -0.010 0.000 0.985 616 G CA 0.440 45.533 45.100 -0.011 0.000 0.625 616 G HN 0.649 nan 8.290 nan 0.000 0.536 617 V N 0.858 120.766 119.914 -0.011 0.000 2.547 617 V HA 0.670 4.782 4.120 -0.013 0.000 0.299 617 V C 0.635 176.719 176.094 -0.016 0.000 1.040 617 V CA -0.600 61.694 62.300 -0.011 0.000 0.913 617 V CB 1.749 33.567 31.823 -0.008 0.000 0.992 617 V HN 0.492 nan 8.190 nan 0.000 0.449 618 R N 4.080 124.570 120.500 -0.017 0.000 2.295 618 R HA 0.448 4.780 4.340 -0.013 0.000 0.324 618 R C -0.717 175.566 176.300 -0.029 0.000 0.968 618 R CA -0.634 55.451 56.100 -0.025 0.000 0.837 618 R CB 0.727 31.015 30.300 -0.020 0.000 1.133 618 R HN 0.517 nan 8.270 nan 0.000 0.450 619 K N 5.769 126.141 120.400 -0.045 0.000 2.123 619 K HA 0.345 4.657 4.320 -0.013 0.000 0.259 619 K C 0.089 176.635 176.600 -0.090 0.000 0.960 619 K CA -0.657 55.600 56.287 -0.050 0.000 0.872 619 K CB 1.651 34.122 32.500 -0.050 0.000 1.079 619 K HN 0.712 nan 8.250 nan 0.000 0.440 620 I N -0.501 120.022 120.570 -0.079 0.000 2.530 620 I HA 0.579 4.741 4.170 -0.013 0.000 0.297 620 I C -0.750 175.260 176.117 -0.179 0.000 1.011 620 I CA -1.037 60.163 61.300 -0.168 0.000 1.107 620 I CB 1.338 39.305 38.000 -0.055 0.000 1.285 620 I HN 0.415 nan 8.210 nan 0.000 0.436 621 I N 5.309 125.655 120.570 -0.372 0.000 2.498 621 I HA 0.453 4.616 4.170 -0.013 0.000 0.290 621 I C -1.292 174.618 176.117 -0.345 0.000 1.032 621 I CA -0.307 60.844 61.300 -0.248 0.000 1.073 621 I CB 2.117 39.977 38.000 -0.232 0.000 1.251 621 I HN 0.470 nan 8.210 nan 0.000 0.426 622 F N 4.326 124.278 119.950 0.004 0.000 2.477 622 F HA 0.637 5.155 4.527 -0.015 0.000 0.335 622 F C 0.251 176.049 175.800 -0.002 0.000 1.130 622 F CA -0.688 57.336 58.000 0.041 0.000 0.948 622 F CB 2.000 41.056 39.000 0.093 0.000 1.154 622 F HN 0.427 nan 8.300 nan 0.000 0.439 623 A N 6.119 129.016 122.820 0.129 0.000 2.341 623 A HA 0.711 5.024 4.320 -0.013 0.000 0.326 623 A C -0.600 177.052 177.584 0.113 0.000 1.402 623 A CA -0.468 51.614 52.037 0.076 0.000 0.957 623 A CB -0.053 18.939 19.000 -0.013 0.000 1.151 623 A HN 0.782 nan 8.150 nan 0.000 0.533 624 L N 3.002 124.298 121.223 0.123 0.000 2.399 624 L HA 0.414 4.746 4.340 -0.013 0.000 0.265 624 L C -2.115 174.809 176.870 0.090 0.000 1.089 624 L CA -2.252 52.661 54.840 0.121 0.000 0.802 624 L CB 1.035 43.157 42.059 0.105 0.000 1.180 624 L HN 0.372 nan 8.230 nan 0.000 0.454 625 P HA 0.036 nan 4.420 nan 0.000 0.271 625 P C 0.476 177.813 177.300 0.062 0.000 1.233 625 P CA -0.142 63.003 63.100 0.075 0.000 0.789 625 P CB 0.592 32.341 31.700 0.082 0.000 0.951 626 G N 0.454 109.286 108.800 0.053 0.000 2.623 626 G HA2 -0.118 3.835 3.960 -0.013 0.000 0.214 626 G HA3 -0.118 3.835 3.960 -0.013 0.000 0.214 626 G C 0.632 175.558 174.900 0.042 0.000 1.138 626 G CA 0.180 45.307 45.100 0.045 0.000 0.794 626 G HN 0.548 nan 8.290 nan 0.000 0.535 627 N N 1.160 119.887 118.700 0.046 0.000 2.447 627 N HA 0.150 4.882 4.740 -0.013 0.000 0.263 627 N C -1.208 174.328 175.510 0.042 0.000 1.226 627 N CA -1.156 51.920 53.050 0.042 0.000 0.906 627 N CB 1.494 40.009 38.487 0.046 0.000 1.060 627 N HN -0.130 nan 8.380 nan 0.000 0.468 628 P HA -0.140 nan 4.420 nan 0.000 0.218 628 P C 0.974 178.296 177.300 0.036 0.000 1.149 628 P CA 0.742 63.861 63.100 0.033 0.000 0.817 628 P CB 0.253 31.969 31.700 0.027 0.000 0.785 629 V N -0.588 119.350 119.914 0.040 0.000 2.488 629 V HA -0.137 3.975 4.120 -0.013 0.000 0.246 629 V C 2.380 178.508 176.094 0.056 0.000 1.046 629 V CA 1.982 64.311 62.300 0.048 0.000 1.053 629 V CB -1.416 30.439 31.823 0.054 0.000 0.679 629 V HN 0.124 nan 8.190 nan 0.000 0.458 630 S N 0.815 116.552 115.700 0.061 0.000 2.370 630 S HA -0.186 4.276 4.470 -0.013 0.000 0.226 630 S C 2.242 176.881 174.600 0.065 0.000 1.033 630 S CA 1.530 59.772 58.200 0.071 0.000 1.011 630 S CB -0.492 62.753 63.200 0.076 0.000 0.852 630 S HN 0.643 nan 8.310 nan 0.000 0.457 631 A N 0.704 123.558 122.820 0.056 0.000 1.898 631 A HA -0.026 4.286 4.320 -0.013 0.000 0.216 631 A C 2.345 179.947 177.584 0.031 0.000 1.181 631 A CA 1.554 53.621 52.037 0.050 0.000 0.620 631 A CB -0.916 18.111 19.000 0.044 0.000 0.819 631 A