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 1af6_1_B DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQTTGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVAQ QNDWEATDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGLE NIDVGFGKLS LAATRSSEAG DATA SEQUENCE GSSSFASNNI YDYTNETAND VFDVRLAQME INPGGTLELG VDYGRANLRD DATA SEQUENCE NYRLVDGASK DGWLFTAEHT QSVLKGFNKF VVQYATDSMT SQGKGLSQGS DATA SEQUENCE GVAFDNEKFA YNINNNGHML RILDHGAISM GDNWDMMYVG MYQDINWDND DATA SEQUENCE NGTKWWTVGI RPMYKWTPIM STVMEIGYDN VESQRTGDKN NQYKITLAQQ DATA SEQUENCE WQAGDSIWSR PAIRVFATYA KWDEKWGYDY TGNADNNANF GKAVPADFNG DATA SEQUENCE GSFGRGDSDE WTFGAQMEIW W 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.147 176.094 0.088 0.000 1.182 1 V CA 0.000 62.340 62.300 0.066 0.000 1.235 1 V CB 0.000 31.854 31.823 0.052 0.000 1.184 2 D N 5.807 126.272 120.400 0.107 0.000 2.264 2 D HA 0.385 5.025 4.640 0.001 0.000 0.250 2 D C -0.760 175.587 176.300 0.079 0.000 1.113 2 D CA 0.219 54.266 54.000 0.077 0.000 0.871 2 D CB 1.670 42.591 40.800 0.202 0.000 1.167 2 D HN 0.380 nan 8.370 nan 0.000 0.447 3 F N 4.242 124.075 119.950 -0.195 0.000 2.375 3 F HA 0.290 4.818 4.527 0.001 0.000 0.361 3 F C -0.620 175.092 175.800 -0.147 0.000 1.117 3 F CA -0.430 57.555 58.000 -0.025 0.000 1.037 3 F CB 0.401 39.483 39.000 0.136 0.000 1.192 3 F HN 0.258 nan 8.300 nan 0.000 0.452 4 H N 2.493 121.432 119.070 -0.218 0.000 2.941 4 H HA 0.851 5.407 4.556 0.001 0.000 0.344 4 H C 0.110 174.627 175.328 -1.352 0.000 1.235 4 H CA -0.499 55.021 56.048 -0.880 0.000 1.149 4 H CB 1.711 31.209 29.762 -0.440 0.000 1.885 4 H HN 0.785 nan 8.280 nan 0.000 0.558 5 G N -0.578 107.214 108.800 -1.680 0.000 2.368 5 G HA2 0.234 4.195 3.960 0.001 0.000 0.269 5 G HA3 0.234 4.195 3.960 0.001 0.000 0.269 5 G C -2.355 171.951 174.900 -0.991 0.000 1.291 5 G CA -0.649 43.700 45.100 -1.252 0.000 0.903 5 G HN 0.547 nan 8.290 nan 0.000 0.483 6 Y N 0.145 120.190 120.300 -0.425 0.000 2.513 6 Y HA 0.763 5.313 4.550 0.001 0.000 0.340 6 Y C -0.562 175.576 175.900 0.397 0.000 1.055 6 Y CA 0.033 58.236 58.100 0.172 0.000 1.020 6 Y CB 1.845 40.456 38.460 0.250 0.000 1.301 6 Y HN 1.693 nan 8.280 nan 0.000 0.453 7 A N 5.443 127.970 122.820 -0.489 0.000 2.594 7 A HA 0.893 5.213 4.320 0.001 0.000 0.295 7 A C -1.751 175.603 177.584 -0.383 0.000 1.071 7 A CA -1.011 50.882 52.037 -0.240 0.000 0.685 7 A CB 1.804 20.847 19.000 0.073 0.000 1.285 7 A HN 0.921 nan 8.150 nan 0.000 0.405 8 R N -0.113 120.372 120.500 -0.025 0.000 2.651 8 R HA 0.881 5.221 4.340 0.001 0.000 0.278 8 R C -1.087 175.278 176.300 0.107 0.000 1.010 8 R CA -0.401 55.746 56.100 0.077 0.000 0.896 8 R CB 1.940 32.381 30.300 0.234 0.000 1.211 8 R HN 0.979 nan 8.270 nan 0.000 0.456 9 S N 0.623 116.371 115.700 0.081 0.000 2.542 9 S HA 0.807 5.277 4.470 0.001 0.000 0.276 9 S C -1.239 173.401 174.600 0.067 0.000 1.148 9 S CA 0.070 58.309 58.200 0.064 0.000 0.886 9 S CB 1.777 64.996 63.200 0.031 0.000 1.109 9 S HN 1.131 nan 8.310 nan 0.000 0.458 10 G N 1.897 110.730 108.800 0.055 0.000 2.554 10 G HA2 0.657 4.618 3.960 0.001 0.000 0.306 10 G HA3 0.657 4.618 3.960 0.001 0.000 0.306 10 G C -2.049 172.845 174.900 -0.010 0.000 1.320 10 G CA -0.436 44.702 45.100 0.064 0.000 0.800 10 G HN 0.969 nan 8.290 nan 0.000 0.481 11 I N -0.161 120.384 120.570 -0.041 0.000 2.619 11 I HA 0.769 4.939 4.170 0.001 0.000 0.292 11 I C -0.152 175.741 176.117 -0.372 0.000 1.100 11 I CA -0.624 60.523 61.300 -0.254 0.000 1.043 11 I CB 2.026 39.848 38.000 -0.296 0.000 1.239 11 I HN 0.985 nan 8.210 nan 0.000 0.420 12 G N 6.112 114.538 108.800 -0.624 0.000 2.690 12 G HA2 0.534 4.494 3.960 0.001 0.000 0.291 12 G HA3 0.534 4.494 3.960 0.001 0.000 0.291 12 G C -2.369 172.061 174.900 -0.782 0.000 1.403 12 G CA -0.474 44.330 45.100 -0.494 0.000 0.864 12 G HN 0.555 nan 8.290 nan 0.000 0.480 13 W N 0.325 121.285 121.300 -0.567 0.000 2.915 13 W HA 0.472 5.133 4.660 0.001 0.000 0.337 13 W C -0.655 175.487 176.519 -0.627 0.000 1.102 13 W CA -0.598 56.339 57.345 -0.680 0.000 1.224 13 W CB 2.637 31.446 29.460 -1.085 0.000 1.416 13 W HN 0.417 nan 8.180 nan 0.000 0.503 14 T N 1.474 115.924 114.554 -0.173 0.000 2.806 14 T HA 0.205 4.556 4.350 0.001 0.000 0.290 14 T C 1.297 175.828 174.700 -0.281 0.000 0.966 14 T CA 0.063 62.066 62.100 -0.162 0.000 1.060 14 T CB 1.677 70.518 68.868 -0.046 0.000 0.927 14 T HN 0.623 nan 8.240 nan 0.000 0.485 15 G N 2.038 110.452 108.800 -0.643 0.000 2.469 15 G HA2 -0.243 3.717 3.960 0.001 0.000 0.219 15 G HA3 -0.243 3.717 3.960 0.001 0.000 0.219 15 G C 1.638 176.378 174.900 -0.266 0.000 1.150 15 G CA 1.151 45.608 45.100 -1.072 0.000 0.763 15 G HN 0.753 nan 8.290 nan 0.000 0.561 16 S N -0.464 115.176 115.700 -0.099 0.000 2.603 16 S HA 0.466 4.936 4.470 0.001 0.000 0.220 16 S C 0.935 175.559 174.600 0.040 0.000 0.967 16 S CA 0.578 58.806 58.200 0.046 0.000 0.920 16 S CB -0.082 63.171 63.200 0.089 0.000 0.773 16 S HN 1.597 nan 8.310 nan 0.000 0.529 17 G N -0.983 107.824 108.800 0.011 0.000 2.402 17 G HA2 0.499 4.459 3.960 0.001 0.000 0.666 17 G HA3 0.499 4.459 3.960 0.001 0.000 0.666 17 G C 0.001 174.917 174.900 0.026 0.000 1.402 17 G CA -0.463 44.660 45.100 0.038 0.000 0.920 17 G HN 1.693 nan 8.290 nan 0.000 0.651 18 G N 0.035 108.860 108.800 0.042 0.000 2.760 18 G HA2 0.365 4.326 3.960 0.001 0.000 0.246 18 G HA3 0.365 4.326 3.960 0.001 0.000 0.246 18 G C 0.309 175.183 174.900 -0.044 0.000 1.359 18 G CA 0.928 46.033 45.100 0.008 0.000 0.861 18 G HN 2.277 nan 8.290 nan 0.000 0.541 19 E N 0.067 120.203 120.200 -0.107 0.000 2.409 19 E HA 0.325 4.675 4.350 0.001 0.000 0.257 19 E C 0.656 177.144 176.600 -0.187 0.000 1.150 19 E CA -0.017 56.255 56.400 -0.213 0.000 0.942 19 E CB 0.585 30.170 29.700 -0.192 0.000 0.979 19 E HN 0.788 nan 8.360 nan 0.000 0.447 20 Q N 0.684 120.342 119.800 -0.237 0.000 2.354 20 Q HA -0.137 4.204 4.340 0.001 0.000 0.310 20 Q C -0.737 175.165 176.000 -0.163 0.000 1.104 20 Q CA 0.925 56.631 55.803 -0.161 0.000 0.968 20 Q CB 0.553 29.221 28.738 -0.116 0.000 1.251 20 Q HN 0.486 nan 8.270 nan 0.000 0.411 21 Q N 1.521 121.197 119.800 -0.207 0.000 2.377 21 Q HA 0.496 4.837 4.340 0.001 0.000 0.271 21 Q C -1.456 174.065 176.000 -0.799 0.000 1.077 21 Q CA -0.851 54.732 55.803 -0.367 0.000 0.820 21 Q CB 2.286 30.875 28.738 -0.249 0.000 1.347 21 Q HN 0.661 nan 8.270 nan 0.000 0.444 22 c N 1.515 119.663 118.600 -0.752 0.000 2.435 22 c HA 0.650 5.221 4.570 0.001 0.000 0.333 22 c C -1.103 172.500 174.090 -0.812 0.000 1.202 22 c CA -0.657 55.200 56.329 -0.786 0.000 1.830 22 c CB 0.180 42.483 42.510 -0.344 0.000 2.326 22 c HN 0.652 nan 8.230 nan 0.000 0.507 23 F N 2.188 122.087 119.950 -0.086 0.000 2.403 23 F HA 0.564 5.092 4.527 0.001 0.000 0.355 23 F C 0.157 175.882 175.800 -0.125 0.000 1.119 23 F CA -0.405 57.496 58.000 -0.164 0.000 1.007 23 F CB 0.776 39.714 39.000 -0.103 0.000 1.194 23 F HN 0.512 nan 8.300 nan 0.000 0.443 24 Q N 1.555 121.324 119.800 -0.051 0.000 2.356 24 Q HA 0.466 4.807 4.340 0.001 0.000 0.270 24 Q C -0.819 175.089 176.000 -0.154 0.000 1.058 24 Q CA -0.641 55.115 55.803 -0.079 0.000 0.802 24 Q CB 1.975 30.645 28.738 -0.113 0.000 1.303 24 Q HN 0.624 nan 8.270 nan 0.000 0.444 25 T N 2.868 117.340 114.554 -0.136 0.000 2.888 25 T HA 0.091 4.442 4.350 0.001 0.000 0.301 25 T C -0.258 174.280 174.700 -0.269 0.000 1.001 25 T CA 0.088 62.072 62.100 -0.193 0.000 1.147 25 T CB 0.526 69.313 68.868 -0.135 0.000 0.931 25 T HN 0.564 nan 8.240 nan 0.000 0.541 26 T N 3.589 117.944 114.554 -0.331 0.000 2.829 26 T HA 0.382 4.733 4.350 0.001 0.000 0.293 26 T C 1.543 175.964 174.700 -0.465 0.000 0.970 26 T CA 0.791 62.657 62.100 -0.389 0.000 1.168 26 T CB 0.241 68.786 68.868 -0.538 0.000 0.911 26 T HN 0.961 nan 8.240 nan 0.000 0.535 27 G N 2.311 110.983 108.800 -0.214 0.000 2.254 27 G HA2 -0.088 3.873 3.960 0.001 0.000 0.225 27 G HA3 -0.088 3.873 3.960 0.001 0.000 0.225 27 G C 0.305 174.991 174.900 -0.357 0.000 1.003 27 G CA -0.149 44.920 45.100 -0.051 0.000 0.622 27 G HN 1.139 nan 8.290 nan 0.000 0.507 28 A N 0.182 122.632 122.820 -0.616 0.000 2.340 28 A HA 0.695 5.015 4.320 0.001 0.000 0.268 28 A C 0.894 177.903 177.584 -0.959 0.000 1.100 28 A CA 0.591 51.836 52.037 -1.320 0.000 0.803 28 A CB 0.418 18.841 19.000 -0.963 0.000 1.043 28 A HN 0.436 nan 8.150 nan 0.000 0.488 29 Q N 0.479 119.523 119.800 -1.261 0.000 2.247 29 Q HA 0.172 4.512 4.340 0.001 0.000 0.205 29 Q C 0.067 176.019 176.000 -0.079 0.000 0.896 29 Q CA 0.456 56.036 55.803 -0.372 0.000 0.950 29 Q CB 0.028 28.780 28.738 0.024 0.000 1.054 29 Q HN 0.848 nan 8.270 nan 0.000 0.482 30 S N -0.221 115.392 115.700 -0.145 0.000 2.636 30 S HA 0.629 5.099 4.470 0.001 0.000 0.268 30 S C -1.466 173.114 174.600 -0.033 0.000 1.159 30 S CA -1.138 57.072 58.200 0.018 0.000 0.815 30 S CB 1.756 65.009 63.200 0.088 0.000 1.130 30 S HN 0.200 nan 8.310 nan 0.000 0.471 31 K N -0.300 120.068 120.400 -0.054 0.000 2.512 31 K HA 0.558 4.879 4.320 0.001 0.000 0.263 31 K C -1.915 174.615 176.600 -0.117 0.000 0.966 31 K CA -1.007 55.267 56.287 -0.022 0.000 0.851 31 K CB 0.882 33.392 32.500 0.016 0.000 1.395 31 K HN 0.566 nan 8.250 nan 0.000 0.440 32 Y N 2.437 122.790 120.300 0.089 0.000 2.531 32 Y HA 0.074 4.624 4.550 0.001 0.000 0.347 32 Y C 1.789 177.722 175.900 0.056 0.000 1.024 32 Y CA -0.087 58.064 58.100 0.085 0.000 1.306 32 Y CB 0.899 39.434 38.460 0.124 0.000 1.149 32 Y HN 0.649 nan 8.280 nan 0.000 0.527 33 R N 2.870 123.413 120.500 0.070 0.000 2.153 33 R HA 0.015 4.356 4.340 0.001 0.000 0.218 33 R C 0.265 176.576 176.300 0.018 0.000 1.072 33 R CA 0.315 56.426 56.100 0.019 0.000 0.990 33 R CB 0.019 30.294 30.300 -0.043 0.000 0.889 33 R HN 0.515 nan 8.270 nan 0.000 0.452 34 L N 2.951 124.209 121.223 0.058 0.000 2.534 34 L HA 0.033 4.374 4.340 0.001 0.000 0.271 34 L C 0.312 177.102 176.870 -0.133 0.000 1.178 34 L CA 1.594 56.436 54.840 0.004 0.000 0.907 34 L CB 0.417 42.527 42.059 0.085 0.000 1.164 34 L HN 0.782 nan 8.230 nan 0.000 0.482 35 G N 3.813 112.323 108.800 -0.483 0.000 2.249 35 G HA2 -0.337 3.623 3.960 0.001 0.000 0.273 35 G HA3 -0.337 3.623 3.960 0.001 0.000 0.273 35 G C 0.349 174.978 174.900 -0.453 0.000 1.036 35 G CA 0.725 45.096 45.100 -1.215 0.000 0.824 35 G HN 0.781 nan 8.290 nan 0.000 0.504 36 N N -0.118 118.447 118.700 -0.225 0.000 2.577 36 N HA 0.197 4.938 4.740 0.001 0.000 0.285 36 N C -0.718 174.745 175.510 -0.079 0.000 1.658 36 N CA -0.136 52.873 53.050 -0.069 0.000 0.865 36 N CB 0.576 39.097 38.487 0.056 0.000 1.419 36 N HN 0.521 nan 8.380 nan 0.000 0.495 37 E N -0.106 120.044 120.200 -0.083 0.000 2.244 37 E HA 0.348 4.698 4.350 0.001 0.000 0.260 37 E C -0.622 175.964 176.600 -0.022 0.000 0.884 37 E CA -0.468 55.911 56.400 -0.035 0.000 0.777 37 E CB 1.297 31.005 29.700 0.013 0.000 1.197 37 E HN 0.198 nan 8.360 nan 0.000 0.416 38 c N 3.678 122.255 118.600 -0.038 0.000 2.647 38 c HA 0.182 4.753 4.570 0.001 0.000 0.296 38 c C -0.094 173.985 174.090 -0.018 0.000 1.403 38 c CA -0.245 56.055 56.329 -0.048 0.000 1.781 38 c CB -1.079 41.370 42.510 -0.102 0.000 2.464 38 c HN 0.593 nan 8.230 nan 0.000 0.559 39 E N -0.935 119.282 120.200 0.028 0.000 2.413 39 E HA 0.285 4.635 4.350 0.001 0.000 0.277 39 E C -1.386 175.280 176.600 0.110 0.000 0.958 39 E CA -0.376 56.060 56.400 0.060 0.000 0.779 39 E CB 0.834 30.581 29.700 0.079 0.000 1.278 39 E HN -0.061 nan 8.360 nan 0.000 0.456 40 T N 2.041 116.661 114.554 0.110 0.000 2.743 40 T HA 0.328 4.678 4.350 0.001 0.000 0.293 40 T C -1.254 173.581 174.700 0.226 0.000 0.945 40 T CA -0.110 62.070 62.100 0.133 0.000 1.030 40 T CB -0.365 68.542 68.868 0.066 0.000 0.912 40 T HN 0.362 nan 8.240 nan 0.000 0.483 41 Y N 2.557 122.954 120.300 0.162 0.000 2.391 41 Y HA 0.626 5.177 4.550 0.001 0.000 0.341 41 Y C -0.839 175.236 175.900 0.292 0.000 0.965 41 Y CA -1.028 57.209 58.100 0.227 0.000 1.067 41 Y CB 1.188 39.800 38.460 0.254 0.000 1.199 41 Y HN 0.727 nan 8.280 nan 0.000 0.450 42 A N 5.071 127.630 122.820 -0.436 0.000 2.488 42 A HA 0.649 4.970 4.320 0.001 0.000 0.298 42 A C -1.627 175.847 177.584 -0.183 0.000 1.044 42 A CA -0.856 51.112 52.037 -0.115 0.000 0.693 42 A CB 1.359 20.401 19.000 0.069 0.000 1.272 42 A HN 0.768 nan 8.150 nan 0.000 0.402 43 E N 1.734 121.964 120.200 0.049 0.000 2.165 43 E HA 0.509 4.859 4.350 0.001 0.000 0.266 43 E C -1.294 175.396 176.600 0.150 0.000 0.889 43 E CA -0.405 56.042 56.400 0.077 0.000 0.756 43 E CB 1.920 31.689 29.700 0.115 0.000 1.131 43 E HN 0.561 nan 8.360 nan 0.000 0.411 44 L N 3.813 125.168 121.223 0.220 0.000 2.276 44 L HA 0.436 4.776 4.340 0.001 0.000 0.286 44 L C -0.212 176.783 176.870 0.208 0.000 1.024 44 L CA -0.628 54.418 54.840 0.344 0.000 0.826 44 L CB 0.730 43.076 42.059 0.478 0.000 1.211 44 L HN 0.294 nan 8.230 nan 0.000 0.422 45 K N 5.191 125.671 120.400 0.133 0.000 2.206 45 K HA 0.687 5.008 4.320 0.001 0.000 0.264 45 K C -1.035 175.676 176.600 0.185 0.000 0.967 45 K CA -0.548 55.767 56.287 0.046 0.000 0.844 45 K CB 2.327 34.778 32.500 -0.082 0.000 1.099 45 K HN 0.455 nan 8.250 nan 0.000 0.441 46 L N 2.146 123.430 121.223 0.102 0.000 2.349 46 L HA 0.568 4.908 4.340 0.001 0.000 0.278 46 L C 0.126 176.977 176.870 -0.033 0.000 0.996 46 L CA -0.646 54.259 54.840 0.109 0.000 0.825 46 L CB 1.971 44.095 42.059 0.109 0.000 1.243 46 L HN 0.793 nan 8.230 nan 0.000 0.412 47 G N 2.042 110.850 108.800 0.013 0.000 2.733 47 G HA2 0.720 4.680 3.960 0.001 0.000 0.288 47 G HA3 0.720 4.680 3.960 0.001 0.000 0.288 47 G C -1.930 172.884 174.900 -0.142 0.000 1.373 47 G CA -0.331 44.688 45.100 -0.135 0.000 0.895 47 G HN 0.435 nan 8.290 nan 0.000 0.479 48 Q N -0.776 118.732 119.800 -0.488 0.000 2.438 48 Q HA 0.290 4.631 4.340 0.001 0.000 0.272 48 Q C -1.473 174.210 176.000 -0.528 0.000 0.994 48 Q CA -0.604 55.019 55.803 -0.300 0.000 0.887 48 Q CB 2.520 31.242 28.738 -0.026 0.000 1.432 48 Q HN 0.612 nan 8.270 nan 0.000 0.392 49 E N 2.604 122.738 