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 2h5g_1_B DATA FIRST_RESID 362 DATA SEQUENCE TVEQQGEXAR SGGRXLATLE PEQRAEIIHH LADLLTDQRD EILLANKKDL DATA SEQUENCE EEAEGRLAAP LLKRLSLSTS KLNSLAIGLR QIAASSQDSV GRVLRRTRIA DATA SEQUENCE KNLELEQVTV PIGVLLVIFE SRPDCLPQVA ALAIASGNGL LLKGGKEAAH DATA SEQUENCE SNRILHLLTQ EALSIHGVKE AVQLVNTREE VEXXXXLDKX IDLIIPRGSS DATA SEQUENCE QLVRDIQKAA KGIPVXGHSE GICHXYVDSE ASVDKVTRLV RDSKCEYPAA DATA SEQUENCE CNALETLLIH RDLLRTPLFD QIIDXLRVEQ VKIHAGPKFA SYLTFXXXXV DATA SEQUENCE KSLRTEYGDL ELCIEVVDNV QDAIDHIHKY GSSHTDVIVT EDENTAEFFL DATA SEQUENCE QHVDSACVFW NASTRFSDGY RFGLGAEVGI STSRIHARGP VGLEGLLTTK DATA SEQUENCE WLLRGKDHVV SDFSEHGSLK YLHENLPIPQ RNT 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 362 T HA 0.000 nan 4.350 nan 0.000 0.228 362 T C 0.000 174.699 174.700 -0.002 0.000 1.109 362 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 362 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 363 V N 1.890 121.801 119.914 -0.005 0.000 2.515 363 V HA 0.035 4.155 4.120 -0.000 0.000 0.250 363 V C 2.042 178.136 176.094 -0.000 0.000 1.058 363 V CA 2.792 65.089 62.300 -0.005 0.000 1.064 363 V CB -0.470 31.347 31.823 -0.009 0.000 0.675 363 V HN 0.899 nan 8.190 nan 0.000 0.461 364 E N -0.390 119.810 120.200 0.001 0.000 2.106 364 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 364 E C 2.254 178.858 176.600 0.006 0.000 0.984 364 E CA 1.296 57.698 56.400 0.003 0.000 0.806 364 E CB -0.171 29.530 29.700 0.002 0.000 0.750 364 E HN 0.673 nan 8.360 nan 0.000 0.458 365 Q N 0.045 119.849 119.800 0.006 0.000 2.119 365 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 365 Q C 2.103 178.111 176.000 0.013 0.000 0.972 365 Q CA 1.101 56.909 55.803 0.009 0.000 0.847 365 Q CB 0.095 28.839 28.738 0.009 0.000 0.903 365 Q HN 0.354 nan 8.270 nan 0.000 0.433 366 Q N -0.792 119.015 119.800 0.011 0.000 2.079 366 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 366 Q C 2.127 178.138 176.000 0.018 0.000 0.974 366 Q CA 1.220 57.032 55.803 0.016 0.000 0.840 366 Q CB -0.258 28.485 28.738 0.009 0.000 0.898 366 Q HN 0.483 nan 8.270 nan 0.000 0.430 367 G N 1.081 109.889 108.800 0.013 0.000 2.476 367 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 367 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 367 G C 0.834 175.744 174.900 0.016 0.000 1.164 367 G CA 1.220 46.328 45.100 0.014 0.000 0.768 367 G HN 0.519 nan 8.290 nan 0.000 0.560 371 R N 1.420 121.934 120.500 0.023 0.000 2.073 371 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 371 R C 2.398 178.709 176.300 0.018 0.000 1.134 371 R CA 2.673 58.784 56.100 0.019 0.000 0.952 371 R CB -0.203 30.107 30.300 0.015 0.000 0.850 371 R HN 0.663 nan 8.270 nan 0.000 0.433 372 S N -0.855 114.856 115.700 0.019 0.000 2.383 372 S HA -0.034 4.436 4.470 -0.000 0.000 0.227 372 S C 2.152 176.764 174.600 0.020 0.000 1.026 372 S CA 0.923 59.133 58.200 0.018 0.000 0.981 372 S CB -0.578 62.632 63.200 0.017 0.000 0.818 372 S HN 0.510 nan 8.310 nan 0.000 0.472 373 G N 1.274 110.088 108.800 0.024 0.000 2.422 373 G HA2 0.092 4.052 3.960 -0.000 0.000 0.218 373 G HA3 0.092 4.052 3.960 -0.000 0.000 0.218 373 G C 1.423 176.339 174.900 0.026 0.000 1.146 373 G CA 0.660 45.777 45.100 0.028 0.000 0.769 373 G HN 0.666 nan 8.290 nan 0.000 0.547 374 G N 0.652 109.466 108.800 0.025 0.000 2.421 374 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 374 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 374 G C 1.231 176.141 174.900 0.016 0.000 1.171 374 G CA 0.105 45.218 45.100 0.022 0.000 0.775 374 G HN 0.422 nan 8.290 nan 0.000 0.543 378 A N -0.520 122.299 122.820 -0.002 0.000 2.015 378 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 378 A C 1.871 179.446 177.584 -0.015 0.000 1.163 378 A CA 2.364 54.398 52.037 -0.006 0.000 0.646 378 A CB -0.920 18.079 19.000 -0.001 0.000 0.806 378 A HN 0.621 nan 8.150 nan 0.000 0.448 379 T N -2.383 112.161 114.554 -0.017 0.000 3.081 379 T HA 0.322 4.672 4.350 -0.000 0.000 0.255 379 T C 0.744 175.421 174.700 -0.040 0.000 1.113 379 T CA -0.220 61.867 62.100 -0.022 0.000 1.082 379 T CB -0.511 68.349 68.868 -0.015 0.000 0.939 379 T HN 0.237 nan 8.240 nan 0.000 0.506 380 L N 1.935 123.124 121.223 -0.055 0.000 2.492 380 L HA 0.178 4.518 4.340 -0.000 0.000 0.280 380 L C 0.799 177.615 176.870 -0.090 0.000 1.240 380 L CA -0.348 54.431 54.840 -0.101 0.000 0.831 380 L CB 0.282 42.257 42.059 -0.140 0.000 1.100 380 L HN 0.255 nan 8.230 nan 0.000 0.505 381 E N 2.080 122.213 120.200 -0.111 0.000 2.404 381 E HA 0.041 4.390 4.350 -0.000 0.000 0.261 381 E C -1.612 174.945 176.600 -0.072 0.000 1.074 381 E CA -1.694 54.658 56.400 -0.081 0.000 0.917 381 E CB 0.319 29.972 29.700 -0.078 0.000 0.965 381 E HN 0.331 nan 8.360 nan 0.000 0.433 382 P HA -0.150 nan 4.420 nan 0.000 0.216 382 P C 0.645 177.931 177.300 -0.023 0.000 1.150 382 P CA 1.307 64.391 63.100 -0.028 0.000 0.837 382 P CB 0.328 32.017 31.700 -0.019 0.000 0.786 383 E N -0.584 119.599 120.200 -0.028 0.000 2.204 383 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 383 E C 2.088 178.688 176.600 0.000 0.000 0.990 383 E CA 1.065 57.457 56.400 -0.014 0.000 0.821 383 E CB -0.664 29.026 29.700 -0.017 0.000 0.750 383 E HN 0.426 nan 8.360 nan 0.000 0.477 384 Q N -0.043 119.722 119.800 -0.057 0.000 2.083 384 Q HA 0.006 4.346 4.340 -0.000 0.000 0.198 384 Q C 2.163 178.176 176.000 0.022 0.000 0.969 384 Q CA 0.806 56.540 55.803 -0.116 0.000 0.838 384 Q CB -0.006 28.386 28.738 -0.576 0.000 0.900 384 Q HN 0.182 nan 8.270 nan 0.000 0.436 385 R N 0.408 120.904 120.500 -0.008 0.000 2.081 385 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 385 R C 2.307 178.652 176.300 0.075 0.000 1.131 385 R CA 1.185 57.310 56.100 0.043 0.000 0.960 385 R CB -0.398 29.912 30.300 0.018 0.000 0.856 385 R HN 0.191 nan 8.270 nan 0.000 0.436 386 A N 1.193 124.049 122.820 0.061 0.000 1.908 386 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 386 A C 2.044 179.700 177.584 0.119 0.000 1.181 386 A CA 1.556 53.639 52.037 0.077 0.000 0.627 386 A CB -0.475 18.551 19.000 0.044 0.000 0.818 386 A HN 0.413 nan 8.150 nan 0.000 0.445 387 E N -0.222 120.049 120.200 0.120 0.000 2.085 387 E HA -0.193 4.156 4.350 -0.000 0.000 0.194 387 E C 1.888 178.597 176.600 0.182 0.000 0.994 387 E CA 1.376 57.867 56.400 0.151 0.000 0.801 387 E CB -0.234 29.574 29.700 0.180 0.000 0.743 387 E HN 0.690 nan 8.360 nan 0.000 0.453 388 I N 0.754 121.427 120.570 0.172 0.000 2.208 388 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 388 I C 2.357 178.565 176.117 0.150 0.000 1.097 388 I CA 1.083 62.469 61.300 0.142 0.000 1.363 388 I CB -0.212 37.866 38.000 0.130 0.000 1.051 388 I HN 0.202 nan 8.210 nan 0.000 0.413 389 I N -0.526 120.127 120.570 0.138 0.000 2.315 389 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 389 I C 2.661 178.855 176.117 0.128 0.000 1.117 389 I CA 1.164 62.532 61.300 0.114 0.000 1.404 389 I CB -0.666 37.393 38.000 0.098 0.000 1.071 389 I HN 0.331 nan 8.210 nan 0.000 0.419 390 H N 0.043 119.156 119.070 0.073 0.000 2.353 390 H HA -0.250 4.306 4.556 -0.000 0.000 0.300 390 H C 2.267 177.632 175.328 0.062 0.000 1.090 390 H CA 2.187 58.272 56.048 0.061 0.000 1.327 390 H CB 0.050 29.851 29.762 0.065 0.000 1.383 390 H HN 0.391 nan 8.280 nan 0.000 0.508 391 H N -0.109 119.018 119.070 0.095 0.000 2.357 391 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 391 H C 2.266 177.585 175.328 -0.015 0.000 1.082 391 H CA 1.383 57.450 56.048 0.032 0.000 1.342 391 H CB -0.112 29.668 29.762 0.030 0.000 1.389 391 H HN 0.239 nan 8.280 nan 0.000 0.511 392 L N 0.443 121.701 121.223 0.060 0.000 2.017 392 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 392 L C 2.437 179.259 176.870 -0.080 0.000 1.073 392 L CA 2.003 56.840 54.840 -0.005 0.000 0.745 392 L CB -1.339 40.739 42.059 0.031 0.000 0.894 392 L HN 0.372 nan 8.230 nan 0.000 0.432 393 A N -0.776 121.989 122.820 -0.093 0.000 1.908 393 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 393 A C 2.013 179.492 177.584 -0.175 0.000 1.181 393 A CA 2.023 53.980 52.037 -0.133 0.000 0.627 393 A CB -0.922 17.978 19.000 -0.168 0.000 0.818 393 A HN 0.542 nan 8.150 nan 0.000 0.445 394 D N 0.028 120.287 120.400 -0.235 0.000 2.097 394 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 394 D C 1.910 178.087 176.300 -0.206 0.000 0.989 394 D CA 1.112 54.974 54.000 -0.230 0.000 0.827 394 D CB -0.399 40.242 40.800 -0.264 0.000 0.966 394 D HN 0.462 nan 8.370 nan 0.000 0.456 395 L N 0.264 121.338 121.223 -0.248 0.000 2.131 395 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 395 L C 2.473 179.279 176.870 -0.105 0.000 1.092 395 L CA 0.467 55.200 54.840 -0.179 0.000 0.759 395 L CB -0.311 41.651 42.059 -0.162 0.000 0.903 395 L HN 0.061 nan 8.230 nan 0.000 0.435 396 L N -0.909 120.256 121.223 -0.097 0.000 2.083 396 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 396 L C 2.558 179.388 176.870 -0.067 0.000 1.083 396 L CA 1.433 56.232 54.840 -0.070 0.000 0.752 396 L CB -0.859 41.160 42.059 -0.067 0.000 0.899 396 L HN 0.285 nan 8.230 nan 0.000 0.433 397 T N -1.224 113.281 114.554 -0.080 0.000 2.698 397 T HA -0.134 4.216 4.350 -0.000 0.000 0.260 397 T C 1.480 176.144 174.700 -0.060 0.000 1.044 397 T CA 1.193 63.252 62.100 -0.069 0.000 1.149 397 T CB -0.219 68.604 68.868 -0.075 0.000 0.864 397 T HN 0.271 nan 8.240 nan 0.000 0.419 398 D N 1.559 121.916 120.400 -0.072 0.000 2.116 398 D HA -0.085 4.555 4.640 -0.000 0.000 0.193 398 D C 1.892 178.165 176.300 -0.045 0.000 0.998 398 D CA 1.062 55.026 54.000 -0.060 0.000 0.836 398 D CB -0.193 40.562 40.800 -0.074 0.000 0.951 398 D HN 0.320 nan 8.370 nan 0.000 0.449 399 Q N 0.389 120.161 119.800 -0.047 0.000 2.228 399 Q HA 0.084 4.424 4.340 -0.000 0.000 0.211 399 Q C 1.634 177.618 176.000 -0.026 0.000 0.890 399 Q CA -0.195 55.590 55.803 -0.031 0.000 0.953 399 Q CB 0.588 29.310 28.738 -0.027 0.000 1.053 399 Q HN 0.338 nan 8.270 nan 0.000 0.471 400 R N 1.156 121.638 120.500 -0.031 0.000 2.133 400 R HA -0.217 4.123 4.340 -0.000 0.000 0.245 400 R C 0.747 177.034 176.300 -0.020 0.000 1.137 400 R CA 2.107 58.191 56.100 -0.028 0.000 0.947 400 R CB 0.243 30.524 30.300 -0.031 0.000 0.865 400 R HN 0.157 nan 8.270 nan 0.000 0.437 401 D N 0.141 120.530 120.400 -0.019 0.000 2.117 401 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 401 D C 1.962 178.254 176.300 -0.014 0.000 0.987 401 D CA 1.627 55.618 54.000 -0.016 0.000 0.829 401 D CB -0.264 40.527 40.800 -0.016 0.000 0.961 401 D HN 0.497 nan 8.370 nan 0.000 0.460 402 E N 0.755 120.949 120.200 -0.011 0.000 2.107 402 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 402 E C 2.465 179.065 176.600 0.000 0.000 0.982 402 E CA 0.390 56.786 56.400 -0.006 0.000 0.809 402 E CB -0.526 29.173 29.700 -0.002 0.000 0.756 402 E HN 0.350 nan 8.360 nan 0.000 0.459 403 I N 1.413 121.983 120.570 -0.000 0.000 2.163 403 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 403 I C 2.701 178.821 176.117 0.006 0.000 1.085 403 I CA 1.151 62.456 61.300 0.007 0.000 1.347 403 I CB -0.353 37.647 38.000 -0.000 0.000 1.044 403 I HN 0.009 nan 8.210 nan 0.000 0.408 404 L N 0.008 121.228 121.223 -0.005 0.000 2.083 404 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 404 L C 2.558 179.422 176.870 -0.011 0.000 1.083 404 L CA 1.169 56.004 54.840 -0.008 0.000 0.752 404 L CB -0.465 41.586 42.059 -0.014 0.000 0.899 404 L HN 0.318 nan 8.230 nan 0.000 0.433 405 L N -0.347 120.867 121.223 -0.015 0.000 2.027 405 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 405 L C 2.773 179.620 176.870 -0.039 0.000 1.074 405 L CA 1.364 56.187 54.840 -0.028 0.000 0.745 405 L CB -0.265 41.778 42.059 -0.027 0.000 0.898 405 L HN 0.220 nan 8.230 nan 0.000 0.433 406 A N -0.415 122.394 122.820 -0.018 0.000 1.902 406 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 406 A C 2.130 179.731 177.584 0.028 0.000 1.181 406 A CA 2.011 54.048 52.037 0.001 0.000 0.623 406 A CB -0.931 18.104 19.000 0.059 0.000 0.818 406 A HN 0.625 nan 8.150 nan 0.000 0.443 407 N N -0.284 118.434 118.700 0.030 0.000 2.142 407 N HA -0.179 4.560 4.740 -0.000 0.000 0.186 407 N C 2.015 177.535 175.510 0.017 0.000 1.023 407 N CA 1.764 54.836 53.050 0.036 0.000 0.852 407 N CB -0.090 38.412 38.487 0.026 0.000 0.998 407 N HN 0.367 nan 8.380 nan 0.000 0.424 408 K N 1.495 121.891 120.400 -0.007 0.000 2.063 408 K HA -0.096 4.223 4.320 -0.000 0.000 0.208 408 K C 1.939 178.522 176.600 -0.029 0.000 1.048 408 K CA 1.327 57.604 56.287 -0.018 0.000 0.928 408 K CB -0.283 32.201 32.500 -0.027 0.000 0.713 408 K HN 0.369 nan 8.250 nan 0.000 0.442 409 K N 0.120 120.480 120.400 -0.068 0.000 2.057 409 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 409 K C 2.170 178.771 176.600 0.002 0.000 1.049 409 K CA 1.808 58.025 56.287 -0.117 0.000 0.931 409 K CB -0.344 31.921 32.500 -0.392 0.000 0.714 409 K HN 0.369 nan 8.250 nan 0.000 0.440 410 D N 1.125 121.576 120.400 0.085 0.000 2.097 410 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 410 D C 2.009 178.348 176.300 0.064 0.000 0.989 410 D CA 1.030 55.108 54.000 0.130 0.000 0.827 410 D CB -0.227 40.646 40.800 0.122 0.000 0.966 410 D HN 0.115 nan 8.370 nan 0.000 0.456 411 L N 0.785 122.031 121.223 0.038 0.000 2.046 411 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 411 L C 2.375 179.255 176.870 0.017 0.000 1.077 411 L CA 1.161 56.014 54.840 0.023 0.000 0.747 411 L CB -0.331 41.736 42.059 0.012 0.000 0.896 411 L HN 0.015 nan 8.230 nan 0.000 0.432 412 E N -0.039 120.168 120.200 0.011 0.000 2.072 412 E HA -0.226 4.124 4.350 -0.000 0.000 0.191 412 E C 2.039 178.648 176.600 0.015 0.000 0.985 412 E CA 1.149 57.552 56.400 0.005 0.000 0.801 412 E CB 0.015 29.711 29.700 -0.008 0.000 0.750 412 E HN 0.510 nan 8.360 nan 0.000 0.452 413 E N 0.021 120.238 120.200 0.029 0.000 2.285 413 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 413 E C 1.786 178.403 176.600 0.029 0.000 0.997 413 E CA 0.582 57.004 56.400 0.036 0.000 0.845 413 E CB 0.129 29.869 29.700 0.066 0.000 0.782 413 E HN 0.189 nan 8.360 nan 0.000 0.491 414 A N 1.257 124.093 122.820 0.028 0.000 1.975 414 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 414 A C 1.134 178.728 177.584 0.016 0.000 1.170 414 A CA 0.078 52.128 52.037 0.022 0.000 0.656 414 A CB -0.079 18.936 19.000 0.025 0.000 0.821 414 A HN 0.116 nan 8.150 nan 0.000 0.449 415 E N 0.123 120.332 120.200 0.015 0.000 2.729 415 E HA 0.248 4.598 4.350 -0.000 0.000 0.246 415 E C 1.125 177.731 176.600 0.010 0.000 0.984 415 E CA 1.095 57.501 56.400 0.011 