HN 0.373 nan 8.150 nan 0.000 0.442 632 V N -0.564 119.366 119.914 0.026 0.000 2.453 632 V HA -0.139 3.973 4.120 -0.013 0.000 0.247 632 V C 2.356 178.446 176.094 -0.007 0.000 1.048 632 V CA 2.150 64.457 62.300 0.012 0.000 1.049 632 V CB -0.289 31.546 31.823 0.020 0.000 0.672 632 V HN 0.293 nan 8.190 nan 0.000 0.457 633 V N 1.325 121.237 119.914 -0.003 0.000 2.255 633 V HA -0.264 3.848 4.120 -0.013 0.000 0.247 633 V C 2.892 178.917 176.094 -0.115 0.000 1.051 633 V CA 2.925 65.195 62.300 -0.051 0.000 1.018 633 V CB -1.181 30.634 31.823 -0.012 0.000 0.641 633 V HN 0.847 nan 8.190 nan 0.000 0.445 634 T N -2.955 111.580 114.554 -0.032 0.000 2.867 634 T HA -0.262 4.081 4.350 -0.013 0.000 0.268 634 T C 1.982 176.685 174.700 0.006 0.000 1.057 634 T CA 1.474 63.599 62.100 0.043 0.000 1.136 634 T CB -1.139 67.873 68.868 0.239 0.000 0.874 634 T HN 0.490 nan 8.240 nan 0.000 0.466 635 C N 2.260 121.536 119.300 -0.041 0.000 2.413 635 C HA -0.089 4.363 4.460 -0.013 0.000 0.276 635 C C 2.650 177.557 174.990 -0.137 0.000 1.236 635 C CA 1.356 60.310 59.018 -0.107 0.000 1.735 635 C CB -1.808 25.891 27.740 -0.068 0.000 2.031 635 C HN 0.678 nan 8.230 nan 0.000 0.474 636 N N 0.169 118.797 118.700 -0.120 0.000 2.244 636 N HA -0.002 4.730 4.740 -0.013 0.000 0.183 636 N C 1.604 176.993 175.510 -0.201 0.000 1.016 636 N CA 1.213 54.188 53.050 -0.126 0.000 0.866 636 N CB -0.177 38.261 38.487 -0.082 0.000 0.980 636 N HN 0.508 nan 8.380 nan 0.000 0.430 637 L N -1.437 119.577 121.223 -0.349 0.000 2.179 637 L HA 0.022 4.354 4.340 -0.013 0.000 0.208 637 L C 0.995 177.566 176.870 -0.499 0.000 1.096 637 L CA 1.057 55.540 54.840 -0.595 0.000 0.779 637 L CB -0.063 41.343 42.059 -1.088 0.000 0.922 637 L HN 0.199 nan 8.230 nan 0.000 0.443 638 F N -3.026 116.901 119.950 -0.038 0.000 2.581 638 F HA 0.070 4.589 4.527 -0.013 0.000 0.278 638 F C 2.020 177.676 175.800 -0.239 0.000 1.000 638 F CA -0.080 57.904 58.000 -0.027 0.000 1.230 638 F CB 0.090 39.132 39.000 0.070 0.000 1.008 638 F HN -0.354 nan 8.300 nan 0.000 0.695 639 V N -0.057 119.661 119.914 -0.326 0.000 2.255 639 V HA -0.190 3.922 4.120 -0.013 0.000 0.243 639 V C 2.202 178.137 176.094 -0.264 0.000 1.038 639 V CA 1.508 63.445 62.300 -0.606 0.000 1.008 639 V CB -0.582 30.844 31.823 -0.661 0.000 0.645 639 V HN 0.119 nan 8.190 nan 0.000 0.449 640 V N 0.569 120.351 119.914 -0.220 0.000 2.282 640 V HA -0.189 3.923 4.120 -0.013 0.000 0.249 640 V C 0.127 176.129 176.094 -0.154 0.000 1.057 640 V CA 2.719 64.877 62.300 -0.236 0.000 1.032 640 V CB -1.928 29.694 31.823 -0.335 0.000 0.645 640 V HN 0.497 nan 8.190 nan 0.000 0.447 641 P HA -0.165 nan 4.420 nan 0.000 0.216 641 P C 1.654 178.907 177.300 -0.079 0.000 1.150 641 P CA 2.047 65.128 63.100 -0.032 0.000 0.837 641 P CB -0.149 31.591 31.700 0.065 0.000 0.786 642 A N -0.702 122.079 122.820 -0.065 0.000 1.898 642 A HA -0.140 4.172 4.320 -0.013 0.000 0.216 642 A C 2.177 179.718 177.584 -0.072 0.000 1.181 642 A CA 1.336 53.357 52.037 -0.028 0.000 0.620 642 A CB -1.588 17.503 19.000 0.152 0.000 0.819 642 A HN 0.111 nan 8.150 nan 0.000 0.442 643 L N -1.101 120.036 121.223 -0.143 0.000 2.093 643 L HA -0.169 4.163 4.340 -0.013 0.000 0.208 643 L C 2.819 179.507 176.870 -0.303 0.000 1.085 643 L CA 1.307 55.951 54.840 -0.327 0.000 0.755 643 L CB -0.551 41.189 42.059 -0.531 0.000 0.904 643 L HN 0.344 nan 8.230 nan 0.000 0.435 644 R N 0.476 120.888 120.500 -0.148 0.000 2.081 644 R HA -0.212 4.120 4.340 -0.013 0.000 0.235 644 R C 2.344 178.600 176.300 -0.073 0.000 1.131 644 R CA 1.664 57.727 56.100 -0.062 0.000 0.960 644 R CB -0.283 30.001 30.300 -0.027 0.000 0.856 644 R HN 0.286 nan 8.270 nan 0.000 0.436 645 K N 0.800 121.154 120.400 -0.076 0.000 2.057 645 K HA -0.095 4.217 4.320 -0.013 0.000 0.206 645 K C 2.111 178.680 176.600 -0.051 0.000 1.050 645 K CA 1.256 57.507 56.287 -0.060 0.000 0.935 645 K CB 0.011 32.471 32.500 -0.066 0.000 0.715 645 K HN 0.054 nan 8.250 nan 0.000 0.439 646 M N 1.059 120.616 119.600 -0.071 0.000 2.080 646 M HA -0.228 4.245 4.480 -0.013 0.000 0.260 646 M C 2.021 178.309 176.300 -0.021 0.000 1.068 646 M CA 2.000 57.266 55.300 -0.057 0.000 1.109 646 