120.200 -0.110 0.000 2.003 49 E HA 0.149 4.500 4.350 0.001 0.000 0.279 49 E C 0.511 177.190 176.600 0.132 0.000 1.132 49 E CA -0.099 56.383 56.400 0.137 0.000 0.888 49 E CB 0.621 30.500 29.700 0.298 0.000 1.056 49 E HN 0.529 nan 8.360 nan 0.000 0.399 50 V N 2.481 122.495 119.914 0.165 0.000 3.608 50 V HA 0.269 4.390 4.120 0.001 0.000 0.269 50 V C 0.121 176.388 176.094 0.288 0.000 1.245 50 V CA -0.188 62.208 62.300 0.161 0.000 1.138 50 V CB -0.783 31.092 31.823 0.086 0.000 0.841 50 V HN 0.643 nan 8.190 nan 0.000 0.451 51 W N 0.395 121.770 121.300 0.125 0.000 3.707 51 W HA 0.628 5.288 4.660 0.001 0.000 0.294 51 W C -1.285 175.341 176.519 0.178 0.000 1.248 51 W CA -0.697 56.729 57.345 0.136 0.000 1.217 51 W CB 1.278 30.817 29.460 0.133 0.000 1.306 51 W HN -0.121 nan 8.180 nan 0.000 0.532 52 K N 4.440 124.621 120.400 -0.366 0.000 2.565 52 K HA 0.326 4.647 4.320 0.001 0.000 0.251 52 K C -1.530 174.618 176.600 -0.754 0.000 0.956 52 K CA -0.418 55.635 56.287 -0.390 0.000 0.809 52 K CB 1.858 34.287 32.500 -0.118 0.000 1.267 52 K HN 0.601 nan 8.250 nan 0.000 0.438 53 E N 2.778 122.525 120.200 -0.754 0.000 2.316 53 E HA 0.292 4.643 4.350 0.001 0.000 0.254 53 E C 0.084 176.557 176.600 -0.211 0.000 0.902 53 E CA -0.207 55.885 56.400 -0.514 0.000 0.801 53 E CB 1.640 30.986 29.700 -0.589 0.000 1.270 53 E HN 0.954 nan 8.360 nan 0.000 0.414 54 G N 4.084 112.800 108.800 -0.140 0.000 2.596 54 G HA2 -0.407 3.553 3.960 0.001 0.000 0.304 54 G HA3 -0.407 3.553 3.960 0.001 0.000 0.304 54 G C 0.641 175.511 174.900 -0.049 0.000 1.189 54 G CA 0.704 45.763 45.100 -0.068 0.000 0.986 54 G HN 0.599 nan 8.290 nan 0.000 0.548 55 D N 1.475 121.862 120.400 -0.021 0.000 2.323 55 D HA 0.184 4.824 4.640 0.001 0.000 0.209 55 D C 1.147 177.451 176.300 0.008 0.000 0.973 55 D CA 0.720 54.716 54.000 -0.008 0.000 0.874 55 D CB 0.090 40.889 40.800 -0.002 0.000 0.930 55 D HN 0.443 nan 8.370 nan 0.000 0.521 56 K N 0.098 120.517 120.400 0.031 0.000 2.172 56 K HA 0.473 4.794 4.320 0.001 0.000 0.276 56 K C -0.273 176.433 176.600 0.178 0.000 1.013 56 K CA -0.372 55.983 56.287 0.114 0.000 0.913 56 K CB 1.692 34.342 32.500 0.250 0.000 1.055 56 K HN -0.046 nan 8.250 nan 0.000 0.461 57 S N 1.546 117.353 115.700 0.178 0.000 2.570 57 S HA 0.591 5.061 4.470 0.001 0.000 0.270 57 S C -1.310 173.384 174.600 0.156 0.000 1.149 57 S CA -1.034 57.351 58.200 0.308 0.000 0.837 57 S CB 0.670 63.989 63.200 0.198 0.000 1.124 57 S HN 0.328 nan 8.310 nan 0.000 0.465 58 F N 1.361 121.533 119.950 0.371 0.000 2.467 58 F HA 0.585 5.112 4.527 0.001 0.000 0.336 58 F C -0.589 175.378 175.800 0.278 0.000 1.123 58 F CA -0.609 57.545 58.000 0.256 0.000 0.964 58 F CB 1.576 40.672 39.000 0.160 0.000 1.136 58 F HN 0.750 nan 8.300 nan 0.000 0.447 59 Y N 4.159 124.638 120.300 0.298 0.000 2.364 59 Y HA 0.527 5.077 4.550 0.001 0.000 0.340 59 Y C -1.406 174.663 175.900 0.281 0.000 0.975 59 Y CA -1.475 56.766 58.100 0.235 0.000 1.089 59 Y CB 1.200 39.733 38.460 0.120 0.000 1.192 59 Y HN 0.486 nan 8.280 nan 0.000 0.454 60 F N 5.786 125.538 119.950 -0.330 0.000 2.436 60 F HA 0.540 5.067 4.527 0.001 0.000 0.340 60 F C -1.272 174.404 175.800 -0.206 0.000 1.113 60 F CA -0.709 57.196 58.000 -0.158 0.000 1.022 60 F CB 1.082 40.004 39.000 -0.129 0.000 1.128 60 F HN 0.539 nan 8.300 nan 0.000 0.466 61 D N 2.846 122.845 120.400 -0.668 0.000 2.819 61 D HA 0.502 5.143 4.640 0.001 0.000 0.232 61 D C -1.127 174.752 176.300 -0.702 0.000 1.160 61 D CA -0.049 53.633 54.000 -0.529 0.000 0.858 61 D CB 2.296 43.051 40.800 -0.075 0.000 1.610 61 D HN 0.704 nan 8.370 nan 0.000 0.481 62 T N 0.115 114.341 114.554 -0.547 0.000 2.887 62 T HA 0.699 5.049 4.350 0.001 0.000 0.292 62 T C -0.867 173.615 174.700 -0.363 0.000 1.087 62 T CA -0.983 60.848 62.100 -0.450 0.000 1.009 62 T CB 1.463 70.174 68.868 -0.262 0.000 1.203 62 T HN 0.385 nan 8.240 nan 0.000 0.518 63 N N 0.113 118.556 118.700 -0.428 0.000 2.648 63 N HA 0.470 5.210 4.740 0.001 0.000 0.272 63 N C -2.080 173.250 175.510 -0.300 0.000 1.118 63 N CA -0.606 52.226 53.050 -0.364 0.000 0.973 63 N CB 1.713 39.848 38.487 -0.586 0.000 1.565 63 N HN 0.569 nan 8.380 nan 0.000 0.542 64 V N 2.118 121.979 119.914 -0.089 0.000 2.409 64 V HA 0.809 4.929 4.120 0.001 0.000 0.291 64 V C -0.095 175.919 176.094 -0.133 0.000 1.020 64 V CA -0.570 61.699 62.300 -0.052 0.000 0.848 64 V CB 1.057 32.930 31.823 0.083 0.000 0.990 64 V HN 0.742 nan 8.190 nan 0.000 0.430 65 A N 4.830 127.502 122.820 -0.246 0.000 2.337 65 A HA 0.916 5.237 4.320 0.001 0.000 0.329 65 A C -1.491 175.848 177.584 -0.408 0.000 1.146 65 A CA -0.446 51.459 52.037 -0.221 0.000 0.800 65 A CB 0.955 19.932 19.000 -0.038 0.000 1.220 65 A HN 0.719 nan 8.150 nan 0.000 0.472 66 Y N 0.356 120.562 120.300 -0.156 0.000 2.425 66 Y HA 0.639 5.190 4.550 0.001 0.000 0.344 66 Y C 0.453 176.315 175.900 -0.063 0.000 0.969 66 Y CA -0.517 57.536 58.100 -0.079 0.000 1.052 66 Y CB 2.593 41.012 38.460 -0.069 0.000 1.215 66 Y HN 0.570 nan 8.280 nan 0.000 0.451 67 S N 3.316 119.138 115.700 0.202 0.000 2.756 67 S HA 0.766 5.236 4.470 0.001 0.000 0.303 67 S C -1.281 173.412 174.600 0.155 0.000 1.135 67 S CA -0.537 57.814 58.200 0.251 0.000 1.066 67 S CB -0.023 63.372 63.200 0.324 0.000 1.008 67 S HN 0.638 nan 8.310 nan 0.000 0.482 68 V N 2.410 122.398 119.914 0.122 0.000 3.074 68 V HA 0.932 5.053 4.120 0.001 0.000 0.314 68 V C 0.963 177.086 176.094 0.049 0.000 1.117 68 V CA -0.403 61.935 62.300 0.064 0.000 1.014 68 V CB 1.137 32.976 31.823 0.027 0.000 1.057 68 V HN 0.835 nan 8.190 nan 0.000 0.438 69 A N 0.840 123.674 122.820 0.023 0.000 2.206 69 A HA 0.094 4.415 4.320 0.001 0.000 0.211 69 A C 1.185 178.763 177.584 -0.010 0.000 1.158 69 A CA 0.901 52.942 52.037 0.006 0.000 0.761 69 A CB -0.974 18.024 19.000 -0.003 0.000 0.801 69 A HN 1.808 nan 8.150 nan 0.000 0.473 70 Q N -1.579 118.216 119.800 -0.008 0.000 2.439 70 Q HA -0.267 4.073 4.340 0.001 0.000 0.325 70 Q C -0.285 175.686 176.000 -0.049 0.000 1.372 70 Q CA 1.136 56.924 55.803 -0.025 0.000 0.909 70 Q CB -1.791 26.935 28.738 -0.020 0.000 1.167 70 Q HN 0.517 nan 8.270 nan 0.000 0.418 71 Q N -0.199 119.579 119.800 -0.036 0.000 2.185 71 Q HA 0.364 4.705 4.340 0.001 0.000 0.234 71 Q C -0.188 175.799 176.000 -0.022 0.000 0.819 71 Q CA 0.330 56.106 55.803 -0.046 0.000 0.961 71 Q CB 0.913 29.627 28.738 -0.040 0.000 1.140 71 Q HN 0.560 nan 8.270 nan 0.000 0.492 72 N N -0.325 118.374 118.700 -0.003 0.000 2.825 72 N HA 0.039 4.779 4.740 0.001 0.000 0.253 72 N C 0.015 175.544 175.510 0.032 0.000 1.426 72 N CA -0.274 52.791 53.050 0.026 0.000 0.851 72 N CB 1.879 40.400 38.487 0.057 0.000 1.470 72 N HN -0.174 nan 8.380 nan 0.000 0.517 73 D N -0.079 120.358 120.400 0.063 0.000 2.092 73 D HA -0.107 4.533 4.640 0.001 0.000 0.203 73 D C 0.118 176.477 176.300 0.098 0.000 0.978 73 D CA 0.977 55.020 54.000 0.073 0.000 0.861 73 D CB -0.001 40.858 40.800 0.100 0.000 1.005 73 D HN 0.429 nan 8.370 nan 0.000 0.450 74 W N 2.608 123.901 121.300 -0.012 0.000 2.666 74 W HA 0.228 4.889 4.660 0.001 0.000 0.365 74 W C -0.951 175.567 176.519 -0.002 0.000 1.224 74 W CA -0.014 57.326 57.345 -0.008 0.000 1.515 74 W CB -0.350 29.106 29.460 -0.006 0.000 1.562 74 W HN 0.112 nan 8.180 nan 0.000 0.455 75 E N 4.452 124.492 120.200 -0.266 0.000 2.255 75 E HA 0.379 4.730 4.350 0.001 0.000 0.245 75 E C -0.234 176.200 176.600 -0.276 0.000 0.909 75 E CA -0.462 55.845 56.400 -0.156 0.000 0.747 75 E CB 1.203 30.863 29.700 -0.068 0.000 1.215 75 E HN 0.387 nan 8.360 nan 0.000 0.424 76 A N 2.957 125.643 122.820 -0.224 0.000 2.401 76 A HA 0.482 4.803 4.320 0.001 0.000 0.259 76 A C 0.192 177.754 177.584 -0.036 0.000 1.103 76 A CA 0.149 52.094 52.037 -0.153 0.000 0.789 76 A CB 1.056 20.087 19.000 0.053 0.000 1.035 76 A HN 0.469 nan 8.150 nan 0.000 0.491 77 T N 0.452 114.999 114.554 -0.012 0.000 2.762 77 T HA 0.431 4.782 4.350 0.001 0.000 0.301 77 T C -1.847 172.873 174.700 0.034 0.000 1.299 77 T CA -0.734 61.384 62.100 0.030 0.000 1.005 77 T CB 1.249 70.155 68.868 0.062 0.000 1.377 77 T HN 0.560 nan 8.240 nan 0.000 0.504 78 D N 3.761 124.174 120.400 0.021 0.000 2.412 78 D HA 0.367 5.008 4.640 0.001 0.000 0.224 78 D C -1.994 174.280 176.300 -0.044 0.000 1.093 78 D CA -0.982 53.016 54.000 -0.003 0.000 0.850 78 D CB 1.423 42.221 40.800 -0.003 0.000 1.046 78 D HN 0.381 nan 8.370 nan 0.000 0.507 79 P HA 0.224 nan 4.420 nan 0.000 0.271 79 P C -0.873 176.326 177.300 -0.169 0.000 1.218 79 P CA -0.531 62.374 63.100 -0.326 0.000 0.780 79 P CB 0.976 32.336 31.700 -0.567 0.000 0.901 80 A N 2.848 125.574 122.820 -0.157 0.000 2.274 80 A HA 0.373 4.693 4.320 0.001 0.000 0.309 80 A C -0.697 176.890 177.584 0.005 0.000 1.226 80 A CA -0.536 51.479 52.037 -0.036 0.000 0.853 80 A CB -0.275 18.725 19.000 -0.001 0.000 1.146 80 A HN 0.490 nan 8.150 nan 0.000 0.518 81 F N 3.615 123.503 119.950 -0.104 0.000 2.515 81 F HA 0.306 4.834 4.527 0.001 0.000 0.353 81 F C 1.224 176.976 175.800 -0.081 0.000 1.213 81 F CA -0.510 57.432 58.000 -0.097 0.000 1.194 81 F CB 0.337 39.295 39.000 -0.071 0.000 1.488 81 F HN 0.754 nan 8.300 nan 0.000 0.619 82 R N 2.062 122.355 120.500 -0.344 0.000 2.140 82 R HA 0.135 4.475 4.340 0.001 0.000 0.213 82 R C -0.196 175.814 176.300 -0.484 0.000 1.059 82 R CA 0.608 56.531 56.100 -0.296 0.000 1.000 82 R CB 0.262 30.473 30.300 -0.149 0.000 0.910 82 R HN 0.490 nan 8.270 nan 0.000 0.455 83 E N -0.390 119.369 120.200 -0.735 0.000 2.293 83 E HA 0.591 4.941 4.350 0.001 0.000 0.270 83 E C -1.543 174.647 176.600 -0.684 0.000 0.879 83 E CA -0.693 55.324 56.400 -0.638 0.000 0.756 83 E CB 2.450 31.743 29.700 -0.679 0.000 1.208 83 E HN 0.119 nan 8.360 nan 0.000 0.428 84 A N 3.130 125.723 122.820 -0.379 0.000 2.686 84 A HA 0.415 4.735 4.320 0.001 0.000 0.299 84 A C -1.316 176.295 177.584 0.045 0.000 1.151 84 A CA -0.853 51.098 52.037 -0.143 0.000 0.851 84 A CB -0.097 18.953 19.000 0.084 0.000 1.448 84 A HN 0.726 nan 8.150 nan 0.000 0.404 85 N N -0.531 118.199 118.700 0.050 0.000 2.494 85 N HA 0.701 5.442 4.740 0.001 0.000 0.270 85 N C -1.503 174.169 175.510 0.271 0.000 1.285 85 N CA -0.791 52.363 53.050 0.173 0.000 0.812 85 N CB 2.001 40.567 38.487 0.132 0.000 1.557 85 N HN 0.170 nan 8.380 nan 0.000 0.487 86 V N 0.536 120.638 119.914 0.314 0.000 2.495 86 V HA 0.431 4.552 4.120 0.001 0.000 0.298 86 V C -0.674 175.622 176.094 0.337 0.000 1.031 86 V CA -0.546 61.963 62.300 0.349 0.000 0.871 86 V CB 1.355 33.372 31.823 0.323 0.000 0.988 86 V HN 0.678 nan 8.190 nan 0.000 0.432 87 Q N 2.447 122.438 119.800 0.318 0.000 2.348 87 Q HA 0.597 4.938 4.340 0.001 0.000 0.265 87 Q C 0.186 176.265 176.000 0.131 0.000 0.998 87 Q CA -0.345 55.603 55.803 0.242 0.000 0.831 87 Q CB 2.095 30.932 28.738 0.164 0.000 1.251 87 Q HN 0.936 nan 8.270 nan 0.000 0.456 88 G N 3.440 112.232 108.800 -0.014 0.000 2.377 88 G HA2 0.344 4.304 3.960 0.001 0.000 0.316 88 G HA3 0.344 4.304 3.960 0.001 0.000 0.316 88 G C -0.588 174.167 174.900 -0.241 0.000 1.115 88 G CA -0.611 44.243 45.100 -0.410 0.000 0.952 88 G HN 0.360 nan 8.290 nan 0.000 0.441 89 K N 2.339 122.614 120.400 -0.208 0.000 2.182 89 K HA 0.363 4.684 4.320 0.001 0.000 0.262 89 K C -0.156 176.385 176.600 -0.100 0.000 0.957 89 K CA -1.107 55.118 56.287 -0.103 0.000 0.842 89 K CB 1.482 33.953 32.500 -0.048 0.000 1.099 89 K HN 0.371 nan 8.250 nan 0.000 0.438 90 N N 1.444 120.094 118.700 -0.082 0.000 2.754 90 N HA -0.155 4.586 4.740 0.001 0.000 0.248 90 N C 0.214 175.676 175.510 -0.081 0.000 1.093 90 N CA 0.476 53.486 53.050 -0.067 0.000 0.699 90 N CB -1.264 37.204 38.487 -0.031 0.000 1.016 90 N HN 0.640 nan 8.380 nan 0.000 0.552 91 L N -0.729 120.415 121.223 -0.132 0.000 2.416 91 L HA 0.239 4.579 4.340 0.001 0.000 0.216 91 L C 0.862 177.629 176.870 -0.172 0.000 1.098 91 L CA 0.613 55.370 54.840 -0.139 0.000 0.840 91 L CB 0.161 42.101 42.059 -0.198 0.000 0.981 91 L HN 0.117 nan 8.230 nan 0.000 0.462 92 I N 0.318 120.748 120.570 -0.233 0.000 2.306 92 I HA 0.061 4.231 4.170 0.001 0.000 0.288 92 I C 0.938 176.856 176.117 -0.332 0.000 1.036 92 I CA -0.191 60.866 61.300 -0.405 0.000 1.221 92 I CB 1.451 39.116 38.000 -0.558 0.000 1.385 92 I HN 0.108 nan 8.210 nan 0.000 0.472 93 E N 4.691 124.750 120.200 -0.236 0.000 2.118 93 E HA -0.246 4.105 4.350 0.001 0.000 0.195 93 E C 1.283 177.901 176.600 0.031 0.000 0.992 93 E CA 1.628 57.992 56.400 -0.061 0.000 0.804 93 E CB -0.136 29.579 29.700 0.025 0.000 0.741 93 E HN 0.879 nan 8.360 nan 0.000 0.458 94 W N 0.988 122.294 121.300 0.011 0.000 3.077 94 W HA 0.224 4.885 4.660 0.001 0.000 0.245 94 W C 0.032 176.555 176.519 0.007 0.000 1.316 94 W CA 0.053 57.403 57.345 0.009 0.000 1.537 94 W CB -0.117 29.348 29.460 0.009 0.000 1.131 94 W HN -0.174 nan 8.180 nan 0.000 0.695 95 L N 3.662 124.874 121.223 -0.019 0.000 2.594 95 L HA 0.339 4.679 4.340 0.001 0.000 0.245 95 L C -2.145 174.706 176.870 -0.033 0.000 1.460 95 L CA -1.941 52.903 54.840 0.007 0.000 0.865 95 L CB 0.549 42.582 42.059 -0.043 0.000 1.131 95 L HN -0.366 nan 8.230 nan 0.000 0.506 96 P HA 0.054 nan 4.420 nan 0.000 0.265 96 P C 1.012 178.301 177.300 -0.017 0.000 1.193 96 P CA 1.041 64.134 63.100 -0.011 0.000 0.765 96 P CB 1.231 32.937 31.700 0.009 0.000 0.823 97 G N 1.739 110.523 108.800 -0.027 0.000 2.205 97 G HA2 -0.250 3.711 3.960 0.001 0.000 0.261 97 G HA3 -0.250 3.711 3.960 0.001 0.000 0.261 97 G C 0.326 175.208 174.900 -0.029 0.000 0.980 97 G CA 0.396 45.479 45.100 -0.027 0.000 0.632 97 G HN 0.914 nan 8.290 nan 0.000 0.533 98 S N -0.333 115.348 115.700 -0.032 0.000 2.610 98 S HA 0.726 5.196 4.470 0.001 0.000 0.273 98 S C -0.059 174.530 174.600 -0.019 0.000 1.274 98 S CA 0.535 58.725 58.200 -0.018 0.000 1.023 98 S CB 2.159 65.349 63.200 -0.016 0.000 0.962 98 S HN 0.547 nan 8.310 nan 0.000 0.523 99 T N 2.432 117.003 114.554 0.027 0.000 2.829 99 T HA 0.544 4.894 4.350 0.001 0.000 0.280 99 T C -0.014 174.758 174.700 0.120 0.000 0.999 99 T CA -0.634 61.500 62.100 