0.000 0.951 415 E CB -0.662 29.043 29.700 0.008 0.000 0.914 415 E HN 0.939 nan 8.360 nan 0.000 0.509 416 G N 4.560 113.366 108.800 0.010 0.000 2.205 416 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 416 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 416 G C 1.080 175.985 174.900 0.009 0.000 0.980 416 G CA 0.607 45.712 45.100 0.009 0.000 0.632 416 G HN 0.578 nan 8.290 nan 0.000 0.533 417 R N -1.576 118.930 120.500 0.010 0.000 2.302 417 R HA 0.409 4.749 4.340 -0.000 0.000 0.187 417 R C 0.801 177.106 176.300 0.009 0.000 0.904 417 R CA -0.115 55.990 56.100 0.009 0.000 1.105 417 R CB 0.168 30.473 30.300 0.009 0.000 1.239 417 R HN 0.294 nan 8.270 nan 0.000 0.620 418 L N 1.594 122.823 121.223 0.011 0.000 2.417 418 L HA 0.366 4.706 4.340 -0.000 0.000 0.268 418 L C -0.351 176.528 176.870 0.016 0.000 1.158 418 L CA -0.167 54.680 54.840 0.012 0.000 0.819 418 L CB 1.111 43.178 42.059 0.015 0.000 1.112 418 L HN 0.133 nan 8.230 nan 0.000 0.458 419 A N 3.913 126.743 122.820 0.016 0.000 2.440 419 A HA 0.483 4.803 4.320 -0.000 0.000 0.251 419 A C 1.349 178.950 177.584 0.028 0.000 1.089 419 A CA 0.274 52.323 52.037 0.020 0.000 0.779 419 A CB 0.101 19.112 19.000 0.018 0.000 1.022 419 A HN 1.179 nan 8.150 nan 0.000 0.492 420 A N 3.880 126.719 122.820 0.032 0.000 1.927 420 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 420 A C -0.062 177.556 177.584 0.057 0.000 1.185 420 A CA 2.279 54.341 52.037 0.042 0.000 0.639 420 A CB -1.792 17.233 19.000 0.042 0.000 0.820 420 A HN 0.655 nan 8.150 nan 0.000 0.451 421 P HA -0.152 nan 4.420 nan 0.000 0.216 421 P C 1.478 178.823 177.300 0.075 0.000 1.153 421 P CA 0.989 64.130 63.100 0.069 0.000 0.858 421 P CB -0.162 31.567 31.700 0.048 0.000 0.789 422 L N -1.674 119.582 121.223 0.055 0.000 2.072 422 L HA -0.105 4.234 4.340 -0.000 0.000 0.205 422 L C 2.562 179.464 176.870 0.055 0.000 1.079 422 L CA 1.011 55.883 54.840 0.052 0.000 0.752 422 L CB -0.847 41.232 42.059 0.032 0.000 0.906 422 L HN -0.030 nan 8.230 nan 0.000 0.436 423 L N 0.219 121.470 121.223 0.047 0.000 2.046 423 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 423 L C 2.698 179.593 176.870 0.043 0.000 1.077 423 L CA 1.411 56.275 54.840 0.040 0.000 0.747 423 L CB -0.181 41.896 42.059 0.031 0.000 0.896 423 L HN 0.252 nan 8.230 nan 0.000 0.432 424 K N 0.003 120.438 120.400 0.059 0.000 2.147 424 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 424 K C 1.861 178.489 176.600 0.046 0.000 1.049 424 K CA 1.213 57.530 56.287 0.050 0.000 0.936 424 K CB 0.078 32.640 32.500 0.103 0.000 0.722 424 K HN 0.267 nan 8.250 nan 0.000 0.446 425 R N 0.084 120.637 120.500 0.088 0.000 2.310 425 R HA 0.023 4.363 4.340 -0.000 0.000 0.202 425 R C 1.558 177.900 176.300 0.069 0.000 0.933 425 R CA 0.039 56.195 56.100 0.094 0.000 1.054 425 R CB 0.089 30.468 30.300 0.131 0.000 0.985 425 R HN 0.153 nan 8.270 nan 0.000 0.489 426 L N 0.639 121.892 121.223 0.051 0.000 2.354 426 L HA 0.088 4.428 4.340 -0.000 0.000 0.212 426 L C 0.652 177.544 176.870 0.036 0.000 1.091 426 L CA 0.728 55.598 54.840 0.050 0.000 0.828 426 L CB 0.170 42.256 42.059 0.044 0.000 0.973 426 L HN -0.037 nan 8.230 nan 0.000 0.461 427 S N 0.055 115.765 115.700 0.016 0.000 2.580 427 S HA 0.457 4.927 4.470 -0.000 0.000 0.274 427 S C -0.298 174.302 174.600 -0.001 0.000 1.329 427 S CA -0.585 57.618 58.200 0.004 0.000 1.036 427 S CB 0.743 63.935 63.200 -0.012 0.000 0.919 427 S HN 0.187 nan 8.310 nan 0.000 0.515 428 L N 2.980 124.202 121.223 -0.002 0.000 2.333 428 L HA 0.494 4.834 4.340 -0.000 0.000 0.280 428 L C 0.333 177.190 176.870 -0.021 0.000 1.004 428 L CA -0.504 54.330 54.840 -0.010 0.000 0.820 428 L CB 2.013 44.072 42.059 -0.000 0.000 1.247 428 L HN 0.994 nan 8.230 nan 0.000 0.416 429 S N -0.061 115.619 115.700 -0.033 0.000 2.681 429 S HA 0.213 4.683 4.470 -0.000 0.000 0.299 429 S C 0.846 175.423 174.600 -0.039 0.000 1.113 429 S CA -0.217 57.961 58.200 -0.036 0.000 1.013 429 S CB 1.776 64.950 63.200 -0.043 0.000 1.076 429 S HN 0.639 nan 8.310 nan 0.000 0.534 430 T N 0.621 115.154 114.554 -0.036 0.000 2.803 430 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 430 T C 1.908 176.581 174.700 -0.045 0.000 1.052 430 T CA 2.185 64.263 62.100 -0.037 0.000 1.136 430 T CB -0.776 68.073 68.868 -0.030 0.000 0.864 430 T HN 0.687 nan 8.240 nan 0.000 0.467 431 S N -0.114 115.558 115.700 -0.047 0.000 2.348 431 S HA -0.135 4.335 4.470 -0.000 0.000 0.221 431 S C 2.287 176.840 174.600 -0.078 0.000 1.033 431 S CA 2.155 60.323 58.200 -0.054 0.000 1.010 431 S CB -0.602 62.570 63.200 -0.048 0.000 0.891 431 S HN 0.535 nan 8.310 nan 0.000 0.442 432 K N 0.908 121.261 120.400 -0.079 0.000 2.026 432 K HA 0.084 4.404 4.320 -0.000 0.000 0.208 432 K C 2.257 178.792 176.600 -0.109 0.000 1.048 432 K CA 1.457 57.684 56.287 -0.100 0.000 0.929 432 K CB -1.249 31.206 32.500 -0.075 0.000 0.713 432 K HN 0.635 nan 8.250 nan 0.000 0.439 433 L N 1.056 122.231 121.223 -0.079 0.000 2.081 433 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 433 L C 2.601 179.418 176.870 -0.089 0.000 1.080 433 L CA 1.673 56.468 54.840 -0.075 0.000 0.754 433 L CB -0.596 41.430 42.059 -0.054 0.000 0.893 433 L HN 0.375 nan 8.230 nan 0.000 0.433 434 N N -0.535 118.112 118.700 -0.088 0.000 2.142 434 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 434 N C 2.032 177.467 175.510 -0.124 0.000 1.023 434 N CA 1.520 54.520 53.050 -0.085 0.000 0.852 434 N CB -0.128 38.321 38.487 -0.063 0.000 0.998 434 N HN 0.199 nan 8.380 nan 0.000 0.424 435 S N 1.326 116.908 115.700 -0.197 0.000 2.383 435 S HA 0.027 4.496 4.470 -0.000 0.000 0.227 435 S C 2.175 176.535 174.600 -0.399 0.000 1.026 435 S CA 0.547 58.505 58.200 -0.402 0.000 0.981 435 S CB -0.202 62.660 63.200 -0.562 0.000 0.818 435 S HN 0.240 nan 8.310 nan 0.000 0.472 436 L N 1.263 122.338 121.223 -0.246 0.000 1.989 436 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 436 L C 2.868 179.681 176.870 -0.094 0.000 1.071 436 L CA 1.396 56.146 54.840 -0.151 0.000 0.749 436 L CB -0.801 41.196 42.059 -0.103 0.000 0.890 436 L HN 0.336 nan 8.230 nan 0.000 0.431 437 A N 0.164 122.929 122.820 -0.091 0.000 1.902 437 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 437 A C 2.204 179.761 177.584 -0.046 0.000 1.181 437 A CA 1.644 53.636 52.037 -0.075 0.000 0.623 437 A CB -0.705 18.245 19.000 -0.085 0.000 0.818 437 A HN 0.368 nan 8.150 nan 0.000 0.443 438 I N -0.366 120.186 120.570 -0.031 0.000 2.252 438 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 438 I C 2.677 178.872 176.117 0.130 0.000 1.102 438 I CA 1.105 62.438 61.300 0.054 0.000 1.385 438 I CB -0.513 37.552 38.000 0.108 0.000 1.064 438 I HN 0.389 nan 8.210 nan 0.000 0.414 439 G N 0.832 109.708 108.800 0.127 0.000 2.404 439 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 439 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 439 G C 1.549 176.525 174.900 0.126 0.000 1.174 439 G CA 0.447 45.684 45.100 0.229 0.000 0.780 439 G HN 0.144 nan 8.290 nan 0.000 0.537 440 L N 0.574 121.831 121.223 0.057 0.000 2.042 440 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 440 L C 2.979 179.884 176.870 0.058 0.000 1.076 440 L CA 1.430 56.296 54.840 0.043 0.000 0.749 440 L CB -0.548 41.515 42.059 0.005 0.000 0.893 440 L HN 0.172 nan 8.230 nan 0.000 0.432 441 R N -1.117 119.412 120.500 0.048 0.000 2.115 441 R HA -0.158 4.182 4.340 -0.000 0.000 0.230 441 R C 2.205 178.570 176.300 0.109 0.000 1.111 441 R CA 1.070 57.223 56.100 0.088 0.000 0.976 441 R CB -0.337 29.999 30.300 0.060 0.000 0.870 441 R HN 0.521 nan 8.270 nan 0.000 0.445 442 Q N 0.494 120.354 119.800 0.100 0.000 2.084 442 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 442 Q C 2.138 178.185 176.000 0.077 0.000 0.978 442 Q CA 1.304 57.160 55.803 0.088 0.000 0.844 442 Q CB -0.096 28.699 28.738 0.095 0.000 0.898 442 Q HN 0.353 nan 8.270 nan 0.000 0.426 443 I N 0.574 121.194 120.570 0.082 0.000 2.142 443 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 443 I C 2.455 178.613 176.117 0.069 0.000 1.078 443 I CA 1.079 62.421 61.300 0.069 0.000 1.343 443 I CB -0.485 37.555 38.000 0.068 0.000 1.046 443 I HN 0.166 nan 8.210 nan 0.000 0.405 444 A N 0.704 123.577 122.820 0.088 0.000 1.917 444 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 444 A C 2.449 180.078 177.584 0.074 0.000 1.182 444 A CA 2.185 54.280 52.037 0.098 0.000 0.633 444 A CB -0.927 18.171 19.000 0.164 0.000 0.819 444 A HN 0.468 nan 8.150 nan 0.000 0.448 445 A N -0.530 122.336 122.820 0.077 0.000 2.119 445 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 445 A C 2.090 179.694 177.584 0.033 0.000 1.152 445 A CA 1.745 53.812 52.037 0.051 0.000 0.708 445 A CB -0.433 18.602 19.000 0.058 0.000 0.805 445 A HN 1.052 nan 8.150 nan 0.000 0.460 446 S N -1.085 114.636 115.700 0.035 0.000 2.578 446 S HA 0.094 4.564 4.470 -0.000 0.000 0.231 446 S C 1.109 175.720 174.600 0.019 0.000 0.994 446 S CA 0.609 58.823 58.200 0.024 0.000 0.956 446 S CB -0.288 62.927 63.200 0.024 0.000 0.870 446 S HN 0.689 nan 8.310 nan 0.000 0.494 447 S N 0.393 116.107 115.700 0.023 0.000 2.554 447 S HA 0.242 4.712 4.470 -0.000 0.000 0.226 447 S C 1.377 175.983 174.600 0.010 0.000 0.980 447 S CA -0.461 57.751 58.200 0.019 0.000 0.939 447 S CB -0.232 62.985 63.200 0.028 0.000 0.832 447 S HN 0.465 nan 8.310 nan 0.000 0.486 448 Q N 1.567 121.371 119.800 0.006 0.000 2.230 448 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 448 Q C 0.695 176.691 176.000 -0.007 0.000 0.963 448 Q CA 1.445 57.248 55.803 -0.001 0.000 0.866 448 Q CB -0.168 28.568 28.738 -0.003 0.000 0.931 448 Q HN 0.829 nan 8.270 nan 0.000 0.452 449 D N -1.179 119.216 120.400 -0.008 0.000 2.342 449 D HA 0.051 4.690 4.640 -0.000 0.000 0.221 449 D C 1.120 177.410 176.300 -0.016 0.000 1.101 449 D CA 0.048 54.040 54.000 -0.014 0.000 0.837 449 D CB 0.249 41.040 40.800 -0.015 0.000 0.938 449 D HN -0.174 nan 8.370 nan 0.000 0.508 450 S N -0.419 115.275 115.700 -0.011 0.000 2.355 450 S HA 0.008 4.478 4.470 -0.000 0.000 0.222 450 S C 0.963 175.553 174.600 -0.016 0.000 1.031 450 S CA 0.366 58.559 58.200 -0.011 0.000 0.993 450 S CB 0.118 63.317 63.200 -0.001 0.000 0.859 450 S HN 0.209 nan 8.310 nan 0.000 0.453 451 V N 1.045 120.950 119.914 -0.015 0.000 2.407 451 V HA 0.602 4.722 4.120 -0.000 0.000 0.278 451 V C 1.095 177.174 176.094 -0.025 0.000 1.037 451 V CA 0.243 62.533 62.300 -0.017 0.000 0.900 451 V CB 0.302 32.118 31.823 -0.012 0.000 0.983 451 V HN 0.596 nan 8.190 nan 0.000 0.459 452 G N 4.147 112.927 108.800 -0.032 0.000 2.141 452 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 452 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 452 G C 0.399 175.273 174.900 -0.044 0.000 0.982 452 G CA 0.272 45.350 45.100 -0.037 0.000 0.662 452 G HN 0.743 nan 8.290 nan 0.000 0.527 453 R N 0.337 120.809 120.500 -0.047 0.000 2.489 453 R HA 0.407 4.747 4.340 -0.000 0.000 0.287 453 R C 0.489 176.748 176.300 -0.069 0.000 1.053 453 R CA -0.211 55.859 56.100 -0.050 0.000 1.036 453 R CB 0.456 30.728 30.300 -0.048 0.000 0.966 453 R HN 0.083 nan 8.270 nan 0.000 0.432 454 V N 7.684 127.560 119.914 -0.063 0.000 2.427 454 V HA 0.021 4.141 4.120 -0.000 0.000 0.268 454 V C 1.210 177.253 176.094 -0.086 0.000 1.046 454 V CA 0.088 62.342 62.300 -0.076 0.000 0.970 454 V CB 1.037 32.829 31.823 -0.052 0.000 1.001 454 V HN 0.829 nan 8.190 nan 0.000 0.476 455 L N 4.305 125.451 121.223 -0.127 0.000 2.316 455 L HA 0.315 4.655 4.340 -0.000 0.000 0.207 455 L C 1.002 177.805 176.870 -0.112 0.000 1.070 455 L CA 0.701 55.463 54.840 -0.130 0.000 0.820 455 L CB 0.017 41.964 42.059 -0.187 0.000 0.992 455 L HN 0.522 nan 8.230 nan 0.000 0.466 456 R N -0.408 120.013 120.500 -0.130 0.000 2.740 456 R HA 0.586 4.926 4.340 -0.000 0.000 0.273 456 R C -0.928 175.354 176.300 -0.030 0.000 0.998 456 R CA -0.719 55.345 56.100 -0.060 0.000 0.900 456 R CB 2.689 32.971 30.300 -0.029 0.000 1.223 456 R HN -0.102 nan 8.270 nan 0.000 0.466 457 R N 1.277 121.784 120.500 0.011 0.000 2.510 457 R HA 0.363 4.703 4.340 -0.000 0.000 0.294 457 R C -1.664 174.665 176.300 0.048 0.000 1.056 457 R CA -0.249 55.867 56.100 0.026 0.000 0.918 457 R CB 2.105 32.411 30.300 0.010 0.000 1.187 457 R HN 0.662 nan 8.270 nan 0.000 0.437 458 T N 3.419 118.016 114.554 0.071 0.000 2.881 458 T HA 0.299 4.649 4.350 -0.000 0.000 0.290 458 T C -0.733 174.014 174.700 0.079 0.000 1.000 458 T CA -0.699 61.450 62.100 0.082 0.000 0.978 458 T CB 1.626 70.558 68.868 0.105 0.000 0.997 458 T HN 0.469 nan 8.240 nan 0.000 0.443 459 R N 4.029 124.573 120.500 0.073 0.000 2.325 459 R HA 0.207 4.547 4.340 -0.000 0.000 0.323 459 R C 0.959 177.306 176.300 0.079 0.000 1.177 459 R CA -0.436 55.701 56.100 0.061 0.000 1.018 459 R CB -0.240 30.090 30.300 0.051 0.000 1.070 459 R HN 0.508 nan 8.270 nan 0.000 0.495 460 I N 2.386 122.997 120.570 0.069 0.000 2.202 460 I HA -0.048 4.122 4.170 -0.000 0.000 0.242 460 I C 1.071 177.208 176.117 0.034 0.000 1.091 460 I CA 1.294 62.641 61.300 0.078 0.000 1.368 460 I CB -1.151 36.874 38.000 0.042 0.000 1.058 460 I HN 0.678 nan 8.210 nan 0.000 0.410 461 A N -0.273 122.574 122.820 0.045 0.000 2.581 461 A HA 0.396 4.716 4.320 -0.000 0.000 0.290 461 A C -0.206 177.425 177.584 0.078 0.000 1.119 461 A CA -0.699 51.400 52.037 0.103 0.000 0.670 461 A CB 0.871 20.025 19.000 0.258 0.000 1.280 461 A HN 0.040 nan 8.150 nan 0.000 0.425 462 K N 1.026 121.487 120.400 0.101 0.000 2.484 462 K HA 0.080 4.400 4.320 -0.000 0.000 0.280 462 K C -0.105 176.574 176.600 0.131 0.000 1.013 462 K CA 0.872 57.215 56.287 0.092 0.000 1.029 462 K CB -0.094 32.453 32.500 0.079 0.000 0.902 462 K HN 0.633 nan 8.250 nan 0.000 0.481 463 N N 1.138 119.892 118.700 0.091 0.000 2.800 463 N HA -0.233 4.507 4.740 -0.000 0.000 0.250 463 N C -1.226 174.288 175.510 0.008 0.000 1.078 463 N CA 0.857 53.975 53.050 0.114 0.000 0.804 463 N CB -0.918 37.700 38.487 0.218 0.000 1.135 463 N HN 0.368 nan 8.380 nan 0.000 0.565 464 L N 1.068 122.220 121.223 -0.117 0.000 2.471 464 L HA 0.384 4.724 4.340 -0.000 0.000 0.263 464 L C -0.963 175.854 176.870 -0.087 0.000 0.985 464 L CA -0.246 54.436 54.840 -0.262 0.000 0.868 464 L CB 1.189 42.919 42.059 -0.549 0.000 1.203 464 L HN -0.062 nan 8.230 nan 0.000 0.429 465 E N 4.450 124.627 120.200 -0.038 0.000 2.187 465 E HA 0.466 4.816 4.350 -0.000 0.000 0.268 465 E C -1.404 175.215 176.600 0.031 0.000 0.896 465 E CA -0.774 55.632 56.400 0.010 0.000 0.766 465 E CB 3.046 32.758 29.700 0.019 0.000 1.142 465 E HN 0.441 nan 8.360 nan 0.000 0.408 466 L N 2.204 123.462 121.223 0.059 