M CB -0.226 32.318 32.600 -0.094 0.000 1.342 646 M HN 0.307 nan 8.290 nan 0.000 0.405 647 Q N -0.253 119.537 119.800 -0.018 0.000 2.373 647 Q HA 0.188 4.520 4.340 -0.013 0.000 0.206 647 Q C 0.893 176.948 176.000 0.092 0.000 0.942 647 Q CA 0.739 56.614 55.803 0.120 0.000 0.953 647 Q CB -0.034 28.868 28.738 0.272 0.000 1.022 647 Q HN 0.547 nan 8.270 nan 0.000 0.502 648 G N 0.630 109.444 108.800 0.024 0.000 2.176 648 G HA2 -0.258 3.694 3.960 -0.013 0.000 0.232 648 G HA3 -0.258 3.694 3.960 -0.013 0.000 0.232 648 G C 0.048 174.937 174.900 -0.019 0.000 0.986 648 G CA -0.085 45.022 45.100 0.011 0.000 0.643 648 G HN 0.412 nan 8.290 nan 0.000 0.522 649 I N 1.571 122.103 120.570 -0.064 0.000 2.668 649 I HA 0.073 4.235 4.170 -0.013 0.000 0.285 649 I C 2.153 178.243 176.117 -0.045 0.000 1.168 649 I CA -0.243 60.992 61.300 -0.109 0.000 1.424 649 I CB 0.648 38.534 38.000 -0.190 0.000 1.377 649 I HN 0.081 nan 8.210 nan 0.000 0.560 650 L N 4.168 125.380 121.223 -0.019 0.000 2.046 650 L HA -0.108 4.225 4.340 -0.013 0.000 0.208 650 L C 0.862 177.736 176.870 0.005 0.000 1.077 650 L CA 1.249 56.089 54.840 -0.000 0.000 0.747 650 L CB -0.271 41.796 42.059 0.013 0.000 0.896 650 L HN 0.655 nan 8.230 nan 0.000 0.432 651 D N -0.114 120.294 120.400 0.013 0.000 2.462 651 D HA 0.160 4.793 4.640 -0.013 0.000 0.249 651 D C -1.737 174.581 176.300 0.029 0.000 1.117 651 D CA -2.127 51.889 54.000 0.027 0.000 0.900 651 D CB 1.153 41.977 40.800 0.040 0.000 1.039 651 D HN -0.029 nan 8.370 nan 0.000 0.516 652 P HA 0.044 nan 4.420 nan 0.000 0.245 652 P C 0.143 177.488 177.300 0.075 0.000 1.212 652 P CA -0.048 63.062 63.100 0.017 0.000 0.774 652 P CB 0.356 32.041 31.700 -0.024 0.000 0.999 653 R N 1.747 122.320 120.500 0.122 0.000 2.694 653 R HA 0.243 4.575 4.340 -0.013 0.000 0.268 653 R C -1.795 174.572 176.300 0.112 0.000 1.061 653 R CA -1.318 54.903 56.100 0.201 0.000 1.133 653 R CB -0.583 29.832 30.300 0.191 0.000 1.020 653 R HN 0.177 nan 8.270 nan 0.000 0.475 654 P HA 0.054 nan 4.420 nan 0.000 0.277 654 P C -0.680 176.633 177.300 0.021 0.000 1.240 654 P CA -0.330 62.793 63.100 0.038 0.000 0.798 654 P CB 0.750 32.444 31.700 -0.009 0.000 0.979 655 T N 2.532 117.107 114.554 0.034 0.000 2.851 655 T HA 0.353 4.695 4.350 -0.013 0.000 0.298 655 T C 0.423 175.134 174.700 0.018 0.000 0.977 655 T CA 0.227 62.347 62.100 0.032 0.000 1.126 655 T CB -0.332 68.565 68.868 0.049 0.000 0.916 655 T HN 0.210 nan 8.240 nan 0.000 0.529 656 I N 5.108 125.683 120.570 0.007 0.000 2.436 656 I HA 0.536 4.698 4.170 -0.013 0.000 0.289 656 I C 0.123 176.246 176.117 0.009 0.000 1.010 656 I CA -0.930 60.368 61.300 -0.004 0.000 1.098 656 I CB 1.415 39.397 38.000 -0.030 0.000 1.266 656 I HN 0.587 nan 8.210 nan 0.000 0.434 657 I N 2.421 123.000 120.570 0.015 0.000 3.067 657 I HA 0.633 4.795 4.170 -0.013 0.000 0.312 657 I C -0.845 175.263 176.117 -0.015 0.000 1.073 657 I CA -1.033 60.280 61.300 0.023 0.000 1.016 657 I CB 1.809 39.855 38.000 0.078 0.000 1.227 657 I HN 0.255 nan 8.210 nan 0.000 0.456 658 K N 2.473 122.859 120.400 -0.024 0.000 2.156 658 K HA 0.815 5.127 4.320 -0.013 0.000 0.271 658 K C -0.671 175.859 176.600 -0.118 0.000 0.995 658 K CA -0.443 55.804 56.287 -0.066 0.000 0.890 658 K CB 1.666 34.130 32.500 -0.061 0.000 1.073 658 K HN 0.895 nan 8.250 nan 0.000 0.454 659 A N 2.902 125.626 122.820 -0.160 0.000 2.593 659 A HA 0.684 4.996 4.320 -0.013 0.000 0.290 659 A C -1.035 176.378 177.584 -0.286 0.000 1.126 659 A CA -0.845 51.042 52.037 -0.250 0.000 0.695 659 A CB 1.359 20.229 19.000 -0.218 0.000 1.290 659 A HN 0.619 nan 8.150 nan 0.000 0.414 660 R N 0.291 120.523 120.500 -0.446 0.000 2.460 660 R HA 0.514 4.846 4.340 -0.013 0.000 0.303 660 R C -0.973 175.220 176.300 -0.178 0.000 0.968 660 R CA -0.645 55.153 56.100 -0.504 0.000 0.889 660 R CB 1.352 30.907 30.300 -1.243 0.000 1.123 660 R HN 0.625 nan 8.270 nan 0.000 0.455 661 L N 1.900 123.106 121.223 -0.028 0.000 2.455 661 L HA -0.016 4.317 4.340 -0.013 0.000 0.272 661 L C 1.122 178.182 176.870 0.318 0.000 1.174 661 L CA 0.334 55.246 54.840 0.119 0.000 0.869 661 L CB 1.136 43.249 42.059 0.091 0.000 1.130 661 L HN 0.791 nan 8.230 