0.056 0.000 0.983 99 T CB 0.519 69.435 68.868 0.081 0.000 0.968 99 T HN 0.721 nan 8.240 nan 0.000 0.446 100 I N 1.345 121.955 120.570 0.067 0.000 2.392 100 I HA 0.854 5.024 4.170 0.001 0.000 0.295 100 I C -0.541 175.688 176.117 0.187 0.000 0.985 100 I CA -0.848 60.486 61.300 0.056 0.000 1.221 100 I CB 1.184 39.159 38.000 -0.041 0.000 1.366 100 I HN 0.682 nan 8.210 nan 0.000 0.467 101 W N 4.129 125.424 121.300 -0.008 0.000 3.075 101 W HA 0.892 5.553 4.660 0.001 0.000 0.334 101 W C -1.850 174.670 176.519 0.002 0.000 1.243 101 W CA -1.467 55.887 57.345 0.015 0.000 1.170 101 W CB 1.231 30.707 29.460 0.025 0.000 1.452 101 W HN 0.860 nan 8.180 nan 0.000 0.572 102 A N 1.325 124.300 122.820 0.258 0.000 2.589 102 A HA 0.881 5.202 4.320 0.001 0.000 0.296 102 A C -0.236 177.508 177.584 0.267 0.000 1.062 102 A CA 0.051 52.140 52.037 0.087 0.000 0.686 102 A CB 0.999 19.982 19.000 -0.029 0.000 1.282 102 A HN 2.393 nan 8.150 nan 0.000 0.404 103 G N 0.677 109.608 108.800 0.218 0.000 2.343 103 G HA2 0.222 4.182 3.960 0.001 0.000 0.465 103 G HA3 0.222 4.182 3.960 0.001 0.000 0.465 103 G C -1.209 173.804 174.900 0.190 0.000 1.282 103 G CA -0.800 44.408 45.100 0.180 0.000 0.996 103 G HN 0.828 nan 8.290 nan 0.000 0.521 104 K N 0.355 120.801 120.400 0.076 0.000 2.297 104 K HA 0.547 4.867 4.320 0.001 0.000 0.286 104 K C 0.307 176.873 176.600 -0.058 0.000 1.053 104 K CA -0.164 56.129 56.287 0.011 0.000 0.940 104 K CB 1.679 34.135 32.500 -0.074 0.000 1.019 104 K HN 0.688 nan 8.250 nan 0.000 0.475 105 R N 2.607 123.087 120.500 -0.033 0.000 2.604 105 R HA 0.228 4.569 4.340 0.001 0.000 0.270 105 R C -1.293 175.016 176.300 0.016 0.000 1.052 105 R CA -0.682 55.337 56.100 -0.136 0.000 0.902 105 R CB 0.944 31.061 30.300 -0.304 0.000 1.233 105 R HN 0.303 nan 8.270 nan 0.000 0.455 106 F N 4.251 124.070 119.950 -0.219 0.000 2.494 106 F HA 0.132 4.660 4.527 0.001 0.000 0.351 106 F C -0.166 175.490 175.800 -0.238 0.000 1.205 106 F CA -0.408 57.461 58.000 -0.218 0.000 1.125 106 F CB -0.201 38.658 39.000 -0.235 0.000 1.268 106 F HN 0.356 nan 8.300 nan 0.000 0.593 107 Y N 4.022 124.215 120.300 -0.178 0.000 2.404 107 Y HA 0.235 4.786 4.550 0.001 0.000 0.344 107 Y C 0.604 176.328 175.900 -0.293 0.000 0.970 107 Y CA -0.949 56.969 58.100 -0.303 0.000 1.180 107 Y CB 0.246 38.555 38.460 -0.252 0.000 1.138 107 Y HN 0.633 nan 8.280 nan 0.000 0.510 108 Q N 4.503 123.840 119.800 -0.773 0.000 2.429 108 Q HA -0.302 4.038 4.340 0.001 0.000 0.365 108 Q C -0.471 175.255 176.000 -0.456 0.000 1.384 108 Q CA 0.755 56.133 55.803 -0.707 0.000 1.089 108 Q CB -0.682 27.464 28.738 -0.986 0.000 1.264 108 Q HN 0.719 nan 8.270 nan 0.000 0.342 109 R N 1.221 121.521 120.500 -0.333 0.000 2.441 109 R HA 0.318 4.659 4.340 0.001 0.000 0.284 109 R C -0.099 176.087 176.300 -0.190 0.000 1.070 109 R CA -0.222 55.758 56.100 -0.200 0.000 1.047 109 R CB 0.759 30.971 30.300 -0.147 0.000 1.016 109 R HN 0.320 nan 8.270 nan 0.000 0.477 110 H N 2.020 120.860 119.070 -0.383 0.000 2.505 110 H HA 0.192 4.749 4.556 0.001 0.000 0.338 110 H C -0.636 174.175 175.328 -0.862 0.000 1.057 110 H CA -0.851 54.848 56.048 -0.582 0.000 1.202 110 H CB 1.849 31.221 29.762 -0.650 0.000 1.466 110 H HN 0.698 nan 8.280 nan 0.000 0.499 111 D N 1.593 121.661 120.400 -0.552 0.000 2.559 111 D HA 0.236 4.877 4.640 0.001 0.000 0.250 111 D C -0.862 175.337 176.300 -0.169 0.000 1.135 111 D CA -0.800 52.839 54.000 -0.602 0.000 0.955 111 D CB 2.000 41.991 40.800 -1.349 0.000 1.442 111 D HN 0.167 nan 8.370 nan 0.000 0.471 112 V N 1.762 121.585 119.914 -0.151 0.000 2.313 112 V HA 0.092 4.212 4.120 0.001 0.000 0.278 112 V C 1.290 177.361 176.094 -0.038 0.000 1.017 112 V CA -0.509 61.694 62.300 -0.162 0.000 0.823 112 V CB 0.468 32.170 31.823 -0.201 0.000 1.010 112 V HN 0.765 nan 8.190 nan 0.000 0.443 113 H N 5.803 124.903 119.070 0.050 0.000 2.289 113 H HA -0.255 4.302 4.556 0.001 0.000 0.296 113 H C 2.057 177.416 175.328 0.052 0.000 1.091 113 H CA 3.038 59.134 56.048 0.080 0.000 1.274 113 H CB 0.168 30.083 29.762 0.254 0.000 1.364 113 H HN 0.683 nan 8.280 nan 0.000 0.490 114 M N 0.081 119.659 119.600 -0.036 0.000 2.374 114 M HA 0.024 4.504 4.480 0.001 0.000 0.264 114 M C 1.305 177.524 176.300 -0.136 0.000 1.067 114 M CA 1.888 57.158 55.300 -0.050 0.000 1.103 114 M CB -0.117 32.560 32.600 0.128 0.000 1.402 114 M HN 0.468 nan 8.290 nan 0.000 0.444 115 I N -3.009 117.446 120.570 -0.193 0.000 3.974 115 I HA 0.352 4.523 4.170 0.001 0.000 0.334 115 I C -0.267 175.785 176.117 -0.108 0.000 1.437 115 I CA -0.440 60.701 61.300 -0.264 0.000 1.113 115 I CB -0.171 37.580 38.000 -0.415 0.000 1.063 115 I HN 0.040 nan 8.210 nan 0.000 0.400 116 D N 2.426 122.742 120.400 -0.140 0.000 2.704 116 D HA -0.295 4.345 4.640 0.001 0.000 0.232 116 D C -0.913 175.409 176.300 0.038 0.000 1.183 116 D CA 0.878 54.812 54.000 -0.109 0.000 0.647 116 D CB -0.954 39.794 40.800 -0.086 0.000 1.013 116 D HN 0.516 nan 8.370 nan 0.000 0.415 117 F N 1.920 121.764 119.950 -0.176 0.000 2.460 117 F HA 0.438 4.966 4.527 0.001 0.000 0.341 117 F C -1.100 174.624 175.800 -0.127 0.000 1.130 117 F CA -0.991 56.978 58.000 -0.052 0.000 0.962 117 F CB 0.727 39.723 39.000 -0.006 0.000 1.171 117 F HN -0.122 nan 8.300 nan 0.000 0.436 118 Y N 6.487 126.470 120.300 -0.529 0.000 2.336 118 Y HA 0.181 4.732 4.550 0.001 0.000 0.335 118 Y C 0.337 175.821 175.900 -0.694 0.000 1.046 118 Y CA -0.148 57.645 58.100 -0.512 0.000 1.198 118 Y CB 0.524 38.741 38.460 -0.405 0.000 1.182 118 Y HN 0.656 nan 8.280 nan 0.000 0.502 119 Y N -0.653 119.448 120.300 -0.332 0.000 2.430 119 Y HA 0.304 4.854 4.550 0.001 0.000 0.248 119 Y C -0.308 175.613 175.900 0.035 0.000 1.108 119 Y CA -1.023 56.935 58.100 -0.238 0.000 1.264 119 Y CB 0.491 38.907 38.460 -0.074 0.000 1.172 119 Y HN 0.476 nan 8.280 nan 0.000 0.520 120 W N 2.935 124.016 121.300 -0.365 0.000 2.642 120 W HA 0.485 5.145 4.660 0.001 0.000 0.304 120 W C -2.062 174.347 176.519 -0.183 0.000 1.023 120 W CA -1.670 55.523 57.345 -0.253 0.000 1.290 120 W CB 1.161 30.387 29.460 -0.389 0.000 1.190 120 W HN 0.044 nan 8.180 nan 0.000 0.374 121 D N 5.003 125.433 120.400 0.050 0.000 2.479 121 D HA 0.250 4.891 4.640 0.001 0.000 0.246 121 D C 0.223 176.479 176.300 -0.072 0.000 1.336 121 D CA -0.256 53.684 54.000 -0.100 0.000 0.967 121 D CB 0.723 41.421 40.800 -0.170 0.000 1.275 121 D HN 0.370 nan 8.370 nan 0.000 0.577 122 I N 0.141 120.670 120.570 -0.068 0.000 3.889 122 I HA 0.377 4.548 4.170 0.001 0.000 0.332 122 I C 0.007 176.106 176.117 -0.029 0.000 1.493 122 I CA -0.532 60.749 61.300 -0.032 0.000 1.158 122 I CB 0.412 38.412 38.000 0.000 0.000 1.117 122 I HN -0.039 nan 8.210 nan 0.000 0.411 123 S N 1.979 117.648 115.700 -0.051 0.000 2.558 123 S HA 0.577 5.048 4.470 0.001 0.000 0.288 123 S C 0.572 175.174 174.600 0.003 0.000 1.318 123 S CA 0.478 58.677 58.200 -0.001 0.000 1.056 123 S CB 0.832 64.009 63.200 -0.038 0.000 0.853 123 S HN 0.839 nan 8.310 nan 0.000 0.505 124 G N 2.149 110.974 108.800 0.041 0.000 2.333 124 G HA2 0.353 4.314 3.960 0.001 0.000 0.288 124 G HA3 0.353 4.314 3.960 0.001 0.000 0.288 124 G C -3.611 171.316 174.900 0.045 0.000 1.286 124 G CA -1.021 44.092 45.100 0.022 0.000 0.865 124 G HN 0.449 nan 8.290 nan 0.000 0.506 125 P HA 0.476 nan 4.420 nan 0.000 0.265 125 P C 0.468 177.784 177.300 0.028 0.000 1.193 125 P CA 1.158 64.277 63.100 0.031 0.000 0.765 125 P CB 1.204 32.904 31.700 -0.001 0.000 0.823 126 G N 0.394 109.229 108.800 0.057 0.000 2.489 126 G HA2 0.683 4.643 3.960 0.001 0.000 0.305 126 G HA3 0.683 4.643 3.960 0.001 0.000 0.305 126 G C -2.128 172.554 174.900 -0.364 0.000 1.311 126 G CA -0.025 45.029 45.100 -0.076 0.000 0.813 126 G HN 0.603 nan 8.290 nan 0.000 0.480 127 A N -1.994 120.302 122.820 -0.873 0.000 2.608 127 A HA 1.091 5.412 4.320 0.001 0.000 0.292 127 A C -0.167 176.539 177.584 -1.463 0.000 1.066 127 A CA 0.455 51.699 52.037 -1.322 0.000 0.676 127 A CB 1.390 20.024 19.000 -0.611 0.000 1.277 127 A HN 2.596 nan 8.150 nan 0.000 0.413 128 G N -1.280 106.577 108.800 -1.571 0.000 2.430 128 G HA2 0.644 4.605 3.960 0.001 0.000 0.300 128 G HA3 0.644 4.605 3.960 0.001 0.000 0.300 128 G C -2.394 172.241 174.900 -0.442 0.000 1.330 128 G CA -0.082 44.527 45.100 -0.818 0.000 0.813 128 G HN 1.929 nan 8.290 nan 0.000 0.487 129 L N 0.504 121.677 121.223 -0.084 0.000 2.415 129 L HA 0.737 5.078 4.340 0.001 0.000 0.268 129 L C -0.352 176.606 176.870 0.147 0.000 0.984 129 L CA -0.657 54.202 54.840 0.032 0.000 0.853 129 L CB 1.477 43.535 42.059 -0.003 0.000 1.215 129 L HN 0.705 nan 8.230 nan 0.000 0.419 130 E N 3.208 123.538 120.200 0.217 0.000 2.202 130 E HA 0.404 4.754 4.350 0.001 0.000 0.272 130 E C -0.220 176.443 176.600 0.104 0.000 0.951 130 E CA -0.531 56.004 56.400 0.225 0.000 0.813 130 E CB 0.920 30.799 29.700 0.297 0.000 1.151 130 E HN 0.712 nan 8.360 nan 0.000 0.398 131 N N 1.886 120.628 118.700 0.070 0.000 2.738 131 N HA -0.192 4.548 4.740 0.001 0.000 0.249 131 N C -1.079 174.437 175.510 0.010 0.000 1.047 131 N CA 0.322 53.382 53.050 0.017 0.000 0.707 131 N CB -1.125 37.357 38.487 -0.008 0.000 0.937 131 N HN 0.420 nan 8.380 nan 0.000 0.545 132 I N 0.126 120.709 120.570 0.021 0.000 2.452 132 I HA 0.017 4.188 4.170 0.001 0.000 0.287 132 I C 0.734 176.838 176.117 -0.020 0.000 1.079 132 I CA -0.152 61.156 61.300 0.013 0.000 1.387 132 I CB 0.373 38.395 38.000 0.036 0.000 1.404 132 I HN 0.178 nan 8.210 nan 0.000 0.522 133 D N 6.508 126.895 120.400 -0.021 0.000 2.358 133 D HA 0.041 4.681 4.640 0.001 0.000 0.258 133 D C 0.205 176.463 176.300 -0.070 0.000 1.223 133 D CA 0.322 54.293 54.000 -0.049 0.000 0.886 133 D CB 1.422 42.207 40.800 -0.026 0.000 1.120 133 D HN 0.232 nan 8.370 nan 0.000 0.482 134 V N 3.799 123.613 119.914 -0.167 0.000 3.176 134 V HA 0.315 4.436 4.120 0.001 0.000 0.332 134 V C 1.453 177.371 176.094 -0.294 0.000 1.414 134 V CA 0.787 62.947 62.300 -0.234 0.000 1.133 134 V CB 0.060 31.688 31.823 -0.326 0.000 1.088 134 V HN 0.927 nan 8.190 nan 0.000 0.473 135 G N 1.848 110.549 108.800 -0.167 0.000 4.365 135 G HA2 -0.385 3.576 3.960 0.001 0.000 0.214 135 G HA3 -0.385 3.576 3.960 0.001 0.000 0.214 135 G C 0.576 175.477 174.900 0.002 0.000 1.450 135 G CA 0.662 45.747 45.100 -0.026 0.000 0.937 135 G HN 0.819 nan 8.290 nan 0.000 0.625 136 F N 1.936 121.908 119.950 0.036 0.000 2.692 136 F HA 0.637 5.165 4.527 0.001 0.000 0.303 136 F C 0.950 176.774 175.800 0.040 0.000 1.114 136 F CA 0.161 58.182 58.000 0.036 0.000 1.361 136 F CB 0.104 39.126 39.000 0.037 0.000 1.063 136 F HN 1.011 nan 8.300 nan 0.000 0.550 137 G N 0.164 108.736 108.800 -0.380 0.000 2.320 137 G HA2 0.355 4.316 3.960 0.001 0.000 0.296 137 G HA3 0.355 4.316 3.960 0.001 0.000 0.296 137 G C -1.908 172.852 174.900 -0.234 0.000 1.306 137 G CA -1.281 43.681 45.100 -0.229 0.000 0.836 137 G HN -0.060 nan 8.290 nan 0.000 0.517 138 K N 0.183 120.512 120.400 -0.118 0.000 2.274 138 K HA 0.618 4.939 4.320 0.001 0.000 0.262 138 K C -1.131 175.449 176.600 -0.034 0.000 0.961 138 K CA -0.712 55.529 56.287 -0.075 0.000 0.833 138 K CB 2.238 34.712 32.500 -0.043 0.000 1.102 138 K HN 0.469 nan 8.250 nan 0.000 0.436 139 L N 1.220 122.429 121.223 -0.023 0.000 2.307 139 L HA 0.450 4.790 4.340 0.001 0.000 0.284 139 L C -0.721 176.194 176.870 0.074 0.000 1.023 139 L CA 0.212 55.073 54.840 0.035 0.000 0.810 139 L CB 1.675 43.749 42.059 0.025 0.000 1.231 139 L HN 0.490 nan 8.230 nan 0.000 0.423 140 S N 5.361 121.133 115.700 0.121 0.000 2.538 140 S HA 0.748 5.218 4.470 0.001 0.000 0.288 140 S C -1.000 173.715 174.600 0.192 0.000 1.108 140 S CA -0.554 57.750 58.200 0.174 0.000 0.971 140 S CB 1.412 64.745 63.200 0.222 0.000 1.041 140 S HN 0.544 nan 8.310 nan 0.000 0.483 141 L N 2.311 123.634 121.223 0.166 0.000 2.365 141 L HA 0.956 5.297 4.340 0.001 0.000 0.273 141 L C -0.168 176.734 176.870 0.052 0.000 1.000 141 L CA -0.657 54.254 54.840 0.119 0.000 0.819 141 L CB 1.710 43.818 42.059 0.081 0.000 1.284 141 L HN 0.755 nan 8.230 nan 0.000 0.418 142 A N 2.279 125.099 122.820 -0.001 0.000 2.587 142 A HA 0.956 5.276 4.320 0.001 0.000 0.293 142 A C -1.472 176.041 177.584 -0.119 0.000 1.087 142 A CA -0.464 51.473 52.037 -0.168 0.000 0.692 142 A CB 2.000 20.759 19.000 -0.401 0.000 1.291 142 A HN 0.769 nan 8.150 nan 0.000 0.407 143 A N 0.781 123.475 122.820 -0.210 0.000 2.359 143 A HA 0.881 5.201 4.320 0.001 0.000 0.303 143 A C -0.133 177.299 177.584 -0.253 0.000 1.066 143 A CA 0.155 52.064 52.037 -0.213 0.000 0.730 143 A CB 0.981 19.921 19.000 -0.101 0.000 1.211 143 A HN 2.053 nan 8.150 nan 0.000 0.439 144 T N -0.575 113.822 114.554 -0.261 0.000 2.901 144 T HA 0.825 5.175 4.350 0.001 0.000 0.293 144 T C -0.470 174.103 174.700 -0.212 0.000 1.084 144 T CA -0.847 61.148 62.100 -0.175 0.000 1.008 144 T CB 1.731 70.543 68.868 -0.092 0.000 1.170 144 T HN 0.885 nan 8.240 nan 0.000 0.509 145 R N 0.559 120.974 120.500 -0.143 0.000 2.670 145 R HA 0.770 5.110 4.340 0.001 0.000 0.289 145 R C -0.708 175.529 176.300 -0.105 0.000 0.965 145 R CA -0.137 55.879 56.100 -0.140 0.000 0.899 145 R CB 1.749 31.983 30.300 -0.110 0.000 1.173 145 R HN 1.102 nan 8.270 nan 0.000 0.456 146 S N 1.168 116.802 115.700 -0.110 0.000 2.697 146 S HA 0.799 5.270 4.470 0.001 0.000 0.289 146 S C -1.181 173.373 174.600 -0.077 0.000 1.149 146 S CA -0.426 57.724 58.200 -0.084 0.000 0.850 146 S CB 1.602 64.751 63.200 -0.085 0.000 1.151 146 S HN 0.955 nan 8.310 nan 0.000 0.491 147 S N -0.195 115.470 115.700 -0.059 0.000 2.543 147 S HA 0.531 5.002 4.470 0.001 0.000 0.271 147 S C -1.362 173.219 174.600 -0.032 0.000 1.148 147 S CA -0.788 57.382 58.200 -0.049 0.000 0.914 147 S CB 1.213 64.386 63.200 -0.045 0.000 1.096 147 S HN 0.788 nan 8.310 nan 0.000 0.471 148 E N 1.616 121.803 120.200 -0.022 0.000 2.343 148 E HA 0.544 4.894 4.350 0.001 0.000 0.269 148 E C 1.229 177.847 176.600 0.031 0.000 1.047 148 E CA -0.309 56.095 56.400 0.005 0.000 0.874 148 E CB 1.047 