0.000 2.342 466 L HA 0.423 4.763 4.340 -0.000 0.000 0.271 466 L C -0.567 176.364 176.870 0.102 0.000 1.008 466 L CA -0.260 54.641 54.840 0.103 0.000 0.818 466 L CB 1.411 43.558 42.059 0.147 0.000 1.296 466 L HN 0.583 nan 8.230 nan 0.000 0.427 467 E N 3.226 123.488 120.200 0.103 0.000 2.340 467 E HA 0.393 4.743 4.350 -0.000 0.000 0.273 467 E C -1.726 174.853 176.600 -0.034 0.000 0.891 467 E CA -0.920 55.500 56.400 0.033 0.000 0.757 467 E CB 1.748 31.446 29.700 -0.003 0.000 1.231 467 E HN 0.625 nan 8.360 nan 0.000 0.439 468 Q N 2.459 122.121 119.800 -0.230 0.000 2.322 468 Q HA 0.478 4.818 4.340 -0.000 0.000 0.265 468 Q C -0.987 174.795 176.000 -0.364 0.000 0.985 468 Q CA -0.824 54.635 55.803 -0.573 0.000 0.849 468 Q CB 1.899 29.901 28.738 -1.226 0.000 1.274 468 Q HN 0.588 nan 8.270 nan 0.000 0.449 469 V N 0.452 120.184 119.914 -0.303 0.000 3.074 469 V HA 0.723 4.843 4.120 -0.000 0.000 0.314 469 V C -0.118 175.875 176.094 -0.169 0.000 1.117 469 V CA -0.648 61.540 62.300 -0.186 0.000 1.014 469 V CB 1.544 33.301 31.823 -0.111 0.000 1.057 469 V HN 0.856 nan 8.190 nan 0.000 0.438 470 T N 0.972 115.457 114.554 -0.115 0.000 2.897 470 T HA 0.736 5.086 4.350 -0.000 0.000 0.294 470 T C -0.071 174.596 174.700 -0.055 0.000 1.004 470 T CA 0.087 62.138 62.100 -0.082 0.000 1.106 470 T CB 1.060 69.892 68.868 -0.060 0.000 0.949 470 T HN 2.066 nan 8.240 nan 0.000 0.520 471 V N -0.995 118.898 119.914 -0.036 0.000 3.159 471 V HA 0.796 4.915 4.120 -0.000 0.000 0.308 471 V C -3.158 172.935 176.094 -0.002 0.000 1.190 471 V CA -3.209 59.080 62.300 -0.018 0.000 1.037 471 V CB 1.472 33.285 31.823 -0.016 0.000 1.060 471 V HN 0.695 nan 8.190 nan 0.000 0.437 472 P HA 0.407 nan 4.420 nan 0.000 0.272 472 P C 1.057 178.366 177.300 0.016 0.000 1.223 472 P CA -0.070 63.038 63.100 0.013 0.000 0.784 472 P CB 0.650 32.357 31.700 0.012 0.000 0.923 473 I N 0.213 120.796 120.570 0.022 0.000 2.264 473 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 473 I C 1.654 177.775 176.117 0.006 0.000 1.111 473 I CA 2.222 63.529 61.300 0.012 0.000 1.382 473 I CB -0.627 37.375 38.000 0.004 0.000 1.060 473 I HN 0.699 nan 8.210 nan 0.000 0.418 474 G N -0.266 108.541 108.800 0.010 0.000 1.674 474 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.192 474 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.192 474 G C -0.444 174.463 174.900 0.013 0.000 1.551 474 G CA -0.172 44.934 45.100 0.010 0.000 1.320 474 G HN -0.028 nan 8.290 nan 0.000 0.432 475 V N 2.137 122.057 119.914 0.011 0.000 2.531 475 V HA 0.691 4.811 4.120 -0.000 0.000 0.301 475 V C -0.053 176.049 176.094 0.012 0.000 1.034 475 V CA -0.556 61.753 62.300 0.015 0.000 0.865 475 V CB 1.405 33.237 31.823 0.015 0.000 0.995 475 V HN 0.602 nan 8.190 nan 0.000 0.424 476 L N 5.050 126.283 121.223 0.018 0.000 2.322 476 L HA 0.641 4.981 4.340 -0.000 0.000 0.279 476 L C -0.717 176.169 176.870 0.026 0.000 1.036 476 L CA -0.768 54.083 54.840 0.018 0.000 0.807 476 L CB 1.681 43.752 42.059 0.021 0.000 1.226 476 L HN 0.449 nan 8.230 nan 0.000 0.433 477 L N 3.648 124.887 121.223 0.026 0.000 2.316 477 L HA 0.497 4.837 4.340 -0.000 0.000 0.280 477 L C -0.706 176.197 176.870 0.054 0.000 1.006 477 L CA -0.240 54.624 54.840 0.039 0.000 0.836 477 L CB 1.619 43.695 42.059 0.028 0.000 1.221 477 L HN 0.269 nan 8.230 nan 0.000 0.418 478 V N 7.092 127.058 119.914 0.087 0.000 2.348 478 V HA 0.402 4.522 4.120 -0.000 0.000 0.270 478 V C 0.252 176.495 176.094 0.248 0.000 1.037 478 V CA -0.258 62.118 62.300 0.128 0.000 0.872 478 V CB 1.009 32.871 31.823 0.065 0.000 1.002 478 V HN 0.593 nan 8.190 nan 0.000 0.464 479 I N 7.080 127.766 120.570 0.194 0.000 2.328 479 I HA 0.489 4.659 4.170 -0.000 0.000 0.287 479 I C -0.474 175.776 176.117 0.223 0.000 1.012 479 I CA -0.274 61.118 61.300 0.153 0.000 1.195 479 I CB 0.506 38.535 38.000 0.048 0.000 1.350 479 I HN 0.626 nan 8.210 nan 0.000 0.464 480 F N 3.506 123.451 119.950 -0.009 0.000 2.529 480 F HA 0.686 5.213 4.527 -0.000 0.000 0.320 480 F C -0.349 175.449 175.800 -0.003 0.000 1.118 480 F CA -0.985 57.013 58.000 -0.004 0.000 0.915 480 F CB 1.055 40.058 39.000 0.005 0.000 1.161 480 F HN 0.392 nan 8.300 nan 0.000 0.445 481 E N 2.138 122.358 120.200 0.035 0.000 2.277 481 E HA 0.481 4.831 4.350 -0.000 0.000 0.274 481 E C 0.302 176.937 176.600 0.059 0.000 1.022 481 E CA -0.779 55.602 56.400 -0.032 0.000 0.853 481 E CB 1.664 31.356 29.700 -0.013 0.000 1.086 481 E HN 0.931 nan 8.360 nan 0.000 0.397 482 S N 2.287 117.999 115.700 0.019 0.000 3.938 482 S HA -0.381 4.089 4.470 -0.000 0.000 0.624 482 S C 0.117 174.836 174.600 0.198 0.000 2.186 482 S CA 1.632 59.879 58.200 0.078 0.000 4.144 482 S CB -0.831 62.416 63.200 0.078 0.000 0.230 482 S HN 0.923 nan 8.310 nan 0.000 0.755 483 R N -0.510 120.100 120.500 0.184 0.000 3.251 483 R HA -0.140 4.200 4.340 -0.000 0.000 0.249 483 R C -2.043 174.394 176.300 0.228 0.000 0.949 483 R CA 0.670 56.890 56.100 0.201 0.000 0.645 483 R CB -1.587 28.842 30.300 0.214 0.000 1.065 483 R HN 0.588 nan 8.270 nan 0.000 0.452 484 P HA -0.203 nan 4.420 nan 0.000 0.222 484 P C 0.801 178.140 177.300 0.065 0.000 1.147 484 P CA 1.600 64.810 63.100 0.183 0.000 0.790 484 P CB 0.026 31.806 31.700 0.133 0.000 0.780 485 D N 0.336 120.757 120.400 0.034 0.000 2.309 485 D HA -0.152 4.488 4.640 -0.000 0.000 0.212 485 D C 1.850 178.117 176.300 -0.055 0.000 0.968 485 D CA 0.990 54.983 54.000 -0.011 0.000 0.882 485 D CB -1.474 39.319 40.800 -0.011 0.000 0.918 485 D HN 0.297 nan 8.370 nan 0.000 0.503 486 C N -0.613 118.626 119.300 -0.102 0.000 2.495 486 C HA 0.267 4.727 4.460 -0.000 0.000 0.275 486 C C 2.663 177.481 174.990 -0.288 0.000 1.392 486 C CA -0.423 58.480 59.018 -0.191 0.000 1.766 486 C CB -1.717 25.886 27.740 -0.228 0.000 1.933 486 C HN 0.333 nan 8.230 nan 0.000 0.519 487 L N 2.059 123.092 121.223 -0.317 0.000 1.989 487 L HA -0.000 4.340 4.340 -0.000 0.000 0.211 487 L C -0.159 176.642 176.870 -0.115 0.000 1.071 487 L CA 2.192 56.870 54.840 -0.270 0.000 0.749 487 L CB -1.203 40.802 42.059 -0.090 0.000 0.890 487 L HN 0.178 nan 8.230 nan 0.000 0.431 488 P HA -0.170 nan 4.420 nan 0.000 0.218 488 P C 1.286 178.566 177.300 -0.035 0.000 1.149 488 P CA 1.317 64.397 63.100 -0.033 0.000 0.817 488 P CB -0.064 31.620 31.700 -0.026 0.000 0.785 489 Q N -0.137 119.632 119.800 -0.052 0.000 2.050 489 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 489 Q C 2.210 178.192 176.000 -0.030 0.000 0.980 489 Q CA 2.085 57.870 55.803 -0.031 0.000 0.840 489 Q CB -0.790 27.929 28.738 -0.031 0.000 0.898 489 Q HN 0.246 nan 8.270 nan 0.000 0.424 490 V N -2.317 117.556 119.914 -0.069 0.000 2.591 490 V HA 0.002 4.122 4.120 -0.000 0.000 0.249 490 V C 2.083 178.163 176.094 -0.023 0.000 1.053 490 V CA 1.405 63.672 62.300 -0.054 0.000 1.068 490 V CB -0.901 30.861 31.823 -0.100 0.000 0.689 490 V HN 0.255 nan 8.190 nan 0.000 0.462 491 A N 0.974 123.781 122.820 -0.021 0.000 1.873 491 A HA 0.129 4.449 4.320 -0.000 0.000 0.215 491 A C 2.502 180.099 177.584 0.021 0.000 1.186 491 A CA 2.224 54.268 52.037 0.012 0.000 0.616 491 A CB -1.104 17.910 19.000 0.024 0.000 0.823 491 A HN 0.927 nan 8.150 nan 0.000 0.442 492 A N -0.361 122.469 122.820 0.018 0.000 1.933 492 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 492 A C 2.161 179.765 177.584 0.033 0.000 1.175 492 A CA 1.450 53.505 52.037 0.030 0.000 0.628 492 A CB -0.567 18.451 19.000 0.030 0.000 0.814 492 A HN 0.463 nan 8.150 nan 0.000 0.444 493 L N -0.935 120.304 121.223 0.028 0.000 2.093 493 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 493 L C 3.080 179.969 176.870 0.031 0.000 1.085 493 L CA 0.882 55.741 54.840 0.032 0.000 0.755 493 L CB -0.504 41.574 42.059 0.031 0.000 0.904 493 L HN 0.442 nan 8.230 nan 0.000 0.435 494 A N 0.499 123.336 122.820 0.027 0.000 1.877 494 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 494 A C 2.200 179.802 177.584 0.031 0.000 1.186 494 A CA 1.496 53.551 52.037 0.029 0.000 0.620 494 A CB -0.640 18.378 19.000 0.029 0.000 0.822 494 A HN 0.315 nan 8.150 nan 0.000 0.443 495 I N -0.104 120.486 120.570 0.034 0.000 2.163 495 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 495 I C 2.931 179.069 176.117 0.035 0.000 1.085 495 I CA 1.230 62.553 61.300 0.038 0.000 1.347 495 I CB -0.304 37.724 38.000 0.046 0.000 1.044 495 I HN 0.351 nan 8.210 nan 0.000 0.408 496 A N 0.278 123.119 122.820 0.036 0.000 2.019 496 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 496 A C 2.275 179.873 177.584 0.024 0.000 1.164 496 A CA 1.970 54.026 52.037 0.032 0.000 0.644 496 A CB -0.592 18.430 19.000 0.037 0.000 0.805 496 A HN 0.535 nan 8.150 nan 0.000 0.449 497 S N -2.285 113.430 115.700 0.025 0.000 2.556 497 S HA 0.417 4.887 4.470 -0.000 0.000 0.216 497 S C 1.235 175.845 174.600 0.017 0.000 0.970 497 S CA 0.815 59.028 58.200 0.021 0.000 0.912 497 S CB -0.132 63.085 63.200 0.028 0.000 0.790 497 S HN 1.841 nan 8.310 nan 0.000 0.504 498 G N 1.836 110.646 108.800 0.017 0.000 2.160 498 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.251 498 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.251 498 G C -0.263 174.647 174.900 0.017 0.000 1.008 498 G CA -0.132 44.976 45.100 0.014 0.000 0.724 498 G HN 0.533 nan 8.290 nan 0.000 0.514 499 N N 0.396 119.109 118.700 0.022 0.000 2.487 499 N HA 0.538 5.278 4.740 -0.000 0.000 0.292 499 N C 0.807 176.334 175.510 0.027 0.000 1.108 499 N CA 0.458 53.522 53.050 0.023 0.000 0.956 499 N CB 1.411 39.913 38.487 0.025 0.000 1.176 499 N HN 0.367 nan 8.380 nan 0.000 0.484 500 G N 0.264 109.080 108.800 0.026 0.000 2.503 500 G HA2 0.452 4.412 3.960 -0.000 0.000 0.257 500 G HA3 0.452 4.412 3.960 -0.000 0.000 0.257 500 G C -0.779 174.141 174.900 0.035 0.000 1.214 500 G CA -0.069 45.050 45.100 0.032 0.000 0.839 500 G HN 0.401 nan 8.290 nan 0.000 0.559 501 L N 0.808 122.058 121.223 0.044 0.000 2.464 501 L HA 0.641 4.981 4.340 -0.000 0.000 0.266 501 L C -1.103 175.801 176.870 0.057 0.000 0.965 501 L CA -0.612 54.257 54.840 0.049 0.000 0.833 501 L CB 1.962 44.052 42.059 0.052 0.000 1.296 501 L HN 0.424 nan 8.230 nan 0.000 0.405 502 L N 5.654 126.908 121.223 0.051 0.000 2.322 502 L HA 0.589 4.929 4.340 -0.000 0.000 0.281 502 L C -0.905 176.011 176.870 0.077 0.000 1.014 502 L CA -0.540 54.330 54.840 0.050 0.000 0.815 502 L CB 1.669 43.748 42.059 0.033 0.000 1.247 502 L HN 0.494 nan 8.230 nan 0.000 0.421 503 L N 3.885 125.162 121.223 0.090 0.000 2.287 503 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 503 L C -0.259 176.693 176.870 0.136 0.000 1.022 503 L CA -0.521 54.441 54.840 0.203 0.000 0.814 503 L CB 1.468 43.670 42.059 0.240 0.000 1.217 503 L HN 0.377 nan 8.230 nan 0.000 0.420 504 K N 2.820 123.301 120.400 0.135 0.000 2.464 504 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 504 K C -0.273 176.087 176.600 -0.399 0.000 1.000 504 K CA -0.312 55.928 56.287 -0.077 0.000 0.951 504 K CB 1.276 33.747 32.500 -0.048 0.000 1.183 504 K HN 0.580 nan 8.250 nan 0.000 0.445 505 G N 1.079 109.505 108.800 -0.624 0.000 2.521 505 G HA2 0.613 4.573 3.960 -0.000 0.000 0.323 505 G HA3 0.613 4.573 3.960 -0.000 0.000 0.323 505 G C -0.451 174.131 174.900 -0.530 0.000 1.211 505 G CA -0.809 43.624 45.100 -1.110 0.000 0.979 505 G HN 0.613 nan 8.290 nan 0.000 0.490 506 G N -1.491 107.046 108.800 -0.439 0.000 2.477 506 G HA2 0.398 4.358 3.960 -0.000 0.000 0.304 506 G HA3 0.398 4.358 3.960 -0.000 0.000 0.304 506 G C 0.891 175.690 174.900 -0.168 0.000 1.175 506 G CA -0.292 44.669 45.100 -0.231 0.000 0.907 506 G HN 0.504 nan 8.290 nan 0.000 0.509 507 K N 0.100 120.427 120.400 -0.121 0.000 2.103 507 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 507 K C 2.605 179.156 176.600 -0.081 0.000 1.048 507 K CA 1.920 58.147 56.287 -0.100 0.000 0.930 507 K CB -0.334 32.121 32.500 -0.075 0.000 0.716 507 K HN 0.834 nan 8.250 nan 0.000 0.444 508 E N 0.479 120.643 120.200 -0.059 0.000 2.171 508 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 508 E C 1.480 178.075 176.600 -0.009 0.000 0.997 508 E CA 1.832 58.218 56.400 -0.024 0.000 0.810 508 E CB -0.316 29.376 29.700 -0.013 0.000 0.738 508 E HN 0.393 nan 8.360 nan 0.000 0.467 509 A N 0.399 123.200 122.820 -0.032 0.000 2.500 509 A HA 0.634 4.954 4.320 -0.000 0.000 0.267 509 A C 2.028 179.604 177.584 -0.013 0.000 1.290 509 A CA 0.501 52.542 52.037 0.006 0.000 0.928 509 A CB 0.062 19.082 19.000 0.034 0.000 1.066 509 A HN 0.306 nan 8.150 nan 0.000 0.516 510 A N 0.186 122.952 122.820 -0.090 0.000 1.892 510 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 510 A C 1.840 179.337 177.584 -0.146 0.000 1.188 510 A CA 2.206 54.145 52.037 -0.164 0.000 0.631 510 A CB -0.881 17.955 19.000 -0.274 0.000 0.822 510 A HN 0.709 nan 8.150 nan 0.000 0.447 511 H N -0.784 118.295 119.070 0.015 0.000 2.357 511 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 511 H C 2.632 177.982 175.328 0.035 0.000 1.082 511 H CA 1.532 57.594 56.048 0.022 0.000 1.342 511 H CB -0.001 29.770 29.762 0.016 0.000 1.389 511 H HN 0.478 nan 8.280 nan 0.000 0.511 512 S N 0.501 116.294 115.700 0.155 0.000 2.348 512 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 512 S C 1.893 176.563 174.600 0.116 0.000 1.033 512 S CA 1.276 59.547 58.200 0.117 0.000 1.010 512 S CB -0.170 63.092 63.200 0.103 0.000 0.891 512 S HN 0.466 nan 8.310 nan 0.000 0.442 513 N N 1.113 119.884 118.700 0.119 0.000 2.166 513 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 513 N C 1.936 177.531 175.510 0.141 0.000 1.019 513 N CA 0.666 53.808 53.050 0.153 0.000 0.856 513 N CB -0.543 38.034 38.487 0.151 0.000 0.993 513 N HN 0.216 nan 8.380 nan 0.000 0.426 514 R N 1.081 121.640 120.500 0.099 0.000 2.083 514 R HA 0.053 4.393 4.340 -0.000 0.000 0.237 514 R C 2.238 178.620 176.300 0.136 0.000 1.137 514 R CA 1.044 57.209 56.100 0.109 0.000 0.951 514 R CB -1.132 29.209 30.300 0.069 0.000 0.851 514 R HN 0.468 nan 8.270 nan 0.000 0.434 515 I N -0.078 120.559 120.570 0.111 0.000 2.252 515 I HA -0.122 4.047 4.170 -0.000 0.000 0.245 515 I C 2.199 178.363 176.117 0.079 0.000 1.102 515 I CA 1.576 62.927 61.300 0.085 0.000 1.385 515 I CB -0.041 37.999 38.000 0.067 0.000 1.064 515 I HN 0.284 nan 8.210 nan 0.000 0.414 516 L N -0.050 121.230 121.223 0.094 0.000 2.093 516 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 516 L C 2.668 179.598 176.870 0.101 0.000 1.085 516 L CA 1.355 56.243 54.840 0.080 0.000 0.755 516 L CB -1.013 41.095 42.059 0.082 0.000 0.904 516 L HN 0.437 nan 8.230 nan 0.000 0.435 517 H N 0.253 119.355 119.070 0.053 0.000 2.357 517 H HA -0.185 4.371 4.556 -0.000 0.000 0.301 517 H C 2.234 177.587 175.328 0.042 0.000 1.082 517 H CA 1.685 57.764 56.048 0.051 0.000 1.342 517 H CB 0.228 30.025 29.762 0.060 0.000 1.389 517 H HN 0.213 nan 8.280 nan 0.000 0.511 518 L N 1.451 122.663 121.223 -0.018 0.000 2.012 518 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 518 L C 2.418 179.242 176.870 -0.077 0.000 1.073 518 L CA 1.484 56.285 54.840 -0.065 0.000 0.748 518 L CB -1.093 40.980 42.059 0.023 0.000 0.891 518 L HN 0.298 nan 8.230 nan 0.000 0.431 519 L N -1.219 119.986 121.223 -0.030 0.000 2.083 519 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 519 L C 2.326 179.184 176.870 -0.020 0.000 1.083 519 L CA 1.552 56.384 54.840 -0.014 0.000 0.752 519 L CB -1.152 40.904 42.059 -0.005 0.000 0.899 519 L HN 0.295 nan 8.230 nan 0.000 0.433 520 T N -0.897 113.627 114.554 -0.051 0.000 2.708 520 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 520 T C 1.923 176.577 174.700 -0.078 0.000 1.037 520 T CA 1.282 63.354 62.100 -0.047 0.000 1.146 520 T CB -0.157 68.689 68.868 -0.036 0.000 0.865 520 T HN 0.373 nan 8.240 nan 0.000 0.435 521 Q N 0.486 120.176 119.800 -0.184 0.000 2.119 521 Q HA -0.156 4.184 4.340 -0.000 0.000 0.201 521 Q C 2.471 178.426 176.000 -0.076 0.000 0.972 521 Q CA 1.459 57.164 55.803 -0.164 0.000 0.847 521 Q CB -0.146 28.427 28.738 -0.274 0.000 0.903 521 Q HN 0.776 nan 8.270 nan 0.000 0.433 522 E N 0.240 120.412 120.200 -0.046 0.000 2.208 522 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 522 E C 1.825 178.429 176.600 0.006 0.000 0.988 522 E CA 0.910 57.305 56.400 -0.008 0.000 0.828 522 E CB -0.093 29.621 29.700 0.023 0.000 0.763 522 E HN 0.243 nan 8.360 nan 0.000 0.478 523 A N 1.653 124.513 122.820 0.066 0.000 1.873 523 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 523 A C 2.264 179.835 177.584 -0.022 0.000 1.186 523 A CA 1.114 53.204 52.037 0.090 0.000 0.616 523 A CB -0.706 18.387 19.000 0.155 0.000 0.823 523 A HN 0.296 nan 8.150 nan 0.000 0.442 524 L N -0.017 121.202 121.223 -0.006 0.000 2.127 524 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 524 L C 2.684 179.539 176.870 -0.026 0.000 1.089 524 L CA 1.328 56.168 54.840 0.001 0.000 0.757 524 L CB -0.346 41.715 42.059 0.005 0.000 0.899 524 L HN 0.301 nan 8.230 nan 0.000 0.434 525 S N 0.322 115.987 115.700 -0.057 0.000 2.419 525 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 525 S C 1.939 176.467 174.600 -0.121 0.000 1.016 525 S CA 1.366 59.525 58.200 -0.068 0.000 0.974 525 S CB -0.394 62.767 63.200 -0.065 0.000 0.786 525 S HN 0.564 nan 8.310 nan 0.000 0.492 526 I N -0.649 119.791 120.570 -0.217 0.000 2.454 526 I HA -0.147 4.023 4.170 -0.000 0.000 0.254 526 I C 1.119 176.948 176.117 -0.480 0.000 1.156 526 I CA 1.722 62.800 61.300 -0.371 0.000 1.433 526 I CB -0.393 37.306 38.000 -0.503 0.000 1.082 526 I HN 0.247 nan 8.210 nan 0.000 0.432 527 H N 1.389 120.432 119.070 -0.044 0.000 2.528 527 H HA 0.333 4.889 4.556 -0.000 0.000 0.282 527 H C 1.387 176.703 175.328 -0.018 0.000 1.097 527 H CA 0.204 56.236 56.048 -0.026 0.000 1.121 527 H CB 0.520 30.271 29.762 -0.018 0.000 1.590 527 H HN 0.548 nan 8.280 nan 0.000 0.553 528 G N 1.628 110.454 108.800 0.045 0.000 2.221 528 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 528 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 528 G C 0.704 175.626 174.900 0.038 0.000 1.041 528 G CA 0.702 45.821 45.100 0.031 0.000 0.807 528 G HN 0.433 nan 8.290 nan 0.000 0.502 529 V N -3.320 116.619 119.914 0.042 0.000 2.854 529 V HA 0.471 4.591 4.120 -0.000 0.000 0.366 529 V C 1.752 177.863 176.094 0.028 0.000 1.322 529 V CA 0.413 62.737 62.300 0.040 0.000 1.243 529 V CB 0.323 32.178 31.823 0.052 0.000 1.337 529 V HN 0.258 nan 8.190 nan 0.000 0.585 530 K N 0.991 121.400 120.400 0.015 0.000 2.089 530 K HA -0.225 4.094 4.320 -0.000 0.000 0.210 530 K C 1.901 178.518 176.600 0.029 0.000 1.048 530 K CA 2.486 58.777 56.287 0.006 0.000 0.926 530 K CB -0.023 32.477 32.500 -0.000 0.000 0.714 530 K HN 0.667 nan 8.250 nan 0.000 0.448 531 E N -0.127 120.095 120.200 0.037 0.000 2.333 531 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 531 E C 1.801 178.434 176.600 0.056 0.000 1.007 531 E CA 0.605 57.035 56.400 0.049 0.000 0.845 531 E CB -0.030 29.693 29.700 0.038 0.000 0.766 531 E HN 0.345 nan 8.360 nan 0.000 0.507 532 A N 0.836 123.686 122.820 0.050 0.000 2.019 532 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 532 A C 1.185 178.810 177.584 0.067 0.000 1.164 532 A CA 0.770 52.838 52.037 0.050 0.000 0.644 532 A CB 0.277 19.302 19.000 0.043 0.000 0.805 532 A HN 0.051 nan 8.150 nan 0.000 0.449 533 V N 1.850 121.820 119.914 0.093 0.000 2.349 533 V HA 0.283 4.403 4.120 -0.000 0.000 0.284 533 V C -0.963 175.282 176.094 0.252 0.000 1.014 533 V CA -0.798 61.588 62.300 0.144 0.000 0.826 533 V CB 1.312 33.217 31.823 0.137 0.000 1.009 533 V HN 0.403 nan 8.190 nan 0.000 0.431 534 Q N 3.312 123.207 119.800 0.158 0.000 2.245 534 Q HA 0.557 4.897 4.340 -0.000 0.000 0.256 534 Q C -0.860 175.103 176.000 -0.063 0.000 0.942 534 Q CA -0.768 55.090 55.803 0.091 0.000 0.896 534 Q CB 2.973 31.739 28.738 0.046 0.000 1.272 534 Q HN 0.618 nan 8.270 nan 0.000 0.442 535 L N 2.755 123.798 121.223 -0.299 0.000 2.280 535 L HA 0.326 4.666 4.340 -0.000 0.000 0.287 535 L C -0.994 175.771 176.870 -0.176 0.000 1.023 535 L CA -0.551 54.067 54.840 -0.370 0.000 0.819 535 L CB 1.406 42.995 42.059 -0.783 0.000 1.212 535 L HN 0.316 nan 8.230 nan 0.000 0.420 536 V N 5.227 125.080 119.914 -0.101 0.000 2.530 536 V HA 0.206 4.326 4.120 -0.000 0.000 0.282 536 V C 0.717 176.761 176.094 -0.084 0.000 1.048 536 V CA -0.663 61.594 62.300 -0.070 0.000 0.997 536 V CB 0.962 32.759 31.823 -0.043 0.000 0.987 536 V HN 0.785 nan 8.190 nan 0.000 0.477 537 N N 3.040 121.698 118.700 -0.070 0.000 2.458 537 N HA -0.007 4.732 4.740 -0.000 0.000 0.258 537 N C 1.167 176.632 175.510 -0.074 0.000 1.219 537 N CA 0.264 53.273 53.050 -0.069 0.000 0.902 537 N CB 1.404 39.861 38.487 -0.050 0.000 1.076 537 N HN 0.753 nan 8.380 nan 0.000 0.455 538 T N 3.080 117.582 114.554 -0.086 0.000 3.025 538 T HA -0.126 4.224 4.350 -0.000 0.000 0.270 538 T C 2.151 176.810 174.700 -0.067 0.000 1.126 538 T CA 1.433 63.479 62.100 -0.090 0.000 1.105 538 T CB -0.126 68.679 68.868 -0.104 0.000 0.884 538 T HN 0.703 nan 8.240 nan 0.000 0.522 539 R N 1.581 122.048 120.500 -0.055 0.000 2.091 539 R HA -0.006 4.334 4.340 -0.000 0.000 0.238 539 R C 1.325 177.601 176.300 -0.039 0.000 1.136 539 R CA 1.547 57.621 56.100 -0.042 0.000 0.959 539 R CB -1.019 29.260 30.300 -0.035 0.000 0.856 539 R HN 0.516 nan 8.270 nan 0.000 0.437 540 E N 1.196 121.371 120.200 -0.041 0.000 2.392 540 E HA 0.160 4.510 4.350 -0.000 0.000 0.264 540 E C -0.886 175.691 176.600 -0.037 0.000 1.024 540 E CA 0.243 56.622 56.400 -0.035 0.000 0.903 540 E CB 0.900 30.580 29.700 -0.033 0.000 0.963 540 E HN 0.479 nan 8.360 nan 0.000 0.432 541 E N 1.870 122.052 120.200 -0.029 0.000 2.283 541 E HA 0.214 4.564 4.350 -0.000 0.000 0.271 541 E C -0.321 176.264 176.600 -0.026 0.000 1.031 541 E CA -0.483 55.900 56.400 -0.028 0.000 0.868 541 E CB 1.633 31.319 29.700 -0.022 0.000 1.094 541 E HN 0.442 nan 8.360 nan 0.000 0.401 542 V N 2.768 122.666 119.914 -0.027 0.000 1.909 542 V HA 0.133 4.253 4.120 -0.000 0.000 0.253 542 V C 0.450 176.535 176.094 -0.016 0.000 1.734 542 V CA 0.903 63.190 62.300 -0.022 0.000 1.661 542 V CB -1.984 29.824 31.823 -0.024 0.000 1.552 542 V HN 0.736 nan 8.190 nan 0.000 0.506 549 D N -1.443 118.956 120.400 -0.002 0.000 2.269 549 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 549 D C 0.755 177.054 176.300 -0.001 0.000 0.963 549 D CA 0.408 54.407 54.000 -0.003 0.000 0.864 549 D CB 0.289 41.087 40.800 -0.003 0.000 0.936 549 D HN 0.122 nan 8.370 nan 0.000 0.505 553 D N 4.424 124.821 120.400 -0.006 0.000 2.327 553 D HA 0.261 4.901 4.640 -0.000 0.000 0.205 553 D C 0.081 176.364 176.300 -0.029 0.000 0.989 553 D CA 0.909 54.900 54.000 -0.015 0.000 0.873 553 D CB 1.460 42.252 40.800 -0.013 0.000 0.955 553 D HN 0.194 nan 8.370 nan 0.000 0.515 554 L N 1.185 122.394 121.223 -0.024 0.000 2.526 554 L HA 0.374 4.714 4.340 -0.000 0.000 0.263 554 L C -1.590 175.271 176.870 -0.014 0.000 0.943 554 L CA -0.522 54.298 54.840 -0.033 0.000 0.859 554 L CB 2.775 44.806 42.059 -0.047 0.000 1.313 554 L HN -0.267 nan 8.230 nan 0.000 0.406 555 I N 4.915 125.477 120.570 -0.013 0.000 2.336 555 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 555 I C -0.539 175.580 176.117 0.003 0.000 0.991 555 I CA -0.431 60.870 61.300 0.000 0.000 1.227 555 I CB 1.823 39.822 38.000 -0.000 0.000 1.366 555 I HN 0.402 nan 8.210 nan 0.000 0.466 556 I N 8.549 129.129 120.570 0.017 0.000 2.437 556 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 556 I C -2.385 173.751 176.117 0.031 0.000 1.028 556 I CA -1.769 59.542 61.300 0.019 0.000 1.142 556 I CB 1.434 39.447 38.000 0.021 0.000 1.266 556 I HN 0.289 nan 8.210 nan 0.000 0.461 557 P HA 0.385 nan 4.420 nan 0.000 0.288 557 P C -1.030 176.275 177.300 0.007 0.000 1.267 557 P CA -0.732 62.378 63.100 0.017 0.000 0.815 557 P CB 1.221 32.913 31.700 -0.013 0.000 0.989 558 R N 1.948 122.481 120.500 0.056 0.000 2.521 558 R HA 0.718 5.058 4.340 -0.000 0.000 0.295 558 R C 0.243 176.586 176.300 0.071 0.000 1.183 558 R CA -0.397 55.739 56.100 0.059 0.000 0.957 558 R CB 1.473 31.840 30.300 0.111 0.000 1.171 558 R HN 0.897 nan 8.270 nan 0.000 0.494 559 G N 0.387 109.199 108.800 0.019 0.000 2.399 559 G HA2 0.050 4.010 3.960 -0.000 0.000 0.256 559 G HA3 0.050 4.010 3.960 -0.000 0.000 0.256 559 G C -0.966 173.935 174.900 0.001 0.000 1.236 559 G CA -0.268 44.847 45.100 0.025 0.000 0.914 559 G HN 0.413 nan 8.290 nan 0.000 0.482 560 S N -0.148 115.555 115.700 0.005 0.000 2.600 560 S HA 0.473 4.943 4.470 -0.000 0.000 0.265 560 S C 1.520 176.117 174.600 -0.006 0.000 1.325 560 S CA 0.850 59.053 58.200 0.005 0.000 1.002 560 S CB 1.435 64.639 63.200 0.007 0.000 0.921 560 S HN 1.064 nan 8.310 nan 0.000 0.554 561 S N 0.812 116.513 115.700 0.002 0.000 2.387 561 S HA -0.205 4.265 4.470 -0.000 0.000 0.230 561 S C 1.937 176.534 174.600 -0.005 0.000 1.035 561 S CA 1.737 59.938 58.200 0.002 0.000 1.014 561 S CB -0.649 62.557 63.200 0.010 0.000 0.836 561 S HN 0.818 nan 8.310 nan 0.000 0.466 562 Q N 1.014 120.812 119.800 -0.005 0.000 1.993 562 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 562 Q C 2.121 178.115 176.000 -0.009 0.000 0.984 562 Q CA 1.359 57.158 55.803 -0.006 0.000 0.837 562 Q CB -0.599 28.136 28.738 -0.005 0.000 0.902 562 Q HN 0.448 nan 8.270 nan 0.000 0.423 563 L N -0.515 120.702 121.223 -0.010 0.000 2.013 563 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 563 L C 2.126 178.986 176.870 -0.016 0.000 1.073 563 L CA 1.696 56.528 54.840 -0.013 0.000 0.753 563 L CB -0.691 41.362 42.059 -0.011 0.000 0.890 563 L HN 0.190 nan 8.230 nan 0.000 0.432 564 V N 0.021 119.921 119.914 -0.024 0.000 2.343 564 V HA -0.302 3.817 4.120 -0.000 0.000 0.247 564 V C 3.180 179.262 176.094 -0.020 0.000 1.051 564 V CA 2.403 64.683 62.300 -0.033 0.000 1.036 564 V CB -1.230 30.557 31.823 -0.060 0.000 0.654 564 V HN 0.647 nan 8.190 nan 0.000 0.451 565 R N 0.097 120.589 120.500 -0.013 0.000 2.093 565 R HA -0.091 4.249 4.340 -0.000 0.000 0.224 565 R C 2.036 178.331 176.300 -0.008 0.000 1.101 565 R CA 2.067 58.163 56.100 -0.007 0.000 0.979 565 R CB -1.958 28.340 30.300 -0.004 0.000 0.877 565 R HN 0.713 nan 8.270 nan 0.000 0.441 566 D N 0.724 121.119 120.400 -0.009 0.000 2.144 566 D HA 0.016 4.656 4.640 -0.000 0.000 0.199 566 D C 2.012 178.306 176.300 -0.010 0.000 0.984 566 D CA 1.343 55.338 54.000 -0.009 0.000 0.834 566 D CB -0.244 40.549 40.800 -0.010 0.000 0.955 566 D HN 0.549 nan 8.370 nan 0.000 0.465 567 I N -0.202 120.362 120.570 -0.011 0.000 2.202 567 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 567 I C 2.935 179.046 176.117 -0.009 0.000 1.091 567 I CA 1.106 62.400 61.300 -0.010 0.000 1.368 567 I CB -0.315 37.680 38.000 -0.009 0.000 1.058 567 I HN 0.223 nan 8.210 nan 0.000 0.410 568 Q N 0.382 120.176 119.800 -0.009 0.000 2.197 568 Q HA -0.242 4.098 4.340 -0.000 0.000 0.207 568 Q C 2.442 178.438 176.000 -0.006 0.000 0.984 568 Q CA 1.914 57.713 55.803 -0.007 0.000 0.869 568 Q CB -0.061 28.674 28.738 -0.005 0.000 0.906 568 Q HN 0.289 nan 8.270 nan 0.000 0.426 569 K N -0.549 119.848 120.400 -0.006 0.000 2.076 569 K HA 0.064 4.383 4.320 -0.000 0.000 0.204 569 K C 1.966 178.562 176.600 -0.006 0.000 1.051 569 K CA 0.889 57.173 56.287 -0.006 0.000 0.949 569 K CB -0.388 32.108 32.500 -0.006 0.000 0.726 569 K HN 0.406 nan 8.250 nan 0.000 0.443 570 A N 0.455 123.270 122.820 -0.007 0.000 2.119 570 A HA 0.350 4.670 4.320 -0.000 0.000 0.216 570 A C 1.544 179.124 177.584 -0.007 0.000 1.152 570 A CA 0.907 52.940 52.037 -0.007 0.000 0.708 570 A CB -0.222 18.773 19.000 -0.008 0.000 0.805 570 A HN 0.378 nan 8.150 nan 0.000 0.460 571 A N 0.614 123.430 122.820 -0.007 0.000 2.923 571 A HA 0.459 4.779 4.320 -0.000 0.000 0.306 571 A C 0.224 177.804 177.584 -0.007 0.000 1.542 571 A CA -0.295 51.738 52.037 -0.007 0.000 1.225 571 A CB -0.517 18.478 19.000 -0.008 0.000 1.147 571 A HN 0.094 nan 8.150 nan 0.000 0.542 572 K N 1.163 121.560 120.400 -0.006 0.000 2.258 572 K HA 0.558 4.878 4.320 -0.000 0.000 0.284 572 K C 1.262 177.859 176.600 -0.006 0.000 1.051 572 K CA 0.731 57.014 56.287 -0.006 0.000 0.923 572 K CB 0.487 32.984 32.500 -0.005 0.000 1.046 572 K HN 2.080 nan 8.250 nan 0.000 0.474 573 G N 3.710 112.506 108.800 -0.007 0.000 3.211 573 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.206 573 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.206 573 G C 0.098 174.992 174.900 -0.011 0.000 1.418 573 G CA -0.075 45.020 45.100 -0.007 0.000 0.958 573 G HN 0.734 nan 8.290 nan 0.000 0.567 574 I N 4.244 124.807 120.570 -0.011 0.000 2.416 574 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 574 I C -1.907 174.198 176.117 -0.020 0.000 1.051 574 I CA -1.798 59.492 61.300 -0.016 0.000 1.375 574 I CB 1.089 39.082 38.000 -0.013 0.000 1.407 574 I HN 0.038 nan 8.210 nan 0.000 0.516 575 P HA 0.111 nan 4.420 nan 0.000 0.266 575 P C -0.419 176.861 177.300 -0.033 0.000 1.195 575 P CA -0.013 63.064 63.100 -0.038 0.000 0.768 575 P CB 0.703 32.361 31.700 -0.069 0.000 0.838 579 H N -2.067 117.035 119.070 0.052 0.000 2.894 579 H HA 0.720 5.275 4.556 -0.000 0.000 0.367 579 H C 0.420 175.785 175.328 0.061 0.000 1.144 579 H CA -0.074 56.016 56.048 0.070 0.000 1.180 579 H CB 1.998 31.839 29.762 0.132 0.000 1.758 579 H HN 0.679 