nan 0.000 0.474 662 S N 0.872 116.752 115.700 0.302 0.000 2.461 662 S HA 0.006 4.468 4.470 -0.013 0.000 0.228 662 S C 0.347 175.021 174.600 0.124 0.000 1.005 662 S CA 0.045 58.395 58.200 0.251 0.000 0.942 662 S CB -0.011 63.269 63.200 0.133 0.000 0.776 662 S HN 0.664 nan 8.310 nan 0.000 0.514 663 C N 0.806 120.168 119.300 0.104 0.000 3.108 663 C HA 0.549 5.002 4.460 -0.013 0.000 0.321 663 C C -0.675 174.341 174.990 0.044 0.000 1.357 663 C CA -1.325 57.724 59.018 0.052 0.000 1.562 663 C CB 1.365 29.119 27.740 0.023 0.000 2.003 663 C HN 0.263 nan 8.230 nan 0.000 0.460 664 D N 0.729 121.129 120.400 -0.001 0.000 2.264 664 D HA 0.532 5.165 4.640 -0.013 0.000 0.249 664 D C -0.387 175.893 176.300 -0.034 0.000 1.070 664 D CA 0.197 54.166 54.000 -0.052 0.000 0.912 664 D CB 1.050 41.777 40.800 -0.122 0.000 1.193 664 D HN 0.533 nan 8.370 nan 0.000 0.427 665 V N -1.260 118.634 119.914 -0.035 0.000 2.888 665 V HA 0.566 4.678 4.120 -0.013 0.000 0.309 665 V C -1.085 175.000 176.094 -0.015 0.000 1.114 665 V CA -1.128 61.171 62.300 -0.000 0.000 0.940 665 V CB 2.204 34.056 31.823 0.049 0.000 1.021 665 V HN 0.200 nan 8.190 nan 0.000 0.426 666 K N 3.948 124.346 120.400 -0.004 0.000 2.264 666 K HA 0.546 4.858 4.320 -0.013 0.000 0.277 666 K C -0.669 175.934 176.600 0.004 0.000 1.067 666 K CA -0.685 55.597 56.287 -0.008 0.000 0.900 666 K CB 1.222 33.715 32.500 -0.011 0.000 1.124 666 K HN 0.613 nan 8.250 nan 0.000 0.469 667 L N 1.981 123.207 121.223 0.005 0.000 2.483 667 L HA 0.026 4.358 4.340 -0.013 0.000 0.276 667 L C 0.635 177.498 176.870 -0.012 0.000 1.213 667 L CA 0.506 55.343 54.840 -0.006 0.000 0.843 667 L CB -0.100 41.967 42.059 0.013 0.000 1.107 667 L HN 0.579 nan 8.230 nan 0.000 0.487 668 D N 2.508 122.885 120.400 -0.038 0.000 2.217 668 D HA 0.373 5.006 4.640 -0.013 0.000 0.248 668 D C -1.745 174.532 176.300 -0.039 0.000 1.008 668 D CA -1.569 52.407 54.000 -0.041 0.000 0.914 668 D CB 1.749 42.506 40.800 -0.071 0.000 1.182 668 D HN 0.254 nan 8.370 nan 0.000 0.451 669 P HA -0.127 nan 4.420 nan 0.000 0.217 669 P C -0.286 177.017 177.300 0.004 0.000 1.148 669 P CA 1.166 64.286 63.100 0.033 0.000 0.834 669 P CB 0.180 31.927 31.700 0.079 0.000 0.783 670 R N -0.215 120.180 120.500 -0.175 0.000 2.536 670 R HA 0.346 4.678 4.340 -0.013 0.000 0.279 670 R C -2.337 173.821 176.300 -0.236 0.000 1.001 670 R CA -2.437 53.440 56.100 -0.371 0.000 1.027 670 R CB -0.240 29.661 30.300 -0.665 0.000 1.096 670 R HN -0.008 nan 8.270 nan 0.000 0.502 671 P HA -0.019 nan 4.420 nan 0.000 0.267 671 P C -0.950 176.105 177.300 -0.408 0.000 1.205 671 P CA 0.372 63.308 63.100 -0.273 0.000 0.765 671 P CB 0.701 32.306 31.700 -0.160 0.000 0.828 672 E N 2.427 122.266 120.200 -0.601 0.000 2.288 672 E HA 0.434 4.776 4.350 -0.013 0.000 0.268 672 E C -1.423 174.633 176.600 -0.906 0.000 0.885 672 E CA -0.766 55.288 56.400 -0.576 0.000 0.767 672 E CB 1.149 30.603 29.700 -0.410 0.000 1.220 672 E HN 0.325 nan 8.360 nan 0.000 0.427 673 Y N 1.404 121.532 120.300 -0.286 0.000 2.361 673 Y HA 0.365 4.907 4.550 -0.013 0.000 0.337 673 Y C -0.671 175.138 175.900 -0.151 0.000 0.965 673 Y CA -0.749 57.216 58.100 -0.225 0.000 1.091 673 Y CB 1.713 40.097 38.460 -0.128 0.000 1.182 673 Y HN 0.477 nan 8.280 nan 0.000 0.450 674 H N 1.704 120.824 119.070 0.084 0.000 2.529 674 H HA 0.485 5.033 4.556 -0.013 0.000 0.348 674 H C -0.543 174.814 175.328 0.048 0.000 1.079 674 H CA -1.354 54.723 56.048 0.049 0.000 1.198 674 H CB 1.470 31.241 29.762 0.015 0.000 1.521 674 H HN 0.507 nan 8.280 nan 0.000 0.514 675 R N 1.721 122.322 120.500 0.168 0.000 2.538 675 R HA 0.144 4.477 4.340 -0.013 0.000 0.282 675 R C -0.451 175.899 176.300 0.084 0.000 1.009 675 R CA 0.322 56.480 56.100 0.096 0.000 1.063 675 R CB 0.002 30.341 30.300 0.064 0.000 0.945 675 R HN 0.669 nan 8.270 nan 0.000 0.414 676 C N 1.098 120.438 119.300 0.066 0.000 3.323 676 C HA 0.709 5.162 4.460 -0.013 0.000 0.324 676 C C -0.660 174.356 174.990 0.042 0.000 1.428 676 C CA -1.181 57.869 59.018 0.054 0.000 1.368 676 C CB 0.832 28.608 27.740 0.060 0.000 1.731 676 C HN 0.742 nan 8.230 nan 0.000 0.455 677 I N 1.665 122.259 120.570 0.039 0.000 2.406 