30.752 29.700 0.007 0.000 1.033 148 E HN 0.785 nan 8.360 nan 0.000 0.409 149 A N 2.631 125.485 122.820 0.056 0.000 1.972 149 A HA -0.005 4.315 4.320 0.001 0.000 0.219 149 A C 1.065 178.685 177.584 0.060 0.000 1.169 149 A CA 1.767 53.825 52.037 0.035 0.000 0.635 149 A CB -0.290 18.729 19.000 0.031 0.000 0.810 149 A HN 0.662 nan 8.150 nan 0.000 0.446 150 G N -4.812 104.146 108.800 0.263 0.000 3.107 150 G HA2 0.523 4.484 3.960 0.001 0.000 0.233 150 G HA3 0.523 4.484 3.960 0.001 0.000 0.233 150 G C 0.727 175.791 174.900 0.272 0.000 1.168 150 G CA 0.336 45.653 45.100 0.363 0.000 0.801 150 G HN 1.421 nan 8.290 nan 0.000 0.605 151 G N -1.513 107.462 108.800 0.291 0.000 2.253 151 G HA2 -0.107 3.853 3.960 0.001 0.000 0.209 151 G HA3 -0.107 3.853 3.960 0.001 0.000 0.209 151 G C 0.363 175.425 174.900 0.269 0.000 0.997 151 G CA 0.729 45.935 45.100 0.178 0.000 0.640 151 G HN 1.331 nan 8.290 nan 0.000 0.496 152 S N 0.058 115.910 115.700 0.253 0.000 2.472 152 S HA 0.753 5.223 4.470 0.001 0.000 0.303 152 S C -0.116 174.500 174.600 0.026 0.000 1.099 152 S CA 0.306 58.650 58.200 0.240 0.000 1.077 152 S CB 1.894 65.245 63.200 0.251 0.000 1.031 152 S HN 0.854 nan 8.310 nan 0.000 0.487 153 S N 1.194 116.714 115.700 -0.300 0.000 2.549 153 S HA 0.393 4.864 4.470 0.001 0.000 0.297 153 S C 1.042 175.192 174.600 -0.751 0.000 1.115 153 S CA -0.659 57.058 58.200 -0.805 0.000 1.059 153 S CB 0.982 63.219 63.200 -1.605 0.000 1.046 153 S HN 0.713 nan 8.310 nan 0.000 0.506 154 S N 2.764 117.901 115.700 -0.939 0.000 2.527 154 S HA 0.235 4.706 4.470 0.001 0.000 0.222 154 S C 0.168 174.485 174.600 -0.472 0.000 0.985 154 S CA -0.212 57.338 58.200 -1.082 0.000 0.921 154 S CB -0.704 62.020 63.200 -0.794 0.000 0.772 154 S HN 0.717 nan 8.310 nan 0.000 0.529 155 F N -0.441 119.294 119.950 -0.358 0.000 2.613 155 F HA 0.901 5.428 4.527 0.001 0.000 0.314 155 F C -0.239 175.460 175.800 -0.169 0.000 1.075 155 F CA -2.172 55.699 58.000 -0.215 0.000 0.945 155 F CB 0.728 39.629 39.000 -0.165 0.000 1.310 155 F HN -0.001 nan 8.300 nan 0.000 0.467 156 A N 1.717 124.617 122.820 0.134 0.000 2.520 156 A HA 0.494 4.814 4.320 0.001 0.000 0.245 156 A C 0.149 177.846 177.584 0.187 0.000 1.072 156 A CA 0.638 52.735 52.037 0.099 0.000 0.761 156 A CB -0.409 18.650 19.000 0.098 0.000 1.004 156 A HN 1.161 nan 8.150 nan 0.000 0.499 157 S N 1.461 117.231 115.700 0.116 0.000 2.537 157 S HA 0.410 4.881 4.470 0.001 0.000 0.271 157 S C -0.012 174.708 174.600 0.199 0.000 1.148 157 S CA -0.790 57.510 58.200 0.167 0.000 0.868 157 S CB 0.932 64.176 63.200 0.073 0.000 1.115 157 S HN 0.687 nan 8.310 nan 0.000 0.461 158 N N 2.349 121.137 118.700 0.147 0.000 2.220 158 N HA 0.065 4.805 4.740 0.001 0.000 0.195 158 N C -0.134 175.417 175.510 0.069 0.000 1.123 158 N CA -0.082 53.023 53.050 0.091 0.000 0.874 158 N CB 0.075 38.589 38.487 0.045 0.000 0.995 158 N HN 0.670 nan 8.380 nan 0.000 0.498 159 N N 1.662 120.432 118.700 0.116 0.000 2.408 159 N HA 0.143 4.883 4.740 0.001 0.000 0.257 159 N C 0.920 176.518 175.510 0.146 0.000 1.064 159 N CA -0.186 52.894 53.050 0.050 0.000 0.952 159 N CB 1.152 39.679 38.487 0.068 0.000 1.093 159 N HN 0.008 nan 8.380 nan 0.000 0.490 160 I N 4.345 124.910 120.570 -0.009 0.000 2.700 160 I HA -0.248 3.923 4.170 0.001 0.000 0.261 160 I C 0.701 177.003 176.117 0.307 0.000 1.219 160 I CA 0.930 62.273 61.300 0.072 0.000 1.463 160 I CB -0.032 37.915 38.000 -0.090 0.000 1.092 160 I HN 0.674 nan 8.210 nan 0.000 0.452 161 Y N 0.306 120.731 120.300 0.208 0.000 2.571 161 Y HA -0.127 4.424 4.550 0.001 0.000 0.294 161 Y C 2.018 178.026 175.900 0.179 0.000 1.141 161 Y CA 0.233 58.460 58.100 0.211 0.000 1.308 161 Y CB -0.930 37.653 38.460 0.204 0.000 1.002 161 Y HN 0.272 nan 8.280 nan 0.000 0.551 162 D N -1.654 118.907 120.400 0.267 0.000 2.348 162 D HA -0.077 4.563 4.640 0.001 0.000 0.211 162 D C -0.072 176.095 176.300 -0.222 0.000 0.998 162 D CA 0.520 54.504 54.000 -0.028 0.000 0.873 162 D CB -0.123 40.499 40.800 -0.297 0.000 0.925 162 D HN 0.289 nan 8.370 nan 0.000 0.524 163 Y N 1.052 121.368 120.300 0.028 0.000 2.767 163 Y HA 0.110 4.660 4.550 0.001 0.000 0.354 163 Y C 1.427 177.438 175.900 0.185 0.000 1.292 163 Y CA -0.073 58.044 58.100 0.029 0.000 1.749 163 Y CB -0.059 38.396 38.460 -0.008 0.000 1.841 163 Y HN -0.141 nan 8.280 nan 0.000 0.454 164 T N -4.284 110.396 114.554 0.209 0.000 3.044 164 T HA 0.163 4.514 4.350 0.001 0.000 0.260 164 T C 0.342 175.096 174.700 0.090 0.000 1.019 164 T CA -0.410 61.827 62.100 0.229 0.000 0.921 164 T CB 0.049 68.970 68.868 0.088 0.000 1.053 164 T HN 0.185 nan 8.240 nan 0.000 0.533 165 N N 3.164 121.926 118.700 0.103 0.000 2.488 165 N HA 0.138 4.879 4.740 0.001 0.000 0.274 165 N C -0.140 175.423 175.510 0.088 0.000 1.111 165 N CA -0.127 52.984 53.050 0.102 0.000 0.974 165 N CB 1.401 40.021 38.487 0.221 0.000 1.089 165 N HN 0.558 nan 8.380 nan 0.000 0.465 166 E N 0.843 121.062 120.200 0.031 0.000 2.502 166 E HA -0.073 4.277 4.350 0.001 0.000 0.261 166 E C -0.407 176.194 176.600 0.002 0.000 0.974 166 E CA 0.354 56.761 56.400 0.012 0.000 0.936 166 E CB 0.529 30.215 29.700 -0.023 0.000 0.926 166 E HN 0.468 nan 8.360 nan 0.000 0.459 167 T N 2.469 117.027 114.554 0.006 0.000 2.815 167 T HA 0.575 4.926 4.350 0.001 0.000 0.289 167 T C -0.403 174.273 174.700 -0.040 0.000 1.000 167 T CA -0.393 61.698 62.100 -0.015 0.000 0.958 167 T CB 0.990 69.865 68.868 0.012 0.000 0.944 167 T HN 0.559 nan 8.240 nan 0.000 0.442 168 A N 4.803 127.586 122.820 -0.061 0.000 2.511 168 A HA 0.479 4.800 4.320 0.001 0.000 0.242 168 A C 0.160 177.694 177.584 -0.084 0.000 1.069 168 A CA -0.213 51.780 52.037 -0.073 0.000 0.763 168 A CB -0.338 18.615 19.000 -0.079 0.000 1.001 168 A HN 0.913 nan 8.150 nan 0.000 0.498 169 N N 1.361 119.998 118.700 -0.105 0.000 2.314 169 N HA 0.468 5.208 4.740 0.001 0.000 0.294 169 N C -1.599 173.794 175.510 -0.196 0.000 1.029 169 N CA -0.544 52.421 53.050 -0.140 0.000 0.845 169 N CB 1.661 40.064 38.487 -0.140 0.000 1.321 169 N HN 0.567 nan 8.380 nan 0.000 0.481 170 D N 0.579 120.825 120.400 -0.257 0.000 2.181 170 D HA 0.452 5.093 4.640 0.001 0.000 0.248 170 D C -0.598 175.343 176.300 -0.598 0.000 1.020 170 D CA -0.238 53.502 54.000 -0.433 0.000 0.891 170 D CB 2.028 42.559 40.800 -0.448 0.000 1.187 170 D HN 0.032 nan 8.370 nan 0.000 0.443 171 V N 2.330 121.820 119.914 -0.707 0.000 2.588 171 V HA 0.430 4.550 4.120 0.001 0.000 0.304 171 V C -0.908 174.734 176.094 -0.753 0.000 1.042 171 V CA -0.746 61.200 62.300 -0.589 0.000 0.877 171 V CB 1.302 32.947 31.823 -0.297 0.000 0.996 171 V HN 0.332 nan 8.190 nan 0.000 0.425 172 F N 3.046 122.955 119.950 -0.069 0.000 2.449 172 F HA 0.545 5.073 4.527 0.001 0.000 0.342 172 F C 0.066 175.892 175.800 0.043 0.000 1.127 172 F CA -0.613 57.381 58.000 -0.009 0.000 0.975 172 F CB 1.535 40.553 39.000 0.031 0.000 1.146 172 F HN 0.428 nan 8.300 nan 0.000 0.444 173 D N 3.231 123.745 120.400 0.190 0.000 2.649 173 D HA 0.565 5.205 4.640 0.001 0.000 0.249 173 D C -1.705 174.730 176.300 0.226 0.000 1.112 173 D CA -0.298 53.824 54.000 0.203 0.000 0.850 173 D CB 2.495 43.382 40.800 0.146 0.000 1.399 173 D HN 0.332 nan 8.370 nan 0.000 0.503 174 V N 4.619 124.698 119.914 0.273 0.000 2.525 174 V HA 0.534 4.655 4.120 0.001 0.000 0.299 174 V C -0.197 176.078 176.094 0.301 0.000 1.034 174 V CA -0.734 61.719 62.300 0.255 0.000 0.863 174 V CB 1.864 33.828 31.823 0.234 0.000 0.999 174 V HN 0.480 nan 8.190 nan 0.000 0.423 175 R N 3.939 124.601 120.500 0.270 0.000 2.750 175 R HA 0.783 5.124 4.340 0.001 0.000 0.281 175 R C -1.654 174.773 176.300 0.211 0.000 0.972 175 R CA -0.958 55.319 56.100 0.296 0.000 0.912 175 R CB 2.653 33.116 30.300 0.271 0.000 1.187 175 R HN 0.490 nan 8.270 nan 0.000 0.464 176 L N 1.787 123.140 121.223 0.216 0.000 2.415 176 L HA 0.706 5.047 4.340 0.001 0.000 0.268 176 L C -1.255 175.708 176.870 0.156 0.000 0.984 176 L CA -0.175 54.759 54.840 0.157 0.000 0.853 176 L CB 1.483 43.651 42.059 0.181 0.000 1.215 176 L HN 0.872 nan 8.230 nan 0.000 0.419 177 A N 3.022 125.903 122.820 0.102 0.000 2.387 177 A HA 0.742 5.062 4.320 0.001 0.000 0.298 177 A C -0.050 177.567 177.584 0.054 0.000 1.165 177 A CA -0.235 51.860 52.037 0.097 0.000 0.814 177 A CB 1.196 20.241 19.000 0.075 0.000 1.357 177 A HN 0.723 nan 8.150 nan 0.000 0.443 178 Q N -1.446 118.383 119.800 0.048 0.000 2.503 178 Q HA -0.163 4.178 4.340 0.001 0.000 0.267 178 Q C -0.701 175.332 176.000 0.054 0.000 1.030 178 Q CA 0.962 56.780 55.803 0.024 0.000 1.041 178 Q CB -1.519 27.214 28.738 -0.008 0.000 1.406 178 Q HN 0.731 nan 8.270 nan 0.000 0.524 179 M N 1.375 121.034 119.600 0.098 0.000 2.156 179 M HA 0.097 4.578 4.480 0.001 0.000 0.345 179 M C 0.063 176.430 176.300 0.111 0.000 1.398 179 M CA 0.414 55.803 55.300 0.147 0.000 1.148 179 M CB 0.492 33.215 32.600 0.203 0.000 1.663 179 M HN -0.042 nan 8.290 nan 0.000 0.464 180 E N 3.182 123.442 120.200 0.100 0.000 2.166 180 E HA 0.085 4.435 4.350 0.001 0.000 0.279 180 E C 0.352 177.006 176.600 0.090 0.000 1.095 180 E CA 0.159 56.606 56.400 0.079 0.000 0.888 180 E CB 0.548 30.286 29.700 0.063 0.000 1.041 180 E HN 0.531 nan 8.360 nan 0.000 0.414 181 I N 2.556 123.187 120.570 0.101 0.000 4.288 181 I HA 0.108 4.279 4.170 0.001 0.000 0.331 181 I C -0.188 175.990 176.117 0.101 0.000 1.322 181 I CA 0.408 61.773 61.300 0.108 0.000 1.149 181 I CB -0.460 37.628 38.000 0.147 0.000 1.112 181 I HN 0.555 nan 8.210 nan 0.000 0.403 182 N N 0.677 119.442 118.700 0.108 0.000 3.171 182 N HA 0.175 4.916 4.740 0.001 0.000 0.239 182 N C -3.298 172.265 175.510 0.088 0.000 1.275 182 N CA -0.963 52.145 53.050 0.097 0.000 0.920 182 N CB 1.215 39.771 38.487 0.115 0.000 1.554 182 N HN -0.323 nan 8.380 nan 0.000 0.504 183 P HA 0.161 nan 4.420 nan 0.000 0.258 183 P C 0.905 178.245 177.300 0.066 0.000 1.187 183 P CA 1.372 64.506 63.100 0.056 0.000 0.767 183 P CB -0.092 31.636 31.700 0.045 0.000 0.770 184 G N 2.427 111.259 108.800 0.054 0.000 2.153 184 G HA2 -0.100 3.860 3.960 0.001 0.000 0.252 184 G HA3 -0.100 3.860 3.960 0.001 0.000 0.252 184 G C 0.385 175.313 174.900 0.047 0.000 0.994 184 G CA -0.224 44.907 45.100 0.051 0.000 0.698 184 G HN 0.921 nan 8.290 nan 0.000 0.521 185 G N -0.318 108.510 108.800 0.046 0.000 2.683 185 G HA2 0.809 4.770 3.960 0.001 0.000 0.299 185 G HA3 0.809 4.770 3.960 0.001 0.000 0.299 185 G C -0.261 174.600 174.900 -0.065 0.000 1.432 185 G CA 0.616 45.711 45.100 -0.008 0.000 0.978 185 G HN 1.198 nan 8.290 nan 0.000 0.513 186 T N -0.583 113.845 114.554 -0.210 0.000 2.940 186 T HA 0.755 5.106 4.350 0.001 0.000 0.288 186 T C -0.773 173.864 174.700 -0.106 0.000 1.033 186 T CA -0.863 61.181 62.100 -0.094 0.000 1.033 186 T CB 2.128 70.961 68.868 -0.058 0.000 1.079 186 T HN 0.591 nan 8.240 nan 0.000 0.496 187 L N 0.887 122.141 121.223 0.053 0.000 2.365 187 L HA 0.740 5.080 4.340 0.001 0.000 0.273 187 L C -0.631 176.324 176.870 0.142 0.000 1.000 187 L CA -0.581 54.339 54.840 0.134 0.000 0.819 187 L CB 1.881 44.055 42.059 0.192 0.000 1.284 187 L HN 1.001 nan 8.230 nan 0.000 0.418 188 E N 3.754 124.057 120.200 0.173 0.000 2.248 188 E HA 0.589 4.939 4.350 0.001 0.000 0.267 188 E C -1.956 174.767 176.600 0.204 0.000 0.877 188 E CA -0.720 55.805 56.400 0.207 0.000 0.759 188 E CB 1.574 31.437 29.700 0.272 0.000 1.182 188 E HN 0.535 nan 8.360 nan 0.000 0.418 189 L N 2.782 124.134 121.223 0.215 0.000 2.362 189 L HA 0.792 5.132 4.340 0.001 0.000 0.271 189 L C 0.014 177.039 176.870 0.259 0.000 1.002 189 L CA -0.367 54.584 54.840 0.185 0.000 0.818 189 L CB 1.925 44.089 42.059 0.176 0.000 1.298 189 L HN 0.678 nan 8.230 nan 0.000 0.420 190 G N 1.636 110.546 108.800 0.183 0.000 2.659 190 G HA2 0.669 4.630 3.960 0.001 0.000 0.296 190 G HA3 0.669 4.630 3.960 0.001 0.000 0.296 190 G C -2.012 173.039 174.900 0.251 0.000 1.369 190 G CA -0.454 44.846 45.100 0.332 0.000 0.937 190 G HN 0.306 nan 8.290 nan 0.000 0.485 191 V N 1.435 121.551 119.914 0.336 0.000 2.531 191 V HA 0.502 4.623 4.120 0.001 0.000 0.301 191 V C -1.217 175.044 176.094 0.278 0.000 1.034 191 V CA -0.906 61.582 62.300 0.313 0.000 0.865 191 V CB 1.998 34.079 31.823 0.429 0.000 0.995 191 V HN 0.708 nan 8.190 nan 0.000 0.424 192 D N 2.781 123.274 120.400 0.155 0.000 2.505 192 D HA 0.340 4.980 4.640 0.001 0.000 0.249 192 D C -1.482 174.816 176.300 -0.003 0.000 1.082 192 D CA -0.244 53.829 54.000 0.121 0.000 0.839 192 D CB 2.817 43.683 40.800 0.109 0.000 1.317 192 D HN 0.535 nan 8.370 nan 0.000 0.497 193 Y N 1.210 121.374 120.300 -0.227 0.000 2.328 193 Y HA 0.519 5.070 4.550 0.001 0.000 0.337 193 Y C -0.291 175.434 175.900 -0.292 0.000 0.966 193 Y CA -0.728 57.011 58.100 -0.602 0.000 1.136 193 Y CB 1.496 39.444 38.460 -0.853 0.000 1.170 193 Y HN 0.375 nan 8.280 nan 0.000 0.470 194 G N 6.159 114.433 108.800 -0.877 0.000 2.482 194 G HA2 0.729 4.690 3.960 0.001 0.000 0.317 194 G HA3 0.729 4.690 3.960 0.001 0.000 0.317 194 G C -1.703 172.706 174.900 -0.820 0.000 1.241 194 G CA -1.298 43.383 45.100 -0.699 0.000 0.967 194 G HN 0.842 nan 8.290 nan 0.000 0.482 195 R N 0.040 120.217 120.500 -0.540 0.000 2.643 195 R HA 0.731 5.071 4.340 0.001 0.000 0.269 195 R C -0.450 175.738 176.300 -0.187 0.000 1.037 195 R CA -0.905 54.989 56.100 -0.345 0.000 0.894 195 R CB 1.358 31.489 30.300 -0.281 0.000 1.238 195 R HN 0.791 nan 8.270 nan 0.000 0.459 196 A N 1.901 124.648 122.820 -0.122 0.000 2.462 196 A HA 0.175 4.496 4.320 0.001 0.000 0.243 196 A C -0.390 177.166 177.584 -0.047 0.000 1.076 196 A CA -0.219 51.772 52.037 -0.077 0.000 0.773 196 A CB 0.104 19.074 19.000 -0.049 0.000 1.010 196 A HN 0.708 nan 8.150 nan 0.000 0.493 197 N N 2.614 121.288 118.700 -0.043 0.000 2.696 197 N HA 0.335 5.076 4.740 0.001 0.000 0.246 197 N C -1.186 174.304 175.510 -0.033 0.000 1.057 197 N CA -0.253 52.783 53.050 -0.024 0.000 0.867 197 N CB 0.204 38.675 38.487 -0.026 0.000 1.141 197 N HN 0.573 nan 8.380 nan 0.000 0.517 198 L N 