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 3imz_1_D DATA FIRST_RESID 324 DATA SEQUENCE YQFEEENPLR DHPQPFEEGL RRLQEGDLPN AVLLFEAAVQ QDPKHMEAWQ DATA SEQUENCE YLGTTQAENE QELLAISALR RCLELKPDNQ TALMALAVSF TNESLQRQAC DATA SEQUENCE ETLRDWLRYT PAYAHLVTPA XXXXXXXXXX XXXXXXXSLL SDSLFLEVKE DATA SEQUENCE LFLAAVRLDP TSIDPDVQCG LGVLFNLSGE YDKAVDCFTA ALSVRPNDYL DATA SEQUENCE LWNKLGATLA NGNQSEEAVA AYRRALELQP GYIRSRYNLG ISCINLGAHR DATA SEQUENCE EAVEHFLEAL NMQRKSXXXX XXXGAMSENI WSTLRLALSM LGQSDAYGAA DATA SEQUENCE DARDLSTLLT MFGLPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 324 Y HA 0.000 nan 4.550 nan 0.000 0.201 324 Y C 0.000 175.661 175.900 -0.398 0.000 1.272 324 Y CA 0.000 57.963 58.100 -0.228 0.000 1.940 324 Y CB 0.000 38.361 38.460 -0.166 0.000 1.050 325 Q N 6.180 125.556 119.800 -0.707 0.000 2.421 325 Q HA 0.299 4.639 4.340 -0.000 0.000 0.242 325 Q C -1.083 174.722 176.000 -0.325 0.000 1.024 325 Q CA -0.297 55.267 55.803 -0.399 0.000 0.891 325 Q CB 0.493 29.079 28.738 -0.254 0.000 1.222 325 Q HN 0.476 nan 8.270 nan 0.000 0.483 326 F N 1.020 121.083 119.950 0.187 0.000 2.459 326 F HA 0.047 4.574 4.527 0.000 0.000 0.346 326 F C 1.311 177.188 175.800 0.127 0.000 1.128 326 F CA -0.434 57.722 58.000 0.261 0.000 1.268 326 F CB 0.420 39.558 39.000 0.230 0.000 1.161 326 F HN 0.338 nan 8.300 nan 0.000 0.583 327 E N 1.577 121.985 120.200 0.347 0.000 2.344 327 E HA 0.042 4.392 4.350 -0.000 0.000 0.270 327 E C 0.573 177.268 176.600 0.157 0.000 1.021 327 E CA 0.257 56.771 56.400 0.190 0.000 0.887 327 E CB 0.604 30.398 29.700 0.156 0.000 0.997 327 E HN 0.639 nan 8.360 nan 0.000 0.429 328 E N 3.158 123.423 120.200 0.108 0.000 2.028 328 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 328 E C 0.173 176.809 176.600 0.060 0.000 0.984 328 E CA 1.163 57.612 56.400 0.082 0.000 0.800 328 E CB -0.059 29.677 29.700 0.061 0.000 0.758 328 E HN 0.699 nan 8.360 nan 0.000 0.448 329 E N 2.315 122.547 120.200 0.054 0.000 1.858 329 E HA 0.066 4.416 4.350 -0.000 0.000 0.267 329 E C -0.599 176.026 176.600 0.042 0.000 1.215 329 E CA -0.142 56.282 56.400 0.041 0.000 0.952 329 E CB -0.408 29.315 29.700 0.037 0.000 1.058 329 E HN 0.054 nan 8.360 nan 0.000 0.407 330 N N 3.654 122.373 118.700 0.033 0.000 2.617 330 N HA 0.313 5.053 4.740 -0.000 0.000 0.263 330 N C -2.223 173.293 175.510 0.012 0.000 1.074 330 N CA -2.271 50.793 53.050 0.023 0.000 0.841 330 N CB 1.933 40.433 38.487 0.021 0.000 1.221 330 N HN 0.060 nan 8.380 nan 0.000 0.529 331 P HA -0.168 nan 4.420 nan 0.000 0.214 331 P C 0.577 177.889 177.300 0.019 0.000 1.164 331 P CA 1.149 64.257 63.100 0.013 0.000 0.942 331 P CB 0.400 32.106 31.700 0.010 0.000 0.791 332 L N -5.074 116.170 121.223 0.035 0.000 2.365 332 L HA -0.277 4.063 4.340 -0.000 0.000 0.460 332 L C 1.827 178.711 176.870 0.024 0.000 0.704 332 L CA 2.044 56.903 54.840 0.031 0.000 3.226 332 L CB -1.602 40.450 42.059 -0.011 0.000 0.636 332 L HN -0.059 nan 8.230 nan 0.000 0.771 333 R N 0.797 121.300 120.500 0.005 0.000 2.120 333 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 333 R C 0.760 177.058 176.300 -0.003 0.000 1.123 333 R CA 2.214 58.303 56.100 -0.018 0.000 0.975 333 R CB -0.294 29.988 30.300 -0.029 0.000 0.866 333 R HN 0.522 nan 8.270 nan 0.000 0.446 334 D N -0.458 119.951 120.400 0.015 0.000 2.491 334 D HA 0.041 4.681 4.640 -0.000 0.000 0.228 334 D C -0.710 175.604 176.300 0.023 0.000 1.183 334 D CA -0.107 53.899 54.000 0.009 0.000 0.827 334 D CB -0.309 40.486 40.800 -0.007 0.000 0.989 334 D HN 0.335 nan 8.370 nan 0.000 0.494 335 H N 1.500 120.550 119.070 -0.034 0.000 2.848 335 H HA 0.047 4.603 4.556 0.000 0.000 0.341 335 H C -1.067 174.250 175.328 -0.018 0.000 1.060 335 H CA -0.913 55.117 56.048 -0.030 0.000 1.444 335 H CB 1.313 31.049 29.762 -0.044 0.000 1.446 335 H HN -0.096 nan 8.280 nan 0.000 0.583 336 P HA -0.128 nan 4.420 nan 0.000 0.217 336 P C -0.058 177.300 177.300 0.096 0.000 1.151 336 P CA 1.060 64.137 63.100 -0.038 0.000 0.828 336 P CB 0.483 32.114 31.700 -0.115 0.000 0.788 337 Q N -0.466 119.491 119.800 0.262 0.000 2.851 337 Q HA 0.210 4.550 4.340 -0.000 0.000 0.331 337 Q C -1.860 174.290 176.000 0.250 0.000 0.979 337 Q CA -1.722 54.231 55.803 0.250 0.000 0.955 337 Q CB 1.066 29.910 28.738 0.176 0.000 1.298 337 Q HN 0.169 nan 8.270 nan 0.000 0.432 338 P HA -0.176 nan 4.420 nan 0.000 0.216 338 P C 1.002 178.287 177.300 -0.024 0.000 1.153 338 P CA 0.829 63.922 63.100 -0.011 0.000 0.844 338 P CB 0.155 31.873 31.700 0.030 0.000 0.787 339 F N 1.722 121.671 119.950 -0.001 0.000 2.113 339 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 339 F C 1.954 177.784 175.800 0.051 0.000 1.103 339 F CA 1.644 59.687 58.000 0.072 0.000 1.248 339 F CB -0.642 38.380 39.000 0.037 0.000 0.999 339 F HN -0.210 nan 8.300 nan 0.000 0.475 340 E N 0.402 120.587 120.200 -0.026 0.000 2.085 340 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 340 E C 2.209 178.683 176.600 -0.210 0.000 0.994 340 E CA 1.508 57.830 56.400 -0.129 0.000 0.801 340 E CB -0.410 29.307 29.700 0.029 0.000 0.743 340 E HN 0.376 nan 8.360 nan 0.000 0.453 341 E N -0.244 119.828 120.200 -0.214 0.000 2.072 341 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 341 E C 2.160 178.516 176.600 -0.406 0.000 0.985 341 E CA 1.053 57.272 56.400 -0.303 0.000 0.801 341 E CB -0.435 28.961 29.700 -0.507 0.000 0.750 341 E HN 0.349 nan 8.360 nan 0.000 0.452 342 G N 1.455 109.916 108.800 -0.565 0.000 2.446 342 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 342 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 342 G C 1.772 176.286 174.900 -0.643 0.000 1.168 342 G CA 0.736 45.249 45.100 -0.977 0.000 0.771 342 G HN 0.194 nan 8.290 nan 0.000 0.551 343 L N -0.293 120.695 121.223 -0.391 0.000 2.042 343 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 343 L C 3.229 179.997 176.870 -0.170 0.000 1.076 343 L CA 1.290 55.974 54.840 -0.260 0.000 0.749 343 L CB -0.376 41.408 42.059 -0.459 0.000 0.893 343 L HN 0.178 nan 8.230 nan 0.000 0.432 344 R N -0.562 119.823 120.500 -0.191 0.000 2.080 344 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 344 R C 2.488 178.723 176.300 -0.109 0.000 1.137 344 R CA 1.122 57.148 56.100 -0.124 0.000 0.943 344 R CB -0.305 29.925 30.300 -0.117 0.000 0.846 344 R HN 0.273 nan 8.270 nan 0.000 0.431 345 R N 0.922 121.325 120.500 -0.162 0.000 2.083 345 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 345 R C 2.298 178.554 176.300 -0.073 0.000 1.137 345 R CA 1.010 57.030 56.100 -0.135 0.000 0.951 345 R CB -1.176 29.004 30.300 -0.200 0.000 0.851 345 R HN 0.202 nan 8.270 nan 0.000 0.434 346 L N 1.446 122.637 121.223 -0.053 0.000 2.012 346 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 346 L C 2.341 179.262 176.870 0.084 0.000 1.073 346 L CA 1.955 56.839 54.840 0.073 0.000 0.748 346 L CB -0.699 41.484 42.059 0.206 0.000 0.891 346 L HN 0.091 nan 8.230 nan 0.000 0.431 347 Q N 0.058 119.890 119.800 0.053 0.000 2.226 347 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 347 Q C 1.901 177.915 176.000 0.024 0.000 0.975 347 Q CA 1.815 57.651 55.803 0.056 0.000 0.866 347 Q CB -0.123 28.634 28.738 0.031 0.000 0.915 347 Q HN 0.695 nan 8.270 nan 0.000 0.440 348 E N -1.575 118.622 120.200 -0.004 0.000 2.489 348 E HA 0.182 4.532 4.350 -0.000 0.000 0.193 348 E C 0.452 177.038 176.600 -0.024 0.000 1.057 348 E CA 0.364 56.754 56.400 -0.017 0.000 0.866 348 E CB 0.202 29.884 29.700 -0.030 0.000 0.916 348 E HN 0.469 nan 8.360 nan 0.000 0.500 349 G N 2.425 111.214 108.800 -0.018 0.000 2.160 349 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 349 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 349 G C -0.245 174.644 174.900 -0.018 0.000 1.022 349 G CA 0.274 45.355 45.100 -0.031 0.000 0.741 349 G HN 0.270 nan 8.290 nan 0.000 0.508 350 D N 0.363 120.753 120.400 -0.017 0.000 2.483 350 D HA 0.440 5.080 4.640 -0.000 0.000 0.281 350 D C 1.834 178.120 176.300 -0.023 0.000 1.174 350 D CA -0.623 53.361 54.000 -0.027 0.000 0.938 350 D CB -0.117 40.655 40.800 -0.047 0.000 1.002 350 D HN 0.217 nan 8.370 nan 0.000 0.501 351 L N 1.973 123.202 121.223 0.010 0.000 2.005 351 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 351 L C -0.533 176.348 176.870 0.020 0.000 1.072 351 L CA 0.918 55.782 54.840 0.040 0.000 0.744 351 L CB -1.571 40.534 42.059 0.077 0.000 0.895 351 L HN 0.239 nan 8.230 nan 0.000 0.433 352 P HA -0.139 nan 4.420 nan 0.000 0.216 352 P C 1.093 178.381 177.300 -0.020 0.000 1.150 352 P CA 1.333 64.439 63.100 0.010 0.000 0.843 352 P CB -0.049 31.656 31.700 0.009 0.000 0.787 353 N N -0.921 117.747 118.700 -0.055 0.000 2.250 353 N HA -0.037 4.703 4.740 -0.000 0.000 0.181 353 N C 1.708 177.097 175.510 -0.203 0.000 1.017 353 N CA 1.259 54.246 53.050 -0.106 0.000 0.866 353 N CB -0.821 37.605 38.487 -0.103 0.000 0.985 353 N HN 0.031 nan 8.380 nan 0.000 0.429 354 A N 0.919 123.604 122.820 -0.225 0.000 1.908 354 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 354 A C 2.502 179.786 177.584 -0.500 0.000 1.181 354 A CA 1.359 53.122 52.037 -0.457 0.000 0.627 354 A CB -0.845 18.004 19.000 -0.252 0.000 0.818 354 A HN 0.087 nan 8.150 nan 0.000 0.445 355 V N 0.113 119.967 119.914 -0.100 0.000 2.287 355 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 355 V C 2.585 178.699 176.094 0.034 0.000 1.053 355 V CA 2.054 64.403 62.300 0.083 0.000 1.027 355 V CB -0.770 31.137 31.823 0.140 0.000 0.646 355 V HN 0.584 nan 8.190 nan 0.000 0.447 356 L N -0.891 120.318 121.223 -0.023 0.000 2.079 356 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 356 L C 2.373 179.184 176.870 -0.098 0.000 1.081 356 L CA 1.533 56.359 54.840 -0.024 0.000 0.752 356 L CB -0.477 41.563 42.059 -0.032 0.000 0.896 356 L HN 0.322 nan 8.230 nan 0.000 0.433 357 L N -1.829 119.252 121.223 -0.236 0.000 2.109 357 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 357 L C 2.447 179.194 176.870 -0.205 0.000 1.086 357 L CA 0.924 55.578 54.840 -0.310 0.000 0.760 357 L CB -0.435 41.317 42.059 -0.512 0.000 0.910 357 L HN 0.095 nan 8.230 nan 0.000 0.437 358 F N 0.408 120.305 119.950 -0.089 0.000 2.146 358 F HA -0.158 4.369 4.527 0.000 0.000 0.298 358 F C 2.535 178.214 175.800 -0.201 0.000 1.096 358 F CA 0.829 58.768 58.000 -0.101 0.000 1.275 358 F CB -0.849 38.133 39.000 -0.030 0.000 1.008 358 F HN 0.096 nan 8.300 nan 0.000 0.480 359 E N 0.226 120.449 120.200 0.039 0.000 2.070 359 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 359 E C 