677 I HA 0.454 4.616 4.170 -0.013 0.000 0.290 677 I C -0.620 175.511 176.117 0.023 0.000 0.999 677 I CA -0.452 60.871 61.300 0.038 0.000 1.124 677 I CB 1.549 39.572 38.000 0.039 0.000 1.289 677 I HN 0.537 nan 8.210 nan 0.000 0.441 678 L N 6.262 127.489 121.223 0.007 0.000 2.275 678 L HA 0.505 4.838 4.340 -0.013 0.000 0.288 678 L C -0.114 176.707 176.870 -0.081 0.000 1.046 678 L CA -0.261 54.515 54.840 -0.106 0.000 0.805 678 L CB 1.415 43.378 42.059 -0.160 0.000 1.193 678 L HN 0.622 nan 8.230 nan 0.000 0.426 679 T N -1.341 113.126 114.554 -0.145 0.000 2.848 679 T HA 0.401 4.744 4.350 -0.013 0.000 0.285 679 T C -0.889 173.709 174.700 -0.170 0.000 0.995 679 T CA -0.704 61.355 62.100 -0.069 0.000 0.970 679 T CB 1.102 69.929 68.868 -0.069 0.000 0.976 679 T HN 0.329 nan 8.240 nan 0.000 0.441 680 W N 3.484 124.737 121.300 -0.077 0.000 2.335 680 W HA 0.316 4.968 4.660 -0.013 0.000 0.307 680 W C 0.301 176.748 176.519 -0.119 0.000 1.117 680 W CA -0.493 56.848 57.345 -0.006 0.000 1.228 680 W CB 0.840 30.306 29.460 0.010 0.000 1.240 680 W HN 0.681 nan 8.180 nan 0.000 0.468 681 H N 0.878 120.144 119.070 0.326 0.000 2.525 681 H HA 0.111 4.659 4.556 -0.013 0.000 0.340 681 H C 0.261 175.747 175.328 0.264 0.000 1.168 681 H CA -0.605 55.598 56.048 0.258 0.000 1.247 681 H CB 1.461 31.350 29.762 0.211 0.000 1.568 681 H HN 0.323 nan 8.280 nan 0.000 0.536 682 H N 1.814 121.030 119.070 0.245 0.000 3.187 682 H HA -0.145 4.404 4.556 -0.013 0.000 0.286 682 H C 0.258 175.681 175.328 0.158 0.000 0.944 682 H CA 0.709 56.854 56.048 0.162 0.000 1.429 682 H CB 0.292 30.123 29.762 0.116 0.000 1.483 682 H HN 0.655 nan 8.280 nan 0.000 0.555 683 Q N 1.801 121.481 119.800 -0.200 0.000 2.460 683 Q HA -0.207 4.125 4.340 -0.013 0.000 0.248 683 Q C -0.989 175.015 176.000 0.007 0.000 0.847 683 Q CA 1.498 57.192 55.803 -0.181 0.000 1.214 683 Q CB -0.863 27.692 28.738 -0.304 0.000 1.523 683 Q HN 0.810 nan 8.270 nan 0.000 0.602 684 E N -0.120 120.146 120.200 0.111 0.000 2.231 684 E HA 0.226 4.568 4.350 -0.013 0.000 0.277 684 E C -1.306 175.369 176.600 0.125 0.000 0.999 684 E CA -1.246 55.234 56.400 0.133 0.000 0.827 684 E CB 0.897 30.728 29.700 0.218 0.000 1.101 684 E HN 0.111 nan 8.360 nan 0.000 0.393 685 P HA -0.080 nan 4.420 nan 0.000 0.214 685 P C 0.244 177.586 177.300 0.069 0.000 1.162 685 P CA 1.069 64.207 63.100 0.063 0.000 0.874 685 P CB 0.395 32.104 31.700 0.014 0.000 0.784 686 L N 1.294 122.485 121.223 -0.052 0.000 2.325 686 L HA 0.409 4.741 4.340 -0.013 0.000 0.279 686 L C -2.158 174.504 176.870 -0.346 0.000 1.054 686 L CA -2.503 52.233 54.840 -0.174 0.000 0.804 686 L CB 1.149 43.045 42.059 -0.272 0.000 1.200 686 L HN -0.083 nan 8.230 nan 0.000 0.436 687 P HA 0.048 nan 4.420 nan 0.000 0.274 687 P C -1.459 175.545 177.300 -0.494 0.000 1.246 687 P CA -0.414 62.178 63.100 -0.846 0.000 0.795 687 P CB 0.519 31.223 31.700 -1.660 0.000 1.006 688 W N 0.054 121.208 121.300 -0.244 0.000 2.433 688 W HA 0.554 5.206 4.660 -0.013 0.000 0.315 688 W C -0.020 176.421 176.519 -0.131 0.000 1.087 688 W CA -0.387 56.891 57.345 -0.111 0.000 1.205 688 W CB 1.121 30.586 29.460 0.009 0.000 1.288 688 W HN 0.313 nan 8.180 nan 0.000 0.504 689 A N 3.500 126.384 122.820 0.108 0.000 2.341 689 A HA 0.318 4.630 4.320 -0.013 0.000 0.326 689 A C -0.472 177.177 177.584 0.107 0.000 1.402 689 A CA -0.596 51.474 52.037 0.054 0.000 0.957 689 A CB 0.348 19.349 19.000 0.002 0.000 1.151 689 A HN 0.641 nan 8.150 nan 0.000 0.533 690 Q N 2.734 122.589 119.800 0.093 0.000 2.406 690 Q HA 0.290 4.622 4.340 -0.013 0.000 0.242 690 Q C 0.003 176.034 176.000 0.051 0.000 1.036 690 Q CA -0.168 55.679 55.803 0.074 0.000 0.904 690 Q CB 0.601 29.375 28.738 0.059 0.000 1.244 690 Q HN 0.738 nan 8.270 nan 0.000 0.478 691 S N 2.625 118.356 115.700 0.051 0.000 2.537 691 S HA 0.018 4.480 4.470 -0.013 0.000 0.286 691 S C 0.670 175.269 174.600 -0.002 0.000 1.299 691 S CA 0.567 58.791 58.200 0.041 0.000 1.067 691 S CB 1.001 64.233 63.200 0.053 0.000 0.864 691 S HN 0.775 nan 8.310 nan 0.000 0.494 692 T N 2.676 117.229 114.554 -0.001 0.000 2.969 692 T HA 0.278 4.621 4.350 -0.013 0.000 0.258 692 T C 1.236 175.916 174.700 -0.034 0.000 0.962 692 T CA 0.531 62.619 62.100 -0.019 0.000 0.903 692 T CB -0.470 68.398 68.868 0.001 0.000 1.177 692 T HN 0.728 nan 8.240 nan 0.000 0.511 693 G N 2.524 111.316 108.800 -0.012 0.000 3.356 693 G HA2 0.082 4.035 3.960 -0.013 0.000 0.239 693 G HA3 0.082 4.035 3.960 -0.013 0.000 0.239 693 G C 0.459 175.333 174.900 -0.045 0.000 1.252 693 G CA -0.320 44.787 45.100 0.012 0.000 1.611 693 G HN 0.551 nan 8.290 nan 0.000 0.580 694 N N 0.148 118.778 118.700 -0.118 0.000 2.235 694 N HA 0.053 4.785 4.740 -0.013 0.000 0.231 694 N C 0.436 175.911 175.510 -0.058 0.000 1.177 694 N CA -0.262 52.708 53.050 -0.134 0.000 0.874 694 N CB 0.527 38.876 38.487 -0.230 0.000 1.097 694 N HN 0.250 nan 8.380 nan 0.000 0.518 695 Q N 0.460 120.241 119.800 -0.031 0.000 2.616 695 Q HA -0.063 4.270 4.340 -0.013 0.000 0.269 695 Q C 1.191 177.185 176.000 -0.009 0.000 1.148 695 Q CA 0.720 56.513 55.803 -0.016 0.000 1.003 695 Q CB 0.529 29.266 28.738 -0.002 0.000 1.322 695 Q HN 0.147 nan 8.270 nan 0.000 0.518 696 M N -1.295 118.301 119.600 -0.007 0.000 7.319 696 M HA -0.262 4.210 4.480 -0.013 0.000 0.546 696 M C 1.204 177.500 176.300 -0.007 0.000 0.480 696 M CA 1.722 57.020 55.300 -0.003 0.000 1.311 696 M CB -2.236 30.364 32.600 0.001 0.000 0.421 696 M HN 0.722 nan 8.290 nan 0.000 0.276 697 S N 0.980 116.675 115.700 -0.009 0.000 2.562 697 S HA 0.190 4.652 4.470 -0.013 0.000 0.221 697 S C 0.650 175.241 174.600 -0.014 0.000 0.975 697 S CA 0.854 59.048 58.200 -0.010 0.000 0.918 697 S CB -0.372 62.823 63.200 -0.008 0.000 0.772 697 S HN 0.856 nan 8.310 nan 0.000 0.531 698 S N 1.141 116.829 115.700 -0.020 0.000 2.383 698 S HA 0.540 5.002 4.470 -0.013 0.000 0.196 698 S C -0.793 173.791 174.600 -0.027 0.000 1.364 698 S CA -1.010 57.176 58.200 -0.025 0.000 1.212 698 S CB 0.484 63.665 63.200 -0.032 0.000 1.171 698 S HN 0.406 nan 8.310 nan 0.000 0.456 699 R N 1.841 122.329 120.500 -0.019 0.000 2.371 699 R HA 0.456 4.788 4.340 -0.013 0.000 0.312 699 R C -1.512 174.780 176.300 -0.014 0.000 0.980 699 R CA -0.847 55.243 56.100 -0.017 0.000 0.867 699 R CB 1.340 31.634 30.300 -0.011 0.000 1.163 699 R HN 0.428 nan 8.270 nan 0.000 0.492 700 L N 4.689 125.903 121.223 -0.015 0.000 2.314 700 L HA 0.327 4.659 4.340 -0.013 0.000 0.275 700 L C -0.164 176.701 176.870 -0.008 0.000 1.068 700 L CA -0.317 54.516 54.840 -0.012 0.000 0.894 700 L CB 0.686 42.737 42.059 -0.015 0.000 1.275 700 L HN 0.635 nan 8.230 nan 0.000 0.432 701 M N 2.102 121.699 119.600 -0.006 0.000 2.243 701 M HA -0.057 4.415 4.480 -0.013 0.000 0.365 701 M C 0.726 177.026 176.300 0.000 0.000 1.327 701 M CA 1.068 56.367 55.300 -0.002 0.000 0.918 701 M CB 0.055 32.654 32.600 -0.002 0.000 1.894 701 M HN 0.649 nan 8.290 nan 0.000 0.473 702 S N 2.414 118.116 115.700 0.003 0.000 2.621 702 S HA 0.500 4.962 4.470 -0.013 0.000 0.302 702 S C 0.927 175.531 174.600 0.007 0.000 1.093 702 S CA -0.983 57.221 58.200 0.007 0.000 1.017 702 S CB 1.068 64.274 63.200 0.011 0.000 1.077 702 S HN 0.747 nan 8.310 nan 0.000 0.517 703 M N 1.799 121.404 119.600 0.008 0.000 2.492 703 M HA 0.164 4.637 4.480 -0.013 0.000 0.262 703 M C 0.668 176.974 176.300 0.009 0.000 1.090 703 M CA 0.901 56.205 55.300 0.007 0.000 1.110 703 M CB -0.953 31.651 32.600 0.006 0.000 1.407 703 M HN 0.501 nan 8.290 nan 0.000 0.470 704 R N -0.057 120.452 120.500 0.014 0.000 2.500 704 R HA 0.375 4.707 4.340 -0.013 0.000 0.277 704 R C 0.199 176.510 176.300 0.018 0.000 1.026 704 R CA -0.246 55.865 56.100 0.018 0.000 1.058 704 R CB 1.106 31.422 30.300 0.027 0.000 1.078 704 R HN -0.001 nan 8.270 nan 0.000 0.509 705 S N 0.821 116.532 115.700 0.018 0.000 2.632 705 S HA 0.357 4.819 4.470 -0.013 0.000 0.267 705 S C -0.148 174.467 174.600 0.025 0.000 1.276 705 S CA -0.798 57.412 58.200 0.018 0.000 0.998 705 S CB 1.406 64.613 63.200 0.012 0.000 0.953 705 S HN 0.695 nan 8.310 nan 0.000 0.547 706 A N 1.487 124.322 122.820 0.026 0.000 2.488 706 A HA 0.260 4.573 4.320 -0.013 0.000 0.249 706 A C 0.813 178.418 177.584 0.036 0.000 1.083 706 A CA -0.439 51.617 52.037 0.033 0.000 0.768 706 A CB -0.518 18.502 19.000 0.034 0.000 1.017 706 A HN 0.984 nan 8.150 nan 0.000 0.496 707 