2.600 123.815 121.223 -0.013 0.000 2.380 198 L HA 0.365 4.705 4.340 0.001 0.000 0.273 198 L C 1.376 178.212 176.870 -0.057 0.000 1.138 198 L CA -0.514 54.317 54.840 -0.015 0.000 0.832 198 L CB 0.731 42.819 42.059 0.047 0.000 1.124 198 L HN 0.251 nan 8.230 nan 0.000 0.454 199 R N 0.928 121.319 120.500 -0.181 0.000 2.784 199 R HA -0.011 4.330 4.340 0.001 0.000 0.266 199 R C -0.286 175.994 176.300 -0.032 0.000 1.044 199 R CA -0.627 55.330 56.100 -0.239 0.000 1.151 199 R CB 0.210 30.109 30.300 -0.668 0.000 1.037 199 R HN 0.490 nan 8.270 nan 0.000 0.478 200 D N 1.624 122.032 120.400 0.013 0.000 2.531 200 D HA -0.102 4.538 4.640 0.001 0.000 0.239 200 D C 0.077 176.505 176.300 0.214 0.000 1.144 200 D CA 0.946 55.001 54.000 0.091 0.000 0.869 200 D CB 0.205 41.043 40.800 0.064 0.000 1.160 200 D HN 0.480 nan 8.370 nan 0.000 0.484 201 N N 1.478 120.282 118.700 0.173 0.000 2.909 201 N HA -0.260 4.480 4.740 0.001 0.000 0.242 201 N C -0.762 174.850 175.510 0.170 0.000 0.975 201 N CA 0.727 53.868 53.050 0.150 0.000 0.921 201 N CB -1.490 37.062 38.487 0.109 0.000 1.112 201 N HN 0.392 nan 8.380 nan 0.000 0.581 202 Y N 0.407 120.705 120.300 -0.004 0.000 2.392 202 Y HA 0.634 5.184 4.550 0.001 0.000 0.323 202 Y C 1.160 177.058 175.900 -0.004 0.000 1.291 202 Y CA -0.179 57.906 58.100 -0.025 0.000 1.345 202 Y CB 0.837 39.281 38.460 -0.027 0.000 1.320 202 Y HN -0.118 nan 8.280 nan 0.000 0.518 203 R N 0.131 120.706 120.500 0.124 0.000 2.774 203 R HA 0.616 4.957 4.340 0.001 0.000 0.272 203 R C -1.680 174.768 176.300 0.248 0.000 1.000 203 R CA -0.699 55.487 56.100 0.143 0.000 0.906 203 R CB 1.703 32.069 30.300 0.110 0.000 1.227 203 R HN 0.553 nan 8.270 nan 0.000 0.468 204 L N 1.110 122.443 121.223 0.183 0.000 2.375 204 L HA 0.508 4.848 4.340 0.001 0.000 0.268 204 L C 0.184 177.040 176.870 -0.024 0.000 1.058 204 L CA -1.217 53.688 54.840 0.110 0.000 0.803 204 L CB 1.542 43.611 42.059 0.016 0.000 1.212 204 L HN 0.306 nan 8.230 nan 0.000 0.451 205 V N 1.194 120.866 119.914 -0.403 0.000 2.901 205 V HA -0.090 4.031 4.120 0.001 0.000 0.307 205 V C 0.161 176.106 176.094 -0.248 0.000 1.084 205 V CA 0.099 62.037 62.300 -0.603 0.000 1.184 205 V CB 0.894 32.271 31.823 -0.744 0.000 0.941 205 V HN 0.666 nan 8.190 nan 0.000 0.493 206 D N 3.688 123.984 120.400 -0.175 0.000 2.493 206 D HA 0.337 4.977 4.640 0.001 0.000 0.240 206 D C 1.002 177.244 176.300 -0.097 0.000 1.142 206 D CA 1.686 55.632 54.000 -0.091 0.000 0.872 206 D CB 0.852 41.615 40.800 -0.062 0.000 1.173 206 D HN 0.984 nan 8.370 nan 0.000 0.467 207 G N 1.768 110.529 108.800 -0.065 0.000 2.176 207 G HA2 -0.212 3.748 3.960 0.001 0.000 0.253 207 G HA3 -0.212 3.748 3.960 0.001 0.000 0.253 207 G C 0.546 175.402 174.900 -0.074 0.000 0.979 207 G CA 0.293 45.357 45.100 -0.061 0.000 0.641 207 G HN 0.886 nan 8.290 nan 0.000 0.530 208 A N 0.764 123.530 122.820 -0.091 0.000 2.540 208 A HA 0.586 4.907 4.320 0.001 0.000 0.239 208 A C 1.918 179.465 177.584 -0.062 0.000 1.061 208 A CA 1.384 53.361 52.037 -0.099 0.000 0.758 208 A CB 0.179 19.119 19.000 -0.100 0.000 0.991 208 A HN 1.798 nan 8.150 nan 0.000 0.502 209 S N 2.073 117.731 115.700 -0.070 0.000 2.365 209 S HA -0.273 4.197 4.470 0.001 0.000 0.225 209 S C 1.527 176.119 174.600 -0.015 0.000 1.039 209 S CA 1.846 60.026 58.200 -0.033 0.000 1.033 209 S CB -0.482 62.691 63.200 -0.045 0.000 0.887 209 S HN 1.223 nan 8.310 nan 0.000 0.447 210 K N 0.415 120.793 120.400 -0.037 0.000 7.487 210 K HA -0.274 4.046 4.320 0.001 0.000 0.481 210 K C -0.529 176.038 176.600 -0.054 0.000 0.360 210 K CA 2.010 58.280 56.287 -0.029 0.000 1.960 210 K CB -1.840 30.663 32.500 0.006 0.000 0.652 210 K HN 0.753 nan 8.250 nan 0.000 0.846 211 D N -1.313 119.067 120.400 -0.033 0.000 2.752 211 D HA 0.682 5.323 4.640 0.001 0.000 0.313 211 D C -0.038 176.237 176.300 -0.042 0.000 1.225 211 D CA 0.142 54.077 54.000 -0.108 0.000 0.976 211 D CB 1.477 42.222 40.800 -0.091 0.000 1.443 211 D HN 0.527 nan 8.370 nan 0.000 0.515 212 G N -2.173 106.546 108.800 -0.135 0.000 2.328 212 G HA2 0.451 4.412 3.960 0.001 0.000 0.295 212 G HA3 0.451 4.412 3.960 0.001 0.000 0.295 212 G C -2.341 172.463 174.900 -0.159 0.000 1.413 212 G CA -1.119 43.995 45.100 0.025 0.000 0.817 212 G HN 0.314 nan 8.290 nan 0.000 0.546 213 W N -0.814 120.490 121.300 0.008 0.000 2.864 213 W HA 0.763 5.423 4.660 0.001 0.000 0.343 213 W C -0.663 175.683 176.519 -0.289 0.000 1.109 213 W CA -0.860 56.395 57.345 -0.150 0.000 1.192 213 W CB 2.365 31.665 29.460 -0.267 0.000 1.426 213 W HN 0.510 nan 8.180 nan 0.000 0.529 214 L N 2.550 123.658 121.223 -0.191 0.000 2.409 214 L HA 0.698 5.038 4.340 0.001 0.000 0.272 214 L C -1.935 174.731 176.870 -0.340 0.000 0.980 214 L CA -0.768 53.956 54.840 -0.194 0.000 0.826 214 L CB 0.720 42.727 42.059 -0.086 0.000 1.268 214 L HN 0.264 nan 8.230 nan 0.000 0.407 215 F N 2.652 122.673 119.950 0.118 0.000 2.482 215 F HA 0.751 5.279 4.527 0.001 0.000 0.331 215 F C 0.332 176.070 175.800 -0.103 0.000 1.115 215 F CA -0.437 57.598 58.000 0.059 0.000 0.955 215 F CB 2.394 41.462 39.000 0.115 0.000 1.136 215 F HN 0.399 nan 8.300 nan 0.000 0.452 216 T N 2.274 116.776 114.554 -0.086 0.000 2.876 216 T HA 0.824 5.175 4.350 0.001 0.000 0.289 216 T C -1.020 173.572 174.700 -0.179 0.000 1.014 216 T CA -0.807 61.087 62.100 -0.343 0.000 0.986 216 T CB 1.797 69.989 68.868 -1.126 0.000 1.021 216 T HN 0.711 nan 8.240 nan 0.000 0.458 217 A N 2.407 125.157 122.820 -0.117 0.000 2.375 217 A HA 0.743 5.063 4.320 0.001 0.000 0.295 217 A C -0.808 176.791 177.584 0.025 0.000 1.066 217 A CA -0.690 51.346 52.037 -0.001 0.000 0.722 217 A CB 1.252 20.281 19.000 0.049 0.000 1.206 217 A HN 0.801 nan 8.150 nan 0.000 0.435 218 E N 1.988 122.259 120.200 0.118 0.000 2.246 218 E HA 0.332 4.683 4.350 0.001 0.000 0.266 218 E C -1.507 175.242 176.600 0.249 0.000 0.880 218 E CA -0.535 55.978 56.400 0.188 0.000 0.762 218 E CB 1.131 30.994 29.700 0.272 0.000 1.180 218 E HN 0.810 nan 8.360 nan 0.000 0.416 219 H N 3.533 122.731 119.070 0.212 0.000 2.476 219 H HA 0.379 4.936 4.556 0.001 0.000 0.328 219 H C -1.300 174.144 175.328 0.193 0.000 1.073 219 H CA -0.201 55.972 56.048 0.209 0.000 1.229 219 H CB 1.481 31.393 29.762 0.249 0.000 1.432 219 H HN 0.423 nan 8.280 nan 0.000 0.477 220 T N 5.065 119.394 114.554 -0.374 0.000 2.779 220 T HA 0.138 4.488 4.350 0.001 0.000 0.280 220 T C -0.342 174.191 174.700 -0.279 0.000 0.987 220 T CA -0.680 61.315 62.100 -0.175 0.000 0.966 220 T CB 1.552 70.351 68.868 -0.114 0.000 0.933 220 T HN 0.517 nan 8.240 nan 0.000 0.442 221 Q N 2.090 121.904 119.800 0.024 0.000 2.325 221 Q HA 0.491 4.831 4.340 0.001 0.000 0.270 221 Q C -0.418 175.677 176.000 0.158 0.000 1.020 221 Q CA -0.410 55.468 55.803 0.124 0.000 0.785 221 Q CB 1.647 30.562 28.738 0.296 0.000 1.259 221 Q HN 0.619 nan 8.270 nan 0.000 0.452 222 S N 3.726 119.494 115.700 0.114 0.000 2.455 222 S HA 0.600 5.070 4.470 0.001 0.000 0.278 222 S C -0.674 173.999 174.600 0.123 0.000 1.216 222 S CA -0.299 57.977 58.200 0.126 0.000 1.055 222 S CB -0.394 62.855 63.200 0.082 0.000 0.939 222 S HN 0.461 nan 8.310 nan 0.000 0.494 223 V N 4.931 124.926 119.914 0.136 0.000 2.888 223 V HA 0.450 4.570 4.120 0.001 0.000 0.309 223 V C 0.216 176.373 176.094 0.104 0.000 1.114 223 V CA -1.347 61.019 62.300 0.110 0.000 0.940 223 V CB 1.412 33.301 31.823 0.111 0.000 1.021 223 V HN 0.906 nan 8.190 nan 0.000 0.426 224 L N 2.690 123.962 121.223 0.082 0.000 3.954 224 L HA -0.271 4.070 4.340 0.001 0.000 0.462 224 L C 1.312 178.239 176.870 0.094 0.000 1.195 224 L CA 0.934 55.821 54.840 0.077 0.000 0.739 224 L CB -1.409 40.691 42.059 0.068 0.000 1.599 224 L HN 1.055 nan 8.230 nan 0.000 0.838 225 K N -2.779 117.680 120.400 0.098 0.000 3.472 225 K HA -0.221 4.100 4.320 0.001 0.000 0.315 225 K C 0.876 177.567 176.600 0.151 0.000 1.320 225 K CA 1.068 57.422 56.287 0.111 0.000 0.962 225 K CB -1.201 31.359 32.500 0.101 0.000 1.251 225 K HN 0.807 nan 8.250 nan 0.000 0.443 226 G N 0.094 108.994 108.800 0.167 0.000 3.265 226 G HA2 0.721 4.681 3.960 0.001 0.000 0.171 226 G HA3 0.721 4.681 3.960 0.001 0.000 0.171 226 G C -0.884 174.197 174.900 0.302 0.000 1.110 226 G CA -0.132 45.108 45.100 0.232 0.000 0.855 226 G HN 0.246 nan 8.290 nan 0.000 0.658 227 F N -1.251 118.778 119.950 0.132 0.000 2.741 227 F HA 0.706 5.234 4.527 0.001 0.000 0.313 227 F C -1.461 174.406 175.800 0.111 0.000 1.153 227 F CA -1.425 56.628 58.000 0.089 0.000 0.931 227 F CB 1.863 40.879 39.000 0.026 0.000 1.335 227 F HN 0.500 nan 8.300 nan 0.000 0.460 228 N N 1.505 120.380 118.700 0.292 0.000 2.295 228 N HA 0.396 5.136 4.740 0.001 0.000 0.293 228 N C -2.056 173.630 175.510 0.295 0.000 1.040 228 N CA -0.554 52.635 53.050 0.232 0.000 0.840 228 N CB 2.500 41.147 38.487 0.267 0.000 1.468 228 N HN 0.790 nan 8.380 nan 0.000 0.478 229 K N 2.385 122.867 120.400 0.137 0.000 2.292 229 K HA 0.370 4.690 4.320 0.001 0.000 0.257 229 K C -1.454 175.265 176.600 0.198 0.000 0.940 229 K CA -0.599 55.758 56.287 0.116 0.000 0.811 229 K CB 1.854 34.307 32.500 -0.078 0.000 1.120 229 K HN 0.375 nan 8.250 nan 0.000 0.428 230 F N 3.870 123.916 119.950 0.159 0.000 2.477 230 F HA 0.505 5.032 4.527 0.001 0.000 0.335 230 F C -1.309 174.568 175.800 0.128 0.000 1.130 230 F CA -0.737 57.346 58.000 0.139 0.000 0.948 230 F CB 0.992 40.074 39.000 0.136 0.000 1.154 230 F HN 0.149 nan 8.300 nan 0.000 0.439 231 V N 6.501 126.005 119.914 -0.683 0.000 2.656 231 V HA 0.651 4.771 4.120 0.001 0.000 0.307 231 V C -1.009 174.708 176.094 -0.629 0.000 1.051 231 V CA -0.876 61.142 62.300 -0.470 0.000 0.893 231 V CB 1.877 33.512 31.823 -0.314 0.000 0.999 231 V HN 0.593 nan 8.190 nan 0.000 0.426 232 V N 4.517 124.203 119.914 -0.379 0.000 2.577 232 V HA 0.562 4.683 4.120 0.001 0.000 0.303 232 V C -0.606 175.426 176.094 -0.102 0.000 1.042 232 V CA -0.490 61.673 62.300 -0.227 0.000 0.872 232 V CB 1.804 33.554 31.823 -0.121 0.000 0.998 232 V HN 0.962 nan 8.190 nan 0.000 0.423 233 Q N 2.838 122.610 119.800 -0.046 0.000 2.397 233 Q HA 0.614 4.955 4.340 0.001 0.000 0.275 233 Q C -1.961 174.129 176.000 0.150 0.000 1.090 233 Q CA -0.800 55.010 55.803 0.011 0.000 0.809 233 Q CB 3.440 32.144 28.738 -0.057 0.000 1.362 233 Q HN 0.750 nan 8.270 nan 0.000 0.431 234 Y N 0.718 121.069 120.300 0.085 0.000 2.354 234 Y HA 0.717 5.267 4.550 0.001 0.000 0.330 234 Y C -1.610 174.413 175.900 0.205 0.000 1.011 234 Y CA -0.528 57.663 58.100 0.152 0.000 1.099 234 Y CB 1.370 39.934 38.460 0.173 0.000 1.179 234 Y HN 0.727 nan 8.280 nan 0.000 0.442 235 A N 3.587 126.217 122.820 -0.317 0.000 2.384 235 A HA 0.873 5.194 4.320 0.001 0.000 0.312 235 A C -1.028 176.392 177.584 -0.273 0.000 1.113 235 A CA -0.733 51.198 52.037 -0.177 0.000 0.779 235 A CB 1.815 20.771 19.000 -0.073 0.000 1.307 235 A HN 0.624 nan 8.150 nan 0.000 0.436 236 T N 0.969 115.507 114.554 -0.027 0.000 2.886 236 T HA 0.520 4.871 4.350 0.001 0.000 0.292 236 T C -0.208 174.566 174.700 0.123 0.000 1.012 236 T CA 0.214 62.367 62.100 0.089 0.000 0.982 236 T CB 0.962 69.984 68.868 0.257 0.000 1.018 236 T HN 0.815 nan 8.240 nan 0.000 0.451 237 D N 1.588 122.074 120.400 0.142 0.000 4.056 237 D HA -0.281 4.360 4.640 0.001 0.000 0.169 237 D C 1.838 178.182 176.300 0.073 0.000 0.744 237 D CA 2.308 56.378 54.000 0.116 0.000 1.006 237 D CB -1.426 39.440 40.800 0.111 0.000 0.448 237 D HN 0.673 nan 8.370 nan 0.000 0.412 238 S N -0.362 115.349 115.700 0.019 0.000 2.469 238 S HA -0.123 4.348 4.470 0.001 0.000 0.238 238 S C 1.675 176.262 174.600 -0.022 0.000 0.998 238 S CA 1.444 59.627 58.200 -0.029 0.000 0.957 238 S CB -0.120 63.033 63.200 -0.078 0.000 0.764 238 S HN 0.378 nan 8.310 nan 0.000 0.514 239 M N 2.133 121.732 119.600 -0.003 0.000 2.495 239 M HA 0.111 4.591 4.480 0.001 0.000 0.237 239 M C 1.951 178.277 176.300 0.043 0.000 1.131 239 M CA 1.113 56.410 55.300 -0.005 0.000 1.032 239 M CB -1.073 31.511 32.600 -0.026 0.000 1.513 239 M HN 0.698 nan 8.290 nan 0.000 0.488 240 T N -2.280 112.339 114.554 0.108 0.000 3.035 240 T HA 0.006 4.356 4.350 0.001 0.000 0.259 240 T C 1.927 176.773 174.700 0.243 0.000 1.078 240 T CA 1.189 63.387 62.100 0.164 0.000 1.132 240 T CB -0.267 68.777 68.868 0.293 0.000 0.900 240 T HN 0.364 nan 8.240 nan 0.000 0.480 241 S N 1.221 117.082 115.700 0.269 0.000 2.362 241 S HA -0.050 4.420 4.470 0.001 0.000 0.221 241 S C 2.210 176.909 174.600 0.165 0.000 1.032 241 S CA 0.429 58.816 58.200 0.312 0.000 0.973 241 S CB -0.576 62.724 63.200 0.166 0.000 0.849 241 S HN 0.404 nan 8.310 nan 0.000 0.465 242 Q N 1.628 121.480 119.800 0.086 0.000 2.049 242 Q HA 0.050 4.390 4.340 0.001 0.000 0.198 242 Q C 1.607 177.643 176.000 0.060 0.000 0.971 242 Q CA 1.392 57.225 55.803 0.049 0.000 0.833 242 Q CB -0.606 28.135 28.738 0.005 0.000 0.896 242 Q HN 0.780 nan 8.270 nan 0.000 0.434 243 G N 0.931 109.766 108.800 0.058 0.000 2.148 243 G HA2 -0.273 3.688 3.960 0.001 0.000 0.254 243 G HA3 -0.273 3.688 3.960 0.001 0.000 0.254 243 G C 0.539 175.469 174.900 0.050 0.000 0.981 243 G CA 0.787 45.925 45.100 0.063 0.000 0.670 243 G HN 0.448 nan 8.290 nan 0.000 0.528 244 K N -0.936 119.484 120.400 0.033 0.000 2.477 244 K HA 0.504 4.824 4.320 0.001 0.000 0.208 244 K C 1.501 178.176 176.600 0.124 0.000 1.117 244 K CA 0.295 56.612 56.287 0.049 0.000 1.039 244 K CB 1.442 33.929 32.500 -0.020 0.000 0.937 244 K HN 1.162 nan 8.250 nan 0.000 0.570 245 G N 1.270 110.117 108.800 0.079 0.000 2.273 245 G HA2 -0.130 3.830 3.960 0.001 0.000 0.162 245 G HA3 -0.130 3.830 3.960 0.001 0.000 0.162 245 G C -0.218 174.685 174.900 0.006 0.000 1.006 245 G CA -0.663 44.498 45.100 0.101 0.000 0.704 245 G HN 0.034 nan 8.290 nan 0.000 0.487 246 L N 1.793 123.000 121.223 -0.026 0.000 2.322 246 L HA 0.730 5.070 4.340 0.001 0.000 0.279 246 L C 0.751 177.572 176.870 -0.082 0.000 1.036 246 L CA -0.660 54.138 54.840 -0.070 0.000 0.807 246 L CB 1.812 43.830 42.059 -0.069 0.000 1.226 246 L HN 0.206 nan 8.230 nan 