nan 8.280 nan 0.000 0.541 580 S N 1.377 117.154 115.700 0.129 0.000 2.556 580 S HA 0.122 4.592 4.470 -0.000 0.000 0.216 580 S C 0.118 174.813 174.600 0.157 0.000 0.970 580 S CA 0.276 58.525 58.200 0.081 0.000 0.912 580 S CB -0.523 62.701 63.200 0.041 0.000 0.790 580 S HN 0.858 nan 8.310 nan 0.000 0.504 581 E N -1.199 119.154 120.200 0.255 0.000 2.375 581 E HA 0.563 4.913 4.350 -0.000 0.000 0.280 581 E C -0.736 175.910 176.600 0.077 0.000 0.972 581 E CA -1.248 55.241 56.400 0.147 0.000 0.782 581 E CB 0.792 30.536 29.700 0.072 0.000 1.229 581 E HN 0.093 nan 8.360 nan 0.000 0.439 582 G N 2.755 111.520 108.800 -0.058 0.000 4.713 582 G HA2 0.424 4.383 3.960 -0.000 0.000 0.318 582 G HA3 0.424 4.383 3.960 -0.000 0.000 0.318 582 G C -0.628 174.174 174.900 -0.163 0.000 1.435 582 G CA -0.475 44.476 45.100 -0.249 0.000 0.965 582 G HN 0.446 nan 8.290 nan 0.000 0.542 583 I N 1.595 122.126 120.570 -0.064 0.000 2.294 583 I HA 0.220 4.390 4.170 -0.000 0.000 0.295 583 I C 0.065 176.154 176.117 -0.046 0.000 1.098 583 I CA -0.336 60.926 61.300 -0.062 0.000 1.277 583 I CB 0.623 38.624 38.000 0.002 0.000 1.434 583 I HN 0.153 nan 8.210 nan 0.000 0.498 584 C N 4.730 123.957 119.300 -0.121 0.000 2.411 584 C HA 0.603 5.063 4.460 -0.000 0.000 0.330 584 C C 0.225 175.152 174.990 -0.105 0.000 1.224 584 C CA -0.581 58.418 59.018 -0.032 0.000 1.770 584 C CB 0.630 28.338 27.740 -0.054 0.000 2.297 584 C HN 0.663 nan 8.230 nan 0.000 0.507 588 V N 6.287 125.977 119.914 -0.374 0.000 2.339 588 V HA 0.181 4.301 4.120 -0.000 0.000 0.261 588 V C 0.207 175.850 176.094 -0.751 0.000 1.058 588 V CA -0.192 61.853 62.300 -0.425 0.000 0.897 588 V CB 0.712 32.442 31.823 -0.155 0.000 1.052 588 V HN 0.779 nan 8.190 nan 0.000 0.480 589 D N 3.429 123.287 120.400 -0.902 0.000 2.357 589 D HA 0.098 4.738 4.640 -0.000 0.000 0.242 589 D C 1.571 177.650 176.300 -0.368 0.000 1.153 589 D CA 0.598 54.156 54.000 -0.737 0.000 0.918 589 D CB 1.417 41.928 40.800 -0.483 0.000 1.181 589 D HN 0.541 nan 8.370 nan 0.000 0.435 590 S N 1.684 117.130 115.700 -0.423 0.000 2.420 590 S HA -0.193 4.277 4.470 -0.000 0.000 0.237 590 S C 1.065 175.508 174.600 -0.262 0.000 1.023 590 S CA 0.892 58.807 58.200 -0.474 0.000 0.991 590 S CB -0.167 62.485 63.200 -0.913 0.000 0.792 590 S HN 0.543 nan 8.310 nan 0.000 0.488 591 E N 1.687 121.760 120.200 -0.212 0.000 2.403 591 E HA 0.472 4.822 4.350 -0.000 0.000 0.188 591 E C 0.410 176.961 176.600 -0.083 0.000 1.056 591 E CA 0.143 56.470 56.400 -0.121 0.000 0.892 591 E CB 0.048 29.695 29.700 -0.088 0.000 1.049 591 E HN 0.672 nan 8.360 nan 0.000 0.465 592 A N 1.192 123.946 122.820 -0.110 0.000 2.462 592 A HA 0.132 4.452 4.320 -0.000 0.000 0.243 592 A C 0.605 178.164 177.584 -0.042 0.000 1.076 592 A CA -0.027 51.965 52.037 -0.074 0.000 0.773 592 A CB 0.399 19.335 19.000 -0.107 0.000 1.010 592 A HN 0.081 nan 8.150 nan 0.000 0.493 593 S N 1.798 117.486 115.700 -0.019 0.000 2.505 593 S HA 0.145 4.615 4.470 -0.000 0.000 0.276 593 S C 1.113 175.702 174.600 -0.019 0.000 1.274 593 S CA -0.055 58.136 58.200 -0.016 0.000 1.053 593 S CB 0.744 63.938 63.200 -0.010 0.000 0.919 593 S HN 1.317 nan 8.310 nan 0.000 0.490 594 V N 4.678 124.582 119.914 -0.017 0.000 2.568 594 V HA -0.109 4.011 4.120 -0.000 0.000 0.253 594 V C 1.493 177.580 176.094 -0.013 0.000 1.072 594 V CA 2.293 64.585 62.300 -0.013 0.000 1.084 594 V CB -0.475 31.342 31.823 -0.009 0.000 0.676 594 V HN 0.910 nan 8.190 nan 0.000 0.469 595 D N -0.553 119.840 120.400 -0.013 0.000 2.317 595 D HA -0.065 4.575 4.640 -0.000 0.000 0.211 595 D C 1.985 178.277 176.300 -0.013 0.000 0.966 595 D CA 0.928 54.920 54.000 -0.013 0.000 0.876 595 D CB 0.149 40.941 40.800 -0.014 0.000 0.927 595 D HN 0.539 nan 8.370 nan 0.000 0.519 596 K N -0.166 120.226 120.400 -0.013 0.000 2.365 596 K HA 0.101 4.421 4.320 -0.000 0.000 0.195 596 K C 2.063 178.661 176.600 -0.004 0.000 1.079 596 K CA -0.004 56.277 56.287 -0.010 0.000 0.979 596 K CB 0.867 33.359 32.500 -0.014 0.000 0.929 596 K HN -0.130 nan 8.250 nan 0.000 0.523 597 V N 1.683 121.590 119.914 -0.011 0.000 2.295 597 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 597 V C 2.053 178.140 176.094 -0.012 0.000 1.049 597 V CA 2.230 64.522 62.300 -0.014 0.000 1.024 597 V CB -0.637 31.171 31.823 -0.026 0.000 0.648 597 V HN 0.343 nan 8.190 nan 0.000 0.447 598 T N 1.124 115.667 114.554 -0.018 0.000 2.684 598 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 598 T C 1.948 176.643 174.700 -0.008 0.000 1.036 598 T CA 2.035 64.122 62.100 -0.023 0.000 1.148 598 T CB -0.364 68.487 68.868 -0.028 0.000 0.863 598 T HN 0.668 nan 8.240 nan 0.000 0.436 599 R N 1.308 121.809 120.500 0.001 0.000 2.096 599 R HA 0.022 4.361 4.340 -0.000 0.000 0.235 599 R C 2.323 178.640 176.300 0.029 0.000 1.127 599 R CA 1.289 57.397 56.100 0.013 0.000 0.968 599 R CB -0.906 29.403 30.300 0.016 0.000 0.861 599 R HN 0.329 nan 8.270 nan 0.000 0.440 600 L N 1.121 122.365 121.223 0.036 0.000 2.056 600 L HA -0.104 4.235 4.340 -0.000 0.000 0.207 600 L C 2.543 179.447 176.870 0.057 0.000 1.078 600 L CA 0.833 55.711 54.840 0.063 0.000 0.749 600 L CB -0.234 41.866 42.059 0.069 0.000 0.901 600 L HN 0.027 nan 8.230 nan 0.000 0.433 601 V N -0.476 119.455 119.914 0.029 0.000 2.379 601 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 601 V C 2.620 178.723 176.094 0.015 0.000 1.044 601 V CA 1.511 63.823 62.300 0.020 0.000 1.036 601 V CB -0.615 31.203 31.823 -0.009 0.000 0.664 601 V HN 0.420 nan 8.190 nan 0.000 0.453 602 R N 0.263 120.767 120.500 0.007 0.000 2.096 602 R HA -0.273 4.067 4.340 -0.000 0.000 0.240 602 R C 2.119 178.429 176.300 0.016 0.000 1.139 602 R CA 2.615 58.718 56.100 0.004 0.000 0.952 602 R CB -0.455 29.845 30.300 -0.000 0.000 0.854 602 R HN 0.626 nan 8.270 nan 0.000 0.436 603 D N -0.654 119.761 120.400 0.025 0.000 2.097 603 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 603 D C 1.765 178.083 176.300 0.030 0.000 0.984 603 D CA 1.639 55.653 54.000 0.024 0.000 0.826 603 D CB 0.078 40.893 40.800 0.025 0.000 0.973 603 D HN 0.131 nan 8.370 nan 0.000 0.460 604 S N -0.398 115.331 115.700 0.049 0.000 2.383 604 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 604 S C 1.787 176.408 174.600 0.035 0.000 1.030 604 S CA 1.409 59.643 58.200 0.057 0.000 1.002 604 S CB -0.215 63.034 63.200 0.082 0.000 0.829 604 S HN 0.200 nan 8.310 nan 0.000 0.467 605 K N 0.483 120.900 120.400 0.028 0.000 2.141 605 K HA 0.171 4.491 4.320 -0.000 0.000 0.202 605 K C 1.772 178.387 176.600 0.025 0.000 1.045 605 K CA 1.114 57.413 56.287 0.020 0.000 0.971 605 K CB -0.429 32.077 32.500 0.009 0.000 0.795 605 K HN 0.368 nan 8.250 nan 0.000 0.459 606 C N 1.067 120.383 119.300 0.027 0.000 2.674 606 C HA 0.229 4.689 4.460 -0.000 0.000 0.276 606 C C 2.197 177.219 174.990 0.054 0.000 1.300 606 C CA -0.380 58.658 59.018 0.034 0.000 1.732 606 C CB 0.119 27.869 27.740 0.016 0.000 2.076 606 C HN 0.555 nan 8.230 nan 0.000 0.548 607 E N 0.658 120.890 120.200 0.054 0.000 2.085 607 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 607 E C -0.137 176.549 176.600 0.143 0.000 0.994 607 E CA 1.356 57.792 56.400 0.060 0.000 0.801 607 E CB 0.028 29.746 29.700 0.030 0.000 0.743 607 E HN 0.641 nan 8.360 nan 0.000 0.453 608 Y N -0.517 119.774 120.300 -0.016 0.000 2.477 608 Y HA 0.284 4.834 4.550 -0.000 0.000 0.332 608 Y C -2.387 173.512 175.900 -0.001 0.000 1.151 608 Y CA -2.902 55.193 58.100 -0.009 0.000 1.349 608 Y CB 1.113 39.565 38.460 -0.013 0.000 1.108 608 Y HN -0.131 nan 8.280 nan 0.000 0.567 609 P HA -0.113 nan 4.420 nan 0.000 0.218 609 P C 1.242 178.468 177.300 -0.124 0.000 1.148 609 P CA 2.251 65.353 63.100 0.004 0.000 0.822 609 P CB 0.307 32.041 31.700 0.056 0.000 0.784 610 A N -0.741 121.930 122.820 -0.249 0.000 2.167 610 A HA 0.323 4.643 4.320 -0.000 0.000 0.214 610 A C 1.292 178.555 177.584 -0.536 0.000 1.151 610 A CA 0.397 52.245 52.037 -0.315 0.000 0.735 610 A CB -1.123 17.795 19.000 -0.136 0.000 0.802 610 A HN 0.238 nan 8.150 nan 0.000 0.467 611 A N -1.289 121.003 122.820 -0.880 0.000 2.520 611 A HA 0.145 4.465 4.320 -0.000 0.000 0.235 611 A C 1.475 178.870 177.584 -0.315 0.000 1.065 611 A CA 0.350 52.014 52.037 -0.621 0.000 0.764 611 A CB -0.406 18.308 19.000 -0.476 0.000 1.002 611 A HN 0.799 nan 8.150 nan 0.000 0.502 612 C N 1.539 120.700 119.300 -0.232 0.000 2.419 612 C HA -0.081 4.379 4.460 -0.000 0.000 0.283 612 C C 1.846 176.535 174.990 -0.502 0.000 1.373 612 C CA 1.431 60.269 59.018 -0.300 0.000 1.781 612 C CB -1.565 26.007 27.740 -0.280 0.000 1.886 612 C HN 0.970 nan 8.230 nan 0.000 0.520 613 N N 0.826 119.316 118.700 -0.349 0.000 2.235 613 N HA 0.267 5.007 4.740 -0.000 0.000 0.209 613 N C 0.100 175.530 175.510 -0.133 0.000 1.122 613 N CA 0.508 53.392 53.050 -0.277 0.000 0.845 613 N CB -0.514 37.936 38.487 -0.062 0.000 1.004 613 N HN 0.449 nan 8.380 nan 0.000 0.499 614 A N 0.758 123.491 122.820 -0.146 0.000 2.498 614 A HA 0.275 4.595 4.320 -0.000 0.000 0.239 614 A C 0.223 177.773 177.584 -0.056 0.000 1.068 614 A CA -0.525 51.464 52.037 -0.080 0.000 0.766 614 A CB -0.097 18.848 19.000 -0.092 0.000 1.003 614 A HN 0.479 nan 8.150 nan 0.000 0.497 615 L N 1.398 122.616 121.223 -0.009 0.000 2.499 615 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 615 L C 0.797 177.676 176.870 0.015 0.000 1.195 615 L CA 1.031 55.876 54.840 0.008 0.000 0.882 615 L CB 0.101 42.181 42.059 0.035 0.000 1.133 615 L HN 0.793 nan 8.230 nan 0.000 0.483 616 E N 2.235 122.431 120.200 -0.007 0.000 2.367 616 E HA 0.188 4.538 4.350 -0.000 0.000 0.204 616 E C -0.151 176.496 176.600 0.080 0.000 0.840 616 E CA 0.457 56.896 56.400 0.065 0.000 1.051 616 E CB 0.512 30.213 29.700 0.002 0.000 1.051 616 E HN 0.670 nan 8.360 nan 0.000 0.509 617 T N 2.093 116.613 114.554 -0.057 0.000 2.840 617 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 617 T C -0.784 173.964 174.700 0.080 0.000 0.991 617 T CA -0.509 61.606 62.100 0.025 0.000 0.964 617 T CB 1.536 70.426 68.868 0.036 0.000 0.954 617 T HN -0.113 nan 8.240 nan 0.000 0.438 618 L N 5.264 126.540 121.223 0.088 0.000 2.260 618 L HA 0.528 4.868 4.340 -0.000 0.000 0.289 618 L C -0.949 175.965 176.870 0.073 0.000 1.057 618 L CA -0.315 54.574 54.840 0.081 0.000 0.811 618 L CB 0.103 42.184 42.059 0.037 0.000 1.184 618 L HN 0.579 nan 8.230 nan 0.000 0.429 619 L N 6.811 128.103 121.223 0.115 0.000 2.282 619 L HA 0.510 4.850 4.340 -0.000 0.000 0.288 619 L C -0.503 176.459 176.870 0.154 0.000 1.033 619 L CA -0.299 54.604 54.840 0.105 0.000 0.807 619 L CB 1.253 43.391 42.059 0.132 0.000 1.209 619 L HN 0.543 nan 8.230 nan 0.000 0.423 620 I N 1.726 122.335 120.570 0.064 0.000 2.465 620 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 620 I C -0.143 175.995 176.117 0.034 0.000 1.014 620 I CA -0.651 60.665 61.300 0.025 0.000 1.093 620 I CB 1.979 39.952 38.000 -0.046 0.000 1.267 620 I HN 0.526 nan 8.210 nan 0.000 0.431 621 H N 5.234 124.295 119.070 -0.015 0.000 2.848 621 H HA 0.165 4.720 4.556 -0.000 0.000 0.341 621 H C 1.205 176.439 175.328 -0.157 0.000 1.060 621 H CA 0.350 56.391 56.048 -0.012 0.000 1.444 621 H CB 0.956 30.714 29.762 -0.006 0.000 1.446 621 H HN 0.477 nan 8.280 nan 0.000 0.583 622 R N 2.315 122.640 120.500 -0.290 0.000 2.134 622 R HA -0.199 4.140 4.340 -0.000 0.000 0.248 622 R C 0.932 177.111 176.300 -0.203 0.000 1.143 622 R CA 2.113 58.016 56.100 -0.328 0.000 0.957 622 R CB -0.139 29.997 30.300 -0.273 0.000 0.867 622 R HN 0.764 nan 8.270 nan 0.000 0.441 623 D N 0.181 120.648 120.400 0.111 0.000 2.384 623 D HA -0.095 4.545 4.640 -0.000 0.000 0.222 623 D C 1.389 177.652 176.300 -0.062 0.000 0.976 623 D CA 0.905 54.923 54.000 0.030 0.000 0.915 623 D CB 0.034 40.872 40.800 0.064 0.000 0.896 623 D HN 0.297 nan 8.370 nan 0.000 0.523 624 L N -0.207 120.957 121.223 -0.098 0.000 2.640 624 L HA 0.098 4.437 4.340 -0.000 0.000 0.230 624 L C 1.954 178.656 176.870 -0.281 0.000 1.123 624 L CA -0.206 54.559 54.840 -0.124 0.000 0.900 624 L CB 0.349 42.374 42.059 -0.057 0.000 1.146 624 L HN -0.007 nan 8.230 nan 0.000 0.484 625 L N 1.016 121.961 121.223 -0.463 0.000 1.989 625 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 625 L C 2.331 178.958 176.870 -0.405 0.000 1.071 625 L CA 2.003 56.413 54.840 -0.718 0.000 0.749 625 L CB -0.876 40.788 42.059 -0.659 0.000 0.890 625 L HN 0.365 nan 8.230 nan 0.000 0.431 626 R N -0.081 120.302 120.500 -0.195 0.000 4.141 626 R HA 0.386 4.726 4.340 -0.000 0.000 0.281 626 R C 0.051 176.346 176.300 -0.008 0.000 1.608 626 R CA 0.112 56.177 56.100 -0.058 0.000 1.426 626 R CB -0.691 29.586 30.300 -0.038 0.000 1.432 626 R HN 0.194 nan 8.270 nan 0.000 0.708 627 T N 0.129 114.702 114.554 0.032 0.000 2.900 627 T HA 0.465 4.815 4.350 -0.000 0.000 0.295 627 T C -1.996 172.765 174.700 0.101 0.000 1.044 627 T CA -1.564 60.566 62.100 0.051 0.000 0.995 627 T CB 2.156 71.037 68.868 0.022 0.000 1.072 627 T HN 0.137 nan 8.240 nan 0.000 0.473 628 P HA 0.008 nan 4.420 nan 0.000 0.217 628 P C 1.706 179.039 177.300 0.055 0.000 1.150 628 P CA 0.507 63.640 63.100 0.055 0.000 0.832 628 P CB 0.134 31.852 31.700 0.030 0.000 0.787 629 L N -1.870 119.385 121.223 0.054 0.000 2.013 629 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 629 L C 2.307 179.216 176.870 0.065 0.000 1.073 629 L CA 1.768 56.633 54.840 0.043 0.000 0.753 629 L CB -0.693 41.386 42.059 0.033 0.000 0.890 629 L HN -0.121 nan 8.230 nan 0.000 0.432 630 F N 0.798 120.726 119.950 -0.036 0.000 2.146 630 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 630 F C 2.219 178.014 175.800 -0.008 0.000 1.096 630 F CA 1.892 59.869 58.000 -0.037 0.000 1.275 630 F CB -0.314 38.658 39.000 -0.046 0.000 1.008 630 F HN 0.209 nan 8.300 nan 0.000 0.480 631 D N -0.006 120.443 120.400 0.081 0.000 2.123 631 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 631 D C 2.194 178.454 176.300 -0.067 0.000 0.992 631 D CA 1.477 55.484 54.000 0.012 0.000 0.833 631 D CB -0.581 40.261 40.800 0.070 0.000 0.954 631 D HN 0.456 nan 8.370 nan 0.000 0.455 632 Q N 0.170 119.941 119.800 -0.049 0.000 2.096 632 Q HA -0.127 4.212 4.340 -0.000 0.000 0.204 632 Q C 2.505 178.446 176.000 -0.098 0.000 0.982 632 Q CA 0.860 56.629 55.803 -0.056 0.000 0.850 632 Q CB -0.079 28.639 28.738 -0.033 0.000 0.901 632 Q HN 0.364 nan 8.270 nan 0.000 0.422 633 I N 0.550 121.025 120.570 -0.158 0.000 2.127 633 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 633 I C 2.345 178.329 176.117 -0.222 0.000 1.075 633 I CA 1.275 62.452 61.300 -0.204 0.000 1.334 633 I CB -0.539 37.285 38.000 -0.293 0.000 1.040 633 I