N N 1.865 120.593 118.700 0.046 0.000 2.170 707 N HA 0.375 5.107 4.740 -0.013 0.000 0.222 707 N C 0.338 175.882 175.510 0.057 0.000 1.218 707 N CA 0.075 53.157 53.050 0.053 0.000 0.889 707 N CB 0.870 39.401 38.487 0.073 0.000 1.083 707 N HN 0.709 nan 8.380 nan 0.000 0.520 708 G N 0.451 109.280 108.800 0.048 0.000 2.684 708 G HA2 0.548 4.501 3.960 -0.013 0.000 0.290 708 G HA3 0.548 4.501 3.960 -0.013 0.000 0.290 708 G C -1.908 173.018 174.900 0.044 0.000 1.425 708 G CA -0.730 44.396 45.100 0.043 0.000 0.822 708 G HN 0.064 nan 8.290 nan 0.000 0.482 709 L N 1.023 122.271 121.223 0.042 0.000 2.319 709 L HA 0.390 4.722 4.340 -0.013 0.000 0.281 709 L C -0.434 176.477 176.870 0.069 0.000 1.005 709 L CA -0.865 54.015 54.840 0.067 0.000 0.828 709 L CB 1.764 43.859 42.059 0.060 0.000 1.227 709 L HN 0.438 nan 8.230 nan 0.000 0.415 710 L N 4.993 126.255 121.223 0.064 0.000 2.477 710 L HA 0.182 4.514 4.340 -0.013 0.000 0.272 710 L C -0.152 176.689 176.870 -0.048 0.000 1.157 710 L CA 0.837 55.686 54.840 0.015 0.000 0.889 710 L CB 0.423 42.507 42.059 0.042 0.000 1.158 710 L HN 0.545 nan 8.230 nan 0.000 0.473 711 M N 7.173 126.727 119.600 -0.077 0.000 2.208 711 M HA 0.328 4.800 4.480 -0.013 0.000 0.352 711 M C -0.802 175.339 176.300 -0.265 0.000 1.137 711 M CA -0.149 55.036 55.300 -0.192 0.000 1.091 711 M CB 0.452 33.024 32.600 -0.047 0.000 1.309 711 M HN 0.431 nan 8.290 nan 0.000 0.408 712 L N 5.564 126.559 121.223 -0.380 0.000 2.367 712 L HA 0.404 4.736 4.340 -0.013 0.000 0.275 712 L C -1.795 174.904 176.870 -0.286 0.000 1.129 712 L CA -1.838 52.831 54.840 -0.287 0.000 0.839 712 L CB 0.353 42.234 42.059 -0.297 0.000 1.133 712 L HN 0.299 nan 8.230 nan 0.000 0.453 713 P HA 0.218 nan 4.420 nan 0.000 0.274 713 P C -2.629 174.599 177.300 -0.121 0.000 1.231 713 P CA -1.691 61.321 63.100 -0.147 0.000 0.790 713 P CB 0.009 31.639 31.700 -0.117 0.000 0.951 714 P HA 0.065 nan 4.420 nan 0.000 0.268 714 P C 0.177 177.467 177.300 -0.016 0.000 1.205 714 P CA 0.085 63.157 63.100 -0.046 0.000 0.771 714 P CB 0.278 31.986 31.700 0.014 0.000 0.858 715 K N 2.009 122.410 120.400 0.003 0.000 2.527 715 K HA 0.114 4.426 4.320 -0.013 0.000 0.278 715 K C 0.305 176.933 176.600 0.047 0.000 0.981 715 K CA 0.402 56.709 56.287 0.033 0.000 1.009 715 K CB 0.130 32.649 32.500 0.031 0.000 0.895 715 K HN 0.627 nan 8.250 nan 0.000 0.493 716 T N -0.203 114.394 114.554 0.073 0.000 2.807 716 T HA 0.172 4.514 4.350 -0.013 0.000 0.277 716 T C 0.865 175.616 174.700 0.084 0.000 1.006 716 T CA -0.700 61.442 62.100 0.071 0.000 1.006 716 T CB 1.310 70.216 68.868 0.064 0.000 1.274 716 T HN 0.615 nan 8.240 nan 0.000 0.569 717 E N 0.004 120.248 120.200 0.073 0.000 2.152 717 E HA -0.073 4.269 4.350 -0.013 0.000 0.192 717 E C 2.148 178.794 176.600 0.076 0.000 0.983 717 E CA 1.696 58.134 56.400 0.062 0.000 0.818 717 E CB -0.155 29.572 29.700 0.046 0.000 0.758 717 E HN 0.781 nan 8.360 nan 0.000 0.467 718 Q N -1.823 118.052 119.800 0.125 0.000 2.349 718 Q HA 0.015 4.347 4.340 -0.013 0.000 0.209 718 Q C -0.131 175.942 176.000 0.122 0.000 0.920 718 Q CA 0.413 56.292 55.803 0.127 0.000 0.901 718 Q CB -0.053 28.791 28.738 0.176 0.000 1.021 718 Q HN 0.137 nan 8.270 nan 0.000 0.519 719 Y N 1.245 121.552 120.300 0.012 0.000 2.717 719 Y HA 0.283 4.825 4.550 -0.013 0.000 0.329 719 Y C 0.602 176.510 175.900 0.015 0.000 1.017 719 Y CA -0.905 57.206 58.100 0.018 0.000 1.275 719 Y CB 1.550 40.016 38.460 0.009 0.000 1.109 719 Y HN -0.104 nan 8.280 nan 0.000 0.511 720 V N 1.427 121.391 119.914 0.084 0.000 2.825 720 V HA -0.006 4.106 4.120 -0.013 0.000 0.246 720 V C 0.533 176.650 176.094 0.038 0.000 1.068 720 V CA 1.019 63.350 62.300 0.053 0.000 1.088 720 V CB 0.067 31.904 31.823 0.022 0.000 0.733 720 V HN 0.707 nan 8.190 nan 0.000 0.468 721 E N -0.505 119.713 120.200 0.029 0.000 2.408 721 E HA 0.547 4.889 4.350 -0.013 0.000 0.275 721 E C -1.886 174.742 176.600 0.047 0.000 0.935 721 E CA -0.856 55.543 56.400 -0.001 0.000 0.775 721 E CB 2.044 31.691 29.700 -0.087 0.000 1.277 721 E HN -0.023 nan 8.360 nan 0.000 0.455 722 L N 2.121 123.365 121.223 0.036 0.000 2.325 722 L HA 0.408 4.740 4.340 -0.013 0.000 