2.452 178.916 176.600 -0.226 0.000 1.004 359 E CA 1.252 57.629 56.400 -0.039 0.000 0.805 359 E CB -0.402 29.398 29.700 0.167 0.000 0.744 359 E HN 0.340 nan 8.360 nan 0.000 0.451 360 A N 1.612 124.344 122.820 -0.146 0.000 1.883 360 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 360 A C 2.444 179.939 177.584 -0.149 0.000 1.186 360 A CA 2.043 53.990 52.037 -0.150 0.000 0.624 360 A CB -0.825 18.127 19.000 -0.080 0.000 0.822 360 A HN 0.320 nan 8.150 nan 0.000 0.444 361 A N -0.244 122.515 122.820 -0.101 0.000 1.917 361 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 361 A C 2.288 179.761 177.584 -0.184 0.000 1.182 361 A CA 2.495 54.485 52.037 -0.078 0.000 0.633 361 A CB -1.206 17.780 19.000 -0.024 0.000 0.819 361 A HN 1.275 nan 8.150 nan 0.000 0.448 362 V N -3.129 116.563 119.914 -0.371 0.000 3.129 362 V HA -0.092 4.028 4.120 -0.000 0.000 0.259 362 V C 1.842 177.754 176.094 -0.303 0.000 1.116 362 V CA 1.698 63.696 62.300 -0.503 0.000 1.127 362 V CB -0.693 30.348 31.823 -1.304 0.000 0.742 362 V HN 0.587 nan 8.190 nan 0.000 0.474 363 Q N 1.010 120.586 119.800 -0.374 0.000 2.163 363 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 363 Q C 2.395 178.306 176.000 -0.148 0.000 0.954 363 Q CA 1.745 57.343 55.803 -0.342 0.000 0.851 363 Q CB -0.108 28.307 28.738 -0.538 0.000 0.928 363 Q HN 0.922 nan 8.270 nan 0.000 0.459 364 Q N 0.172 119.906 119.800 -0.110 0.000 2.269 364 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 364 Q C 0.013 176.011 176.000 -0.004 0.000 0.946 364 Q CA 0.846 56.624 55.803 -0.042 0.000 0.877 364 Q CB 0.244 28.969 28.738 -0.022 0.000 0.963 364 Q HN -0.022 nan 8.270 nan 0.000 0.472 365 D N 0.573 120.976 120.400 0.006 0.000 2.358 365 D HA 0.239 4.879 4.640 -0.000 0.000 0.253 365 D C -2.288 174.064 176.300 0.085 0.000 1.288 365 D CA -2.420 51.610 54.000 0.050 0.000 0.950 365 D CB 1.737 42.575 40.800 0.063 0.000 1.197 365 D HN -0.201 nan 8.370 nan 0.000 0.550 366 P HA -0.021 nan 4.420 nan 0.000 0.226 366 P C 0.671 178.215 177.300 0.408 0.000 1.153 366 P CA 0.769 64.054 63.100 0.309 0.000 0.777 366 P CB 0.328 32.192 31.700 0.273 0.000 0.794 367 K N -1.827 118.714 120.400 0.235 0.000 2.444 367 K HA -0.010 4.310 4.320 -0.000 0.000 0.193 367 K C 0.481 177.197 176.600 0.193 0.000 1.024 367 K CA -0.115 56.286 56.287 0.189 0.000 1.077 367 K CB -0.472 32.081 32.500 0.089 0.000 0.833 367 K HN 0.316 nan 8.250 nan 0.000 0.517 368 H N 1.853 120.971 119.070 0.080 0.000 3.291 368 H HA 0.008 4.564 4.556 -0.000 0.000 0.256 368 H C 1.490 176.846 175.328 0.047 0.000 1.315 368 H CA -0.535 55.491 56.048 -0.037 0.000 1.521 368 H CB 0.431 30.094 29.762 -0.165 0.000 1.621 368 H HN 0.048 nan 8.280 nan 0.000 0.498 369 M N 3.224 122.984 119.600 0.267 0.000 2.117 369 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 369 M C 1.478 177.886 176.300 0.180 0.000 1.065 369 M CA 1.806 57.247 55.300 0.236 0.000 1.114 369 M CB -0.170 32.494 32.600 0.106 0.000 1.361 369 M HN 0.614 nan 8.290 nan 0.000 0.408 370 E N 0.326 120.600 120.200 0.123 0.000 2.077 370 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 370 E C 1.956 178.491 176.600 -0.108 0.000 0.989 370 E CA 1.825 58.230 56.400 0.008 0.000 0.800 370 E CB -0.294 29.326 29.700 -0.134 0.000 0.746 370 E HN 0.597 nan 8.360 nan 0.000 0.452 371 A N -0.594 121.889 122.820 -0.561 0.000 1.930 371 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 371 A C 1.971 179.387 177.584 -0.280 0.000 1.175 371 A CA 1.224 52.944 52.037 -0.528 0.000 0.627 371 A CB -1.041 17.383 19.000 -0.961 0.000 0.815 371 A HN 0.440 nan 8.150 nan 0.000 0.443 372 W N -0.202 121.016 121.300 -0.138 0.000 2.358 372 W HA -0.173 4.487 4.660 0.000 0.000 0.303 372 W C 2.650 179.110 176.519 -0.100 0.000 1.208 372 W CA 1.420 58.707 57.345 -0.096 0.000 1.274 372 W CB -0.200 29.224 29.460 -0.059 0.000 1.138 372 W HN 0.454 nan 8.180 nan 0.000 0.515 373 Q N -0.456 119.429 119.800 0.141 0.000 2.045 373 Q HA -0.286 4.054 4.340 -0.000 0.000 0.206 373 Q C 1.958 177.875 176.000 -0.138 0.000 0.991 373 Q CA 2.081 57.884 55.803 -0.001 0.000 0.851 373 Q CB -0.729 27.998 28.738 -0.018 0.000 0.911 373 Q HN 0.390 nan 8.270 nan 0.000 0.418 374 Y N -0.192 119.965 120.300 -0.239 0.000 2.373 374 Y HA -0.184 4.366 4.550 0.000 0.000 0.293 374 Y C 2.006 177.642 175.900 -0.440 0.000 1.129 374 Y CA 0.755 58.545 58.100 -0.517 0.000 1.226 374 Y CB 0.031 37.802 38.460 -1.148 0.000 1.000 374 Y HN 0.246 nan 8.280 nan 0.000 0.549 375 L N -0.230 120.904 121.223 -0.148 0.000 2.027 375 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 375 L C 2.372 179.325 176.870 0.138 0.000 1.074 375 L CA 2.250 57.143 54.840 0.089 0.000 0.745 375 L CB -1.238 40.810 42.059 -0.018 0.000 0.898 375 L HN 0.163 nan 8.230 nan 0.000 0.433 376 G N -1.573 107.288 108.800 0.101 0.000 2.421 376 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.216 376 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.216 376 G C 1.511 176.443 174.900 0.053 0.000 1.171 376 G CA 1.501 46.660 45.100 0.098 0.000 0.775 376 G HN 0.529 nan 8.290 nan 0.000 0.543 377 T N -1.474 113.074 114.554 -0.010 0.000 2.821 377 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 377 T C 2.318 177.068 174.700 0.084 0.000 1.046 377 T CA 2.097 64.187 62.100 -0.016 0.000 1.139 377 T CB -0.779 68.007 68.868 -0.137 0.000 0.871 377 T HN 0.171 nan 8.240 nan 0.000 0.454 378 T N 1.676 116.320 114.554 0.151 0.000 2.867 378 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 378 T C 2.147 176.966 174.700 0.197 0.000 1.057 378 T CA 0.839 63.087 62.100 0.246 0.000 1.136 378 T CB -0.249 68.861 68.868 0.404 0.000 0.874 378 T HN 0.302 nan 8.240 nan 0.000 0.466 379 Q N 0.788 120.694 119.800 0.177 0.000 2.119 379 Q HA 0.061 4.401 4.340 -0.000 0.000 0.201 379 Q C 2.758 178.806 176.000 0.080 0.000 0.972 379 Q CA 1.346 57.235 55.803 0.143 0.000 0.847 379 Q CB -0.532 28.318 28.738 0.186 0.000 0.903 379 Q HN 0.588 nan 8.270 nan 0.000 0.433 380 A N 1.232 124.097 122.820 0.074 0.000 1.933 380 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 380 A C 1.898 179.509 177.584 0.045 0.000 1.175 380 A CA 1.461 53.523 52.037 0.041 0.000 0.628 380 A CB -0.385 18.642 19.000 0.044 0.000 0.814 380 A HN 0.371 nan 8.150 nan 0.000 0.444 381 E N -0.824 119.451 120.200 0.125 0.000 2.208 381 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 381 E C 1.055 177.648 176.600 -0.011 0.000 0.988 381 E CA 0.910 57.419 56.400 0.183 0.000 0.828 381 E CB -0.115 29.826 29.700 0.400 0.000 0.763 381 E HN 0.583 nan 8.360 nan 0.000 0.478 382 N N 1.002 119.713 118.700 0.018 0.000 2.268 382 N HA -0.067 4.673 4.740 -0.000 0.000 0.204 382 N C -0.587 174.878 175.510 -0.076 0.000 1.124 382 N CA 0.197 53.238 53.050 -0.014 0.000 0.838 382 N CB 0.176 38.691 38.487 0.047 0.000 0.994 382 N HN -0.095 nan 8.380 nan 0.000 0.489 383 E N 0.165 120.289 120.200 -0.126 0.000 2.320 383 E HA -0.226 4.124 4.350 -0.000 0.000 0.234 383 E C -1.176 175.326 176.600 -0.164 0.000 1.183 383 E CA 0.593 56.871 56.400 -0.203 0.000 0.713 383 E CB -1.523 27.992 29.700 -0.307 0.000 1.226 383 E HN 0.389 nan 8.360 nan 0.000 0.382 384 Q N 0.353 120.101 119.800 -0.085 0.000 3.122 384 Q HA 0.132 4.472 4.340 -0.000 0.000 0.282 384 Q C 0.365 176.345 176.000 -0.033 0.000 0.947 384 Q CA -0.213 55.557 55.803 -0.054 0.000 0.812 384 Q CB 1.254 29.989 28.738 -0.006 0.000 1.333 384 Q HN 0.266 nan 8.270 nan 0.000 0.430 385 E N 1.083 121.249 120.200 -0.057 0.000 2.110 385 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 385 E C 1.402 177.998 176.600 -0.007 0.000 0.988 385 E CA 1.239 57.623 56.400 -0.028 0.000 0.804 385 E CB 0.193 29.875 29.700 -0.031 0.000 0.745 385 E HN 0.499 nan 8.360 nan 0.000 0.458 386 L N -0.370 120.841 121.223 -0.020 0.000 2.109 386 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 386 L C 2.282 179.136 176.870 -0.026 0.000 1.086 386 L CA 0.720 55.550 54.840 -0.016 0.000 0.760 386 L CB -0.302 41.736 42.059 -0.035 0.000 0.910 386 L HN 0.188 nan 8.230 nan 0.000 0.437 387 L N -0.592 120.604 121.223 -0.045 0.000 2.156 387 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 387 L C 2.866 179.848 176.870 0.186 0.000 1.095 387 L CA 0.846 55.656 54.840 -0.050 0.000 0.770 387 L CB -0.671 41.301 42.059 -0.144 0.000 0.914 387 L HN 0.205 nan 8.230 nan 0.000 0.439 388 A N 0.717 123.615 122.820 0.129 0.000 1.865 388 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 388 A C 2.220 179.844 177.584 0.068 0.000 1.191 388 A CA 1.689 53.796 52.037 0.118 0.000 0.623 388 A CB -0.761 18.272 19.000 0.055 0.000 0.826 388 A HN 0.326 nan 8.150 nan 0.000 0.444 389 I N -0.581 119.998 120.570 0.015 0.000 2.248 389 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 389 I C 2.835 178.962 176.117 0.017 0.000 1.107 389 I CA 1.627 62.907 61.300 -0.034 0.000 1.373 389 I CB -0.253 37.755 38.000 0.015 0.000 1.055 389 I HN 0.416 nan 8.210 nan 0.000 0.418 390 S N 0.175 115.923 115.700 0.078 0.000 2.355 390 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 390 S C 2.185 176.863 174.600 0.130 0.000 1.031 390 S CA 1.314 59.575 58.200 0.101 0.000 0.993 390 S CB -0.136 63.125 63.200 0.101 0.000 0.859 390 S HN 0.484 nan 8.310 nan 0.000 0.453 391 A N 1.339 124.331 122.820 0.287 0.000 1.898 391 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 391 A C 2.148 179.794 177.584 0.103 0.000 1.181 391 A CA 1.179 53.387 52.037 0.285 0.000 0.620 391 A CB -0.768 18.456 19.000 0.373 0.000 0.819 391 A HN 0.555 nan 8.150 nan 0.000 0.442 392 L N -1.045 120.208 121.223 0.049 0.000 2.131 392 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 392 L C 2.859 179.684 176.870 -0.075 0.000 1.092 392 L CA 1.313 56.137 54.840 -0.026 0.000 0.759 392 L CB -0.445 41.568 42.059 -0.077 0.000 0.903 392 L HN 0.370 nan 8.230 nan 0.000 0.435 393 R N -0.661 119.788 120.500 -0.084 0.000 2.075 393 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 393 R C 2.489 178.675 176.300 -0.189 0.000 1.126 393 R CA 0.816 56.858 56.100 -0.096 0.000 0.963 393 R CB -0.175 30.097 30.300 -0.047 0.000 0.858 393 R HN 0.249 nan 8.270 nan 0.000 0.435 394 R N 0.486 120.777 120.500 -0.349 0.000 2.083 394 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 394 R C 2.459 178.450 176.300 -0.516 0.000 1.137 394 R CA 1.256 56.961 56.100 -0.659 0.000 0.951 394 R CB -1.325 28.033 30.300 -1.571 0.000 0.851 394 R HN 0.339 nan 8.270 nan 0.000 0.434 395 C N 0.914 120.032 119.300 -0.302 0.000 2.398 395 C HA -0.078 4.382 