HN 0.298 nan 8.210 nan 0.000 0.405 634 I N -0.775 119.611 120.570 -0.307 0.000 2.179 634 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 634 I C 1.019 177.069 176.117 -0.112 0.000 1.088 634 I CA 1.087 62.258 61.300 -0.215 0.000 1.357 634 I CB -0.943 36.934 38.000 -0.206 0.000 1.051 634 I HN 0.029 nan 8.210 nan 0.000 0.409 638 R N 1.408 121.876 120.500 -0.053 0.000 2.070 638 R HA -0.073 4.267 4.340 -0.000 0.000 0.233 638 R C 1.749 178.027 176.300 -0.037 0.000 1.137 638 R CA 1.952 58.025 56.100 -0.046 0.000 0.945 638 R CB -1.071 29.203 30.300 -0.043 0.000 0.845 638 R HN 0.092 nan 8.270 nan 0.000 0.430 639 V N 1.845 121.738 119.914 -0.034 0.000 2.277 639 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 639 V C 2.074 178.153 176.094 -0.025 0.000 1.067 639 V CA 2.291 64.574 62.300 -0.027 0.000 1.047 639 V CB -0.554 31.254 31.823 -0.025 0.000 0.649 639 V HN 0.442 nan 8.190 nan 0.000 0.447 640 E N -0.780 119.403 120.200 -0.027 0.000 2.502 640 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 640 E C 0.711 177.297 176.600 -0.022 0.000 1.062 640 E CA 0.012 56.399 56.400 -0.022 0.000 0.867 640 E CB -0.125 29.562 29.700 -0.022 0.000 0.888 640 E HN 0.724 nan 8.360 nan 0.000 0.510 641 Q N -0.398 119.385 119.800 -0.029 0.000 2.463 641 Q HA -0.155 4.185 4.340 -0.000 0.000 0.299 641 Q C -0.963 175.015 176.000 -0.036 0.000 1.353 641 Q CA 0.155 55.940 55.803 -0.030 0.000 0.828 641 Q CB -1.559 27.168 28.738 -0.019 0.000 1.157 641 Q HN -0.012 nan 8.270 nan 0.000 0.436 642 V N 0.711 120.594 119.914 -0.051 0.000 2.370 642 V HA 0.176 4.296 4.120 -0.000 0.000 0.283 642 V C 0.387 176.416 176.094 -0.109 0.000 1.023 642 V CA -0.558 61.700 62.300 -0.071 0.000 0.857 642 V CB 1.653 33.437 31.823 -0.065 0.000 0.985 642 V HN 0.018 nan 8.190 nan 0.000 0.443 643 K N 5.583 125.895 120.400 -0.147 0.000 2.339 643 K HA 0.463 4.783 4.320 -0.000 0.000 0.286 643 K C -0.210 176.157 176.600 -0.389 0.000 1.050 643 K CA -0.132 56.010 56.287 -0.242 0.000 0.956 643 K CB 0.706 33.064 32.500 -0.237 0.000 0.990 643 K HN 0.593 nan 8.250 nan 0.000 0.475 644 I N 3.583 123.952 120.570 -0.335 0.000 2.353 644 I HA 0.243 4.413 4.170 -0.000 0.000 0.293 644 I C 0.445 176.327 176.117 -0.393 0.000 0.992 644 I CA -0.579 60.559 61.300 -0.269 0.000 1.268 644 I CB 0.731 38.704 38.000 -0.046 0.000 1.387 644 I HN 0.541 nan 8.210 nan 0.000 0.478 645 H N 5.638 124.710 119.070 0.003 0.000 2.595 645 H HA 0.484 5.040 4.556 -0.000 0.000 0.313 645 H C -0.149 175.257 175.328 0.130 0.000 1.023 645 H CA -0.602 55.476 56.048 0.051 0.000 1.218 645 H CB 1.500 31.295 29.762 0.055 0.000 1.403 645 H HN 0.701 nan 8.280 nan 0.000 0.477 646 A N 2.967 125.902 122.820 0.191 0.000 2.371 646 A HA 0.528 4.848 4.320 -0.000 0.000 0.257 646 A C 0.965 178.670 177.584 0.203 0.000 1.089 646 A CA 0.096 52.245 52.037 0.187 0.000 0.794 646 A CB 0.374 19.291 19.000 -0.138 0.000 1.029 646 A HN 0.744 nan 8.150 nan 0.000 0.488 647 G N 0.463 109.438 108.800 0.291 0.000 2.528 647 G HA2 0.483 4.443 3.960 -0.000 0.000 0.289 647 G HA3 0.483 4.443 3.960 -0.000 0.000 0.289 647 G C -1.815 173.176 174.900 0.151 0.000 1.192 647 G CA -1.245 43.978 45.100 0.206 0.000 0.921 647 G HN 0.415 nan 8.290 nan 0.000 0.512 648 P HA -0.128 nan 4.420 nan 0.000 0.216 648 P C 1.705 179.053 177.300 0.081 0.000 1.153 648 P CA 1.450 64.592 63.100 0.070 0.000 0.858 648 P CB 0.267 32.005 31.700 0.065 0.000 0.789 649 K N -0.953 119.534 120.400 0.146 0.000 2.103 649 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 649 K C 1.977 178.766 176.600 0.316 0.000 1.052 649 K CA 1.097 57.492 56.287 0.180 0.000 0.945 649 K CB -0.968 31.652 32.500 0.199 0.000 0.722 649 K HN 0.062 nan 8.250 nan 0.000 0.443 650 F N 0.141 120.175 119.950 0.140 0.000 2.259 650 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 650 F C 1.821 177.686 175.800 0.109 0.000 1.088 650 F CA 0.642 58.737 58.000 0.159 0.000 1.358 650 F CB 0.025 39.103 39.000 0.129 0.000 1.040 650 F HN 0.134 nan 8.300 nan 0.000 0.505 651 A N 0.315 123.102 122.820 -0.055 0.000 1.902 651 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 651 A C 2.277 179.756 177.584 -0.175 0.000 1.181 651 A CA 1.898 53.806 52.037 -0.216 0.000 0.623 651 A CB -1.316 17.608 19.000 -0.126 0.000 0.818 651 A HN 0.533 nan 8.150 nan 0.000 0.443 652 S N -1.481 114.155 115.700 -0.106 0.000 2.419 652 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 652 S C 1.387 175.808 174.600 -0.298 0.000 1.016 652 S CA 1.223 59.295 58.200 -0.214 0.000 0.974 652 S CB -0.750 62.289 63.200 -0.268 0.000 0.786 652 S HN 0.586 nan 8.310 nan 0.000 0.492 653 Y N 1.366 121.627 120.300 -0.064 0.000 2.496 653 Y HA 0.524 5.074 4.550 -0.000 0.000 0.313 653 Y C 0.279 176.102 175.900 -0.127 0.000 1.184 653 Y CA -0.351 57.716 58.100 -0.056 0.000 1.275 653 Y CB -0.043 38.427 38.460 0.015 0.000 1.103 653 Y HN 0.205 nan 8.280 nan 0.000 0.513 654 L N -0.852 120.267 121.223 -0.172 0.000 2.386 654 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 654 L C 1.379 178.045 176.870 -0.341 0.000 0.993 654 L CA -0.429 54.187 54.840 -0.373 0.000 0.819 654 L CB 2.020 43.604 42.059 -0.793 0.000 1.294 654 L HN -0.088 nan 8.230 nan 0.000 0.414 655 T N 1.809 116.230 114.554 -0.222 0.000 2.881 655 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 655 T C 0.593 175.288 174.700 -0.008 0.000 1.068 655 T CA 1.117 63.185 62.100 -0.054 0.000 1.131 655 T CB -0.202 68.701 68.868 0.058 0.000 0.871 655 T HN 0.367 nan 8.240 nan 0.000 0.479 662 K N -0.032 120.384 120.400 0.027 0.000 3.750 662 K HA -0.035 4.285 4.320 -0.000 0.000 0.449 662 K C 0.788 177.380 176.600 -0.012 0.000 0.345 662 K CA 1.843 58.131 56.287 0.000 0.000 1.972 662 K CB -2.271 30.216 32.500 -0.022 0.000 0.513 662 K HN 2.229 nan 8.250 nan 0.000 0.456 663 S N -0.991 114.690 115.700 -0.031 0.000 2.535 663 S HA 0.706 5.176 4.470 -0.000 0.000 0.272 663 S C -0.130 174.424 174.600 -0.076 0.000 1.149 663 S CA 0.010 58.181 58.200 -0.047 0.000 0.888 663 S CB 1.607 64.772 63.200 -0.057 0.000 1.110 663 S HN 0.780 nan 8.310 nan 0.000 0.463 664 L N 3.394 124.530 121.223 -0.146 0.000 2.592 664 L HA 0.380 4.719 4.340 -0.000 0.000 0.227 664 L C 1.119 177.928 176.870 -0.102 0.000 1.127 664 L CA 0.218 54.902 54.840 -0.260 0.000 0.884 664 L CB -0.047 41.484 42.059 -0.880 0.000 1.065 664 L HN 0.489 nan 8.230 nan 0.000 0.457 665 R N -0.285 120.208 120.500 -0.011 0.000 3.135 665 R HA 0.266 4.606 4.340 -0.000 0.000 0.343 665 R C -0.580 175.679 176.300 -0.069 0.000 1.227 665 R CA -0.099 56.028 56.100 0.045 0.000 1.227 665 R CB 0.512 30.879 30.300 0.112 0.000 1.436 665 R HN -0.060 nan 8.270 nan 0.000 0.595 666 T N 0.621 115.071 114.554 -0.173 0.000 2.792 666 T HA 0.162 4.512 4.350 -0.000 0.000 0.280 666 T C -0.568 173.881 174.700 -0.418 0.000 0.990 666 T CA -0.547 61.326 62.100 -0.379 0.000 0.960 666 T CB 2.212 70.660 68.868 -0.701 0.000 0.939 666 T HN 0.215 nan 8.240 nan 0.000 0.439 667 E N 2.487 122.496 120.200 -0.318 0.000 2.046 667 E HA 0.232 4.582 4.350 -0.000 0.000 0.279 667 E C -0.170 176.293 176.600 -0.229 0.000 0.989 667 E CA -0.420 55.850 56.400 -0.216 0.000 0.798 667 E CB 0.447 30.079 29.700 -0.114 0.000 1.086 667 E HN 0.676 nan 8.360 nan 0.000 0.399 668 Y N 2.998 123.279 120.300 -0.030 0.000 2.220 668 Y HA 0.064 4.614 4.550 -0.000 0.000 0.291 668 Y C 2.008 177.899 175.900 -0.016 0.000 1.129 668 Y CA 0.982 59.073 58.100 -0.014 0.000 1.161 668 Y CB 0.149 38.620 38.460 0.018 0.000 0.997 668 Y HN 0.845 nan 8.280 nan 0.000 0.522 669 G N 0.975 109.838 108.800 0.105 0.000 2.225 669 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.267 669 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.267 669 G C -0.581 174.349 174.900 0.050 0.000 1.024 669 G CA 0.717 45.835 45.100 0.029 0.000 0.784 669 G HN 0.549 nan 8.290 nan 0.000 0.507 670 D N -2.239 118.215 120.400 0.090 0.000 2.851 670 D HA 0.274 4.914 4.640 -0.000 0.000 0.339 670 D C 0.365 176.700 176.300 0.058 0.000 1.347 670 D CA -1.125 52.920 54.000 0.075 0.000 0.888 670 D CB -0.208 40.642 40.800 0.083 0.000 1.431 670 D HN 0.119 nan 8.370 nan 0.000 0.509 671 L N 0.269 121.513 121.223 0.035 0.000 2.650 671 L HA 0.272 4.612 4.340 -0.000 0.000 0.239 671 L C -0.018 176.826 176.870 -0.043 0.000 1.412 671 L CA 0.430 55.271 54.840 0.001 0.000 1.219 671 L CB -0.964 41.096 42.059 0.001 0.000 1.534 671 L HN 0.166 nan 8.230 nan 0.000 0.430 672 E N 1.112 121.265 120.200 -0.080 0.000 2.343 672 E HA 0.690 5.040 4.350 -0.000 0.000 0.270 672 E C -1.397 174.978 176.600 -0.375 0.000 0.895 672 E CA -0.964 55.282 56.400 -0.258 0.000 0.767 672 E CB 3.306 32.807 29.700 -0.332 0.000 1.248 672 E HN 0.001 nan 8.360 nan 0.000 0.440 673 L N 1.354 122.339 121.223 -0.396 0.000 2.526 673 L HA 0.378 4.718 4.340 -0.000 0.000 0.263 673 L C -1.571 175.266 176.870 -0.055 0.000 0.943 673 L CA -0.599 54.129 54.840 -0.186 0.000 0.859 673 L CB 1.595 43.611 42.059 -0.072 0.000 1.313 673 L HN 0.800 nan 8.230 nan 0.000 0.406 674 C N 6.377 125.757 119.300 0.132 0.000 2.482 674 C HA 0.597 5.056 4.460 -0.000 0.000 0.378 674 C C 0.216 175.314 174.990 0.181 0.000 1.284 674 C CA -0.583 58.575 59.018 0.233 0.000 1.826 674 C CB -1.178 26.750 27.740 0.313 0.000 2.473 674 C HN 0.677 nan 8.230 nan 0.000 0.562 675 I N 5.440 126.150 120.570 0.233 0.000 2.330 675 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 675 I C -0.180 176.107 176.117 0.283 0.000 1.001 675 I CA 0.140 61.563 61.300 0.204 0.000 1.193 675 I CB 1.264 39.386 38.000 0.203 0.000 1.345 675 I HN 0.690 nan 8.210 nan 0.000 0.461 676 E N 5.628 125.901 120.200 0.121 0.000 2.256 676 E HA 0.506 4.856 4.350 -0.000 0.000 0.267 676 E C -1.467 175.137 176.600 0.006 0.000 0.892 676 E CA -0.596 55.884 56.400 0.133 0.000 0.775 676 E CB 2.121 31.883 29.700 0.103 0.000 1.207 676 E HN 0.248 nan 8.360 nan 0.000 0.420 677 V N 3.862 123.818 119.914 0.069 0.000 2.686 677 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 677 V C 0.052 176.163 176.094 0.027 0.000 1.057 677 V CA -0.225 62.072 62.300 -0.004 0.000 1.012 677 V CB 1.205 33.059 31.823 0.053 0.000 1.006 677 V HN 0.626 nan 8.190 nan 0.000 0.477 678 V N 0.719 120.623 119.914 -0.016 0.000 3.141 678 V HA 0.650 4.770 4.120 -0.000 0.000 0.312 678 V C 0.148 176.161 176.094 -0.136 0.000 1.157 678 V CA -0.606 61.677 62.300 -0.029 0.000 1.041 678 V CB 2.154 33.953 31.823 -0.040 0.000 1.071 678 V HN 0.602 nan 8.190 nan 0.000 0.441 679 D N 1.169 121.489 120.400 -0.133 0.000 2.240 679 D HA 0.152 4.792 4.640 -0.000 0.000 0.206 679 D C 0.259 176.352 176.300 -0.344 0.000 0.963 679 D CA 1.858 55.730 54.000 -0.214 0.000 0.863 679 D CB 0.150 40.901 40.800 -0.081 0.000 0.973 679 D HN 0.925 nan 8.370 nan 0.000 0.501 680 N N -2.744 115.851 118.700 -0.174 0.000 3.261 680 N HA 0.041 4.781 4.740 -0.000 0.000 0.248 680 N C 0.488 175.977 175.510 -0.035 0.000 1.498 680 N CA -0.532 52.526 53.050 0.013 0.000 0.884 680 N CB 1.059 39.555 38.487 0.016 0.000 1.428 680 N HN -0.281 nan 8.380 nan 0.000 0.517 681 V N -1.270 118.665 119.914 0.036 0.000 2.324 681 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 681 V C 2.403 178.435 176.094 -0.102 0.000 1.060 681 V CA 2.348 64.598 62.300 -0.085 0.000 1.042 681 V CB -1.013 30.880 31.823 0.117 0.000 0.650 681 V HN 0.787 nan 8.190 nan 0.000 0.450 682 Q N 0.633 120.403 119.800 -0.050 0.000 2.084 682 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 682 Q C 1.908 177.863 176.000 -0.075 0.000 0.978 682 Q CA 2.206 57.995 55.803 -0.024 0.000 0.844 682 Q CB -0.690 28.036 28.738 -0.020 0.000 0.898 682 Q HN 0.662 nan 8.270 nan 0.000 0.426 683 D N -0.746 119.603 120.400 -0.086 0.000 2.104 683 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 683 D C 1.624 177.868 176.300 -0.092 0.000 0.994 683 D CA 1.678 55.639 54.000 -0.065 0.000 0.830 683 D CB -0.392 40.373 40.800 -0.057 0.000 0.959 683 D HN 0.356 nan 8.370 nan 0.000 0.452 684 A N 0.394 123.069 122.820 -0.241 0.000 1.873 684 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 684 A C 2.520 179.989 177.584 -0.192 0.000 1.193 684 A CA 1.635 53.486 52.037 -0.310 0.000 0.629 684 A CB -0.985 17.470 19.000 -0.908 0.000 0.826 684 A HN 0.345 nan 8.150 nan 0.000 0.447 685 I N -0.115 120.312 120.570 -0.239 0.000 2.163 685 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 685 I C 2.036 177.870 176.117 -0.472 0.000 1.085 685 I CA 1.739 62.785 61.300 -0.423 0.000 1.347 685 I CB -0.568 37.218 38.000 -0.357 0.000 1.044 685 I HN 0.285 nan 8.210 nan 0.000 0.408 686 D N -0.386 119.876 120.400 -0.231 0.000 2.104 686 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 686 D C 1.982 178.235 176.300 -0.077 0.000 0.994 686 D CA 1.647 55.572 54.000 -0.126 0.000 0.830 686 D CB -0.480 40.292 40.800 -0.047 0.000 0.959 686 D HN 0.493 nan 8.370 nan 0.000 0.452 687 H N 0.180 119.189 119.070 -0.102 0.000 2.321 687 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 687 H C 2.248 177.529 175.328 -0.078 0.000 1.087 687 H CA 1.386 57.449 56.048 0.025 0.000 1.319 687 H CB -0.183 29.623 29.762 0.073 0.000 1.379 687 H HN 0.053 nan 8.280 nan 0.000 0.501 688 I N -0.208 120.302 120.570 -0.100 0.000 2.208 688 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 688 I C 2.082 178.163 176.117 -0.059 0.000 1.097 688 I CA 1.742 62.863 61.300 -0.299 0.000 1.363 688 I CB -0.416 37.395 38.000 -0.316 0.000 1.051 688 I HN 0.498 nan 8.210 nan 0.000 0.413 689 H N 0.014 119.006 119.070 -0.129 0.000 2.357 689 H HA -0.160 4.395 4.556 -0.000 0.000 0.301 689 H C 2.300 177.534 175.328 -0.156 0.000 1.082 689 H CA 1.039 57.015 56.048 -0.119 0.000 1.342 689 H CB 0.129 29.822 29.762 -0.115 0.000 1.389 689 H HN 0.209 nan 8.280 nan 0.000 0.511 690 K N 0.466 120.784 120.400 -0.137 0.000 2.025 690 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 690 K C 0.955 177.277 176.600 -0.463 0.000 1.049 690 K CA 1.557 57.594 56.287 -0.416 0.000 0.933 690 K CB 0.147 32.200 32.500 -0.745 0.000 0.714 690 K HN 0.266 nan 8.250 nan 0.000 0.438 691 Y N -0.508 119.742 120.300 -0.084 0.000 2.498 691 Y HA 0.296 4.846 4.550 -0.000 0.000 0.259 691 Y C 1.230 177.212 175.900 0.136 0.000 1.086 691 Y CA -0.046 58.046 58.100 -0.013 0.000 1.287 691 Y CB 0.134 38.539 38.460 -0.092 0.000 1.146 691 Y HN 0.034 nan 8.280 nan 0.000 0.523 692 G N -0.018 108.975 108.800 0.322 0.000 2.599 692 G HA2 0.298 4.258 3.960 -0.000 0.000 0.264 692 G HA3 0.298 4.258 3.960 -0.000 0.000 0.264 692 G C 0.642 175.662 174.900 0.200 0.000 1.200 692 G CA 0.081 45.410 45.100 0.383 0.000 0.896 692 G HN 0.224 nan 8.290 nan 0.000 0.536 693 S N -1.881 113.926 