0.000 0.433 247 S N 2.042 117.667 115.700 -0.125 0.000 2.578 247 S HA 0.364 4.835 4.470 0.001 0.000 0.283 247 S C -0.449 174.089 174.600 -0.103 0.000 1.195 247 S CA -0.496 57.626 58.200 -0.130 0.000 1.050 247 S CB 1.152 64.230 63.200 -0.204 0.000 1.012 247 S HN 0.667 nan 8.310 nan 0.000 0.511 248 Q N 2.832 122.581 119.800 -0.086 0.000 3.122 248 Q HA 0.307 4.648 4.340 0.001 0.000 0.282 248 Q C 0.983 176.929 176.000 -0.090 0.000 0.947 248 Q CA -0.428 55.328 55.803 -0.080 0.000 0.812 248 Q CB 0.847 29.546 28.738 -0.066 0.000 1.333 248 Q HN 0.966 nan 8.270 nan 0.000 0.430 249 G N 0.233 108.978 108.800 -0.092 0.000 2.484 249 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 249 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 249 G C 1.478 176.328 174.900 -0.084 0.000 1.130 249 G CA 1.075 46.123 45.100 -0.086 0.000 0.784 249 G HN 0.547 nan 8.290 nan 0.000 0.543 250 S N 0.001 115.653 115.700 -0.080 0.000 2.387 250 S HA 0.242 4.713 4.470 0.001 0.000 0.226 250 S C 2.092 176.609 174.600 -0.138 0.000 1.026 250 S CA 1.308 59.460 58.200 -0.079 0.000 0.972 250 S CB -0.507 62.672 63.200 -0.036 0.000 0.814 250 S HN 1.533 nan 8.310 nan 0.000 0.477 251 G N 0.251 108.952 108.800 -0.166 0.000 2.179 251 G HA2 -0.205 3.756 3.960 0.001 0.000 0.257 251 G HA3 -0.205 3.756 3.960 0.001 0.000 0.257 251 G C -0.030 174.703 174.900 -0.278 0.000 1.010 251 G CA 0.287 45.249 45.100 -0.230 0.000 0.736 251 G HN 0.885 nan 8.290 nan 0.000 0.513 252 V N -0.058 119.695 119.914 -0.269 0.000 2.555 252 V HA 0.896 5.017 4.120 0.001 0.000 0.302 252 V C 0.488 176.305 176.094 -0.462 0.000 1.038 252 V CA -0.124 61.949 62.300 -0.379 0.000 0.887 252 V CB 1.628 33.269 31.823 -0.304 0.000 0.991 252 V HN 1.189 nan 8.190 nan 0.000 0.434 253 A N 3.897 126.272 122.820 -0.742 0.000 2.435 253 A HA 0.990 5.310 4.320 0.001 0.000 0.296 253 A C -1.503 175.580 177.584 -0.835 0.000 1.147 253 A CA -0.495 51.132 52.037 -0.684 0.000 0.775 253 A CB 1.528 20.096 19.000 -0.721 0.000 1.340 253 A HN 0.586 nan 8.150 nan 0.000 0.427 254 F N 0.634 120.592 119.950 0.014 0.000 2.540 254 F HA 0.414 4.942 4.527 0.001 0.000 0.317 254 F C 0.309 176.314 175.800 0.341 0.000 1.104 254 F CA -0.539 57.572 58.000 0.184 0.000 0.913 254 F CB 2.034 41.076 39.000 0.069 0.000 1.170 254 F HN 0.765 nan 8.300 nan 0.000 0.450 255 D N 0.222 120.895 120.400 0.456 0.000 2.425 255 D HA 0.096 4.736 4.640 0.001 0.000 0.274 255 D C 0.339 176.771 176.300 0.219 0.000 1.242 255 D CA -0.258 53.910 54.000 0.279 0.000 1.060 255 D CB 0.231 40.923 40.800 -0.180 0.000 1.112 255 D HN 0.542 nan 8.370 nan 0.000 0.561 256 N N -1.089 117.710 118.700 0.165 0.000 2.331 256 N HA -0.080 4.661 4.740 0.001 0.000 0.180 256 N C 0.684 176.233 175.510 0.065 0.000 1.019 256 N CA 0.564 53.678 53.050 0.106 0.000 0.881 256 N CB 0.059 38.604 38.487 0.098 0.000 0.972 256 N HN 0.467 nan 8.380 nan 0.000 0.435 257 E N 0.556 120.805 120.200 0.082 0.000 2.437 257 E HA 0.079 4.429 4.350 0.001 0.000 0.189 257 E C -0.153 176.340 176.600 -0.179 0.000 1.054 257 E CA 0.035 56.436 56.400 0.001 0.000 0.874 257 E CB 0.386 30.175 29.700 0.149 0.000 1.011 257 E HN 0.069 nan 8.360 nan 0.000 0.474 258 K N -0.293 120.075 120.400 -0.053 0.000 3.339 258 K HA -0.163 4.158 4.320 0.001 0.000 0.299 258 K C -0.846 175.740 176.600 -0.023 0.000 1.270 258 K CA 0.577 56.829 56.287 -0.060 0.000 0.875 258 K CB -1.996 30.370 32.500 -0.224 0.000 1.298 258 K HN 0.135 nan 8.250 nan 0.000 0.485 259 F N 1.224 121.210 119.950 0.060 0.000 2.438 259 F HA 0.360 4.888 4.527 0.001 0.000 0.356 259 F C 1.326 177.212 175.800 0.144 0.000 1.099 259 F CA -0.188 57.767 58.000 -0.074 0.000 1.185 259 F CB 0.794 39.646 39.000 -0.247 0.000 1.115 259 F HN 0.071 nan 8.300 nan 0.000 0.526 260 A N 4.590 127.603 122.820 0.322 0.000 2.388 260 A HA 0.558 4.878 4.320 0.001 0.000 0.257 260 A C -1.177 176.539 177.584 0.220 0.000 1.095 260 A CA -0.229 51.772 52.037 -0.060 0.000 0.791 260 A CB -0.058 18.910 19.000 -0.054 0.000 1.029 260 A HN 0.755 nan 8.150 nan 0.000 0.489 261 Y N 0.328 120.546 120.300 -0.137 0.000 2.588 261 Y HA 0.584 5.135 4.550 0.001 0.000 0.343 261 Y C -0.658 175.176 175.900 -0.111 0.000 1.065 261 Y CA -1.859 56.217 58.100 -0.041 0.000 1.038 261 Y CB 1.131 39.624 38.460 0.054 0.000 1.297 261 Y HN 0.531 nan 8.280 nan 0.000 0.467 262 N N 2.744 121.419 118.700 -0.041 0.000 2.422 262 N HA 0.287 5.028 4.740 0.001 0.000 0.264 262 N C -0.511 174.896 175.510 -0.172 0.000 1.063 262 N CA -0.292 52.659 53.050 -0.165 0.000 0.959 262 N CB 0.720 39.139 38.487 -0.112 0.000 1.087 262 N HN 0.875 nan 8.380 nan 0.000 0.483 263 I N 0.364 120.755 120.570 -0.299 0.000 3.158 263 I HA 0.287 4.457 4.170 0.001 0.000 0.344 263 I C 0.324 176.180 176.117 -0.435 0.000 1.459 263 I CA -0.909 60.192 61.300 -0.331 0.000 0.956 263 I CB -0.117 37.673 38.000 -0.350 0.000 1.793 263 I HN 0.210 nan 8.210 nan 0.000 0.522 264 N N 3.939 122.426 118.700 -0.354 0.000 2.219 264 N HA -0.127 4.613 4.740 0.001 0.000 0.263 264 N C 0.260 175.425 175.510 -0.574 0.000 1.269 264 N CA 0.898 53.737 53.050 -0.352 0.000 0.831 264 N CB 0.421 38.766 38.487 -0.237 0.000 1.059 264 N HN 0.820 nan 8.380 nan 0.000 0.475 265 N N 1.520 119.918 118.700 -0.503 0.000 2.275 265 N HA 0.045 4.785 4.740 0.001 0.000 0.236 265 N C -0.719 174.661 175.510 -0.215 0.000 1.154 265 N CA -0.691 51.955 53.050 -0.673 0.000 0.866 265 N CB 0.164 38.412 38.487 -0.398 0.000 1.093 265 N HN 0.278 nan 8.380 nan 0.000 0.515 266 N N 1.574 120.192 118.700 -0.137 0.000 2.412 266 N HA 0.206 4.946 4.740 0.001 0.000 0.258 266 N C 0.747 176.357 175.510 0.166 0.000 1.236 266 N CA 1.240 54.307 53.050 0.030 0.000 0.882 266 N CB 1.384 39.879 38.487 0.013 0.000 1.066 266 N HN 0.630 nan 8.380 nan 0.000 0.465 267 G N 0.661 109.587 108.800 0.210 0.000 2.302 267 G HA2 0.042 4.002 3.960 0.001 0.000 0.264 267 G HA3 0.042 4.002 3.960 0.001 0.000 0.264 267 G C -1.668 173.351 174.900 0.198 0.000 1.335 267 G CA -0.717 44.521 45.100 0.230 0.000 0.982 267 G HN 0.852 nan 8.290 nan 0.000 0.473 268 H N -1.404 117.702 119.070 0.059 0.000 3.008 268 H HA 0.771 5.327 4.556 0.001 0.000 0.354 268 H C -1.168 174.054 175.328 -0.177 0.000 1.252 268 H CA -0.814 55.170 56.048 -0.106 0.000 1.117 268 H CB 1.775 31.457 29.762 -0.132 0.000 1.857 268 H HN 0.944 nan 8.280 nan 0.000 0.547 269 M N 2.630 122.148 119.600 -0.135 0.000 2.393 269 M HA 0.413 4.894 4.480 0.001 0.000 0.299 269 M C -2.154 174.134 176.300 -0.020 0.000 1.103 269 M CA -1.179 54.045 55.300 -0.127 0.000 0.910 269 M CB 2.391 34.912 32.600 -0.132 0.000 1.659 269 M HN 0.519 nan 8.290 nan 0.000 0.445 270 L N 5.175 126.438 121.223 0.067 0.000 2.325 270 L HA 0.641 4.982 4.340 0.001 0.000 0.281 270 L C -1.318 175.548 176.870 -0.006 0.000 1.004 270 L CA -0.083 54.843 54.840 0.144 0.000 0.823 270 L CB 1.563 43.772 42.059 0.251 0.000 1.236 270 L HN 0.865 nan 8.230 nan 0.000 0.415 271 R N 5.875 126.375 120.500 -0.000 0.000 2.476 271 R HA 0.680 5.021 4.340 0.001 0.000 0.305 271 R C -1.724 174.525 176.300 -0.085 0.000 0.965 271 R CA -0.560 55.492 56.100 -0.080 0.000 0.867 271 R CB 1.094 31.360 30.300 -0.056 0.000 1.176 271 R HN 0.775 nan 8.270 nan 0.000 0.447 272 I N 5.924 126.437 120.570 -0.094 0.000 2.418 272 I HA 0.396 4.566 4.170 0.001 0.000 0.287 272 I C -0.769 175.260 176.117 -0.147 0.000 1.008 272 I CA -0.683 60.547 61.300 -0.117 0.000 1.104 272 I CB 1.907 39.911 38.000 0.007 0.000 1.264 272 I HN 0.416 nan 8.210 nan 0.000 0.438 273 L N 6.102 127.176 121.223 -0.248 0.000 2.431 273 L HA 0.604 4.944 4.340 0.001 0.000 0.266 273 L C -1.897 174.921 176.870 -0.086 0.000 0.978 273 L CA -0.304 54.431 54.840 -0.176 0.000 0.822 273 L CB 2.382 44.263 42.059 -0.298 0.000 1.310 273 L HN 0.612 nan 8.230 nan 0.000 0.409 274 D N 2.724 123.194 120.400 0.118 0.000 2.863 274 D HA 0.438 5.079 4.640 0.001 0.000 0.245 274 D C -1.635 174.860 176.300 0.324 0.000 1.211 274 D CA -0.095 54.067 54.000 0.270 0.000 0.888 274 D CB 1.749 42.789 40.800 0.400 0.000 1.483 274 D HN 0.793 nan 8.370 nan 0.000 0.533 275 H N 0.446 119.599 119.070 0.138 0.000 3.037 275 H HA 0.790 5.347 4.556 0.001 0.000 0.355 275 H C -0.564 174.607 175.328 -0.262 0.000 1.263 275 H CA -0.818 55.186 56.048 -0.074 0.000 1.129 275 H CB 1.910 31.668 29.762 -0.006 0.000 1.861 275 H HN 0.536 nan 8.280 nan 0.000 0.546 276 G N -0.519 107.716 108.800 -0.942 0.000 2.427 276 G HA2 0.645 4.606 3.960 0.001 0.000 0.306 276 G HA3 0.645 4.606 3.960 0.001 0.000 0.306 276 G C -1.854 172.464 174.900 -0.971 0.000 1.280 276 G CA -0.529 43.960 45.100 -1.018 0.000 0.837 276 G HN 1.256 nan 8.290 nan 0.000 0.482 277 A N -0.117 122.212 122.820 -0.817 0.000 2.456 277 A HA 0.739 5.059 4.320 0.001 0.000 0.288 277 A C -0.635 176.900 177.584 -0.081 0.000 1.042 277 A CA -0.218 51.648 52.037 -0.285 0.000 0.738 277 A CB 0.515 19.499 19.000 -0.027 0.000 1.266 277 A HN 1.904 nan 8.150 nan 0.000 0.407 278 I N -1.289 119.327 120.570 0.078 0.000 2.934 278 I HA 0.869 5.040 4.170 0.001 0.000 0.306 278 I C -0.408 175.781 176.117 0.120 0.000 1.110 278 I CA -0.795 60.572 61.300 0.113 0.000 1.019 278 I CB 2.445 40.526 38.000 0.136 0.000 1.227 278 I HN 0.305 nan 8.210 nan 0.000 0.434 279 S N 3.659 119.428 115.700 0.116 0.000 2.501 279 S HA 0.693 5.163 4.470 0.001 0.000 0.301 279 S C -0.511 174.154 174.600 0.109 0.000 1.096 279 S CA -0.614 57.657 58.200 0.120 0.000 1.063 279 S CB 1.529 64.796 63.200 0.112 0.000 1.042 279 S HN 0.570 nan 8.310 nan 0.000 0.494 280 M N 3.141 122.826 119.600 0.140 0.000 2.182 280 M HA 0.511 4.991 4.480 0.001 0.000 0.285 280 M C 0.585 176.983 176.300 0.164 0.000 0.956 280 M CA 0.099 55.468 55.300 0.114 0.000 0.878 280 M CB 0.822 33.456 32.600 0.055 0.000 1.373 280 M HN 0.954 nan 8.290 nan 0.000 0.393 281 G N 0.906 109.775 108.800 0.114 0.000 2.481 281 G HA2 -0.185 3.775 3.960 0.001 0.000 0.230 281 G HA3 -0.185 3.775 3.960 0.001 0.000 0.230 281 G C -0.098 174.850 174.900 0.081 0.000 1.210 281 G CA -0.101 45.064 45.100 0.108 0.000 0.936 281 G HN 0.507 nan 8.290 nan 0.000 0.583 282 D N 0.628 121.060 120.400 0.053 0.000 2.441 282 D HA 0.139 4.780 4.640 0.001 0.000 0.210 282 D C 1.534 177.781 176.300 -0.088 0.000 1.102 282 D CA 0.022 54.020 54.000 -0.003 0.000 0.840 282 D CB 0.222 41.014 40.800 -0.013 0.000 0.990 282 D HN 0.256 nan 8.370 nan 0.000 0.505 283 N N -0.571 118.062 118.700 -0.111 0.000 2.250 283 N HA 0.030 4.770 4.740 0.001 0.000 0.190 283 N C -0.379 174.801 175.510 -0.550 0.000 1.116 283 N CA 0.161 52.946 53.050 -0.441 0.000 0.881 283 N CB 0.947 39.128 38.487 -0.510 0.000 1.006 283 N HN 0.119 nan 8.380 nan 0.000 0.491 284 W N 1.319 122.565 121.300 -0.090 0.000 2.683 284 W HA 0.404 5.065 4.660 0.001 0.000 0.329 284 W C -0.718 175.790 176.519 -0.020 0.000 1.037 284 W CA -0.613 56.715 57.345 -0.029 0.000 1.232 284 W CB 1.321 30.798 29.460 0.027 0.000 1.390 284 W HN -0.270 nan 8.180 nan 0.000 0.465 285 D N 2.483 123.008 120.400 0.209 0.000 2.350 285 D HA 0.678 5.319 4.640 0.001 0.000 0.238 285 D C -0.987 175.416 176.300 0.170 0.000 0.989 285 D CA -0.714 53.374 54.000 0.146 0.000 0.921 285 D CB 2.104 42.937 40.800 0.055 0.000 1.297 285 D HN 0.361 nan 8.370 nan 0.000 0.490 286 M N 1.222 120.898 119.600 0.126 0.000 2.365 286 M HA 0.406 4.886 4.480 0.001 0.000 0.287 286 M C -1.869 174.493 176.300 0.104 0.000 1.154 286 M CA -0.398 54.983 55.300 0.136 0.000 0.941 286 M CB 1.938 34.638 32.600 0.166 0.000 1.704 286 M HN 0.270 nan 8.290 nan 0.000 0.479 287 M N 3.964 123.603 119.600 0.067 0.000 2.537 287 M HA 0.627 5.108 4.480 0.001 0.000 0.324 287 M C -1.552 174.837 176.300 0.148 0.000 1.187 287 M CA -0.629 54.667 55.300 -0.007 0.000 0.993 287 M CB 1.854 34.413 32.600 -0.068 0.000 1.666 287 M HN 0.654 nan 8.290 nan 0.000 0.461 288 Y N -0.566 119.791 120.300 0.095 0.000 2.581 288 Y HA 0.828 5.379 4.550 0.001 0.000 0.337 288 Y C -1.655 174.354 175.900 0.182 0.000 1.108 288 Y CA -1.510 56.665 58.100 0.126 0.000 1.033 288 Y CB 0.662 39.171 38.460 0.083 0.000 1.318 288 Y HN 0.439 nan 8.280 nan 0.000 0.459 289 V N -0.305 119.813 119.914 0.340 0.000 3.007 289 V HA 1.046 5.166 4.120 0.001 0.000 0.311 289 V C -0.310 175.962 176.094 0.297 0.000 1.120 289 V CA -0.576 61.892 62.300 0.280 0.000 0.980 289 V CB 1.640 33.572 31.823 0.181 0.000 1.033 289 V HN 1.458 nan 8.190 nan 0.000 0.429 290 G N 1.907 110.848 108.800 0.235 0.000 2.739 290 G HA2 0.689 4.650 3.960 0.001 0.000 0.292 290 G HA3 0.689 4.650 3.960 0.001 0.000 0.292 290 G C -1.460 173.493 174.900 0.088 0.000 1.444 290 G CA -0.532 44.683 45.100 0.191 0.000 1.144 290 G HN 0.923 nan 8.290 nan 0.000 0.550 291 M N 2.348 121.942 119.600 -0.009 0.000 2.484 291 M HA 0.725 5.206 4.480 0.001 0.000 0.289 291 M C -2.349 173.820 176.300 -0.218 0.000 1.206 291 M CA -1.102 54.092 55.300 -0.177 0.000 0.892 291 M CB 2.817 35.161 32.600 -0.426 0.000 1.712 291 M HN 0.579 nan 8.290 nan 0.000 0.462 292 Y N 2.968 123.015 120.300 -0.422 0.000 2.338 292 Y HA 0.557 5.108 4.550 0.001 0.000 0.333 292 Y C -1.621 173.988 175.900 -0.484 0.000 0.968 292 Y CA -0.317 57.385 58.100 -0.662 0.000 1.123 292 Y CB 1.502 39.433 38.460 -0.883 0.000 1.165 292 Y HN 0.739 nan 8.280 nan 0.000 0.452 293 Q N 5.171 124.360 119.800 -1.019 0.000 2.292 293 Q HA 0.309 4.650 4.340 0.001 0.000 0.270 293 Q C -2.124 173.436 176.000 -0.732 0.000 1.024 293 Q CA -0.796 54.607 55.803 -0.667 0.000 0.768 293 Q CB 1.526 30.085 28.738 -0.299 0.000 1.250 293 Q HN 0.767 nan 8.270 nan 0.000 0.447 294 D N 4.724 124.756 120.400 -0.614 0.000 2.440 294 D HA 0.366 5.007 4.640 0.001 0.000 0.239 294 D C -1.136 174.970 176.300 -0.324 0.000 1.084 294 D CA -0.334 53.401 54.000 -0.442 0.000 0.843 294 D CB 0.828 41.456 40.800 -0.287 0.000 1.097 294 D HN 0.564 nan 8.370 nan 0.000 0.531 295 I N 3.807 124.145 120.570 -0.387 0.000 2.330 295 I HA 0.275 4.446 4.170 0.001 0.000 0.286 295 I C -0.028 175.684 176.117 -0.674 0.000 1.025 295 I CA -0.609 60.343 61.300 -0.580 0.000 