4.460 -0.000 0.000 0.276 395 C C 2.693 177.631 174.990 -0.087 0.000 1.222 395 C CA 0.752 59.723 59.018 -0.078 0.000 1.746 395 C CB -1.086 26.680 27.740 0.043 0.000 2.039 395 C HN 0.424 nan 8.230 nan 0.000 0.470 396 L N 0.462 121.627 121.223 -0.097 0.000 2.313 396 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 396 L C 2.647 179.463 176.870 -0.090 0.000 1.119 396 L CA 1.639 56.429 54.840 -0.082 0.000 0.809 396 L CB -0.775 41.252 42.059 -0.055 0.000 0.933 396 L HN 0.533 nan 8.230 nan 0.000 0.449 397 E N 0.827 120.959 120.200 -0.113 0.000 2.106 397 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 397 E C 2.265 178.810 176.600 -0.091 0.000 0.984 397 E CA 0.931 57.269 56.400 -0.104 0.000 0.806 397 E CB 0.078 29.694 29.700 -0.140 0.000 0.750 397 E HN 0.474 nan 8.360 nan 0.000 0.458 398 L N 0.001 121.164 121.223 -0.099 0.000 2.095 398 L HA 0.015 4.355 4.340 -0.000 0.000 0.204 398 L C 1.449 178.289 176.870 -0.050 0.000 1.080 398 L CA 0.856 55.663 54.840 -0.055 0.000 0.759 398 L CB 0.122 42.170 42.059 -0.018 0.000 0.914 398 L HN -0.080 nan 8.230 nan 0.000 0.439 399 K N -0.496 119.864 120.400 -0.066 0.000 2.675 399 K HA 0.229 4.549 4.320 -0.000 0.000 0.224 399 K C -2.208 174.306 176.600 -0.143 0.000 1.003 399 K CA -1.485 54.749 56.287 -0.089 0.000 1.034 399 K CB 1.746 34.206 32.500 -0.066 0.000 1.218 399 K HN -0.269 nan 8.250 nan 0.000 0.507 400 P HA -0.156 nan 4.420 nan 0.000 0.219 400 P C 0.017 176.982 177.300 -0.558 0.000 1.146 400 P CA 1.105 64.047 63.100 -0.263 0.000 0.808 400 P CB 0.145 31.722 31.700 -0.205 0.000 0.779 401 D N -2.535 117.475 120.400 -0.650 0.000 2.395 401 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 401 D C 0.114 176.221 176.300 -0.321 0.000 1.146 401 D CA -0.337 53.157 54.000 -0.843 0.000 0.830 401 D CB -1.325 39.056 40.800 -0.698 0.000 0.958 401 D HN -0.015 nan 8.370 nan 0.000 0.501 402 N N 1.586 120.166 118.700 -0.200 0.000 2.400 402 N HA -0.026 4.714 4.740 -0.000 0.000 0.267 402 N C 0.741 176.255 175.510 0.006 0.000 1.208 402 N CA 0.202 53.210 53.050 -0.071 0.000 0.951 402 N CB 0.839 39.299 38.487 -0.045 0.000 1.227 402 N HN 0.187 nan 8.380 nan 0.000 0.488 403 Q N 1.411 121.231 119.800 0.032 0.000 2.084 403 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 403 Q C 1.426 177.610 176.000 0.308 0.000 0.978 403 Q CA 1.921 57.806 55.803 0.136 0.000 0.844 403 Q CB 0.070 28.821 28.738 0.023 0.000 0.898 403 Q HN 0.589 nan 8.270 nan 0.000 0.426 404 T N 0.637 115.295 114.554 0.174 0.000 2.746 404 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 404 T C 1.871 176.609 174.700 0.063 0.000 1.039 404 T CA 1.286 63.457 62.100 0.118 0.000 1.142 404 T CB -0.316 68.570 68.868 0.031 0.000 0.866 404 T HN 0.410 nan 8.240 nan 0.000 0.444 405 A N 0.836 123.681 122.820 0.041 0.000 1.968 405 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 405 A C 2.288 179.890 177.584 0.029 0.000 1.169 405 A CA 0.878 52.918 52.037 0.004 0.000 0.638 405 A CB -0.686 18.306 19.000 -0.012 0.000 0.812 405 A HN 0.450 nan 8.150 nan 0.000 0.446 406 L N -1.644 119.651 121.223 0.120 0.000 2.017 406 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 406 L C 2.748 179.707 176.870 0.148 0.000 1.073 406 L CA 1.801 56.750 54.840 0.182 0.000 0.745 406 L CB -0.438 41.822 42.059 0.335 0.000 0.894 406 L HN 0.477 nan 8.230 nan 0.000 0.432 407 M N 0.204 119.898 119.600 0.158 0.000 2.086 407 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 407 M C 2.295 178.543 176.300 -0.087 0.000 1.067 407 M CA 2.150 57.384 55.300 -0.109 0.000 1.116 407 M CB -0.574 31.872 32.600 -0.256 0.000 1.348 407 M HN 0.178 nan 8.290 nan 0.000 0.407 408 A N -0.266 122.521 122.820 -0.054 0.000 1.908 408 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 408 A C 2.161 179.677 177.584 -0.114 0.000 1.181 408 A CA 1.916 53.908 52.037 -0.073 0.000 0.627 408 A CB -1.228 17.731 19.000 -0.069 0.000 0.818 408 A HN 0.595 nan 8.150 nan 0.000 0.445 409 L N -0.527 120.604 121.223 -0.154 0.000 2.141 409 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 409 L C 2.601 179.241 176.870 -0.382 0.000 1.094 409 L CA 1.879 56.510 54.840 -0.349 0.000 0.763 409 L CB -0.635 41.193 42.059 -0.385 0.000 0.908 409 L HN 0.330 nan 8.230 nan 0.000 0.437 410 A N -1.076 121.668 122.820 -0.127 0.000 1.902 410 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 410 A C 2.226 179.828 177.584 0.029 0.000 1.181 410 A CA 1.978 54.027 52.037 0.019 0.000 0.623 410 A CB -1.028 17.981 19.000 0.015 0.000 0.818 410 A HN 0.287 nan 8.150 nan 0.000 0.443 411 V N -0.599 119.301 119.914 -0.025 0.000 2.358 411 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 411 V C 2.762 178.866 176.094 0.016 0.000 1.047 411 V CA 2.248 64.550 62.300 0.003 0.000 1.035 411 V CB -0.840 30.974 31.823 -0.016 0.000 0.658 411 V HN 0.542 nan 8.190 nan 0.000 0.452 412 S N -0.491 115.180 115.700 -0.048 0.000 2.368 412 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 412 S C 1.812 176.462 174.600 0.084 0.000 1.030 412 S CA 1.516 59.691 58.200 -0.042 0.000 0.999 412 S CB -0.349 62.757 63.200 -0.156 0.000 0.844 412 S HN 0.496 nan 8.310 nan 0.000 0.459 413 F N 2.055 122.017 119.950 0.019 0.000 2.146 413 F HA -0.052 4.475 4.527 0.000 0.000 0.298 413 F C 2.763 178.575 175.800 0.020 0.000 1.096 413 F CA 0.873 58.884 58.000 0.018 0.000 1.275 413 F CB -1.668 37.344 39.000 0.021 0.000 1.008 413 F HN 0.149 nan 8.300 nan 0.000 0.480 414 T N 0.298 114.982 114.554 0.217 0.000 2.684 414 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 414 T C 1.782 176.550 174.700 0.113 0.000 1.036 414 T CA 1.644 63.825 62.100 0.135 0.000 1.148 414 T CB -0.402 68.532 68.868 0.109 0.000 0.863 414 T HN 0.126 nan 8.240 nan 0.000 0.436 415 N N 1.206 119.969 118.700 0.105 0.000 2.149 415 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 415 N C 1.611 177.170 175.510 0.081 0.000 1.019 415 N CA 0.867 53.968 53.050 0.085 0.000 0.857 415 N CB -0.256 38.269 38.487 0.063 0.000 0.997 415 N HN 0.380 nan 8.380 nan 0.000 0.426 416 E N 0.421 120.682 120.200 0.102 0.000 2.502 416 E HA 0.103 4.453 4.350 -0.000 0.000 0.194 416 E C -0.086 176.553 176.600 0.065 0.000 1.062 416 E CA -0.026 56.426 56.400 0.087 0.000 0.867 416 E CB -0.095 29.676 29.700 0.119 0.000 0.888 416 E HN 0.082 nan 8.360 nan 0.000 0.510 417 S N -0.082 115.659 115.700 0.068 0.000 3.635 417 S HA -0.191 4.279 4.470 -0.000 0.000 0.328 417 S C 0.366 174.974 174.600 0.012 0.000 1.135 417 S CA 0.279 58.505 58.200 0.043 0.000 0.942 417 S CB -1.837 61.383 63.200 0.032 0.000 0.930 417 S HN 0.307 nan 8.310 nan 0.000 0.512 418 L N 1.535 122.763 121.223 0.009 0.000 2.449 418 L HA 0.204 4.544 4.340 -0.000 0.000 0.255 418 L C 1.714 178.537 176.870 -0.080 0.000 1.167 418 L CA -0.350 54.433 54.840 -0.096 0.000 1.090 418 L CB 0.107 42.011 42.059 -0.258 0.000 1.385 418 L HN 0.344 nan 8.230 nan 0.000 0.411 419 Q N 0.869 120.645 119.800 -0.041 0.000 2.096 419 Q HA -0.132 4.208 4.340 -0.000 0.000 0.197 419 Q C 2.004 177.997 176.000 -0.010 0.000 0.964 419 Q CA 0.951 56.749 55.803 -0.008 0.000 0.838 419 Q CB 0.130 28.863 28.738 -0.008 0.000 0.906 419 Q HN 0.554 nan 8.270 nan 0.000 0.444 420 R N 0.986 121.462 120.500 -0.040 0.000 2.092 420 R HA -0.173 4.167 4.340 -0.000 0.000 0.231 420 R C 1.972 178.245 176.300 -0.045 0.000 1.119 420 R CA 1.400 57.482 56.100 -0.030 0.000 0.970 420 R CB 0.186 30.462 30.300 -0.040 0.000 0.864 420 R HN 0.210 nan 8.270 nan 0.000 0.440 421 Q N -0.099 119.614 119.800 -0.144 0.000 2.046 421 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 421 Q C 2.052 178.083 176.000 0.052 0.000 0.975 421 Q CA 1.927 57.596 55.803 -0.224 0.000 0.836 421 Q CB -0.232 28.002 28.738 -0.841 0.000 0.896 421 Q HN 0.400 nan 8.270 nan 0.000 0.428 422 A N -0.207 122.683 122.820 0.117 0.000 1.933 422 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 422 A C 2.303 179.980 177.584 0.155 0.000 1.175 422 A CA 1.492 53.682 52.037 0.255 0.000 0.628 422 A CB -1.215 17.903 19.000 0.197 0.000 0.814 422 A HN 0.565 nan 8.150 nan 0.000 0.444 423 C N -0.507 118.854 119.300 0.102 0.000 2.457 423 C HA -0.027 4.433 4.460 -0.000 0.000 0.278 423 C C 2.560 177.617 174.990 0.111 0.000 1.309 423 C CA 1.219 60.291 59.018 0.091 0.000 1.735 423 C CB -1.274 26.519 27.740 0.088 0.000 1.992 423 C HN 0.700 nan 8.230 nan 0.000 0.493 424 E N -0.184 120.080 120.200 0.106 0.000 2.051 424 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 424 E C 2.155 178.851 176.600 0.160 0.000 0.991 424 E CA 1.991 58.457 56.400 0.110 0.000 0.799 424 E CB -0.217 29.534 29.700 0.085 0.000 0.748 424 E HN 0.629 nan 8.360 nan 0.000 0.449 425 T N 1.343 116.023 114.554 0.209 0.000 2.867 425 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 425 T C 1.904 176.770 174.700 0.278 0.000 1.057 425 T CA 0.618 62.865 62.100 0.245 0.000 1.136 425 T CB -0.079 68.948 68.868 0.264 0.000 0.874 425 T HN 0.076 nan 8.240 nan 0.000 0.466 426 L N 0.441 121.816 121.223 0.254 0.000 2.141 426 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 426 L C 2.830 179.995 176.870 0.492 0.000 1.094 426 L CA 1.104 56.159 54.840 0.358 0.000 0.763 426 L CB -0.383 41.781 42.059 0.175 0.000 0.908 426 L HN 0.145 nan 8.230 nan 0.000 0.437 427 R N 0.064 120.746 120.500 0.303 0.000 2.073 427 R HA -0.152 4.188 4.340 -0.000 0.000 0.229 427 R C 1.805 178.163 176.300 0.097 0.000 1.120 427 R CA 1.489 57.692 56.100 0.171 0.000 0.967 427 R CB -0.031 30.324 30.300 0.092 0.000 0.862 427 R HN 0.242 nan 8.270 nan 0.000 0.436 428 D N -0.264 120.222 120.400 0.144 0.000 2.123 428 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 428 D C 1.306 177.746 176.300 0.233 0.000 0.992 428 D CA 1.112 55.190 54.000 0.130 0.000 0.833 428 D CB -0.424 40.528 40.800 0.253 0.000 0.954 428 D HN 0.335 nan 8.370 nan 0.000 0.455 429 W N 1.038 122.429 121.300 0.153 0.000 2.317 429 W HA -0.235 4.424 4.660 -0.000 0.000 0.318 429 W C 2.096 178.654 176.519 0.066 0.000 1.227 429 W CA 1.222 58.659 57.345 0.153 0.000 1.269 429 W CB -0.616 28.947 29.460 0.171 0.000 1.155 429 W HN 0.002 nan 8.180 nan 0.000 0.484 430 L N 1.851 123.144 121.223 0.117 0.000 2.083 430 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 430 L C 2.830 179.531 176.870 -0.282 0.000 1.083 430 L CA 2.604 57.302 54.840 -0.236 0.000 0.752 430 L CB -1.074 40.775 42.059 -0.349 0.000 0.899 430 L HN 0.242 nan 8.230 nan 0.000 0.433 431 R N -2.337 118.011 120.500 -0.253 0.000 2.189 431 R HA -0.152 4.188 4.340 -0.000 0.000 