115.700 0.178 0.000 2.572 693 S HA 0.282 4.752 4.470 -0.000 0.000 0.228 693 S C 0.992 175.670 174.600 0.129 0.000 0.963 693 S CA 0.680 58.957 58.200 0.128 0.000 0.939 693 S CB 0.303 63.569 63.200 0.111 0.000 0.804 693 S HN 1.218 nan 8.310 nan 0.000 0.480 694 S N 0.785 116.565 115.700 0.133 0.000 3.635 694 S HA -0.229 4.241 4.470 -0.000 0.000 0.328 694 S C 0.651 175.309 174.600 0.098 0.000 1.135 694 S CA 0.994 59.250 58.200 0.093 0.000 0.942 694 S CB -1.719 61.506 63.200 0.040 0.000 0.930 694 S HN 0.902 nan 8.310 nan 0.000 0.512 695 H N 0.317 119.399 119.070 0.020 0.000 2.296 695 H HA 0.334 4.890 4.556 -0.000 0.000 0.328 695 H C 0.487 175.792 175.328 -0.039 0.000 1.162 695 H CA 1.595 57.629 56.048 -0.024 0.000 1.717 695 H CB 0.203 29.922 29.762 -0.071 0.000 1.514 695 H HN 0.419 nan 8.280 nan 0.000 0.621 696 T N 2.731 117.450 114.554 0.274 0.000 2.879 696 T HA 0.373 4.723 4.350 -0.000 0.000 0.290 696 T C -1.275 173.439 174.700 0.023 0.000 0.993 696 T CA -0.826 61.296 62.100 0.037 0.000 0.975 696 T CB 2.055 70.938 68.868 0.025 0.000 0.981 696 T HN 0.272 nan 8.240 nan 0.000 0.439 697 D N 1.781 122.176 120.400 -0.008 0.000 2.857 697 D HA 0.562 5.202 4.640 -0.000 0.000 0.227 697 D C -1.040 175.431 176.300 0.284 0.000 1.192 697 D CA -0.323 53.790 54.000 0.189 0.000 0.857 697 D CB 2.990 43.937 40.800 0.245 0.000 1.645 697 D HN 0.232 nan 8.370 nan 0.000 0.482 698 V N 1.965 122.104 119.914 0.375 0.000 2.789 698 V HA 0.486 4.606 4.120 -0.000 0.000 0.311 698 V C -0.243 175.891 176.094 0.066 0.000 1.073 698 V CA -0.878 61.614 62.300 0.319 0.000 0.921 698 V CB 2.647 34.638 31.823 0.279 0.000 1.009 698 V HN 0.494 nan 8.190 nan 0.000 0.426 699 I N 3.606 124.052 120.570 -0.207 0.000 2.404 699 I HA 0.620 4.790 4.170 -0.000 0.000 0.293 699 I C -0.962 175.123 176.117 -0.055 0.000 0.992 699 I CA -0.565 60.444 61.300 -0.485 0.000 1.149 699 I CB 1.669 39.040 38.000 -1.048 0.000 1.315 699 I HN 0.412 nan 8.210 nan 0.000 0.446 700 V N 6.489 126.337 119.914 -0.110 0.000 2.347 700 V HA 0.594 4.714 4.120 -0.000 0.000 0.280 700 V C -0.055 176.000 176.094 -0.064 0.000 1.021 700 V CA -0.211 62.086 62.300 -0.005 0.000 0.847 700 V CB 1.000 32.804 31.823 -0.032 0.000 0.990 700 V HN 0.839 nan 8.190 nan 0.000 0.444 701 T N 2.646 117.271 114.554 0.118 0.000 2.886 701 T HA 0.316 4.666 4.350 -0.000 0.000 0.330 701 T C -0.020 174.841 174.700 0.269 0.000 1.488 701 T CA -0.387 61.759 62.100 0.077 0.000 1.054 701 T CB 2.114 70.947 68.868 -0.059 0.000 1.348 701 T HN 0.595 nan 8.240 nan 0.000 0.489 702 E N 0.998 121.284 120.200 0.143 0.000 2.452 702 E HA 0.095 4.445 4.350 -0.000 0.000 0.197 702 E C 0.170 176.879 176.600 0.181 0.000 1.022 702 E CA 0.115 56.625 56.400 0.182 0.000 0.890 702 E CB 0.293 30.041 29.700 0.080 0.000 0.918 702 E HN 0.596 nan 8.360 nan 0.000 0.496 703 D N 1.795 122.241 120.400 0.077 0.000 2.352 703 D HA -0.039 4.601 4.640 -0.000 0.000 0.245 703 D C 0.968 177.226 176.300 -0.070 0.000 1.224 703 D CA 0.103 54.110 54.000 0.012 0.000 0.879 703 D CB 0.885 41.660 40.800 -0.041 0.000 1.057 703 D HN 0.072 nan 8.370 nan 0.000 0.491 704 E N 3.677 123.873 120.200 -0.006 0.000 2.085 704 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 704 E C 1.123 177.589 176.600 -0.223 0.000 0.994 704 E CA 1.065 57.376 56.400 -0.149 0.000 0.801 704 E CB 0.256 30.019 29.700 0.105 0.000 0.743 704 E HN 0.465 nan 8.360 nan 0.000 0.453 705 N N -0.071 118.576 118.700 -0.090 0.000 2.104 705 N HA -0.129 4.611 4.740 -0.000 0.000 0.190 705 N C 1.873 177.359 175.510 -0.040 0.000 1.024 705 N CA 1.874 54.897 53.050 -0.046 0.000 0.853 705 N CB -0.693 37.783 38.487 -0.020 0.000 1.008 705 N HN 0.198 nan 8.380 nan 0.000 0.424 706 T N 1.374 115.877 114.554 -0.084 0.000 2.708 706 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 706 T C 2.053 176.728 174.700 -0.041 0.000 1.037 706 T CA 1.427 63.506 62.100 -0.034 0.000 1.146 706 T CB -0.401 68.438 68.868 -0.048 0.000 0.865 706 T HN 0.344 nan 8.240 nan 0.000 0.435 707 A N 1.883 124.482 122.820 -0.369 0.000 1.883 707 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 707 A C 2.311 179.702 177.584 -0.322 0.000 1.186 707 A CA 1.472 53.090 52.037 -0.699 0.000 0.624 707 A CB -0.457 17.261 19.000 -2.137 0.000 0.822 707 A HN 0.348 nan 8.150 nan 0.000 0.444 708 E N -1.215 118.827 120.200 -0.264 0.000 2.150 708 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 708 E C 1.713 178.382 176.600 0.114 0.000 0.985 708 E CA 0.773 57.145 56.400 -0.046 0.000 0.814 708 E CB -0.438 29.245 29.700 -0.027 0.000 0.752 708 E HN 0.702 nan 8.360 nan 0.000 0.466 709 F N 0.718 120.695 119.950 0.045 0.000 2.075 709 F HA -0.222 4.305 4.527 -0.000 0.000 0.297 709 F C 2.216 178.179 175.800 0.271 0.000 1.113 709 F CA 1.348 59.448 58.000 0.166 0.000 1.218 709 F CB -0.408 38.637 39.000 0.074 0.000 0.984 709 F HN -0.015 nan 8.300 nan 0.000 0.472 710 F N 0.058 120.135 119.950 0.211 0.000 2.095 710 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 710 F C 1.912 177.743 175.800 0.052 0.000 1.104 710 F CA 1.316 59.388 58.000 0.119 0.000 1.232 710 F CB -0.440 38.641 39.000 0.135 0.000 0.987 710 F HN -0.054 nan 8.300 nan 0.000 0.475 711 L N 0.430 121.826 121.223 0.288 0.000 2.083 711 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 711 L C 2.753 179.625 176.870 0.002 0.000 1.083 711 L CA 1.903 56.848 54.840 0.176 0.000 0.752 711 L CB -1.736 40.431 42.059 0.180 0.000 0.899 711 L HN 0.311 nan 8.230 nan 0.000 0.433 712 Q N -1.696 118.059 119.800 -0.074 0.000 2.137 712 Q HA -0.145 4.195 4.340 -0.000 0.000 0.198 712 Q C 2.087 177.837 176.000 -0.416 0.000 0.960 712 Q CA 1.602 57.253 55.803 -0.253 0.000 0.847 712 Q CB -0.296 28.236 28.738 -0.343 0.000 0.915 712 Q HN 0.774 nan 8.270 nan 0.000 0.448 713 H N -1.410 117.474 119.070 -0.311 0.000 2.595 713 H HA 0.386 4.942 4.556 -0.000 0.000 0.265 713 H C 0.358 175.586 175.328 -0.166 0.000 0.953 713 H CA 0.404 56.271 56.048 -0.301 0.000 1.197 713 H CB 0.817 30.275 29.762 -0.507 0.000 1.438 713 H HN 0.175 nan 8.280 nan 0.000 0.531 714 V N 2.317 122.118 119.914 -0.188 0.000 2.508 714 V HA -0.038 4.082 4.120 -0.000 0.000 0.281 714 V C 0.356 176.468 176.094 0.030 0.000 1.041 714 V CA 0.151 62.378 62.300 -0.123 0.000 1.016 714 V CB 1.117 32.607 31.823 -0.554 0.000 0.984 714 V HN 0.380 nan 8.190 nan 0.000 0.478 715 D N 2.205 122.693 120.400 0.147 0.000 2.336 715 D HA 0.088 4.728 4.640 -0.000 0.000 0.228 715 D C 0.870 177.149 176.300 -0.035 0.000 1.120 715 D CA 0.220 54.183 54.000 -0.062 0.000 0.839 715 D CB 0.331 40.966 40.800 -0.276 0.000 0.932 715 D HN 0.498 nan 8.370 nan 0.000 0.509 716 S N 0.148 115.854 115.700 0.012 0.000 2.593 716 S HA 0.314 4.784 4.470 -0.000 0.000 0.269 716 S C 1.631 176.239 174.600 0.014 0.000 1.334 716 S CA -0.245 57.968 58.200 0.023 0.000 1.015 716 S CB 1.688 64.917 63.200 0.049 0.000 0.912 716 S HN 0.238 nan 8.310 nan 0.000 0.541 717 A N 0.599 123.422 122.820 0.005 0.000 1.917 717 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 717 A C 0.874 178.501 177.584 0.071 0.000 1.182 717 A CA 1.024 53.068 52.037 0.013 0.000 0.633 717 A CB -0.619 18.357 19.000 -0.040 0.000 0.819 717 A HN 0.745 nan 8.150 nan 0.000 0.448 718 C N -0.336 118.999 119.300 0.058 0.000 2.364 718 C HA 0.621 5.081 4.460 -0.000 0.000 0.324 718 C C -0.441 174.531 174.990 -0.030 0.000 1.234 718 C CA -0.877 58.214 59.018 0.121 0.000 1.417 718 C CB 0.874 28.703 27.740 0.148 0.000 2.101 718 C HN 0.259 nan 8.230 nan 0.000 0.466 719 V N 4.448 124.446 119.914 0.140 0.000 2.444 719 V HA 0.627 4.747 4.120 -0.000 0.000 0.294 719 V C -0.761 175.643 176.094 0.516 0.000 1.022 719 V CA -0.346 62.073 62.300 0.198 0.000 0.850 719 V CB 1.138 33.079 31.823 0.196 0.000 0.992 719 V HN 0.626 nan 8.190 nan 0.000 0.426 720 F N 2.655 122.809 119.950 0.339 0.000 2.538 720 F HA 0.654 5.181 4.527 -0.000 0.000 0.325 720 F C -0.511 175.503 175.800 0.356 0.000 1.066 720 F CA -2.010 56.167 58.000 0.296 0.000 0.946 720 F CB 1.810 40.971 39.000 0.268 0.000 1.199 720 F HN 0.642 nan 8.300 nan 0.000 0.473 721 W N 4.312 125.774 121.300 0.271 0.000 2.475 721 W HA 0.416 5.076 4.660 -0.000 0.000 0.320 721 W C -0.354 176.210 176.519 0.076 0.000 1.022 721 W CA -1.732 55.691 57.345 0.131 0.000 1.240 721 W CB 0.613 30.132 29.460 0.098 0.000 1.328 721 W HN 0.582 nan 8.180 nan 0.000 0.439 722 N N 2.881 121.701 118.700 0.201 0.000 2.740 722 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 722 N C -0.986 174.511 175.510 -0.022 0.000 1.062 722 N CA 1.620 54.659 53.050 -0.019 0.000 0.704 722 N CB -1.439 36.856 38.487 -0.320 0.000 0.968 722 N HN 0.635 nan 8.380 nan 0.000 0.547 723 A N -1.107 121.786 122.820 0.123 0.000 2.515 723 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 723 A C 0.216 178.049 177.584 0.415 0.000 1.059 723 A CA -0.116 52.021 52.037 0.167 0.000 0.698 723 A CB 1.597 20.537 19.000 -0.100 0.000 1.289 723 A HN 0.266 nan 8.150 nan 0.000 0.404 724 S N 0.169 116.171 115.700 0.502 0.000 2.563 724 S HA 0.206 4.676 4.470 -0.000 0.000 0.284 724 S C 1.746 176.697 174.600 0.584 0.000 1.331 724 S CA 0.604 59.057 58.200 0.421 0.000 1.047 724 S CB 0.314 63.653 63.200 0.232 0.000 0.859 724 S HN 1.675 nan 8.310 nan 0.000 0.514 725 T N 2.678 117.462 114.554 0.383 0.000 2.897 725 T HA -0.080 4.269 4.350 -0.000 0.000 0.271 725 T C 1.560 176.469 174.700 0.350 0.000 1.084 725 T CA 0.766 63.059 62.100 0.323 0.000 1.123 725 T CB -0.246 68.700 68.868 0.131 0.000 0.865 725 T HN 0.606 nan 8.240 nan 0.000 0.496 726 R N -0.179 120.448 120.500 0.212 0.000 2.307 726 R HA 0.189 4.529 4.340 -0.000 0.000 0.199 726 R C 1.460 177.775 176.300 0.025 0.000 1.000 726 R CA 0.239 56.367 56.100 0.045 0.000 1.023 726 R CB -0.717 29.526 30.300 -0.094 0.000 0.908 726 R HN 0.489 nan 8.270 nan 0.000 0.473 727 F N 1.300 121.453 119.950 0.338 0.000 2.502 727 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 727 F C 1.208 177.131 175.800 0.205 0.000 1.111 727 F CA 0.463 58.613 58.000 0.251 0.000 1.445 727 F CB -0.229 38.818 39.000 0.079 0.000 1.081 727 F HN -0.167 nan 8.300 nan 0.000 0.558 728 S N 0.590 116.558 115.700 0.447 0.000 2.465 728 S HA 0.290 4.760 4.470 -0.000 0.000 0.307 728 S C -0.538 173.909 174.600 -0.255 0.000 1.187 728 S CA -0.496 57.666 58.200 -0.064 0.000 1.141 728 S CB 0.274 63.590 63.200 0.194 0.000 1.108 728 S HN 0.364 nan 8.310 nan 0.000 0.525 729 D N 1.137 121.192 120.400 -0.575 0.000 2.745 729 D HA 0.447 5.087 4.640 -0.000 0.000 0.221 729 D C 0.986 177.125 176.300 -0.270 0.000 1.237 729 D CA -0.172 53.686 54.000 -0.237 0.000 0.781 729 D CB 0.396 41.182 40.800 -0.023 0.000 1.575 729 D HN 0.283 nan 8.370 nan 0.000 0.482 730 G N 1.163 109.916 108.800 -0.078 0.000 2.421 730 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 730 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 730 G C 1.203 176.172 174.900 0.116 0.000 1.171 730 G CA 1.205 46.327 45.100 0.036 0.000 0.775 730 G HN 0.567 nan 8.290 nan 0.000 0.543 731 Y N 1.709 122.037 120.300 0.047 0.000 2.128 731 Y HA -0.114 4.436 4.550 -0.000 0.000 0.284 731 Y C 3.026 178.998 175.900 0.120 0.000 1.154 731 Y CA 1.974 60.117 58.100 0.071 0.000 1.149 731 Y CB -0.206 38.283 38.460 0.048 0.000 0.976 731 Y HN 0.076 nan 8.280 nan 0.000 0.505 732 R N -1.145 119.393 120.500 0.063 0.000 2.127 732 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 732 R C 1.722 178.143 176.300 0.201 0.000 1.134 732 R CA 1.365 57.528 56.100 0.105 0.000 0.975 732 R CB -0.541 29.948 30.300 0.315 0.000 0.865 732 R HN 0.299 nan 8.270 nan 0.000 0.447 733 F N -0.061 119.872 119.950 -0.028 0.000 2.802 733 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 733 F C 1.615 177.362 175.800 -0.088 0.000 1.168 733 F CA 0.681 58.657 58.000 -0.040 0.000 1.433 733 F CB -0.163 38.852 39.000 0.024 0.000 1.115 733 F HN 0.282 nan 8.300 nan 0.000 0.582 734 G N 0.236 109.047 108.800 0.017 0.000 2.132 734 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.234 734 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.234 734 G C 0.979 175.883 174.900 0.008 0.000 0.989 734 G CA 0.341 45.408 45.100 -0.056 0.000 0.676 734 G HN 0.404 nan 8.290 nan 0.000 0.522 735 L N -0.250 121.010 121.223 0.063 0.000 2.592 735 L HA 0.378 4.718 4.340 -0.000 0.000 0.227 735 L C 2.418 179.342 176.870 0.090 0.000 1.127 735 L CA 0.793 55.682 54.840 0.083 0.000 0.884 735 L CB -0.260 41.868 42.059 0.114 0.000 1.065 735 L HN 0.936 nan 8.230 nan 0.000 0.457 736 G N 0.493 109.357 108.800 0.107 0.000 2.458 736 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 736 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 736 G C 0.292 175.338 174.900 0.243 0.000 1.113 736 G CA 0.283 45.498 45.100 0.191 0.000 0.655 736 G HN 0.756 nan 8.290 nan 0.000 0.513 737 A N -0.830 122.089 122.820 0.165 0.000 2.483 737 A HA 0.737 5.056 4.320 -0.000 0.000 0.294 737 A C -0.825 176.814 177.584 0.092 0.000 1.077 737 A CA 0.556 52.671 52.037 0.131 0.000 0.633 737 A CB 0.468 19.517 19.000 0.082 0.000 1.318 737 A HN 1.664 nan 8.150 nan 0.000 0.455 738 E N -0.727 119.512 120.200 0.064 0.000 2.367 738 E HA 0.574 4.924 4.350 -0.000 0.000 0.273 738 E C 0.078 176.696 176.600 0.030 0.000 0.903 738 E CA -0.388 56.041 56.400 0.050 0.000 0.764 738 E CB 1.799 31.525 29.700 0.043 0.000 1.252 738 E HN 1.325 nan 8.360 nan 0.000 0.446 739 V N -0.989 118.944 119.914 0.031 0.000 3.406 739 V HA 0.486 4.606 4.120 -0.000 0.000 0.263 739 V C 0.680 176.789 176.094 0.024 0.000 1.172 739 V CA 1.225 63.534 62.300 0.015 0.000 1.140 739 V CB -0.681 31.155 31.823 0.021 0.000 0.784 739 V HN 0.910 nan 8.190 nan 0.000 0.467 740 G N -0.502 108.326 108.800 0.047 0.000 2.341 740 G HA2 0.391 4.351 3.960 -0.000 0.000 0.293 740 G HA3 0.391 4.351 3.960 -0.000 0.000 0.293 740 G C -1.666 173.291 174.900 0.095 0.000 1.298 740 G CA -0.611 44.535 45.100 0.076 0.000 0.868 740 G HN 0.224 nan 8.290 nan 0.000 0.540 741 I N 1.213 121.886 120.570 0.171 0.000 2.406 741 I HA 0.518 4.688 4.170 -0.000 0.000 0.290 741 I C 0.271 176.493 176.117 0.175 0.000 0.999 741 I CA -0.716 60.654 61.300 0.116 0.000 1.124 741 I CB 1.925 39.930 38.000 0.008 0.000 1.289 741 I HN 0.429 nan 8.210 nan 0.000 0.441 742 S N 3.009 118.749 115.700 0.067 0.000 2.462 742 S HA 0.361 4.831 4.470 -0.000 0.000 0.294 742 S C 0.763 175.373 174.600 0.017 0.000 1.144 742 S CA -0.485 57.758 58.200 0.071 0.000 1.088 742 S CB 0.893 64.137 63.200 0.073 0.000 1.009 742 S HN 0.750 nan 8.310 nan 0.000 0.484 743 T N 0.806 115.391 114.554 0.052 0.000 3.092 743 T HA 0.239 4.589 4.350 -0.000 0.000 0.258 743 T C 0.780 