0.278 722 L C -0.213 176.674 176.870 0.029 0.000 1.023 722 L CA -0.525 54.388 54.840 0.122 0.000 0.811 722 L CB 1.389 43.513 42.059 0.110 0.000 1.249 722 L HN 0.590 nan 8.230 nan 0.000 0.431 723 H N 1.258 120.340 119.070 0.020 0.000 2.502 723 H HA 0.252 4.800 4.556 -0.013 0.000 0.338 723 H C -0.374 174.983 175.328 0.049 0.000 1.155 723 H CA -1.003 55.059 56.048 0.023 0.000 1.237 723 H CB 1.749 31.515 29.762 0.007 0.000 1.534 723 H HN 0.418 nan 8.280 nan 0.000 0.523 724 K N 0.610 121.114 120.400 0.173 0.000 2.511 724 K HA -0.010 4.302 4.320 -0.013 0.000 0.280 724 K C 0.810 177.547 176.600 0.229 0.000 1.008 724 K CA 1.134 57.536 56.287 0.191 0.000 1.050 724 K CB -0.046 32.545 32.500 0.152 0.000 0.889 724 K HN 0.969 nan 8.250 nan 0.000 0.484 725 G N 2.781 111.739 108.800 0.263 0.000 2.213 725 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.236 725 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.236 725 G C -0.349 174.512 174.900 -0.066 0.000 0.991 725 G CA 0.039 45.202 45.100 0.104 0.000 0.629 725 G HN 0.688 nan 8.290 nan 0.000 0.517 726 E N 0.609 120.812 120.200 0.005 0.000 2.360 726 E HA 0.391 4.734 4.350 -0.013 0.000 0.269 726 E C 0.358 176.914 176.600 -0.075 0.000 1.022 726 E CA -0.362 56.029 56.400 -0.015 0.000 0.887 726 E CB 1.936 31.672 29.700 0.060 0.000 0.990 726 E HN 0.134 nan 8.360 nan 0.000 0.426 727 V N 4.240 124.100 119.914 -0.089 0.000 2.479 727 V HA 0.082 4.194 4.120 -0.013 0.000 0.281 727 V C 0.493 176.541 176.094 -0.077 0.000 1.031 727 V CA -0.032 62.199 62.300 -0.115 0.000 1.038 727 V CB 0.414 32.173 31.823 -0.108 0.000 0.981 727 V HN 0.459 nan 8.190 nan 0.000 0.478 728 V N 1.820 121.681 119.914 -0.088 0.000 3.141 728 V HA 0.731 4.843 4.120 -0.013 0.000 0.312 728 V C -0.769 175.280 176.094 -0.075 0.000 1.157 728 V CA -1.109 61.148 62.300 -0.070 0.000 1.041 728 V CB 2.409 34.199 31.823 -0.054 0.000 1.071 728 V HN 0.604 nan 8.190 nan 0.000 0.441 729 D N 0.729 121.088 120.400 -0.068 0.000 2.225 729 D HA 0.694 5.326 4.640 -0.013 0.000 0.249 729 D C -0.735 175.537 176.300 -0.046 0.000 1.052 729 D CA 0.036 54.002 54.000 -0.057 0.000 0.909 729 D CB 1.969 42.734 40.800 -0.057 0.000 1.186 729 D HN 0.555 nan 8.370 nan 0.000 0.431 730 V N 2.384 122.279 119.914 -0.032 0.000 2.668 730 V HA 0.208 4.320 4.120 -0.013 0.000 0.304 730 V C -0.003 176.091 176.094 0.001 0.000 1.071 730 V CA -0.712 61.580 62.300 -0.013 0.000 0.894 730 V CB 2.056 33.865 31.823 -0.023 0.000 1.008 730 V HN 0.462 nan 8.190 nan 0.000 0.425 731 M N 3.993 123.597 119.600 0.007 0.000 2.188 731 M HA 0.334 4.806 4.480 -0.013 0.000 0.354 731 M C -0.455 175.858 176.300 0.022 0.000 1.342 731 M CA -0.261 55.039 55.300 0.000 0.000 1.117 731 M CB 1.331 33.915 32.600 -0.027 0.000 1.670 731 M HN 0.469 nan 8.290 nan 0.000 0.466 732 V N 6.521 126.458 119.914 0.038 0.000 2.470 732 V HA 0.032 4.145 4.120 -0.013 0.000 0.276 732 V C 0.957 177.084 176.094 0.054 0.000 1.040 732 V CA 0.289 62.626 62.300 0.060 0.000 1.008 732 V CB 0.497 32.369 31.823 0.081 0.000 0.990 732 V HN 0.887 nan 8.190 nan 0.000 0.477 733 I N 2.034 122.636 120.570 0.053 0.000 4.181 733 I HA 0.670 4.832 4.170 -0.013 0.000 0.331 733 I C 0.787 176.936 176.117 0.053 0.000 1.312 733 I CA 0.210 61.546 61.300 0.060 0.000 1.146 733 I CB 0.564 38.589 38.000 0.042 0.000 1.074 733 I HN 0.573 nan 8.210 nan 0.000 0.402 734 G N 1.053 109.873 108.800 0.034 0.000 2.766 734 G HA2 0.422 4.374 3.960 -0.013 0.000 0.288 734 G HA3 0.422 4.374 3.960 -0.013 0.000 0.288 734 G C -1.388 173.513 174.900 0.003 0.000 1.408 734 G CA -1.097 44.000 45.100 -0.005 0.000 0.852 734 G HN 0.184 nan 8.290 nan 0.000 0.487 735 R N 0.339 120.824 120.500 -0.025 0.000 2.502 735 R HA 0.117 4.450 4.340 -0.013 0.000 0.292 735 R C 0.258 176.567 176.300 0.015 0.000 0.998 735 R CA -0.076 56.014 56.100 -0.017 0.000 1.056 735 R CB -0.131 30.147 30.300 -0.037 0.000 0.939 735 R HN 0.383 nan 8.270 nan 0.000 0.411 736 L N 0.000 121.237 121.223 0.023 0.000 2.949 736 L HA 0.000 4.332 4.340 -0.013 0.000 0.249 736 L CA 0.000 54.876 54.840 0.060 0.000 0.813 736 L CB 0.000 42.067 42.059 0.014 0.000 0.961 736 L HN 0.000 nan 8.230 nan 0.000 0.502