0.218 431 R C 1.558 177.645 176.300 -0.355 0.000 1.074 431 R CA 1.537 57.436 56.100 -0.335 0.000 0.991 431 R CB -0.709 29.343 30.300 -0.415 0.000 0.883 431 R HN 0.416 nan 8.270 nan 0.000 0.457 432 Y N 1.207 121.396 120.300 -0.185 0.000 2.462 432 Y HA 0.189 4.739 4.550 -0.000 0.000 0.261 432 Y C 0.271 176.015 175.900 -0.260 0.000 1.146 432 Y CA -0.299 57.693 58.100 -0.181 0.000 1.283 432 Y CB 0.990 39.372 38.460 -0.131 0.000 1.090 432 Y HN -0.048 nan 8.280 nan 0.000 0.526 433 T N 2.881 117.274 114.554 -0.268 0.000 2.729 433 T HA 0.074 4.424 4.350 -0.000 0.000 0.296 433 T C -1.811 172.769 174.700 -0.201 0.000 0.928 433 T CA -1.373 60.530 62.100 -0.328 0.000 1.045 433 T CB 1.185 69.695 68.868 -0.596 0.000 0.902 433 T HN 0.003 nan 8.240 nan 0.000 0.500 434 P HA -0.120 nan 4.420 nan 0.000 0.217 434 P C 1.273 178.471 177.300 -0.169 0.000 1.148 434 P CA 0.707 63.733 63.100 -0.123 0.000 0.828 434 P CB 0.125 31.767 31.700 -0.096 0.000 0.783 435 A N -2.614 120.016 122.820 -0.317 0.000 2.167 435 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 435 A C 0.934 178.112 177.584 -0.677 0.000 1.151 435 A CA 0.989 52.711 52.037 -0.524 0.000 0.735 435 A CB -1.003 17.541 19.000 -0.761 0.000 0.802 435 A HN 0.210 nan 8.150 nan 0.000 0.467 436 Y N -2.367 117.828 120.300 -0.175 0.000 2.563 436 Y HA 0.452 5.002 4.550 0.000 0.000 0.250 436 Y C 2.129 177.767 175.900 -0.436 0.000 1.126 436 Y CA -0.486 57.402 58.100 -0.354 0.000 1.231 436 Y CB -0.392 37.857 38.460 -0.353 0.000 1.288 436 Y HN 0.199 nan 8.280 nan 0.000 0.537 437 A N 0.907 123.622 122.820 -0.175 0.000 1.940 437 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 437 A C 2.078 179.570 177.584 -0.153 0.000 1.176 437 A CA 2.270 54.213 52.037 -0.156 0.000 0.631 437 A CB -1.036 17.911 19.000 -0.088 0.000 0.814 437 A HN 0.695 nan 8.150 nan 0.000 0.446 438 H N -0.475 118.548 119.070 -0.078 0.000 2.456 438 H HA -0.001 4.555 4.556 0.000 0.000 0.296 438 H C 1.575 176.869 175.328 -0.056 0.000 1.079 438 H CA 1.356 57.366 56.048 -0.064 0.000 1.322 438 H CB -0.699 29.028 29.762 -0.057 0.000 1.388 438 H HN 0.465 nan 8.280 nan 0.000 0.538 439 L N 1.348 122.273 121.223 -0.496 0.000 2.551 439 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 439 L C 0.145 176.910 176.870 -0.175 0.000 1.153 439 L CA 0.036 54.697 54.840 -0.298 0.000 0.851 439 L CB 0.207 42.057 42.059 -0.348 0.000 0.959 439 L HN 0.026 nan 8.230 nan 0.000 0.451 440 V N -0.554 119.263 119.914 -0.162 0.000 2.443 440 V HA 0.222 4.342 4.120 -0.000 0.000 0.293 440 V C 0.099 176.134 176.094 -0.098 0.000 1.021 440 V CA -0.765 61.457 62.300 -0.129 0.000 0.848 440 V CB 1.640 33.368 31.823 -0.160 0.000 0.998 440 V HN 0.157 nan 8.190 nan 0.000 0.424 441 T N 3.694 118.206 114.554 -0.070 0.000 2.817 441 T HA 0.453 4.803 4.350 -0.000 0.000 0.293 441 T C -2.130 172.535 174.700 -0.058 0.000 0.964 441 T CA -1.420 60.648 62.100 -0.052 0.000 1.085 441 T CB 0.876 69.723 68.868 -0.034 0.000 0.921 441 T HN 0.556 nan 8.240 nan 0.000 0.502 442 P HA 0.432 nan 4.420 nan 0.000 0.264 442 P C -0.738 176.538 177.300 -0.040 0.000 1.229 442 P CA -0.200 62.867 63.100 -0.055 0.000 0.780 442 P CB 0.098 31.773 31.700 -0.043 0.000 0.808 462 L N 2.121 123.328 121.223 -0.028 0.000 2.483 462 L HA 0.443 4.783 4.340 -0.000 0.000 0.276 462 L C 0.621 177.481 176.870 -0.017 0.000 1.213 462 L CA 0.178 55.006 54.840 -0.021 0.000 0.843 462 L CB -0.285 41.763 42.059 -0.017 0.000 1.107 462 L HN 1.264 nan 8.230 nan 0.000 0.487 463 L N 2.097 123.317 121.223 -0.004 0.000 3.034 463 L HA -0.190 4.150 4.340 -0.000 0.000 0.710 463 L C 0.246 177.127 176.870 0.018 0.000 1.237 463 L CA 0.466 55.314 54.840 0.013 0.000 1.286 463 L CB -1.029 41.031 42.059 0.002 0.000 1.946 463 L HN 0.846 nan 8.230 nan 0.000 0.918 464 S N 1.221 116.940 115.700 0.031 0.000 2.562 464 S HA 0.170 4.640 4.470 -0.000 0.000 0.281 464 S C 1.299 175.941 174.600 0.071 0.000 1.333 464 S CA 0.267 58.489 58.200 0.036 0.000 1.052 464 S CB 1.160 64.379 63.200 0.032 0.000 0.884 464 S HN 0.771 nan 8.310 nan 0.000 0.506 465 D N 3.273 123.709 120.400 0.060 0.000 2.203 465 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 465 D C 1.941 178.331 176.300 0.150 0.000 0.997 465 D CA 2.093 56.155 54.000 0.104 0.000 0.863 465 D CB -0.170 40.666 40.800 0.061 0.000 0.928 465 D HN 0.429 nan 8.370 nan 0.000 0.458 466 S N -1.183 114.570 115.700 0.089 0.000 2.355 466 S HA -0.129 4.341 4.470 -0.000 0.000 0.222 466 S C 1.955 176.589 174.600 0.057 0.000 1.031 466 S CA 0.995 59.233 58.200 0.062 0.000 0.993 466 S CB -0.582 62.639 63.200 0.036 0.000 0.859 466 S HN 0.362 nan 8.310 nan 0.000 0.453 467 L N 0.638 121.901 121.223 0.068 0.000 2.093 467 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 467 L C 2.099 179.009 176.870 0.066 0.000 1.085 467 L CA 1.918 56.791 54.840 0.054 0.000 0.755 467 L CB -0.862 41.229 42.059 0.053 0.000 0.904 467 L HN 0.510 nan 8.230 nan 0.000 0.435 468 F N -0.094 119.844 119.950 -0.019 0.000 2.069 468 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 468 F C 1.975 177.753 175.800 -0.036 0.000 1.113 468 F CA 2.015 59.993 58.000 -0.037 0.000 1.214 468 F CB -0.542 38.433 39.000 -0.041 0.000 0.978 468 F HN 0.023 nan 8.300 nan 0.000 0.474 469 L N 0.175 121.235 121.223 -0.271 0.000 2.131 469 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 469 L C 2.638 179.348 176.870 -0.266 0.000 1.092 469 L CA 1.745 56.367 54.840 -0.364 0.000 0.759 469 L CB -0.777 41.242 42.059 -0.067 0.000 0.903 469 L HN 0.318 nan 8.230 nan 0.000 0.435 470 E N -0.033 120.077 120.200 -0.150 0.000 2.072 470 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 470 E C 2.210 178.748 176.600 -0.104 0.000 0.985 470 E CA 1.328 57.669 56.400 -0.098 0.000 0.801 470 E CB 0.211 29.882 29.700 -0.048 0.000 0.750 470 E HN 0.285 nan 8.360 nan 0.000 0.452 471 V N 1.505 121.353 119.914 -0.111 0.000 2.453 471 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 471 V C 2.505 178.571 176.094 -0.046 0.000 1.048 471 V CA 1.660 63.940 62.300 -0.033 0.000 1.049 471 V CB -0.429 31.409 31.823 0.026 0.000 0.672 471 V HN 0.219 nan 8.190 nan 0.000 0.457 472 K N 0.224 120.427 120.400 -0.329 0.000 2.057 472 K HA -0.259 4.061 4.320 -0.000 0.000 0.207 472 K C 2.119 178.600 176.600 -0.197 0.000 1.049 472 K CA 1.912 57.943 56.287 -0.426 0.000 0.931 472 K CB -0.037 31.920 32.500 -0.905 0.000 0.714 472 K HN 0.377 nan 8.250 nan 0.000 0.440 473 E N 0.623 120.717 120.200 -0.176 0.000 2.204 473 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 473 E C 1.798 178.363 176.600 -0.058 0.000 0.989 473 E CA 0.727 57.070 56.400 -0.095 0.000 0.824 473 E CB 0.059 29.706 29.700 -0.088 0.000 0.756 473 E HN 0.312 nan 8.360 nan 0.000 0.477 474 L N -1.068 120.122 121.223 -0.054 0.000 2.131 474 L HA -0.036 4.304 4.340 -0.000 0.000 0.206 474 L C 1.709 178.493 176.870 -0.144 0.000 1.087 474 L CA 0.555 55.339 54.840 -0.093 0.000 0.767 474 L CB -0.235 41.755 42.059 -0.115 0.000 0.917 474 L HN 0.167 nan 8.230 nan 0.000 0.441 475 F N -0.025 119.833 119.950 -0.154 0.000 2.259 475 F HA -0.138 4.388 4.527 -0.000 0.000 0.298 475 F C 2.255 177.970 175.800 -0.142 0.000 1.088 475 F CA 1.095 58.993 58.000 -0.169 0.000 1.358 475 F CB -0.228 38.646 39.000 -0.210 0.000 1.040 475 F HN -0.077 nan 8.300 nan 0.000 0.505 476 L N -0.757 120.498 121.223 0.053 0.000 2.093 476 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 476 L C 2.698 179.576 176.870 0.012 0.000 1.085 476 L CA 1.073 55.931 54.840 0.029 0.000 0.755 476 L CB -0.935 41.135 42.059 0.019 0.000 0.904 476 L HN 0.124 nan 8.230 nan 0.000 0.435 477 A N 0.029 122.842 122.820 -0.012 0.000 1.933 477 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 477 A C 2.520 180.109 177.584 0.008 0.000 1.175 477 A CA 1.729 53.764 52.037 -0.005 0.000 0.628 477 A CB -0.612 18.374 19.000 -0.025 0.000 0.814 477 A HN 0.415 nan 8.150 nan 0.000 0.444 478 A N -0.531 122.250 122.820 -0.064 0.000 1.877 478 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 478 A C 2.211 179.809 177.584 0.023 0.000 1.186 478 A CA 1.722 53.697 52.037 -0.103 0.000 0.620 478 A CB -0.989 17.678 19.000 -0.555 0.000 0.822 478 A HN 0.401 nan 8.150 nan 0.000 0.443 479 V N 0.176 120.095 119.914 0.008 0.000 2.332 479 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 479 V C 2.545 178.686 176.094 0.079 0.000 1.055 479 V CA 2.320 64.653 62.300 0.054 0.000 1.038 479 V CB -0.818 31.033 31.823 0.047 0.000 0.651 479 V HN 0.528 nan 8.190 nan 0.000 0.450 480 R N -0.876 119.665 120.500 0.068 0.000 2.276 480 R HA 0.074 4.414 4.340 -0.000 0.000 0.203 480 R C 2.186 178.534 176.300 0.081 0.000 1.017 480 R CA 0.452 56.591 56.100 0.065 0.000 1.010 480 R CB -0.266 30.062 30.300 0.048 0.000 0.900 480 R HN 0.421 nan 8.270 nan 0.000 0.469 481 L N 0.566 121.861 121.223 0.121 0.000 1.990 481 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 481 L C 0.551 177.477 176.870 0.094 0.000 1.072 481 L CA 1.384 56.303 54.840 0.132 0.000 0.755 481 L CB 0.028 42.215 42.059 0.214 0.000 0.889 481 L HN 0.056 nan 8.230 nan 0.000 0.432 482 D N -1.349 119.115 120.400 0.106 0.000 2.432 482 D HA 0.167 4.807 4.640 -0.000 0.000 0.265 482 D C -1.797 174.544 176.300 0.068 0.000 1.160 482 D CA -1.942 52.103 54.000 0.074 0.000 0.911 482 D CB 0.994 41.837 40.800 0.071 0.000 1.052 482 D HN -0.021 nan 8.370 nan 0.000 0.508 483 P HA -0.054 nan 4.420 nan 0.000 0.242 483 P C 1.044 178.366 177.300 0.036 0.000 1.197 483 P CA 0.645 63.772 63.100 0.043 0.000 0.765 483 P CB 0.065 31.786 31.700 0.035 0.000 0.936 484 T N -3.552 111.023 114.554 0.036 0.000 3.067 484 T HA 0.092 4.442 4.350 -0.000 0.000 0.257 484 T C 0.790 175.510 174.700 0.033 0.000 1.105 484 T CA 0.221 62.338 62.100 0.030 0.000 1.104 484 T CB -0.443 68.439 68.868 0.024 0.000 0.925 484 T HN 0.223 nan 8.240 nan 0.000 0.498 485 S N 0.138 115.864 115.700 0.043 0.000 2.546 485 S HA 0.678 5.148 4.470 -0.000 0.000 0.274 485 S C -0.927 173.708 174.600 0.058 0.000 1.121 485 S CA -1.133 57.095 58.200 0.046 0.000 0.887 485 S CB 1.229 64.457 63.200 0.047 0.000 1.094 485 S HN 0.293 nan 8.310 nan 0.000 0.474 486 I N 2.570 123.171 120.570 0.051 0.000 2.352 486 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 486 I C -0.154 176.007 176.117 0.074 0.000 1.036 486 I CA -0.207 61.125 61.300 0.054 0.000 1.336 486 I CB 0.701 38.721 38.000 0.033 0.000 1.407 486 I HN 0.674 nan 8.210 nan 0.000 0.497 487 D N 9.629 130.090 120.400 0.101 0.000 2.347 487 D HA 0.199 