175.500 174.700 0.033 0.000 1.031 743 T CA -0.244 61.873 62.100 0.028 0.000 0.925 743 T CB 0.011 68.922 68.868 0.072 0.000 1.036 743 T HN 0.478 nan 8.240 nan 0.000 0.544 744 S N 1.020 116.744 115.700 0.041 0.000 2.579 744 S HA 0.224 4.694 4.470 -0.000 0.000 0.275 744 S C 1.087 175.702 174.600 0.025 0.000 1.345 744 S CA -0.642 57.580 58.200 0.037 0.000 1.031 744 S CB 0.633 63.865 63.200 0.053 0.000 0.892 744 S HN 0.481 nan 8.310 nan 0.000 0.529 745 R N 1.689 122.199 120.500 0.016 0.000 2.362 745 R HA 0.279 4.618 4.340 -0.000 0.000 0.227 745 R C 0.303 176.612 176.300 0.016 0.000 0.905 745 R CA 0.092 56.194 56.100 0.005 0.000 1.067 745 R CB -0.281 30.012 30.300 -0.013 0.000 1.078 745 R HN 0.748 nan 8.270 nan 0.000 0.516 746 I N -3.231 117.361 120.570 0.038 0.000 2.525 746 I HA 0.362 4.532 4.170 -0.000 0.000 0.301 746 I C 0.823 177.015 176.117 0.126 0.000 0.992 746 I CA -0.676 60.662 61.300 0.062 0.000 1.162 746 I CB 1.550 39.585 38.000 0.058 0.000 1.332 746 I HN 0.109 nan 8.210 nan 0.000 0.458 747 H N 3.238 122.312 119.070 0.006 0.000 4.856 747 H HA -0.274 4.281 4.556 -0.000 0.000 0.059 747 H C -0.283 175.052 175.328 0.011 0.000 0.596 747 H CA 1.784 57.837 56.048 0.009 0.000 0.946 747 H CB -1.305 28.463 29.762 0.010 0.000 0.453 747 H HN 1.302 nan 8.280 nan 0.000 0.801 748 A N 0.401 123.211 122.820 -0.017 0.000 2.488 748 A HA 0.726 5.046 4.320 -0.000 0.000 0.295 748 A C -0.811 176.788 177.584 0.026 0.000 1.045 748 A CA 0.069 52.071 52.037 -0.059 0.000 0.703 748 A CB 1.700 20.682 19.000 -0.029 0.000 1.271 748 A HN 0.530 nan 8.150 nan 0.000 0.400 749 R N 1.517 122.023 120.500 0.011 0.000 2.621 749 R HA 0.660 5.000 4.340 -0.000 0.000 0.292 749 R C 0.578 176.899 176.300 0.035 0.000 0.969 749 R CA 0.926 57.038 56.100 0.020 0.000 0.887 749 R CB 1.733 32.040 30.300 0.011 0.000 1.180 749 R HN 2.501 nan 8.270 nan 0.000 0.450 750 G N 3.429 112.234 108.800 0.009 0.000 2.632 750 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 750 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 750 G C -2.633 172.275 174.900 0.013 0.000 1.341 750 G CA -0.910 44.199 45.100 0.015 0.000 0.880 750 G HN 0.500 nan 8.290 nan 0.000 0.566 751 P HA 0.405 nan 4.420 nan 0.000 0.267 751 P C -0.075 177.263 177.300 0.064 0.000 1.205 751 P CA -0.232 62.871 63.100 0.005 0.000 0.765 751 P CB 1.075 32.722 31.700 -0.088 0.000 0.828 752 V N 4.316 124.265 119.914 0.058 0.000 2.347 752 V HA 0.541 4.660 4.120 -0.000 0.000 0.280 752 V C 1.028 177.160 176.094 0.062 0.000 1.021 752 V CA -0.084 62.254 62.300 0.064 0.000 0.847 752 V CB 0.886 32.754 31.823 0.074 0.000 0.990 752 V HN 0.713 nan 8.190 nan 0.000 0.444 753 G N 2.785 111.622 108.800 0.062 0.000 2.641 753 G HA2 0.443 4.403 3.960 -0.000 0.000 0.239 753 G HA3 0.443 4.403 3.960 -0.000 0.000 0.239 753 G C 0.808 175.738 174.900 0.049 0.000 1.402 753 G CA -0.209 44.927 45.100 0.059 0.000 1.046 753 G HN 0.797 nan 8.290 nan 0.000 0.565 754 L N -1.272 119.977 121.223 0.044 0.000 2.083 754 L HA 0.137 4.477 4.340 -0.000 0.000 0.209 754 L C 2.186 179.075 176.870 0.032 0.000 1.083 754 L CA 2.407 57.270 54.840 0.038 0.000 0.752 754 L CB -0.810 41.270 42.059 0.034 0.000 0.899 754 L HN 0.475 nan 8.230 nan 0.000 0.433 755 E N 0.707 120.919 120.200 0.020 0.000 2.160 755 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 755 E C 2.165 178.759 176.600 -0.010 0.000 0.991 755 E CA 1.407 57.807 56.400 -0.000 0.000 0.810 755 E CB -0.635 29.056 29.700 -0.015 0.000 0.742 755 E HN 0.681 nan 8.360 nan 0.000 0.466 756 G N -0.593 108.212 108.800 0.008 0.000 2.848 756 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.208 756 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.208 756 G C 0.851 175.892 174.900 0.234 0.000 1.152 756 G CA 0.008 45.130 45.100 0.038 0.000 0.789 756 G HN 0.181 nan 8.290 nan 0.000 0.531 757 L N 0.094 121.397 121.223 0.132 0.000 2.700 757 L HA 0.431 4.771 4.340 -0.000 0.000 0.234 757 L C 0.116 177.041 176.870 0.093 0.000 1.156 757 L CA -0.075 54.834 54.840 0.114 0.000 0.946 757 L CB 0.042 42.142 42.059 0.067 0.000 1.216 757 L HN 0.054 nan 8.230 nan 0.000 0.493 758 L N -1.055 120.229 121.223 0.102 0.000 2.334 758 L HA 0.550 4.890 4.340 -0.000 0.000 0.273 758 L C 0.239 177.171 176.870 0.105 0.000 1.013 758 L CA -0.118 54.762 54.840 0.067 0.000 0.816 758 L CB 2.144 44.216 42.059 0.022 0.000 1.278 758 L HN -0.145 nan 8.230 nan 0.000 0.431 759 T N -0.498 114.092 114.554 0.061 0.000 2.644 759 T HA 0.690 5.040 4.350 -0.000 0.000 0.253 759 T C -0.472 174.223 174.700 -0.009 0.000 0.910 759 T CA 0.058 62.193 62.100 0.057 0.000 1.066 759 T CB 1.799 70.704 68.868 0.061 0.000 1.484 759 T HN 0.814 nan 8.240 nan 0.000 0.560 760 T N -0.459 114.077 114.554 -0.030 0.000 2.865 760 T HA 0.751 5.101 4.350 -0.000 0.000 0.294 760 T C -1.352 173.285 174.700 -0.105 0.000 1.119 760 T CA -0.875 61.154 62.100 -0.118 0.000 1.007 760 T CB 1.903 70.630 68.868 -0.235 0.000 1.225 760 T HN 0.725 nan 8.240 nan 0.000 0.515 761 K N 0.320 120.607 120.400 -0.189 0.000 2.525 761 K HA 0.528 4.847 4.320 -0.000 0.000 0.254 761 K C -2.093 174.399 176.600 -0.179 0.000 0.934 761 K CA -0.784 55.452 56.287 -0.086 0.000 0.802 761 K CB 1.664 34.151 32.500 -0.021 0.000 1.295 761 K HN 0.705 nan 8.250 nan 0.000 0.433 762 W N 5.303 126.600 121.300 -0.005 0.000 2.361 762 W HA 0.454 5.114 4.660 -0.000 0.000 0.309 762 W C -0.700 175.814 176.519 -0.007 0.000 1.122 762 W CA -0.570 56.769 57.345 -0.009 0.000 1.208 762 W CB 0.902 30.353 29.460 -0.015 0.000 1.246 762 W HN 0.214 nan 8.180 nan 0.000 0.490 763 L N 5.130 126.470 121.223 0.195 0.000 2.313 763 L HA 0.553 4.892 4.340 -0.000 0.000 0.283 763 L C -0.754 176.186 176.870 0.116 0.000 1.013 763 L CA -1.105 53.806 54.840 0.119 0.000 0.816 763 L CB 1.131 43.225 42.059 0.059 0.000 1.236 763 L HN 0.233 nan 8.230 nan 0.000 0.419 764 L N 4.368 125.645 121.223 0.090 0.000 2.349 764 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 764 L C -0.722 176.174 176.870 0.043 0.000 0.996 764 L CA -0.136 54.741 54.840 0.061 0.000 0.825 764 L CB 1.387 43.473 42.059 0.046 0.000 1.243 764 L HN 0.489 nan 8.230 nan 0.000 0.412 765 R N 4.000 124.518 120.500 0.031 0.000 2.310 765 R HA 0.732 5.072 4.340 -0.000 0.000 0.324 765 R C -0.074 176.241 176.300 0.024 0.000 0.955 765 R CA -0.477 55.643 56.100 0.034 0.000 0.830 765 R CB 1.634 31.954 30.300 0.034 0.000 1.154 765 R HN 0.849 nan 8.270 nan 0.000 0.458 766 G N 0.041 108.877 108.800 0.061 0.000 3.175 766 G HA2 0.191 4.151 3.960 -0.000 0.000 0.255 766 G HA3 0.191 4.151 3.960 -0.000 0.000 0.255 766 G C -0.185 174.855 174.900 0.234 0.000 1.352 766 G CA -0.413 44.757 45.100 0.117 0.000 1.037 766 G HN 0.290 nan 8.290 nan 0.000 0.556 767 K N -1.081 119.595 120.400 0.460 0.000 2.218 767 K HA 0.147 4.467 4.320 -0.000 0.000 0.214 767 K C 0.469 177.130 176.600 0.103 0.000 1.033 767 K CA 1.671 58.082 56.287 0.207 0.000 0.949 767 K CB -0.068 32.519 32.500 0.145 0.000 0.993 767 K HN 0.757 nan 8.250 nan 0.000 0.464 768 D N -0.916 119.489 120.400 0.008 0.000 2.881 768 D HA 0.143 4.782 4.640 -0.000 0.000 0.325 768 D C -0.858 175.425 176.300 -0.027 0.000 1.621 768 D CA -0.464 53.525 54.000 -0.018 0.000 0.785 768 D CB -1.452 39.309 40.800 -0.066 0.000 1.233 768 D HN 0.385 nan 8.370 nan 0.000 0.447 769 H N 0.452 119.568 119.070 0.077 0.000 2.803 769 H HA 0.450 5.005 4.556 -0.000 0.000 0.330 769 H C 0.535 175.939 175.328 0.127 0.000 1.057 769 H CA -0.090 56.035 56.048 0.129 0.000 1.458 769 H CB 1.422 31.285 29.762 0.170 0.000 1.470 769 H HN 0.169 nan 8.280 nan 0.000 0.560 770 V N 1.382 121.443 119.914 0.244 0.000 2.735 770 V HA 0.248 4.368 4.120 -0.000 0.000 0.310 770 V C 0.557 176.820 176.094 0.281 0.000 1.061 770 V CA -0.871 61.541 62.300 0.186 0.000 0.913 770 V CB 1.700 33.580 31.823 0.094 0.000 1.005 770 V HN 0.634 nan 8.190 nan 0.000 0.428 771 V N 3.244 123.284 119.914 0.210 0.000 2.515 771 V HA -0.166 3.954 4.120 -0.000 0.000 0.250 771 V C 2.817 179.050 176.094 0.232 0.000 1.058 771 V CA 2.667 65.106 62.300 0.233 0.000 1.064 771 V CB -0.373 31.527 31.823 0.129 0.000 0.675 771 V HN 1.205 nan 8.190 nan 0.000 0.461 772 S N 0.001 115.786 115.700 0.141 0.000 2.383 772 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 772 S C 1.657 176.292 174.600 0.059 0.000 1.030 772 S CA 1.748 60.002 58.200 0.090 0.000 1.002 772 S CB -0.593 62.639 63.200 0.054 0.000 0.829 772 S HN 0.556 nan 8.310 nan 0.000 0.467 773 D N 0.976 121.395 120.400 0.032 0.000 2.221 773 D HA -0.000 4.640 4.640 -0.000 0.000 0.204 773 D C 0.907 177.012 176.300 -0.324 0.000 0.982 773 D CA 0.865 54.767 54.000 -0.163 0.000 0.857 773 D CB -0.369 40.267 40.800 -0.274 0.000 0.934 773 D HN 0.594 nan 8.370 nan 0.000 0.475 774 F N 0.257 120.138 119.950 -0.116 0.000 2.693 774 F HA 0.117 4.644 4.527 -0.000 0.000 0.303 774 F C 1.472 177.219 175.800 -0.089 0.000 1.097 774 F CA -0.431 57.447 58.000 -0.204 0.000 1.330 774 F CB -0.012 38.733 39.000 -0.425 0.000 1.067 774 F HN -0.224 nan 8.300 nan 0.000 0.565 775 S N -0.504 115.246 115.700 0.084 0.000 2.626 775 S HA -0.003 4.467 4.470 -0.000 0.000 0.257 775 S C 1.491 176.074 174.600 -0.030 0.000 1.288 775 S CA -0.432 57.797 58.200 0.049 0.000 0.980 775 S CB 0.718 63.945 63.200 0.046 0.000 0.975 775 S HN 0.401 nan 8.310 nan 0.000 0.577 776 E N 0.262 120.394 120.200 -0.112 0.000 2.097 776 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 776 E C 0.975 177.378 176.600 -0.328 0.000 1.000 776 E CA 1.664 57.900 56.400 -0.273 0.000 0.804 776 E CB -0.255 29.159 29.700 -0.477 0.000 0.740 776 E HN 0.862 nan 8.360 nan 0.000 0.454 777 H N -1.181 117.888 119.070 -0.002 0.000 2.505 777 H HA 0.289 4.845 4.556 -0.000 0.000 0.289 777 H C 0.457 175.764 175.328 -0.036 0.000 1.052 777 H CA -0.274 55.764 56.048 -0.016 0.000 1.156 777 H CB 0.978 30.733 29.762 -0.011 0.000 1.507 777 H HN 0.084 nan 8.280 nan 0.000 0.548 778 G N -0.085 108.720 108.800 0.008 0.000 2.543 778 G HA2 0.163 4.123 3.960 -0.000 0.000 0.290 778 G HA3 0.163 4.123 3.960 -0.000 0.000 0.290 778 G C 0.996 175.834 174.900 -0.103 0.000 1.310 778 G CA -0.058 45.011 45.100 -0.053 0.000 1.025 778 G HN 0.343 nan 8.290 nan 0.000 0.502 779 S N -1.561 114.038 115.700 -0.169 0.000 2.503 779 S HA 0.276 4.746 4.470 -0.000 0.000 0.217 779 S C 0.711 175.159 174.600 -0.253 0.000 0.999 779 S CA -0.178 57.917 58.200 -0.175 0.000 0.914 779 S CB -0.191 62.913 63.200 -0.160 0.000 0.782 779 S HN 0.287 nan 8.310 nan 0.000 0.520 780 L N 1.958 122.926 121.223 -0.425 0.000 2.342 780 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 780 L C -0.462 176.105 176.870 -0.506 0.000 1.008 780 L CA -0.986 53.490 54.840 -0.606 0.000 0.818 780 L CB 2.050 43.387 42.059 -1.203 0.000 1.296 780 L HN 0.204 nan 8.230 nan 0.000 0.427 781 K N 0.630 120.859 120.400 -0.285 0.000 2.259 781 K HA 0.531 4.851 4.320 -0.000 0.000 0.249 781 K C -1.416 175.210 176.600 0.044 0.000 0.942 781 K CA -0.869 55.368 56.287 -0.083 0.000 0.816 781 K CB 1.481 33.968 32.500 -0.021 0.000 1.155 781 K HN 0.161 nan 8.250 nan 0.000 0.428 782 Y N 1.575 121.981 120.300 0.177 0.000 2.336 782 Y HA 0.091 4.640 4.550 -0.000 0.000 0.331 782 Y C 1.179 176.993 175.900 -0.144 0.000 1.211 782 Y CA -0.304 57.731 58.100 -0.109 0.000 1.346 782 Y CB 0.751 38.897 38.460 -0.523 0.000 1.271 782 Y HN 0.499 nan 8.280 nan 0.000 0.538 783 L N 0.729 121.945 121.223 -0.012 0.000 2.388 783 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 783 L C 0.115 177.013 176.870 0.046 0.000 1.061 783 L CA 0.075 54.928 54.840 0.022 0.000 0.834 783 L CB -0.138 41.948 42.059 0.045 0.000 1.029 783 L HN 0.691 nan 8.230 nan 0.000 0.473 784 H N 1.780 120.909 119.070 0.098 0.000 2.506 784 H HA -0.156 4.400 4.556 -0.000 0.000 0.323 784 H C -0.264 175.081 175.328 0.030 0.000 1.076 784 H CA 0.514 56.581 56.048 0.032 0.000 1.108 784 H CB -1.816 27.938 29.762 -0.014 0.000 1.569 784 H HN 0.504 nan 8.280 nan 0.000 0.399 785 E N 1.516 121.794 120.200 0.129 0.000 2.081 785 E HA 0.180 4.530 4.350 -0.000 0.000 0.276 785 E C 0.279 176.922 176.600 0.072 0.000 0.950 785 E CA -0.789 55.662 56.400 0.085 0.000 0.776 785 E CB 0.785 30.523 29.700 0.063 0.000 1.094 785 E HN 0.244 nan 8.360 nan 0.000 0.402 786 N N 3.098 121.833 118.700 0.058 0.000 2.492 786 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 786 N C -0.564 174.967 175.510 0.035 0.000 1.202 786 N CA 0.272 53.349 53.050 0.045 0.000 0.926 786 N CB 0.656 39.162 38.487 0.033 0.000 1.078 786 N HN 0.357 nan 8.380 nan 0.000 0.454 787 L N 2.775 124.017 121.223 0.030 0.000 2.334 787 L HA 0.542 4.882 4.340 -0.000 0.000 0.270 787 L C -1.977 174.901 176.870 0.014 0.000 1.018 787 L CA -2.006 52.848 54.840 0.023 0.000 0.811 787 L CB 1.266 43.339 42.059 0.024 0.000 1.271 787 L HN 0.275 nan 8.230 nan 0.000 0.443 788 P HA 0.211 nan 4.420 nan 0.000 0.271 788 P C -1.021 176.280 177.300 0.000 0.000 1.216 788 P CA -0.055 63.048 63.100 0.005 0.000 0.776 788 P CB 0.401 32.104 31.700 0.004 0.000 0.881 789 I N 0.197 120.764 120.570 -0.005 0.000 2.530 789 I HA 0.544 4.714 4.170 -0.000 0.000 0.297 789 I C -2.175 173.935 176.117 -0.012 0.000 1.011 789 I CA -2.929 58.364 61.300 -0.011 0.000 1.107 789 I CB 1.519 39.508 38.000 -0.018 0.000 1.285 789 I HN 0.161 nan 8.210 nan 0.000 0.436 790 P HA 0.110 nan 4.420 nan 0.000 0.262 790 P C -0.207 177.084 177.300 -0.014 0.000 1.182 790 P CA 0.285 63.377 63.100 -0.012 0.000 0.761 790 P CB 0.365 32.057 31.700 -0.013 0.000 0.795 791 Q N 3.439 123.231 119.800 -0.013 0.000 2.340 791 Q HA 0.191 4.531 4.340 -0.000 0.000 0.249 791 Q C 0.602 176.593 176.000 -0.015 0.000 0.957 791 Q CA -0.315 55.479 55.803 -0.014 0.000 0.882 791 Q CB 0.290 29.020 28.738 -0.012 0.000 1.235 791 Q HN 0.471 nan 8.270 nan 0.000 0.439 792 R N 2.048 122.538 120.500 -0.016 0.000 2.694 792 R HA 0.179 4.519 4.340 -0.000 0.000 0.268 792 R C -0.466 175.826 176.300 -0.014 0.000 1.061 792 R CA -0.588 55.502 56.100 -0.016 0.000 1.133 792 R CB 0.387 30.676 30.300 -0.018 0.000 1.020 792 R HN 0.786 nan 8.270 nan 0.000 0.475 793 N N 1.342 120.035 118.700 -0.012 0.000 2.514 793 N HA 0.031 4.770 4.740 -0.000 0.000 0.277 793 N C 0.352 175.855 175.510 -0.011 0.000 1.126 793 N CA -0.055 52.989 53.050 -0.010 0.000 0.978 793 N CB 1.180 39.662 38.487 -0.008 0.000 1.106 793 N HN 0.594 nan 8.380 nan 0.000 0.461 794 T N 0.000 114.547 114.554 -0.011 0.000 3.816 794 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 794 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 794 T CB 0.000 68.859 68.868 -0.016 0.000 0.612 794 T HN 0.000 nan 8.240 nan 0.000 0.658