1.197 295 I CB 1.045 38.596 38.000 -0.747 0.000 1.358 295 I HN 0.302 nan 8.210 nan 0.000 0.467 296 N N 6.310 124.608 118.700 -0.671 0.000 2.501 296 N HA 0.290 5.031 4.740 0.001 0.000 0.245 296 N C -1.254 174.069 175.510 -0.312 0.000 0.974 296 N CA -0.602 52.145 53.050 -0.506 0.000 0.941 296 N CB 0.923 39.027 38.487 -0.639 0.000 1.122 296 N HN 0.351 nan 8.380 nan 0.000 0.507 297 W N 1.750 122.962 121.300 -0.147 0.000 2.578 297 W HA 0.285 4.946 4.660 0.001 0.000 0.346 297 W C 0.839 177.322 176.519 -0.060 0.000 1.075 297 W CA -0.821 56.468 57.345 -0.094 0.000 1.233 297 W CB 1.125 30.543 29.460 -0.070 0.000 1.358 297 W HN 0.519 nan 8.180 nan 0.000 0.574 298 D N 0.663 121.184 120.400 0.201 0.000 2.178 298 D HA -0.201 4.439 4.640 0.001 0.000 0.201 298 D C 1.549 177.892 176.300 0.072 0.000 0.980 298 D CA 1.532 55.593 54.000 0.102 0.000 0.842 298 D CB -0.234 40.605 40.800 0.064 0.000 0.948 298 D HN 0.366 nan 8.370 nan 0.000 0.472 299 N N 0.159 118.902 118.700 0.072 0.000 2.461 299 N HA -0.105 4.636 4.740 0.001 0.000 0.188 299 N C -0.205 175.342 175.510 0.061 0.000 1.134 299 N CA 0.552 53.624 53.050 0.036 0.000 0.878 299 N CB 0.130 38.606 38.487 -0.019 0.000 0.972 299 N HN -0.125 nan 8.380 nan 0.000 0.456 300 D N -2.113 118.348 120.400 0.102 0.000 3.077 300 D HA -0.191 4.449 4.640 0.001 0.000 0.212 300 D C -0.298 176.034 176.300 0.054 0.000 1.125 300 D CA 0.965 54.998 54.000 0.054 0.000 0.970 300 D CB -1.713 39.088 40.800 0.003 0.000 1.110 300 D HN 0.485 nan 8.370 nan 0.000 0.419 301 N N -0.339 118.470 118.700 0.182 0.000 2.273 301 N HA 0.304 5.044 4.740 0.001 0.000 0.231 301 N C 0.837 176.520 175.510 0.288 0.000 1.134 301 N CA 0.581 53.745 53.050 0.191 0.000 0.856 301 N CB 0.264 38.876 38.487 0.208 0.000 1.068 301 N HN 0.289 nan 8.380 nan 0.000 0.510 302 G N -0.814 108.055 108.800 0.115 0.000 2.486 302 G HA2 0.387 4.347 3.960 0.001 0.000 0.272 302 G HA3 0.387 4.347 3.960 0.001 0.000 0.272 302 G C -0.294 174.449 174.900 -0.262 0.000 1.426 302 G CA 0.204 45.109 45.100 -0.324 0.000 1.058 302 G HN 0.321 nan 8.290 nan 0.000 0.531 303 T N -3.197 111.166 114.554 -0.317 0.000 2.821 303 T HA 0.626 4.977 4.350 0.001 0.000 0.306 303 T C -1.073 173.537 174.700 -0.150 0.000 1.313 303 T CA -0.941 61.060 62.100 -0.165 0.000 1.012 303 T CB 2.304 71.153 68.868 -0.031 0.000 1.298 303 T HN 0.578 nan 8.240 nan 0.000 0.502 304 K N 0.757 121.131 120.400 -0.044 0.000 2.579 304 K HA 0.482 4.803 4.320 0.001 0.000 0.250 304 K C -2.082 174.579 176.600 0.102 0.000 0.952 304 K CA -0.654 55.597 56.287 -0.060 0.000 0.857 304 K CB 1.349 33.864 32.500 0.025 0.000 1.123 304 K HN 0.692 nan 8.250 nan 0.000 0.433 305 W N 6.471 127.605 121.300 -0.276 0.000 2.600 305 W HA 0.473 5.133 4.660 0.001 0.000 0.325 305 W C -2.014 174.407 176.519 -0.163 0.000 1.034 305 W CA -1.175 56.099 57.345 -0.118 0.000 1.226 305 W CB 0.695 30.076 29.460 -0.132 0.000 1.379 305 W HN 0.494 nan 8.180 nan 0.000 0.466 306 W N 5.218 126.577 121.300 0.097 0.000 2.573 306 W HA 0.613 5.273 4.660 0.001 0.000 0.326 306 W C -0.149 176.297 176.519 -0.122 0.000 1.049 306 W CA -0.362 56.983 57.345 0.001 0.000 1.220 306 W CB 2.147 31.735 29.460 0.212 0.000 1.373 306 W HN 0.283 nan 8.180 nan 0.000 0.507 307 T N 0.670 115.229 114.554 0.007 0.000 2.906 307 T HA 0.796 5.147 4.350 0.001 0.000 0.295 307 T C -0.810 174.045 174.700 0.258 0.000 1.061 307 T CA -0.977 61.196 62.100 0.122 0.000 1.000 307 T CB 1.551 70.392 68.868 -0.045 0.000 1.103 307 T HN 0.446 nan 8.240 nan 0.000 0.486 308 V N -1.928 118.204 119.914 0.364 0.000 3.000 308 V HA 1.018 5.139 4.120 0.001 0.000 0.300 308 V C -0.296 175.948 176.094 0.250 0.000 1.251 308 V CA -0.622 61.862 62.300 0.306 0.000 0.972 308 V CB 1.377 33.342 31.823 0.236 0.000 1.065 308 V HN 1.498 nan 8.190 nan 0.000 0.431 309 G N 2.600 111.552 108.800 0.254 0.000 2.646 309 G HA2 0.830 4.791 3.960 0.001 0.000 0.291 309 G HA3 0.830 4.791 3.960 0.001 0.000 0.291 309 G C -1.509 173.513 174.900 0.203 0.000 1.445 309 G CA -0.235 44.919 45.100 0.090 0.000 0.814 309 G HN 1.751 nan 8.290 nan 0.000 0.495 310 I N -2.303 118.349 120.570 0.136 0.000 2.828 310 I HA 0.911 5.082 4.170 0.001 0.000 0.302 310 I C -0.648 175.563 176.117 0.156 0.000 1.101 310 I CA -1.531 59.873 61.300 0.173 0.000 1.031 310 I CB 2.796 40.871 38.000 0.125 0.000 1.231 310 I HN 0.517 nan 8.210 nan 0.000 0.427 311 R N 4.287 124.886 120.500 0.164 0.000 2.629 311 R HA 0.486 4.827 4.340 0.001 0.000 0.275 311 R C -2.891 173.492 176.300 0.140 0.000 1.719 311 R CA -1.430 54.757 56.100 0.145 0.000 1.472 311 R CB 1.328 31.711 30.300 0.137 0.000 1.237 311 R HN 0.465 nan 8.270 nan 0.000 0.589 312 P HA 0.128 nan 4.420 nan 0.000 0.278 312 P C -0.968 176.467 177.300 0.225 0.000 1.238 312 P CA -0.302 62.940 63.100 0.236 0.000 0.794 312 P CB 1.246 33.120 31.700 0.290 0.000 0.955 313 M N 3.663 123.398 119.600 0.225 0.000 2.204 313 M HA 0.332 4.812 4.480 0.001 0.000 0.293 313 M C -1.994 174.256 176.300 -0.084 0.000 0.994 313 M CA -1.024 54.319 55.300 0.072 0.000 0.925 313 M CB 1.647 34.252 32.600 0.009 0.000 1.577 313 M HN 0.264 nan 8.290 nan 0.000 0.439 314 Y N 4.823 124.861 120.300 -0.437 0.000 2.353 314 Y HA 0.420 4.971 4.550 0.001 0.000 0.340 314 Y C -0.854 174.612 175.900 -0.723 0.000 0.972 314 Y CA -0.339 57.197 58.100 -0.940 0.000 1.157 314 Y CB 0.922 38.621 38.460 -1.267 0.000 1.157 314 Y HN 0.526 nan 8.280 nan 0.000 0.495 315 K N 6.398 126.047 120.400 -1.250 0.000 2.250 315 K HA 0.065 4.386 4.320 0.001 0.000 0.280 315 K C -0.163 175.887 176.600 -0.917 0.000 1.098 315 K CA -0.206 55.606 56.287 -0.793 0.000 0.916 315 K CB 0.472 32.677 32.500 -0.492 0.000 1.209 315 K HN 0.816 nan 8.250 nan 0.000 0.461 316 W N 1.596 122.614 121.300 -0.470 0.000 2.388 316 W HA -0.073 4.588 4.660 0.001 0.000 0.294 316 W C 0.872 177.277 176.519 -0.189 0.000 1.212 316 W CA 0.433 57.624 57.345 -0.257 0.000 1.271 316 W CB 0.390 29.784 29.460 -0.109 0.000 1.126 316 W HN 0.331 nan 8.180 nan 0.000 0.535 317 T N -1.974 112.608 114.554 0.047 0.000 2.816 317 T HA 0.166 4.517 4.350 0.001 0.000 0.299 317 T C -2.101 172.585 174.700 -0.023 0.000 1.230 317 T CA -1.161 60.955 62.100 0.026 0.000 1.007 317 T CB 1.534 70.444 68.868 0.071 0.000 1.289 317 T HN -0.498 nan 8.240 nan 0.000 0.508 318 P HA 0.074 nan 4.420 nan 0.000 0.222 318 P C 1.047 178.351 177.300 0.007 0.000 1.147 318 P CA 0.888 63.983 63.100 -0.008 0.000 0.790 318 P CB -0.047 31.659 31.700 0.011 0.000 0.780 319 I N -7.364 113.224 120.570 0.031 0.000 4.227 319 I HA 0.370 4.541 4.170 0.001 0.000 0.334 319 I C 0.592 176.727 176.117 0.030 0.000 1.341 319 I CA -0.152 61.183 61.300 0.059 0.000 1.123 319 I CB 0.203 38.272 38.000 0.116 0.000 1.097 319 I HN -0.203 nan 8.210 nan 0.000 0.399 320 M N 2.920 122.499 119.600 -0.035 0.000 2.311 320 M HA 0.590 5.071 4.480 0.001 0.000 0.325 320 M C -0.887 175.362 176.300 -0.085 0.000 1.061 320 M CA -0.258 54.921 55.300 -0.202 0.000 0.957 320 M CB 1.691 34.138 32.600 -0.255 0.000 1.646 320 M HN 0.321 nan 8.290 nan 0.000 0.434 321 S N 2.260 117.879 115.700 -0.135 0.000 2.618 321 S HA 0.708 5.179 4.470 0.001 0.000 0.277 321 S C -0.983 173.658 174.600 0.069 0.000 1.138 321 S CA -0.763 57.438 58.200 0.001 0.000 0.844 321 S CB 2.180 65.321 63.200 -0.100 0.000 1.127 321 S HN 0.627 nan 8.310 nan 0.000 0.474 322 T N 1.692 116.335 114.554 0.150 0.000 2.770 322 T HA 0.630 4.981 4.350 0.001 0.000 0.283 322 T C -0.784 173.977 174.700 0.103 0.000 0.988 322 T CA -0.428 61.785 62.100 0.189 0.000 0.957 322 T CB 0.982 70.077 68.868 0.379 0.000 0.930 322 T HN 0.610 nan 8.240 nan 0.000 0.443 323 V N 4.955 124.934 119.914 0.109 0.000 2.555 323 V HA 0.654 4.774 4.120 0.001 0.000 0.302 323 V C -0.128 176.056 176.094 0.149 0.000 1.038 323 V CA -0.959 61.409 62.300 0.114 0.000 0.887 323 V CB 1.801 33.682 31.823 0.097 0.000 0.991 323 V HN 0.905 nan 8.190 nan 0.000 0.434 324 M N 3.533 123.226 119.600 0.156 0.000 2.464 324 M HA 0.700 5.181 4.480 0.001 0.000 0.308 324 M C -1.196 175.198 176.300 0.156 0.000 1.127 324 M CA -0.333 55.065 55.300 0.164 0.000 0.913 324 M CB 2.492 35.189 32.600 0.162 0.000 1.689 324 M HN 0.812 nan 8.290 nan 0.000 0.445 325 E N 4.327 124.623 120.200 0.160 0.000 2.256 325 E HA 0.580 4.931 4.350 0.001 0.000 0.268 325 E C -1.965 174.707 176.600 0.121 0.000 0.877 325 E CA -0.616 55.874 56.400 0.150 0.000 0.757 325 E CB 1.915 31.721 29.700 0.177 0.000 1.183 325 E HN 0.800 nan 8.360 nan 0.000 0.418 326 I N 3.294 123.902 120.570 0.063 0.000 2.418 326 I HA 0.534 4.704 4.170 0.001 0.000 0.287 326 I C 0.045 176.051 176.117 -0.184 0.000 1.008 326 I CA -0.696 60.612 61.300 0.013 0.000 1.104 326 I CB 2.091 40.110 38.000 0.032 0.000 1.264 326 I HN 0.543 nan 8.210 nan 0.000 0.438 327 G N 4.706 113.305 108.800 -0.335 0.000 2.591 327 G HA2 0.580 4.540 3.960 0.001 0.000 0.306 327 G HA3 0.580 4.540 3.960 0.001 0.000 0.306 327 G C -2.261 172.476 174.900 -0.271 0.000 1.334 327 G CA -0.453 44.044 45.100 -1.005 0.000 0.981 327 G HN 0.421 nan 8.290 nan 0.000 0.491 328 Y N 1.411 121.591 120.300 -0.201 0.000 2.391 328 Y HA 0.573 5.124 4.550 0.001 0.000 0.341 328 Y C -1.047 175.021 175.900 0.281 0.000 0.965 328 Y CA -1.036 57.133 58.100 0.115 0.000 1.067 328 Y CB 2.087 40.607 38.460 0.100 0.000 1.199 328 Y HN 0.438 nan 8.280 nan 0.000 0.450 329 D N 4.754 124.951 120.400 -0.339 0.000 2.481 329 D HA 0.238 4.878 4.640 0.001 0.000 0.244 329 D C -1.430 174.597 176.300 -0.455 0.000 1.057 329 D CA -0.577 53.353 54.000 -0.117 0.000 0.848 329 D CB 2.162 43.065 40.800 0.173 0.000 1.388 329 D HN 0.581 nan 8.370 nan 0.000 0.475 330 N N 1.569 120.255 118.700 -0.024 0.000 2.500 330 N HA 0.260 5.000 4.740 0.001 0.000 0.291 330 N C -1.857 173.878 175.510 0.375 0.000 1.092 330 N CA -0.312 52.810 53.050 0.120 0.000 0.890 330 N CB 1.823 40.443 38.487 0.222 0.000 1.466 330 N HN 0.053 nan 8.380 nan 0.000 0.507 331 V N 2.358 122.448 119.914 0.294 0.000 2.540 331 V HA 0.433 4.554 4.120 0.001 0.000 0.302 331 V C -0.005 176.352 176.094 0.438 0.000 1.035 331 V CA -0.823 61.684 62.300 0.346 0.000 0.873 331 V CB 1.790 33.739 31.823 0.211 0.000 0.992 331 V HN 0.603 nan 8.190 nan 0.000 0.428 332 E N 2.446 122.839 120.200 0.322 0.000 2.158 332 E HA 0.439 4.789 4.350 0.001 0.000 0.271 332 E C -0.349 176.172 176.600 -0.131 0.000 0.911 332 E CA -0.323 56.172 56.400 0.159 0.000 0.767 332 E CB 1.622 31.407 29.700 0.141 0.000 1.120 332 E HN 0.726 nan 8.360 nan 0.000 0.405 333 S N 3.226 118.532 115.700 -0.657 0.000 2.531 333 S HA -0.044 4.426 4.470 0.001 0.000 0.279 333 S C 0.987 175.290 174.600 -0.496 0.000 1.305 333 S CA 0.016 57.599 58.200 -1.028 0.000 1.058 333 S CB 1.377 63.520 63.200 -1.761 0.000 0.899 333 S HN 0.773 nan 8.310 nan 0.000 0.493 334 Q N 3.842 123.429 119.800 -0.356 0.000 2.119 334 Q HA -0.119 4.221 4.340 0.001 0.000 0.201 334 Q C 2.218 178.099 176.000 -0.200 0.000 0.972 334 Q CA 1.225 56.903 55.803 -0.209 0.000 0.847 334 Q CB -0.058 28.588 28.738 -0.153 0.000 0.903 334 Q HN 0.853 nan 8.270 nan 0.000 0.433 335 R N -0.496 119.851 120.500 -0.256 0.000 2.066 335 R HA -0.111 4.230 4.340 0.001 0.000 0.232 335 R C 2.162 178.334 176.300 -0.212 0.000 1.131 335 R CA 2.014 57.989 56.100 -0.210 0.000 0.955 335 R CB -0.104 30.058 30.300 -0.230 0.000 0.851 335 R HN 0.407 nan 8.270 nan 0.000 0.432 336 T N -4.838 109.542 114.554 -0.291 0.000 2.990 336 T HA 0.226 4.576 4.350 0.001 0.000 0.249 336 T C 1.310 175.906 174.700 -0.174 0.000 1.039 336 T CA 0.576 62.542 62.100 -0.223 0.000 1.036 336 T CB 0.878 69.599 68.868 -0.245 0.000 0.994 336 T HN 0.417 nan 8.240 nan 0.000 0.489 337 G N 1.742 110.414 108.800 -0.213 0.000 2.184 337 G HA2 -0.222 3.739 3.960 0.001 0.000 0.264 337 G HA3 -0.222 3.739 3.960 0.001 0.000 0.264 337 G C -0.186 174.661 174.900 -0.088 0.000 0.975 337 G CA 0.245 45.270 45.100 -0.126 0.000 0.642 337 G HN 0.625 nan 8.290 nan 0.000 0.536 338 D N 0.430 120.753 120.400 -0.129 0.000 2.361 338 D HA 0.406 5.047 4.640 0.001 0.000 0.239 338 D C 0.593 176.980 176.300 0.145 0.000 1.200 338 D CA 0.473 54.493 54.000 0.032 0.000 0.915 338 D CB 0.588 41.465 40.800 0.127 0.000 1.170 338 D HN 0.302 nan 8.370 nan 0.000 0.444 339 K N 1.271 121.859 120.400 0.314 0.000 2.378 339 K HA 0.347 4.667 4.320 0.001 0.000 0.252 339 K C -0.824 175.980 176.600 0.340 0.000 0.931 339 K CA -0.816 55.684 56.287 0.355 0.000 0.794 339 K CB 1.629 34.267 32.500 0.230 0.000 1.181 339 K HN 0.228 nan 8.250 nan 0.000 0.425 340 N N 2.760 121.629 118.700 0.283 0.000 2.372 340 N HA 0.291 5.032 4.740 0.001 0.000 0.291 340 N C -1.207 174.346 175.510 0.071 0.000 1.024 340 N CA -0.598 52.477 53.050 0.041 0.000 0.873 340 N CB 1.362 39.689 38.487 -0.266 0.000 1.206 340 N HN 0.694 nan 8.380 nan 0.000 0.486 341 N N 0.400 119.146 118.700 0.077 0.000 2.357 341 N HA 0.425 5.165 4.740 0.001 0.000 0.284 341 N C -1.413 174.150 175.510 0.088 0.000 1.236 341 N CA -0.578 52.503 53.050 0.052 0.000 0.774 341 N CB 2.858 41.429 38.487 0.139 0.000 1.534 341 N HN 0.425 nan 8.380 nan 0.000 0.478 342 Q N 0.494 120.317 119.800 0.038 0.000 2.386 342 Q HA 0.277 4.617 4.340 0.001 0.000 0.274 342 Q C -2.138 173.983 176.000 0.202 0.000 1.011 342 Q CA -0.779 55.092 55.803 0.113 0.000 0.867 342 Q CB 2.010 30.809 28.738 0.103 0.000 1.409 342 Q HN 0.715 nan 8.270 nan 0.000 0.395 343 Y N 0.692 121.114 120.300 0.204 0.000 2.409 343 Y HA 0.705 5.255 4.550 0.001 0.000 0.343 343 Y C -1.414 174.573 175.900 0.144 0.000 0.973 343 Y CA -0.939 57.292 58.100 0.218 0.000 1.064 343 Y CB 1.545 40.166 38.460 0.268 0.000 1.207 343 Y HN 0.412 nan 8.280 nan 0.000 0.452 344 K N 5.082 125.641 120.400 0.266 0.000 2.324 344 K HA 0.669 4.990 4.320 0.001 0.000 0.253 344 K C -1.899 174.859 176.600 0.263 0.000 0.932 344 K CA -0.782 55.630 56.287 0.208 0.000 0.799 344 K CB 1.480 34.109 32.500 0.215 0.000 1.154 344 K HN 0.975 nan 8.250 nan 0.000 0.425 345 I N 2.564 123.325 120.570 0.319 0.000 2.466 345 I HA 0.246 4.417 