4.839 4.640 -0.000 0.000 0.235 487 D C -1.743 174.619 176.300 0.104 0.000 1.149 487 D CA -2.314 51.768 54.000 0.138 0.000 0.850 487 D CB 1.718 42.657 40.800 0.231 0.000 1.061 487 D HN 0.169 nan 8.370 nan 0.000 0.487 488 P HA -0.089 nan 4.420 nan 0.000 0.217 488 P C 0.688 178.019 177.300 0.052 0.000 1.150 488 P CA 0.810 63.942 63.100 0.054 0.000 0.832 488 P CB 0.464 32.192 31.700 0.047 0.000 0.787 489 D N -0.780 119.687 120.400 0.112 0.000 2.117 489 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 489 D C 2.075 178.345 176.300 -0.049 0.000 0.982 489 D CA 0.941 54.996 54.000 0.092 0.000 0.828 489 D CB -0.860 40.167 40.800 0.378 0.000 0.967 489 D HN -0.027 nan 8.370 nan 0.000 0.464 490 V N 1.343 121.327 119.914 0.116 0.000 2.343 490 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 490 V C 2.522 178.613 176.094 -0.005 0.000 1.051 490 V CA 1.370 63.727 62.300 0.094 0.000 1.036 490 V CB -0.398 31.453 31.823 0.046 0.000 0.654 490 V HN 0.135 nan 8.190 nan 0.000 0.451 491 Q N -0.706 119.074 119.800 -0.033 0.000 2.061 491 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 491 Q C 2.491 178.346 176.000 -0.242 0.000 0.984 491 Q CA 2.208 57.943 55.803 -0.113 0.000 0.846 491 Q CB -1.391 27.302 28.738 -0.076 0.000 0.902 491 Q HN 0.739 nan 8.270 nan 0.000 0.421 492 C N 0.335 119.542 119.300 -0.155 0.000 2.413 492 C HA -0.092 4.368 4.460 -0.000 0.000 0.276 492 C C 2.784 177.629 174.990 -0.241 0.000 1.236 492 C CA 1.396 60.365 59.018 -0.080 0.000 1.735 492 C CB -1.287 26.464 27.740 0.019 0.000 2.031 492 C HN 0.645 nan 8.230 nan 0.000 0.474 493 G N 0.297 108.856 108.800 -0.402 0.000 2.446 493 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 493 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 493 G C 1.503 175.883 174.900 -0.867 0.000 1.168 493 G CA 1.163 45.877 45.100 -0.644 0.000 0.771 493 G HN 0.543 nan 8.290 nan 0.000 0.551 494 L N 1.532 122.295 121.223 -0.768 0.000 2.141 494 L HA 0.167 4.507 4.340 -0.000 0.000 0.209 494 L C 2.826 179.379 176.870 -0.530 0.000 1.094 494 L CA 1.970 56.383 54.840 -0.712 0.000 0.763 494 L CB -0.847 40.981 42.059 -0.385 0.000 0.908 494 L HN 0.186 nan 8.230 nan 0.000 0.437 495 G N -1.602 106.891 108.800 -0.512 0.000 2.422 495 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 495 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 495 G C 1.527 176.322 174.900 -0.176 0.000 1.140 495 G CA 0.922 45.626 45.100 -0.661 0.000 0.775 495 G HN 0.308 nan 8.290 nan 0.000 0.545 496 V N 0.771 120.626 119.914 -0.099 0.000 2.358 496 V HA -0.074 4.046 4.120 -0.000 0.000 0.246 496 V C 2.870 178.923 176.094 -0.069 0.000 1.047 496 V CA 1.160 63.464 62.300 0.006 0.000 1.035 496 V CB -0.374 31.415 31.823 -0.055 0.000 0.658 496 V HN 0.331 nan 8.190 nan 0.000 0.452 497 L N -1.132 119.939 121.223 -0.253 0.000 2.042 497 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 497 L C 2.365 179.186 176.870 -0.082 0.000 1.076 497 L CA 1.954 56.655 54.840 -0.232 0.000 0.749 497 L CB -0.502 41.233 42.059 -0.541 0.000 0.893 497 L HN 0.284 nan 8.230 nan 0.000 0.432 498 F N -0.620 119.321 119.950 -0.015 0.000 2.407 498 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 498 F C 2.406 178.145 175.800 -0.101 0.000 1.097 498 F CA 0.378 58.351 58.000 -0.046 0.000 1.422 498 F CB -0.229 38.726 39.000 -0.074 0.000 1.067 498 F HN 0.189 nan 8.300 nan 0.000 0.539 499 N N 0.771 119.574 118.700 0.171 0.000 2.080 499 N HA -0.135 4.605 4.740 -0.000 0.000 0.189 499 N C 1.960 177.519 175.510 0.082 0.000 1.036 499 N CA 1.212 54.397 53.050 0.225 0.000 0.846 499 N CB -0.376 38.286 38.487 0.291 0.000 1.015 499 N HN 0.276 nan 8.380 nan 0.000 0.423 500 L N 1.104 122.338 121.223 0.018 0.000 2.043 500 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 500 L C 2.473 179.215 176.870 -0.213 0.000 1.075 500 L CA 1.423 56.229 54.840 -0.056 0.000 0.752 500 L CB -0.593 41.444 42.059 -0.036 0.000 0.891 500 L HN 0.241 nan 8.230 nan 0.000 0.432 501 S N -0.809 114.664 115.700 -0.379 0.000 2.527 501 S HA 0.147 4.617 4.470 -0.000 0.000 0.222 501 S C 1.551 175.906 174.600 -0.408 0.000 0.985 501 S CA 0.320 58.167 58.200 -0.589 0.000 0.921 501 S CB 0.224 62.791 63.200 -1.054 0.000 0.772 501 S HN 0.567 nan 8.310 nan 0.000 0.529 502 G N 1.190 109.716 108.800 -0.457 0.000 2.147 502 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 502 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 502 G C -0.254 174.069 174.900 -0.961 0.000 1.005 502 G CA 0.137 44.731 45.100 -0.842 0.000 0.713 502 G HN 0.624 nan 8.290 nan 0.000 0.515 503 E N 0.012 119.847 120.200 -0.608 0.000 2.282 503 E HA 0.385 4.735 4.350 -0.000 0.000 0.247 503 E C 0.660 177.074 176.600 -0.310 0.000 1.113 503 E CA -0.666 55.509 56.400 -0.375 0.000 1.095 503 E CB 0.045 29.624 29.700 -0.201 0.000 1.328 503 E HN 0.646 nan 8.360 nan 0.000 0.463 504 Y N 0.404 120.688 120.300 -0.027 0.000 2.314 504 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 504 Y C 1.630 177.509 175.900 -0.035 0.000 1.129 504 Y CA 0.467 58.567 58.100 0.001 0.000 1.201 504 Y CB 0.188 38.660 38.460 0.020 0.000 0.999 504 Y HN 0.283 nan 8.280 nan 0.000 0.541 505 D N 0.268 120.692 120.400 0.040 0.000 2.178 505 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 505 D C 1.739 177.971 176.300 -0.114 0.000 0.974 505 D CA 1.212 55.199 54.000 -0.022 0.000 0.841 505 D CB -0.184 40.592 40.800 -0.040 0.000 0.953 505 D HN 0.275 nan 8.370 nan 0.000 0.478 506 K N 0.434 120.674 120.400 -0.268 0.000 2.103 506 K HA 0.072 4.392 4.320 -0.000 0.000 0.204 506 K C 2.063 178.487 176.600 -0.293 0.000 1.052 506 K CA 1.000 56.999 56.287 -0.480 0.000 0.945 506 K CB -0.000 31.800 32.500 -1.166 0.000 0.722 506 K HN 0.038 nan 8.250 nan 0.000 0.443 507 A N 0.861 123.614 122.820 -0.113 0.000 1.930 507 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 507 A C 2.305 179.879 177.584 -0.016 0.000 1.175 507 A CA 1.115 53.158 52.037 0.011 0.000 0.627 507 A CB -0.563 18.560 19.000 0.205 0.000 0.815 507 A HN 0.056 nan 8.150 nan 0.000 0.443 508 V N 0.701 120.659 119.914 0.073 0.000 2.332 508 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 508 V C 2.158 178.261 176.094 0.016 0.000 1.055 508 V CA 2.466 64.823 62.300 0.094 0.000 1.038 508 V CB -0.815 31.047 31.823 0.065 0.000 0.651 508 V HN 0.505 nan 8.190 nan 0.000 0.450 509 D N -0.836 119.536 120.400 -0.048 0.000 2.144 509 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 509 D C 2.145 178.393 176.300 -0.086 0.000 0.984 509 D CA 1.526 55.489 54.000 -0.062 0.000 0.834 509 D CB -0.474 40.276 40.800 -0.082 0.000 0.955 509 D HN 0.447 nan 8.370 nan 0.000 0.465 510 C N -0.159 119.046 119.300 -0.157 0.000 2.432 510 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 510 C C 2.558 177.384 174.990 -0.273 0.000 1.249 510 C CA 0.313 59.178 59.018 -0.256 0.000 1.725 510 C CB -1.298 26.196 27.740 -0.409 0.000 2.028 510 C HN 0.298 nan 8.230 nan 0.000 0.477 511 F N 0.705 120.622 119.950 -0.054 0.000 2.259 511 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 511 F C 2.584 178.278 175.800 -0.176 0.000 1.088 511 F CA 1.301 59.232 58.000 -0.115 0.000 1.358 511 F CB -0.902 38.030 39.000 -0.113 0.000 1.040 511 F HN 0.131 nan 8.300 nan 0.000 0.505 512 T N 0.012 114.570 114.554 0.008 0.000 2.759 512 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 512 T C 2.231 176.890 174.700 -0.069 0.000 1.042 512 T CA 1.304 63.364 62.100 -0.068 0.000 1.140 512 T CB -0.454 68.393 68.868 -0.035 0.000 0.864 512 T HN 0.339 nan 8.240 nan 0.000 0.455 513 A N 1.231 124.022 122.820 -0.049 0.000 1.897 513 A HA 0.334 4.654 4.320 -0.000 0.000 0.215 513 A C 2.647 180.211 177.584 -0.033 0.000 1.181 513 A CA 1.494 53.508 52.037 -0.037 0.000 0.620 513 A CB -1.013 17.968 19.000 -0.032 0.000 0.821 513 A HN 0.482 nan 8.150 nan 0.000 0.443 514 A N -0.111 122.689 122.820 -0.033 0.000 1.902 514 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 514 A C 2.111 179.654 177.584 -0.068 0.000 1.181 514 A CA 1.536 53.560 52.037 -0.022 0.000 0.623 514 A CB -0.628 18.390 19.000 0.030 0.000 0.818 514 A HN 0.459 nan 8.150 nan 0.000 0.443 515 L N 0.623 121.762 121.223 -0.139 0.000 2.201 515 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 515 L C 2.899 179.698 176.870 -0.119 0.000 1.105 515 L CA 1.302 55.999 54.840 -0.239 0.000 0.775 515 L CB -0.322 41.430 42.059 -0.512 0.000 0.913 515 L HN 0.624 nan 8.230 nan 0.000 0.440 516 S N -1.272 114.388 115.700 -0.068 0.000 2.402 516 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 516 S C 1.774 176.374 174.600 -0.002 0.000 1.021 516 S CA 1.012 59.200 58.200 -0.020 0.000 0.974 516 S CB -0.484 62.710 63.200 -0.010 0.000 0.800 516 S HN 0.196 nan 8.310 nan 0.000 0.484 517 V N 1.267 121.178 119.914 -0.006 0.000 2.446 517 V HA 0.174 4.294 4.120 -0.000 0.000 0.244 517 V C 1.307 177.408 176.094 0.012 0.000 1.039 517 V CA 0.887 63.194 62.300 0.011 0.000 1.045 517 V CB -0.586 31.248 31.823 0.019 0.000 0.681 517 V HN 0.417 nan 8.190 nan 0.000 0.459 518 R N 1.004 121.499 120.500 -0.009 0.000 2.724 518 R HA 0.252 4.592 4.340 -0.000 0.000 0.284 518 R C -2.072 174.223 176.300 -0.008 0.000 1.481 518 R CA -1.378 54.720 56.100 -0.003 0.000 1.652 518 R CB 0.901 31.190 30.300 -0.019 0.000 1.175 518 R HN 0.320 nan 8.270 nan 0.000 0.613 519 P HA -0.080 nan 4.420 nan 0.000 0.226 519 P C 0.021 177.505 177.300 0.306 0.000 1.153 519 P CA 0.904 64.085 63.100 0.135 0.000 0.777 519 P CB 0.400 32.191 31.700 0.153 0.000 0.794 520 N N -0.226 118.598 118.700 0.206 0.000 2.235 520 N HA 0.021 4.761 4.740 -0.000 0.000 0.209 520 N C 0.039 175.679 175.510 0.217 0.000 1.122 520 N CA 0.131 53.320 53.050 0.231 0.000 0.845 520 N CB -0.040 38.535 38.487 0.147 0.000 1.004 520 N HN 0.110 nan 8.380 nan 0.000 0.499 521 D N 0.821 121.313 120.400 0.153 0.000 2.365 521 D HA -0.020 4.620 4.640 -0.000 0.000 0.237 521 D C 1.043 177.396 176.300 0.088 0.000 1.190 521 D CA -0.556 53.453 54.000 0.015 0.000 0.867 521 D CB 0.517 41.260 40.800 -0.094 0.000 1.050 521 D HN 0.271 nan 8.370 nan 0.000 0.491 522 Y N 2.830 123.175 120.300 0.075 0.000 2.439 522 Y HA 0.031 4.581 4.550 -0.000 0.000 0.292 522 Y C 1.522 177.352 175.900 -0.116 0.000 1.130 522 Y CA 0.436 58.562 58.100 0.044 0.000 1.254 522 Y CB -0.458 37.940 38.460 -0.103 0.000 1.000 522 Y HN 0.302 nan 8.280 nan 0.000 0.554 523 L N -0.008 120.866 121.223 -0.582 0.000 2.131 523 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 523 L C 2.355 179.095 176.870 -0.216 0.000 1.087 523 L CA 0.766 55.347 54.840 -0.430 0.000 0.767 523 L CB -0.437 41.342 42.059 -0.465 0.000 0.917 523 L HN 0.285 nan 8.230 nan 0.000 0.441 524 L N -1.713 119.372 121.223 -0.230 0.000 2.093 524 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 524 L C 2.374 179.073 176.870 -0.285 0.000 1.085 524 L CA 1.493 56.164 54.840 -0.282 0.000 0.755 524 L CB -0.446 41.438 42.059 -0.292 0.000 0.904 524 L HN 0.330 nan 8.230 nan 0.000 0.435 525 W N 0.350 121.598 121.300 -0.085 0.000 2.358 525 W HA -0.201 4.459 4.660 -0.000 0.000 0.303 525 W C 2.571 179.076 176.519 -0.024 0.000 1.208 525 W CA 1.277 58.599 57.345 -0.039 0.000 1.274 525 W CB -0.360 29.109 29.460 0.014 0.000 1.138 525 W HN 0.219 nan 8.180 nan 0.000 0.515 526 N N 0.660 119.522 118.700 0.270 0.000 2.069 526 N HA -0.196 4.544 4.740 -0.000 0.000 0.191 526 N C 1.550 177.115 175.510 0.093 0.000 1.031 526 N CA 1.891 55.130 53.050 0.314 0.000 0.852 526 N CB -0.194 38.571 38.487 0.463 0.000 1.018 526 N HN -0.006 nan 8.380 nan 0.000 0.423 527 K N -0.295 119.999 120.400 -0.176 0.000 2.026 527 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 527 K C 1.931 178.179 176.600 -0.586 0.000 1.048 527 K CA 1.222 57.170 56.287 -0.565 0.000 0.929 527 K CB -0.357 31.453 32.500 -1.149 0.000 0.713 527 K HN 0.184 nan 8.250 nan 0.000 0.439 528 L N 0.812 121.786 121.223 -0.416 0.000 2.042 528 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 528 L C 2.108 178.925 176.870 -0.089 0.000 1.076 528 L CA 2.058 56.828 54.840 -0.116 0.000 0.749 528 L CB -0.888 41.128 42.059 -0.071 0.000 0.893 528 L HN 0.207 nan 8.230 nan 0.000 0.432 529 G N -1.032 107.676 108.800 -0.153 0.000 2.446 529 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 529 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 529 G C 1.595 176.290 174.900 -0.341 0.000 1.168 529 G CA 0.811 45.615 45.100 -0.493 0.000 0.771 529 G HN 0.631 nan 8.290 nan 0.000 0.551 530 A N -0.018 122.809 122.820 0.012 0.000 1.972 530 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 530 A C 2.507 180.094 177.584 0.006 0.000 1.169 530 A CA 2.364 54.474 52.037 0.123 0.000 0.635 530 A CB -0.722 18.367 19.000 0.150 0.000 0.810 530 A HN 0.309 nan 8.150 nan 0.000 0.446 531 T N 0.211 114.772 114.554 0.011 0.000 2.857 531 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 531 T C 1.774 176.461 174.700 -0.021 0.000 1.048 531 T CA 1.256 63.397 62.100 0.068 0.000 1.139 531 T CB -0.289 68.740 68.868 0.269 0.000 0.874 531 T HN 0.356 nan 8.240 nan 0.000 0.455 532 L N 0.718 121.918 121.223 -0.039 0.000 2.093 532 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 532 L C 2.944 179.758 176.870 -0.094 0.000 1.085 532 L CA 1.079 55.884 54.840 -0.059 0.000 0.755 532 L CB -0.515 41.496 42.059 -0.080 0.000 0.904 532 L HN 0.234 nan 8.230 nan 0.000 0.435 533 A N -0.200 122.557 122.820 -0.106 0.000 1.929 533 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 533 A C 2.030 179.527 177.584 -0.145 0.000 1.176 533 A CA 1.437 53.431 52.037 -0.072 0.000 0.628 533 A CB -0.447 18.573 19.000 0.034 0.000 0.816 533 A HN 0.391 nan 8.150 nan 0.000 0.444 534 N N 0.443 118.975 118.700 -0.280 0.000 2.120 534 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 534 N C 1.626 176.765 175.510 -0.619 0.000 1.024 534 N CA 1.485 54.152 53.050 -0.637 0.000 0.852 534 N CB -0.624 37.136 38.487 -1.213 0.000 1.003 534 N HN 0.452 nan 8.380 nan 0.000 0.424 535 G N -0.269 108.326 108.800 -0.342 0.000 3.124 535 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 535 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 535 G C 0.201 175.091 174.900 -0.018 0.000 1.181 535 G CA -0.244 44.831 45.100 -0.041 0.000 0.803 535 G HN 0.424 nan 8.290 nan 0.000 0.529 536 N N -0.695 117.970 118.700 -0.058 0.000 2.741 536 N HA -0.151 4.589 4.740 -0.000 0.000 0.250 536 N C -0.029 175.469 175.510 -0.019 0.000 1.115 536 N CA 0.343 53.376 53.050 -0.028 0.000 0.724 536 N CB -0.419 38.065 38.487 -0.005 0.000 1.090 536 N HN 0.507 nan 8.380 nan 0.000 0.558 537 Q N 0.110 119.893 119.800 -0.028 0.000 3.008 537 Q HA 0.195 4.535 4.340 -0.000 0.000 0.307 537 Q C 0.723 176.702 176.000 -0.035 0.000 1.273 537 Q CA -0.157 55.631 55.803 -0.023 0.000 1.091 537 Q CB 1.243 29.971 28.738 -0.018 0.000 1.393 537 Q HN 0.155 nan 8.270 nan 0.000 0.521 538 S N 1.506 117.191 115.700 -0.025 0.000 2.382 538 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 538 S C 1.665 176.254 174.600 -0.019 0.000 1.027 538 S CA 1.580 59.769 58.200 -0.019 0.000 0.991 538 S CB 0.290 63.484 63.200 -0.009 0.000 0.823 538 S HN 0.599 nan 8.310 nan 0.000 0.469 539 E N 0.437 120.626 120.200 -0.019 0.000 2.046 539 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 539 E C 1.890 178.472 176.600 -0.030 0.000 0.982 539 E CA 1.359 57.749 56.400 -0.017 0.000 0.800 539 E CB -0.089 29.604 29.700 -0.012 0.000 0.756 539 E HN 0.496 nan 8.360 nan 0.000 0.449 540 E N 0.069 120.249 120.200 -0.033 0.000 2.110 540 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 540 E C 1.812 178.359 176.600 -0.088 0.000 0.988 540 E CA 1.180 57.558 56.400 -0.036 0.000 0.804 540 E CB -0.229 29.461 29.700 -0.016 0.000 0.745 540 E HN 0.369 nan 8.360 nan 0.000 0.458 541 A N 0.456 123.190 122.820 -0.145 0.000 1.873 541 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 541 A C 2.471 179.761 177.584 -0.489 0.000 1.186 541 A CA 1.362 53.188 52.037 -0.352 0.000 0.616 541 A CB -0.783 18.046 19.000 -0.285 0.000 0.823 541 A HN 0.146 nan 8.150 nan 0.000 0.442 542 V N 0.028 119.855 119.914 -0.144 0.000 2.287 542 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 542 V C 3.062 179.157 176.094 0.001 0.000 1.053 542 V CA 2.057 64.387 62.300 0.050 0.000 1.027 542 V CB -1.285 30.576 31.823 0.063 0.000 0.646 542 V HN 0.623 nan 8.190 nan 0.000 0.447 543 A N -0.201 122.590 122.820 -0.050 0.000 1.933 543 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 543 A C 2.387 179.911 177.584 -0.099 0.000 1.175 543 A CA 2.123 54.122 52.037 -0.062 0.000 0.628 543 A CB -0.666 18.302 19.000 -0.054 0.000 0.814 543 A HN 0.589 nan 8.150 nan 0.000 0.444 544 A N -1.410 121.359 122.820 -0.085 0.000 1.929 544 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 544 A C 2.040 179.652 177.584 0.047 0.000 1.176 544 A CA 1.360 53.406 52.037 0.016 0.000 0.628 544 A CB -0.716 18.350 19.000 0.110 0.000 0.816 544 A HN 0.519 nan 8.150 nan 0.000 0.444 545 Y N 0.188 120.518 120.300 0.049 0.000 2.181 545 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 545 Y C 2.566 178.459 175.900 -0.011 0.000 1.146 545 Y CA 1.271 59.393 58.100 0.036 0.000 1.164 545 Y CB -0.394 38.057 38.460 -0.015 0.000 0.982 545 Y HN 0.179 nan 8.280 nan 0.000 0.515 546 R N -0.044 120.514 120.500 0.097 0.000 2.148 546 R HA -0.098 4.242 4.340 -0.000 0.000 0.227 546 R C 2.265 178.515 176.300 -0.084 0.000 1.103 546 R CA 0.908 57.009 56.100 0.002 0.000 0.983 546 R CB -0.452 29.834 30.300 -0.023 0.000 0.874 546 R HN 0.251 nan 8.270 nan 0.000 0.451 547 R N 0.719 121.102 120.500 -0.195 0.000 2.115 547 R HA 0.044 4.384 4.340 -0.000 0.000 0.226 547 R C 1.971 178.095 176.300 -0.292 0.000 1.100 547 R CA 1.360 57.200 56.100 -0.433 0.000 0.980 547 R CB -0.267 29.428 30.300 -1.007 0.000 0.875 547 R HN 0.174 nan 8.270 nan 0.000 0.445 548 A N 0.236 123.032 122.820 -0.040 0.000 1.897 548 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 548 A C 1.971 179.600 177.584 0.075 0.000 1.181 548 A CA 1.031 53.156 52.037 0.147 0.000 0.620 548 A CB -0.429 18.768 19.000 0.329 0.000 0.821 548 A HN 0.332 nan 8.150 nan 0.000 0.443 549 L N -0.753 120.509 121.223 0.065 0.000 2.552 549 L HA -0.033 4.307 4.340 -0.000 0.000 0.227 549 L C 2.316 179.168 176.870 -0.030 0.000 1.146 549 L CA 0.916 55.771 54.840 0.025 0.000 0.858 549 L CB -0.175 41.905 42.059 0.034 0.000 0.969 549 L HN 0.581 nan 8.230 nan 0.000 0.451 550 E N 0.503 120.670 120.200 -0.056 0.000 2.075 550 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 550 E C 2.302 178.863 176.600 -0.065 0.000 0.969 550 E CA 0.360 56.719 56.400 -0.069 0.000 0.815 550 E CB 0.172 29.812 29.700 -0.100 0.000 0.776 550 E HN 0.410 nan 8.360 nan 0.000 0.457 551 L N 0.098 121.285 121.223 -0.060 0.000 2.131 551 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 551 L C 0.945 177.748 176.870 -0.113 0.000 1.092 551 L CA 0.791 55.616 54.840 -0.025 0.000 0.759 551 L CB 0.224 42.336 42.059 0.089 0.000 0.903 551 L HN 0.104 nan 8.230 nan 0.000 0.435 552 Q N -1.446 118.229 119.800 -0.209 0.000 3.258 552 Q HA 0.209 4.549 4.340 -0.000 0.000 0.214 552 Q C -2.186 173.709 176.000 -0.175 0.000 0.873 552 Q CA -1.433 54.165 55.803 -0.342 0.000 0.752 552 Q CB 1.163 29.310 28.738 -0.986 0.000 1.396 552 Q HN -0.186 nan 8.270 nan 0.000 0.463 553 P HA -0.053 nan 4.420 nan 0.000 0.223 553 P C 0.823 178.105 177.300 -0.029 0.000 1.144 553 P CA 1.399 64.472 63.100 -0.044 0.000 0.783 553 P CB 0.348 32.024 31.700 -0.039 0.000 0.771 554 G N -2.533 106.239 108.800 -0.047 0.000 2.985 554 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.209 554 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.209 554 G C -0.164 174.758 174.900 0.037 0.000 1.165 554 G CA -0.095 44.994 45.100 -0.018 0.000 0.776 554 G HN 0.198 nan 8.290 nan 0.000 0.541 555 Y N 2.360 122.585 120.300 -0.126 0.000 2.584 555 Y HA 0.208 4.758 4.550 -0.000 0.000 0.351 555 Y C 1.310 177.207 175.900 -0.006 0.000 1.030 555 Y CA -1.655 56.411 58.100 -0.058 0.000 1.332 555 Y CB 0.389 38.812 38.460 -0.062 0.000 1.148 555 Y HN -0.053 nan 8.280 nan 0.000 0.528 556 I N 4.650 125.075 120.570 -0.241 0.000 2.353 556 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 556 I C 2.292 178.223 176.117 -0.310 0.000 1.119 556 I CA 0.990 62.163 61.300 -0.212 0.000 1.417 556 I CB -0.809 37.108 38.000 -0.138 0.000 1.078 556 I HN 0.569 nan 8.210 nan 0.000 0.421 557 R N 1.259 121.381 120.500 -0.629 0.000 2.096 557 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 557 R C 2.450 178.566 176.300 -0.306 0.000 1.139 557 R CA 2.106 57.901 56.100 -0.510 0.000 0.952 557 R CB -0.571 29.291 30.300 -0.730 0.000 0.854 557 R HN 0.148 nan 8.270 nan 0.000 0.436 558 S N -0.371 115.130 115.700 -0.332 0.000 2.423 558 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 558 S C 1.808 176.235 174.600 -0.289 0.000 1.014 558 S CA 1.108 59.228 58.200 -0.134 0.000 0.965 558 S CB -0.214 63.128 63.200 0.236 0.000 0.785 558 S HN 0.347 nan 8.310 nan 0.000 0.495 559 R N -0.636 119.751 120.500 -0.188 0.000 2.119 559 R HA -0.044 4.296 4.340 -0.000 0.000 0.222 559 R C 2.134 178.331 176.300 -0.172 0.000 1.088 559 R CA 0.939 56.923 56.100 -0.193 0.000 0.984 559 R CB -0.292 29.960 30.300 -0.080 0.000 0.884 559 R HN 0.503 nan 8.270 nan 0.000 0.447 560 Y N 1.460 121.664 120.300 -0.160 0.000 2.145 560 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 560 Y C 1.712 177.570 175.900 -0.070 0.000 1.145 560 Y CA 1.779 59.893 58.100 0.023 0.000 1.148 560 Y CB -0.239 38.207 38.460 -0.024 0.000 0.981 560 Y HN 0.097 nan 8.280 nan 0.000 0.507 561 N N 0.276 118.795 118.700 -0.303 0.000 2.223 561 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 561 N C 1.733 176.820 175.510 -0.704 0.000 1.016 561 N CA 1.112 53.833 53.050 -0.549 0.000 0.863 561 N CB -0.517 37.501 38.487 -0.782 0.000 0.983 561 N HN 0.327 nan 8.380 nan 0.000 0.429 562 L N 0.836 121.595 121.223 -0.773 0.000 2.046 562 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 562 L C 2.227 178.723 176.870 -0.624 0.000 1.077 562 L CA 1.523 55.925 54.840 -0.730 0.000 0.747 562 L CB -1.338 40.114 42.059 -1.011 0.000 0.896 562 L HN 0.160 nan 8.230 nan 0.000 0.432 563 G N -0.480 107.905 108.800 -0.693 0.000 2.440 563 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 563 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 563 G C 1.546 176.185 174.900 -0.436 0.000 1.154 563 G CA 0.797 45.402 45.100 -0.825 0.000 0.767 563 G HN 0.299 nan 8.290 nan 0.000 0.552 564 I N 1.574 121.949 120.570 -0.325 0.000 2.226 564 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 564 I C 2.904 178.961 176.117 -0.100 0.000 1.100 564 I CA 1.164 62.364 61.300 -0.167 0.000 1.374 564 I CB -1.164 36.712 38.000 -0.207 0.000 1.057 564 I HN 0.103 nan 8.210 nan 0.000 0.413 565 S N 0.093 115.727 115.700 -0.110 0.000 2.382 565 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 565 S C 2.260 176.831 174.600 -0.049 0.000 1.027 565 S CA 1.370 59.549 58.200 -0.035 0.000 0.991 565 S CB -0.401 62.815 63.200 0.027 0.000 0.823 565 S HN 0.464 nan 8.310 nan 0.000 0.469 566 C N 1.353 120.604 119.300 -0.082 0.000 2.429 566 C HA 0.005 4.465 4.460 -0.000 0.000 0.277 566 C C 2.439 177.387 174.990 -0.070 0.000 1.262 566 C CA 0.244 59.219 59.018 -0.072 0.000 1.733 566 C CB -1.340 26.361 27.740 -0.066 0.000 2.010 566 C HN 0.554 nan 8.230 nan 0.000 0.483 567 I N 1.515 122.071 120.570 -0.023 0.000 2.127 567 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 567 I C 2.187 178.333 176.117 0.050 0.000 1.075 567 I CA 1.581 62.935 61.300 0.091 0.000 1.334 567 I CB -0.635 37.442 38.000 0.129 0.000 1.040 567 I HN 0.400 nan 8.210 nan 0.000 0.405 568 N N 0.828 119.536 118.700 0.014 0.000 2.137 568 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 568 N C 1.828 177.328 175.510 -0.016 0.000 1.017 568 N CA 1.492 54.548 53.050 0.009 0.000 0.859 568 N CB -0.395 38.092 38.487 -0.000 0.000 1.002 568 N HN 0.359 nan 8.380 nan 0.000 0.428 569 L N -0.666 120.527 121.223 -0.051 0.000 2.168 569 L HA 0.186 4.526 4.340 -0.000 0.000 0.203 569 L C 0.824 177.591 176.870 -0.171 0.000 1.078 569 L CA 0.345 55.138 54.840 -0.079 0.000 0.780 569 L CB -0.567 41.451 42.059 -0.067 0.000 0.939 569 L HN 0.163 nan 8.230 nan 0.000 0.451 570 G N 0.718 109.350 108.800 -0.280 0.000 2.331 570 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.254 570 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.254 570 G C 0.787 175.345 174.900 -0.569 0.000 0.879 570 G CA 0.368 45.027 45.100 -0.736 0.000 1.287 570 G HN 0.835 nan 8.290 nan 0.000 0.383 571 A N 0.131 122.775 122.820 -0.293 0.000 2.790 571 A HA -0.315 4.005 4.320 -0.000 0.000 0.277 571 A C 1.405 178.897 177.584 -0.154 0.000 1.435 571 A CA 2.670 54.594 52.037 -0.188 0.000 0.877 571 A CB -2.169 16.749 19.000 -0.137 0.000 1.007 571 A HN 1.588 nan 8.150 nan 0.000 0.613 572 H N -1.241 117.832 119.070 0.004 0.000 2.389 572 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 572 H C 2.226 177.558 175.328 0.007 0.000 1.081 572 H CA 1.535 57.593 56.048 0.016 0.000 1.345 572 H CB -0.003 29.792 29.762 0.056 0.000 1.393 572 H HN 0.686 nan 8.280 nan 0.000 0.520 573 R N 1.394 121.981 120.500 0.144 0.000 2.070 573 R HA -0.159 4.181 4.340 -0.000 0.000 0.233 573 R C 1.843 178.120 176.300 -0.038 0.000 1.137 573 R CA 1.800 57.971 56.100 0.119 0.000 0.945 573 R CB -0.013 30.384 30.300 0.161 0.000 0.845 573 R HN 0.424 nan 8.270 nan 0.000 0.430 574 E N -0.046 120.105 120.200 -0.081 0.000 2.130 574 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 574 E C 1.948 178.372 176.600 -0.294 0.000 0.998 574 E CA 1.294 57.573 56.400 -0.202 0.000 0.806 574 E CB -0.158 29.449 29.700 -0.156 0.000 0.738 574 E HN 0.527 nan 8.360 nan 0.000 0.459 575 A N 1.014 123.710 122.820 -0.207 0.000 1.858 575 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 575 A C 2.548 179.825 177.584 -0.512 0.000 1.190 575 A CA 1.244 53.064 52.037 -0.362 0.000 0.617 575 A CB -0.771 18.117 19.000 -0.186 0.000 0.827 575 A HN 0.120 nan 8.150 nan 0.000 0.443 576 V N 0.268 120.038 119.914 -0.240 0.000 2.324 576 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 576 V C 2.438 178.330 176.094 -0.336 0.000 1.060 576 V CA 2.484 64.639 62.300 -0.241 0.000 1.042 576 V CB -0.913 30.630 31.823 -0.467 0.000 0.650 576 V HN 0.659 nan 8.190 nan 0.000 0.450 577 E N -1.213 118.771 120.200 -0.360 0.000 2.077 577 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 577 E C 2.270 178.697 176.600 -0.290 0.000 0.989 577 E CA 1.303 57.516 56.400 -0.311 0.000 0.800 577 E CB -0.196 29.325 29.700 -0.299 0.000 0.746 577 E HN 0.662 nan 8.360 nan 0.000 0.452 578 H N -0.428 118.448 119.070 -0.323 0.000 2.321 578 H HA -0.116 4.439 4.556 -0.000 0.000 0.300 578 H C 2.031 177.218 175.328 -0.235 0.000 1.087 578 H CA 1.152 56.999 56.048 -0.335 0.000 1.319 578 H CB -0.273 29.186 29.762 -0.504 0.000 1.379 578 H HN 0.170 nan 8.280 nan 0.000 0.501 579 F N 0.672 120.589 119.950 -0.054 0.000 2.146 579 F HA -0.115 4.412 4.527 0.000 0.000 0.298 579 F C 2.737 178.409 175.800 -0.213 0.000 1.096 579 F CA 0.495 58.419 58.000 -0.127 0.000 1.275 579 F CB -1.124 37.791 39.000 -0.142 0.000 1.008 579 F HN 0.027 nan 8.300 nan 0.000 0.480 580 L N -0.295 120.897 121.223 -0.052 0.000 2.046 580 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 580 L C 2.352 179.159 176.870 -0.104 0.000 1.077 580 L CA 1.542 56.298 54.840 -0.140 0.000 0.747 580 L CB -0.735 41.236 42.059 -0.147 0.000 0.896 580 L HN 0.173 nan 8.230 nan 0.000 0.432 581 E N 0.108 120.265 120.200 -0.071 0.000 2.077 581 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 581 E C 2.304 178.880 176.600 -0.040 0.000 0.989 581 E CA 1.172 57.544 56.400 -0.046 0.000 0.800 581 E CB -0.172 29.509 29.700 -0.032 0.000 0.746 581 E HN 0.499 nan 8.360 nan 0.000 0.452 582 A N 1.138 123.942 122.820 -0.027 0.000 1.902 582 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 582 A C 2.193 179.727 177.584 -0.084 0.000 1.181 582 A CA 1.118 53.135 52.037 -0.033 0.000 0.623 582 A CB -0.665 18.343 19.000 0.014 0.000 0.818 582 A HN 0.137 nan 8.150 nan 0.000 0.443 583 L N -0.549 120.582 121.223 -0.153 0.000 2.046 583 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 583 L C 2.527 179.324 176.870 -0.120 0.000 1.077 583 L CA 1.574 56.270 54.840 -0.241 0.000 0.747 583 L CB -0.517 41.233 42.059 -0.515 0.000 0.896 583 L HN 0.454 nan 8.230 nan 0.000 0.432 584 N N 0.033 118.682 118.700 -0.084 0.000 2.142 584 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 584 N C 1.911 177.408 175.510 -0.021 0.000 1.023 584 N CA 1.334 54.364 53.050 -0.033 0.000 0.852 584 N CB -0.062 38.411 38.487 -0.024 0.000 0.998 584 N HN 0.156 nan 8.380 nan 0.000 0.424 585 M N 0.233 119.815 119.600 -0.029 0.000 2.080 585 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 585 M C 1.970 178.261 176.300 -0.016 0.000 1.068 585 M CA 1.649 56.936 55.300 -0.021 0.000 1.109 585 M CB -0.128 32.457 32.600 -0.024 0.000 1.342 585 M HN 0.277 nan 8.290 nan 0.000 0.405 586 Q N -0.965 118.821 119.800 -0.022 0.000 2.046 586 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 586 Q C 2.109 178.115 176.000 0.010 0.000 0.975 586 Q CA 1.454 57.252 55.803 -0.008 0.000 0.836 586 Q CB -0.317 28.412 28.738 -0.016 0.000 0.896 586 Q HN 0.479 nan 8.270 nan 0.000 0.428 587 R N 1.514 122.024 120.500 0.017 0.000 2.091 587 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 587 R C 0.194 176.510 176.300 0.026 0.000 1.136 587 R CA 0.883 57.006 56.100 0.038 0.000 0.959 587 R CB 0.083 30.416 30.300 0.056 0.000 0.856 587 R HN -0.015 nan 8.270 nan 0.000 0.437 588 K N 1.015 121.424 120.400 0.014 0.000 2.419 588 K HA 0.010 4.330 4.320 -0.000 0.000 0.282 588 K C -0.659 175.943 176.600 0.004 0.000 1.056 588 K CA 0.287 56.579 56.287 0.008 0.000 1.035 588 K CB 0.894 33.395 32.500 0.002 0.000 0.921 588 K HN 0.089 nan 8.250 nan 0.000 0.472 598 A N 0.952 123.808 122.820 0.061 0.000 2.445 598 A HA 0.725 5.045 4.320 -0.000 0.000 0.242 598 A C 0.340 177.975 177.584 0.085 0.000 1.075 598 A CA 0.480 52.565 52.037 0.079 0.000 0.777 598 A CB 0.189 19.233 19.000 0.074 0.000 1.013 598 A HN 0.352 nan 8.150 nan 0.000 0.493 599 M N 1.469 121.151 119.600 0.138 0.000 2.423 599 M HA 0.268 4.748 4.480 -0.000 0.000 0.335 599 M C 0.275 176.663 176.300 0.147 0.000 1.177 599 M CA -0.092 55.291 55.300 0.137 0.000 1.038 599 M CB 1.800 34.561 32.600 0.269 0.000 1.641 599 M HN 0.651 nan 8.290 nan 0.000 0.455 600 S N 1.751 117.473 115.700 0.036 0.000 2.531 600 S HA 0.055 4.525 4.470 -0.000 0.000 0.279 600 S C 0.937 175.591 174.600 0.090 0.000 1.305 600 S CA -0.518 57.689 58.200 0.011 0.000 1.058 600 S CB 0.683 63.825 63.200 -0.095 0.000 0.899 600 S HN 0.586 nan 8.310 nan 0.000 0.493 601 E N 2.809 123.061 120.200 0.087 0.000 2.152 601 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 601 E C 1.700 178.324 176.600 0.040 0.000 0.983 601 E CA 0.728 57.200 56.400 0.121 0.000 0.818 601 E CB -0.220 29.506 29.700 0.043 0.000 0.758 601 E HN 0.721 nan 8.360 nan 0.000 0.467 602 N N 0.321 118.971 118.700 -0.083 0.000 2.120 602 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 602 N C 1.984 177.367 175.510 -0.211 0.000 1.024 602 N CA 0.727 53.672 53.050 -0.175 0.000 0.852 602 N CB 0.047 38.345 38.487 -0.315 0.000 1.003 602 N HN 0.052 nan 8.380 nan 0.000 0.424 603 I N -0.550 119.865 120.570 -0.258 0.000 2.142 603 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 603 I C 1.714 177.666 176.117 -0.275 0.000 1.078 603 I CA 1.168 62.299 61.300 -0.281 0.000 1.343 603 I CB -0.463 37.389 38.000 -0.247 0.000 1.046 603 I HN 0.336 nan 8.210 nan 0.000 0.405 604 W N 1.395 122.602 121.300 -0.156 0.000 2.321 604 W HA -0.285 4.375 4.660 -0.000 0.000 0.306 604 W C 3.128 179.569 176.519 -0.130 0.000 1.217 604 W CA 1.667 58.943 57.345 -0.115 0.000 1.257 604 W CB -0.319 29.096 29.460 -0.074 0.000 1.145 604 W HN 0.244 nan 8.180 nan 0.000 0.509 605 S N -1.640 114.123 115.700 0.105 0.000 2.395 605 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 605 S C 1.547 176.123 174.600 -0.040 0.000 1.027 605 S CA 1.514 59.730 58.200 0.028 0.000 0.965 605 S CB -0.862 62.341 63.200 0.005 0.000 0.812 605 S HN 0.114 nan 8.310 nan 0.000 0.482 606 T N 2.909 117.392 114.554 -0.118 0.000 2.821 606 T HA 0.087 4.437 4.350 -0.000 0.000 0.267 606 T C 1.652 176.191 174.700 -0.269 0.000 1.046 606 T CA 1.178 63.160 62.100 -0.196 0.000 1.139 606 T CB -0.555 68.166 68.868 -0.245 0.000 0.871 606 T HN 0.327 nan 8.240 nan 0.000 0.454 607 L N 1.347 122.349 121.223 -0.369 0.000 2.042 607 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 607 L C 2.478 179.376 176.870 0.046 0.000 1.076 607 L CA 1.740 56.522 54.840 -0.096 0.000 0.749 607 L CB -0.379 41.638 42.059 -0.070 0.000 0.893 607 L HN -0.026 nan 8.230 nan 0.000 0.432 608 R N -0.396 120.131 120.500 0.045 0.000 2.096 608 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 608 R C 2.246 178.522 176.300 -0.039 0.000 1.127 608 R CA 1.848 57.966 56.100 0.029 0.000 0.968 608 R CB -0.730 29.578 30.300 0.012 0.000 0.861 608 R HN 0.461 nan 8.270 nan 0.000 0.440 609 L N -0.224 120.976 121.223 -0.038 0.000 1.994 609 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 609 L C 2.679 179.531 176.870 -0.030 0.000 1.071 609 L CA 1.516 56.327 54.840 -0.049 0.000 0.745 609 L CB -0.711 41.330 42.059 -0.030 0.000 0.892 609 L HN 0.142 nan 8.230 nan 0.000 0.431 610 A N -0.037 122.805 122.820 0.037 0.000 1.978 610 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 610 A C 2.297 179.921 177.584 0.067 0.000 1.170 610 A CA 1.402 53.482 52.037 0.071 0.000 0.636 610 A CB -0.715 18.427 19.000 0.236 0.000 0.810 610 A HN 0.367 nan 8.150 nan 0.000 0.448 611 L N -0.793 120.502 121.223 0.119 0.000 2.046 611 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 611 L C 2.855 179.910 176.870 0.308 0.000 1.077 611 L CA 1.543 56.532 54.840 0.248 0.000 0.747 611 L CB -0.390 41.864 42.059 0.325 0.000 0.896 611 L HN 0.349 nan 8.230 nan 0.000 0.432 612 S N -0.559 115.182 115.700 0.069 0.000 2.383 612 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 612 S C 1.944 176.558 174.600 0.023 0.000 1.026 612 S CA 1.232 59.443 58.200 0.019 0.000 0.981 612 S CB -0.120 62.966 63.200 -0.191 0.000 0.818 612 S HN 0.318 nan 8.310 nan 0.000 0.472 613 M N 0.421 119.952 119.600 -0.115 0.000 2.279 613 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 613 M C 2.029 178.176 176.300 -0.255 0.000 1.062 613 M CA 0.875 55.966 55.300 -0.347 0.000 1.099 613 M CB -0.383 31.718 32.600 -0.831 0.000 1.394 613 M HN 0.251 nan 8.290 nan 0.000 0.426 614 L N 0.146 121.351 121.223 -0.031 0.000 1.994 614 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 614 L C 1.095 178.044 176.870 0.132 0.000 1.071 614 L CA 1.606 56.529 54.840 0.139 0.000 0.745 614 L CB -0.940 41.255 42.059 0.226 0.000 0.892 614 L HN 0.172 nan 8.230 nan 0.000 0.431 615 G N -0.115 108.754 108.800 0.116 0.000 2.588 615 G HA2 0.365 4.325 3.960 -0.000 0.000 0.312 615 G HA3 0.365 4.325 3.960 -0.000 0.000 0.312 615 G C -0.727 174.241 174.900 0.113 0.000 1.257 615 G CA -0.356 44.850 45.100 0.176 0.000 0.994 615 G HN 0.212 nan 8.290 nan 0.000 0.498 616 Q N 2.348 122.216 119.800 0.113 0.000 2.423 616 Q HA 0.247 4.587 4.340 -0.000 0.000 0.235 616 Q C 1.294 177.021 176.000 -0.455 0.000 1.100 616 Q CA -0.339 55.424 55.803 -0.067 0.000 0.908 616 Q CB 0.501 29.264 28.738 0.042 0.000 1.312 616 Q HN 0.535 nan 8.270 nan 0.000 0.497 617 S N 2.493 117.778 115.700 -0.692 0.000 2.368 617 S HA -0.155 4.315 4.470 -0.000 0.000 0.225 617 S C 0.958 175.120 174.600 -0.731 0.000 1.030 617 S CA 1.519 58.980 58.200 -1.232 0.000 0.999 617 S CB -0.008 62.870 63.200 -0.536 0.000 0.844 617 S HN 0.825 nan 8.310 nan 0.000 0.459 618 D N 1.369 121.557 120.400 -0.353 0.000 2.392 618 D HA 0.057 4.697 4.640 -0.000 0.000 0.228 618 D C 1.230 177.475 176.300 -0.092 0.000 1.003 618 D CA 0.708 54.603 54.000 -0.175 0.000 0.917 618 D CB -0.064 40.661 40.800 -0.126 0.000 0.890 618 D HN 0.462 nan 8.370 nan 0.000 0.532 619 A N -0.297 122.474 122.820 -0.082 0.000 2.229 619 A HA 0.077 4.397 4.320 -0.000 0.000 0.211 619 A C 1.399 179.130 177.584 0.245 0.000 1.193 619 A CA -0.297 51.812 52.037 0.120 0.000 0.879 619 A CB -0.292 18.864 19.000 0.260 0.000 0.911 619 A HN 0.018 nan 8.150 nan 0.000 0.492 620 Y N 0.675 121.028 120.300 0.090 0.000 2.207 620 Y HA -0.154 4.396 4.550 0.000 0.000 0.287 620 Y C 2.618 178.548 175.900 0.049 0.000 1.156 620 Y CA 0.627 58.769 58.100 0.069 0.000 1.182 620 Y CB -1.522 36.965 38.460 0.046 0.000 0.979 620 Y HN 0.291 nan 8.280 nan 0.000 0.521 621 G N -0.291 108.624 108.800 0.191 0.000 2.433 621 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 621 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 621 G C 2.006 176.953 174.900 0.079 0.000 1.186 621 G CA 1.523 46.684 45.100 0.102 0.000 0.779 621 G HN 0.477 nan 8.290 nan 0.000 0.543 622 A N 1.035 123.916 122.820 0.100 0.000 1.940 622 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 622 A C 2.766 180.411 177.584 0.101 0.000 1.176 622 A CA 2.367 54.463 52.037 0.099 0.000 0.631 622 A CB -0.704 18.378 19.000 0.137 0.000 0.814 622 A HN 0.863 nan 8.150 nan 0.000 0.446 623 A N -0.418 122.499 122.820 0.163 0.000 2.014 623 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 623 A C 1.676 179.246 177.584 -0.024 0.000 1.163 623 A CA 1.651 53.800 52.037 0.188 0.000 0.652 623 A CB -0.372 18.796 19.000 0.279 0.000 0.808 623 A HN 0.447 nan 8.150 nan 0.000 0.449 624 D N 0.199 120.587 120.400 -0.020 0.000 2.149 624 D HA 0.039 4.679 4.640 -0.000 0.000 0.201 624 D C 1.926 178.126 176.300 -0.166 0.000 0.972 624 D CA 1.399 55.349 54.000 -0.084 0.000 0.835 624 D CB -0.309 40.476 40.800 -0.025 0.000 0.966 624 D HN 0.402 nan 8.370 nan 0.000 0.476 625 A N 0.456 123.192 122.820 -0.140 0.000 2.238 625 A HA 0.003 4.323 4.320 -0.000 0.000 0.208 625 A C 0.484 177.904 177.584 -0.273 0.000 1.177 625 A CA 0.048 51.991 52.037 -0.157 0.000 0.804 625 A CB -0.148 18.806 19.000 -0.076 0.000 0.823 625 A HN 0.002 nan 8.150 nan 0.000 0.482 626 R N -0.226 119.966 120.500 -0.513 0.000 3.641 626 R HA -0.164 4.176 4.340 -0.000 0.000 0.286 626 R C -0.691 175.393 176.300 -0.359 0.000 1.153 626 R CA 0.980 56.477 56.100 -1.006 0.000 0.775 626 R CB -2.562 27.130 30.300 -1.014 0.000 1.215 626 R HN 0.641 nan 8.270 nan 0.000 0.474 627 D N 0.857 121.205 120.400 -0.086 0.000 2.402 627 D HA 0.117 4.757 4.640 -0.000 0.000 0.235 627 D C 1.145 177.604 176.300 0.266 0.000 1.226 627 D CA -0.215 53.839 54.000 0.092 0.000 0.918 627 D CB 0.533 41.370 40.800 0.060 0.000 1.043 627 D HN 0.075 nan 8.370 nan 0.000 0.506 628 L N 3.194 124.618 121.223 0.334 0.000 2.068 628 L HA -0.049 4.291 4.340 -0.000 0.000 0.204 628 L C 2.074 179.055 176.870 0.184 0.000 1.076 628 L CA 1.368 56.403 54.840 0.326 0.000 0.753 628 L CB -0.609 41.621 42.059 0.284 0.000 0.910 628 L HN 0.267 nan 8.230 nan 0.000 0.439 629 S N -0.902 114.882 115.700 0.140 0.000 2.387 629 S HA -0.206 4.264 4.470 -0.000 0.000 0.230 629 S C 1.785 176.444 174.600 0.100 0.000 1.035 629 S CA 1.825 60.084 58.200 0.099 0.000 1.014 629 S CB -0.625 62.620 63.200 0.076 0.000 0.836 629 S HN 0.585 nan 8.310 nan 0.000 0.466 630 T N 2.552 117.172 114.554 0.110 0.000 2.777 630 T HA 0.098 4.448 4.350 -0.000 0.000 0.266 630 T C 1.747 176.532 174.700 0.143 0.000 1.040 630 T CA 0.798 62.961 62.100 0.104 0.000 1.141 630 T CB -0.335 68.588 68.868 0.091 0.000 0.868 630 T HN 0.248 nan 8.240 nan 0.000 0.444 631 L N 0.402 121.741 121.223 0.194 0.000 2.056 631 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 631 L C 2.411 179.453 176.870 0.288 0.000 1.078 631 L CA 1.036 56.041 54.840 0.275 0.000 0.749 631 L CB -0.570 41.653 42.059 0.272 0.000 0.901 631 L HN 0.255 nan 8.230 nan 0.000 0.433 632 L N -0.889 120.441 121.223 0.179 0.000 2.046 632 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 632 L C 2.626 179.578 176.870 0.136 0.000 1.077 632 L CA 1.651 56.575 54.840 0.141 0.000 0.747 632 L CB -1.056 41.053 42.059 0.083 0.000 0.896 632 L HN 0.276 nan 8.230 nan 0.000 0.432 633 T N -0.430 114.187 114.554 0.105 0.000 2.684 633 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 633 T C 1.920 176.649 174.700 0.048 0.000 1.036 633 T CA 1.542 63.681 62.100 0.065 0.000 1.148 633 T CB -0.259 68.637 68.868 0.047 0.000 0.863 633 T HN 0.223 nan 8.240 nan 0.000 0.436 634 M N -0.089 119.549 119.600 0.064 0.000 2.149 634 M HA 0.007 4.487 4.480 -0.000 0.000 0.261 634 M C 1.165 177.345 176.300 -0.201 0.000 1.064 634 M CA 1.689 56.952 55.300 -0.061 0.000 1.102 634 M CB -0.305 32.273 32.600 -0.036 0.000 1.369 634 M HN 0.181 nan 8.290 nan 0.000 0.408 635 F N -0.485 119.473 119.950 0.013 0.000 2.641 635 F HA 0.317 4.844 4.527 -0.000 0.000 0.302 635 F C 1.450 177.245 175.800 -0.009 0.000 1.098 635 F CA 0.232 58.234 58.000 0.003 0.000 1.318 635 F CB 0.069 39.072 39.000 0.006 0.000 1.035 635 F HN 0.301 nan 8.300 nan 0.000 0.551 636 G N 0.940 109.800 108.800 0.099 0.000 2.160 636 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 636 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 636 G C -0.314 174.619 174.900 0.055 0.000 1.008 636 G CA -0.275 44.857 45.100 0.054 0.000 0.724 636 G HN 0.124 nan 8.290 nan 0.000 0.514 637 L N 0.581 121.848 121.223 0.072 0.000 2.309 637 L HA 0.603 4.943 4.340 -0.000 0.000 0.282 637 L C -1.652 175.238 176.870 0.033 0.000 1.036 637 L CA -2.441 52.425 54.840 0.045 0.000 0.806 637 L CB 1.054 43.139 42.059 0.043 0.000 1.220 637 L HN -0.127 nan 8.230 nan 0.000 0.429 638 P HA 0.051 nan 4.420 nan 0.000 0.265 638 P C -0.331 176.980 177.300 0.018 0.000 1.187 638 P CA -0.228 62.881 63.100 0.015 0.000 0.766 638 P CB 0.393 32.097 31.700 0.006 0.000 0.820 639 Q N 0.000 119.812 119.800 0.021 0.000 2.315 639 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 639 Q CA 0.000 55.818 55.803 0.024 0.000 1.022 639 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481