4.170 0.001 0.000 0.289 345 I C -0.622 175.680 176.117 0.309 0.000 1.026 345 I CA -0.579 60.903 61.300 0.302 0.000 1.078 345 I CB 2.342 40.543 38.000 0.334 0.000 1.249 345 I HN 0.471 nan 8.210 nan 0.000 0.429 346 T N 6.668 121.379 114.554 0.261 0.000 2.841 346 T HA 0.556 4.907 4.350 0.001 0.000 0.283 346 T C -0.671 174.182 174.700 0.254 0.000 1.000 346 T CA -0.526 61.746 62.100 0.286 0.000 0.977 346 T CB 1.755 70.769 68.868 0.244 0.000 0.979 346 T HN 0.301 nan 8.240 nan 0.000 0.446 347 L N 2.649 124.044 121.223 0.287 0.000 2.333 347 L HA 0.817 5.158 4.340 0.001 0.000 0.280 347 L C -0.640 176.404 176.870 0.291 0.000 1.004 347 L CA -0.709 54.279 54.840 0.246 0.000 0.820 347 L CB 1.293 43.478 42.059 0.210 0.000 1.247 347 L HN 0.827 nan 8.230 nan 0.000 0.416 348 A N 3.675 126.642 122.820 0.245 0.000 2.449 348 A HA 0.644 4.964 4.320 0.001 0.000 0.302 348 A C -1.262 176.421 177.584 0.165 0.000 1.048 348 A CA -0.551 51.643 52.037 0.261 0.000 0.708 348 A CB 2.049 21.216 19.000 0.280 0.000 1.274 348 A HN 0.579 nan 8.150 nan 0.000 0.410 349 Q N 0.842 120.722 119.800 0.133 0.000 2.257 349 Q HA 0.552 4.893 4.340 0.001 0.000 0.255 349 Q C -0.559 175.373 176.000 -0.114 0.000 0.920 349 Q CA 0.089 55.864 55.803 -0.046 0.000 0.927 349 Q CB 1.133 29.807 28.738 -0.106 0.000 1.229 349 Q HN 0.733 nan 8.270 nan 0.000 0.433 350 Q N 3.561 123.175 119.800 -0.309 0.000 2.359 350 Q HA 0.413 4.753 4.340 0.001 0.000 0.274 350 Q C -1.556 174.234 176.000 -0.351 0.000 1.074 350 Q CA -0.588 55.130 55.803 -0.142 0.000 0.810 350 Q CB 1.271 30.016 28.738 0.011 0.000 1.342 350 Q HN 0.679 nan 8.270 nan 0.000 0.427 351 W N 4.817 126.157 121.300 0.066 0.000 2.471 351 W HA 0.331 4.992 4.660 0.001 0.000 0.318 351 W C -0.201 176.333 176.519 0.026 0.000 1.034 351 W CA -0.548 56.824 57.345 0.044 0.000 1.224 351 W CB 1.910 31.391 29.460 0.035 0.000 1.335 351 W HN 0.630 nan 8.180 nan 0.000 0.452 352 Q N 1.320 121.221 119.800 0.168 0.000 2.495 352 Q HA 0.631 4.972 4.340 0.001 0.000 0.287 352 Q C -1.152 174.890 176.000 0.071 0.000 1.078 352 Q CA -0.885 54.972 55.803 0.091 0.000 0.793 352 Q CB 1.761 30.520 28.738 0.035 0.000 1.459 352 Q HN 0.413 nan 8.270 nan 0.000 0.422 353 A N 0.771 123.614 122.820 0.039 0.000 3.056 353 A HA 0.646 4.966 4.320 0.001 0.000 0.274 353 A C 0.500 178.106 177.584 0.037 0.000 1.661 353 A CA 0.557 52.615 52.037 0.036 0.000 1.363 353 A CB -1.271 17.741 19.000 0.020 0.000 1.139 353 A HN 1.335 nan 8.150 nan 0.000 0.598 354 G N 0.838 109.663 108.800 0.042 0.000 2.351 354 G HA2 0.264 4.225 3.960 0.001 0.000 0.353 354 G HA3 0.264 4.225 3.960 0.001 0.000 0.353 354 G C -0.583 174.337 174.900 0.033 0.000 1.358 354 G CA -0.006 45.120 45.100 0.044 0.000 0.995 354 G HN 0.647 nan 8.290 nan 0.000 0.611 355 D N -1.030 119.390 120.400 0.033 0.000 2.501 355 D HA 0.408 5.049 4.640 0.001 0.000 0.226 355 D C 0.765 177.076 176.300 0.017 0.000 1.198 355 D CA 0.460 54.464 54.000 0.006 0.000 0.830 355 D CB 0.691 41.486 40.800 -0.008 0.000 1.014 355 D HN 0.572 nan 8.370 nan 0.000 0.496 356 S N -0.325 115.409 115.700 0.057 0.000 2.681 356 S HA 0.427 4.897 4.470 0.001 0.000 0.299 356 S C 0.803 175.432 174.600 0.049 0.000 1.113 356 S CA -0.860 57.396 58.200 0.094 0.000 1.013 356 S CB 1.286 64.607 63.200 0.201 0.000 1.076 356 S HN 0.163 nan 8.310 nan 0.000 0.534 357 I N 1.723 122.289 120.570 -0.005 0.000 3.111 357 I HA 0.127 4.298 4.170 0.001 0.000 0.272 357 I C 0.503 176.479 176.117 -0.234 0.000 1.268 357 I CA 0.636 61.848 61.300 -0.146 0.000 1.467 357 I CB 0.061 37.921 38.000 -0.233 0.000 1.087 357 I HN 0.772 nan 8.210 nan 0.000 0.467 358 W N 0.472 121.834 121.300 0.103 0.000 3.139 358 W HA 0.163 4.823 4.660 0.001 0.000 0.260 358 W C 1.274 177.846 176.519 0.089 0.000 1.312 358 W CA -0.425 57.023 57.345 0.171 0.000 1.606 358 W CB -0.077 29.518 29.460 0.225 0.000 1.118 358 W HN -0.087 nan 8.180 nan 0.000 0.675 359 S N 2.114 117.917 115.700 0.171 0.000 2.533 359 S HA 0.306 4.776 4.470 0.001 0.000 0.282 359 S C 0.277 174.804 174.600 -0.121 0.000 1.304 359 S CA -0.189 58.044 58.200 0.055 0.000 1.063 359 S CB 0.412 63.641 63.200 0.048 0.000 0.881 359 S HN -0.009 nan 8.310 nan 0.000 0.493 360 R N 2.558 122.919 120.500 -0.232 0.000 2.771 360 R HA 0.545 4.886 4.340 0.001 0.000 0.274 360 R C -2.775 173.418 176.300 -0.178 0.000 0.987 360 R CA -2.160 53.717 56.100 -0.370 0.000 0.908 360 R CB 0.840 30.575 30.300 -0.942 0.000 1.213 360 R HN 0.385 nan 8.270 nan 0.000 0.468 361 P HA 0.417 nan 4.420 nan 0.000 0.274 361 P C -1.185 176.074 177.300 -0.068 0.000 1.256 361 P CA -0.507 62.520 63.100 -0.122 0.000 0.795 361 P CB 0.909 32.567 31.700 -0.070 0.000 1.038 362 A N 1.356 124.152 122.820 -0.041 0.000 2.398 362 A HA 0.665 4.986 4.320 0.001 0.000 0.301 362 A C -0.666 176.977 177.584 0.099 0.000 1.041 362 A CA -0.746 51.314 52.037 0.038 0.000 0.711 362 A CB 0.809 19.820 19.000 0.018 0.000 1.240 362 A HN 0.428 nan 8.150 nan 0.000 0.420 363 I N 2.227 122.908 120.570 0.186 0.000 2.362 363 I HA 0.429 4.599 4.170 0.001 0.000 0.289 363 I C 0.027 176.357 176.117 0.355 0.000 0.994 363 I CA -0.352 61.087 61.300 0.231 0.000 1.158 363 I CB 1.665 39.780 38.000 0.192 0.000 1.315 363 I HN 0.685 nan 8.210 nan 0.000 0.451 364 R N 4.791 125.485 120.500 0.323 0.000 2.589 364 R HA 0.750 5.091 4.340 0.001 0.000 0.293 364 R C -1.247 175.312 176.300 0.433 0.000 0.963 364 R CA -0.806 55.518 56.100 0.373 0.000 0.905 364 R CB 2.465 32.968 30.300 0.337 0.000 1.144 364 R HN 0.282 nan 8.270 nan 0.000 0.459 365 V N 4.362 124.535 119.914 0.432 0.000 2.409 365 V HA 0.541 4.662 4.120 0.001 0.000 0.291 365 V C -0.817 175.497 176.094 0.367 0.000 1.020 365 V CA -0.605 61.909 62.300 0.356 0.000 0.848 365 V CB 0.783 32.803 31.823 0.327 0.000 0.990 365 V HN 0.683 nan 8.190 nan 0.000 0.430 366 F N 2.726 122.848 119.950 0.287 0.000 2.640 366 F HA 1.029 5.557 4.527 0.001 0.000 0.324 366 F C -0.324 175.689 175.800 0.355 0.000 1.077 366 F CA -1.401 56.768 58.000 0.282 0.000 0.965 366 F CB 1.937 41.092 39.000 0.258 0.000 1.351 366 F HN 0.567 nan 8.300 nan 0.000 0.487 367 A N 0.979 124.142 122.820 0.573 0.000 2.427 367 A HA 0.727 5.047 4.320 0.001 0.000 0.298 367 A C -1.245 176.726 177.584 0.643 0.000 1.036 367 A CA -0.596 51.784 52.037 0.571 0.000 0.701 367 A CB 1.402 20.648 19.000 0.411 0.000 1.250 367 A HN 0.843 nan 8.150 nan 0.000 0.412 368 T N 1.641 116.625 114.554 0.717 0.000 2.841 368 T HA 0.587 4.938 4.350 0.001 0.000 0.283 368 T C -1.607 173.458 174.700 0.607 0.000 1.000 368 T CA -0.097 62.368 62.100 0.608 0.000 0.977 368 T CB 0.969 70.196 68.868 0.598 0.000 0.979 368 T HN 0.586 nan 8.240 nan 0.000 0.446 369 Y N 2.107 122.610 120.300 0.338 0.000 2.361 369 Y HA 0.679 5.229 4.550 0.001 0.000 0.337 369 Y C -0.936 175.020 175.900 0.093 0.000 0.965 369 Y CA -0.880 57.360 58.100 0.234 0.000 1.091 369 Y CB 1.057 39.630 38.460 0.188 0.000 1.182 369 Y HN 0.787 nan 8.280 nan 0.000 0.450 370 A N 6.530 128.887 122.820 -0.772 0.000 2.386 370 A HA 0.720 5.040 4.320 0.001 0.000 0.311 370 A C -1.580 175.413 177.584 -0.985 0.000 1.068 370 A CA -0.941 50.678 52.037 -0.696 0.000 0.743 370 A CB 1.666 20.297 19.000 -0.615 0.000 1.258 370 A HN 0.568 nan 8.150 nan 0.000 0.429 371 K N 1.926 121.824 120.400 -0.838 0.000 2.471 371 K HA 0.505 4.825 4.320 0.001 0.000 0.252 371 K C -1.898 174.458 176.600 -0.405 0.000 0.938 371 K CA -0.331 55.474 56.287 -0.802 0.000 0.796 371 K CB 1.428 33.440 32.500 -0.813 0.000 1.161 371 K HN 0.812 nan 8.250 nan 0.000 0.425 372 W N 2.052 123.173 121.300 -0.298 0.000 2.975 372 W HA 0.626 5.286 4.660 0.001 0.000 0.342 372 W C -1.058 175.410 176.519 -0.086 0.000 1.168 372 W CA -0.877 56.368 57.345 -0.168 0.000 1.141 372 W CB 0.950 30.320 29.460 -0.149 0.000 1.445 372 W HN 0.387 nan 8.180 nan 0.000 0.560 373 D N 1.024 121.540 120.400 0.194 0.000 2.319 373 D HA 0.182 4.822 4.640 0.001 0.000 0.237 373 D C -1.417 174.968 176.300 0.141 0.000 1.353 373 D CA -0.223 53.847 54.000 0.117 0.000 0.992 373 D CB 0.941 41.790 40.800 0.081 0.000 1.368 373 D HN 0.550 nan 8.370 nan 0.000 0.564 374 E N 2.484 122.774 120.200 0.150 0.000 2.133 374 E HA 0.281 4.631 4.350 0.001 0.000 0.274 374 E C 0.260 176.892 176.600 0.053 0.000 0.930 374 E CA -0.512 55.909 56.400 0.035 0.000 0.770 374 E CB 2.336 32.005 29.700 -0.053 0.000 1.104 374 E HN 0.195 nan 8.360 nan 0.000 0.403 375 K N 2.465 122.916 120.400 0.086 0.000 2.358 375 K HA 0.114 4.435 4.320 0.001 0.000 0.197 375 K C -0.321 176.427 176.600 0.247 0.000 1.025 375 K CA 0.059 56.443 56.287 0.162 0.000 1.104 375 K CB 0.602 33.212 32.500 0.183 0.000 0.855 375 K HN 0.493 nan 8.250 nan 0.000 0.531 376 W N -1.087 120.209 121.300 -0.007 0.000 3.025 376 W HA 0.676 5.336 4.660 0.001 0.000 0.343 376 W C -0.930 175.531 176.519 -0.096 0.000 1.246 376 W CA -1.045 56.259 57.345 -0.069 0.000 1.178 376 W CB 0.434 29.810 29.460 -0.141 0.000 1.463 376 W HN -0.086 nan 8.180 nan 0.000 0.578 377 G N 0.274 109.119 108.800 0.075 0.000 2.608 377 G HA2 0.561 4.521 3.960 0.001 0.000 0.291 377 G HA3 0.561 4.521 3.960 0.001 0.000 0.291 377 G C -2.751 172.110 174.900 -0.064 0.000 1.425 377 G CA -0.989 44.016 45.100 -0.159 0.000 0.787 377 G HN 0.411 nan 8.290 nan 0.000 0.484 378 Y N 0.389 120.716 120.300 0.044 0.000 2.304 378 Y HA 0.378 4.929 4.550 0.001 0.000 0.328 378 Y C 0.330 176.059 175.900 -0.286 0.000 1.123 378 Y CA -0.423 57.572 58.100 -0.175 0.000 1.218 378 Y CB 1.546 39.831 38.460 -0.293 0.000 1.207 378 Y HN 0.406 nan 8.280 nan 0.000 0.495 379 D N 2.297 122.492 120.400 -0.341 0.000 2.365 379 D HA 0.071 4.711 4.640 0.001 0.000 0.237 379 D C -0.926 175.085 176.300 -0.481 0.000 1.190 379 D CA 0.029 53.881 54.000 -0.246 0.000 0.867 379 D CB 0.043 40.615 40.800 -0.379 0.000 1.050 379 D HN 0.414 nan 8.370 nan 0.000 0.491 380 Y N 1.633 121.905 120.300 -0.046 0.000 2.696 380 Y HA 0.135 4.685 4.550 0.001 0.000 0.260 380 Y C 0.968 176.897 175.900 0.050 0.000 1.165 380 Y CA -0.520 57.372 58.100 -0.346 0.000 1.189 380 Y CB -0.016 38.297 38.460 -0.245 0.000 1.180 380 Y HN 0.238 nan 8.280 nan 0.000 0.538 381 T N -2.517 112.212 114.554 0.291 0.000 2.882 381 T HA 0.591 4.941 4.350 0.001 0.000 0.287 381 T C 1.176 176.082 174.700 0.342 0.000 1.014 381 T CA 0.169 62.448 62.100 0.299 0.000 1.049 381 T CB 1.444 70.479 68.868 0.279 0.000 1.001 381 T HN 0.624 nan 8.240 nan 0.000 0.525 382 G N 2.252 111.197 108.800 0.242 0.000 2.574 382 G HA2 -0.202 3.759 3.960 0.001 0.000 0.286 382 G HA3 -0.202 3.759 3.960 0.001 0.000 0.286 382 G C -0.276 174.736 174.900 0.188 0.000 1.212 382 G CA 0.172 45.377 45.100 0.176 0.000 0.979 382 G HN 1.547 nan 8.290 nan 0.000 0.557 383 N N -0.473 118.235 118.700 0.013 0.000 2.647 383 N HA 0.580 5.320 4.740 0.001 0.000 0.266 383 N C 0.936 176.089 175.510 -0.594 0.000 1.373 383 N CA -0.071 52.795 53.050 -0.305 0.000 0.807 383 N CB 1.420 39.792 38.487 -0.191 0.000 1.513 383 N HN 1.368 nan 8.380 nan 0.000 0.505 384 A N -0.166 122.045 122.820 -1.016 0.000 2.070 384 A HA -0.201 4.119 4.320 0.001 0.000 0.220 384 A C 1.558 178.941 177.584 -0.335 0.000 1.159 384 A CA 2.015 53.646 52.037 -0.677 0.000 0.656 384 A CB -0.740 17.947 19.000 -0.521 0.000 0.800 384 A HN 0.794 nan 8.150 nan 0.000 0.453 385 D N -0.164 119.879 120.400 -0.594 0.000 2.137 385 D HA -0.094 4.547 4.640 0.001 0.000 0.202 385 D C 1.632 177.762 176.300 -0.283 0.000 0.970 385 D CA 1.250 54.931 54.000 -0.533 0.000 0.837 385 D CB -0.137 39.875 40.800 -1.314 0.000 0.981 385 D HN 0.354 nan 8.370 nan 0.000 0.475 386 N N 0.164 118.704 118.700 -0.266 0.000 2.300 386 N HA -0.083 4.657 4.740 0.001 0.000 0.179 386 N C 0.179 175.668 175.510 -0.035 0.000 1.016 386 N CA 0.518 53.500 53.050 -0.113 0.000 0.876 386 N CB -0.267 38.178 38.487 -0.069 0.000 0.979 386 N HN 0.127 nan 8.380 nan 0.000 0.432 387 N N 0.412 119.100 118.700 -0.019 0.000 2.479 387 N HA 0.342 5.083 4.740 0.001 0.000 0.261 387 N C 0.119 175.673 175.510 0.073 0.000 0.979 387 N CA -0.295 52.798 53.050 0.072 0.000 0.930 387 N CB 1.507 40.099 38.487 0.177 0.000 1.172 387 N HN -0.022 nan 8.380 nan 0.000 0.499 388 A N 3.587 126.444 122.820 0.062 0.000 2.015 388 A HA -0.072 4.249 4.320 0.001 0.000 0.219 388 A C 1.381 178.998 177.584 0.054 0.000 1.163 388 A CA 1.040 53.107 52.037 0.051 0.000 0.646 388 A CB -0.159 18.865 19.000 0.040 0.000 0.806 388 A HN 0.669 nan 8.150 nan 0.000 0.448 389 N N -1.211 117.523 118.700 0.057 0.000 2.398 389 N HA 0.115 4.856 4.740 0.001 0.000 0.188 389 N C -0.192 175.300 175.510 -0.030 0.000 1.122 389 N CA -0.323 52.721 53.050 -0.011 0.000 0.866 389 N CB -0.496 37.952 38.487 -0.064 0.000 0.970 389 N HN 0.429 nan 8.380 nan 0.000 0.462 390 F N 1.014 120.887 119.950 -0.129 0.000 2.580 390 F HA 0.134 4.661 4.527 0.001 0.000 0.398 390 F C 1.633 177.264 175.800 -0.281 0.000 1.023 390 F CA 1.137 59.006 58.000 -0.219 0.000 1.188 390 F CB 0.036 38.844 39.000 -0.320 0.000 1.005 390 F HN 0.299 nan 8.300 nan 0.000 0.546 391 G N 3.390 111.722 108.800 -0.780 0.000 2.176 391 G HA2 -0.242 3.718 3.960 0.001 0.000 0.253 391 G HA3 -0.242 3.718 3.960 0.001 0.000 0.253 391 G C 0.140 174.918 174.900 -0.203 0.000 0.979 391 G CA -0.085 44.684 45.100 -0.552 0.000 0.641 391 G HN 0.528 nan 8.290 nan 0.000 0.530 392 K N 0.857 121.147 120.400 -0.184 0.000 2.118 392 K HA 0.739 5.059 4.320 0.001 0.000 0.267 392 K C 0.762 177.303 176.600 -0.099 0.000 0.991 392 K CA 0.131 56.367 56.287 -0.085 0.000 0.916 392 K CB 1.382 33.789 32.500 -0.155 0.000 1.041 392 K HN 0.695 nan 8.250 nan 0.000 0.455 393 A N 1.553 124.326 122.820 -0.078 0.000 2.483 393 A HA 0.345 4.666 4.320 0.001 0.000 0.238 393 A C -0.251 177.132 177.584 -0.335 0.000 1.070 393 A CA -0.139 51.749 52.037 -0.248 0.000 0.770 393 A CB 0.386 19.048 19.000 -0.563 0.000 1.008 393 A HN 0.392 nan 8.150 nan 0.000 0.497 394 V N 3.974 123.713 119.914 -0.293 0.000 2.969 394 V HA 0.420 4.540 4.120 0.001 0.000 0.304 394 V C -2.455 173.526 176.094 -0.188 0.000 1.192 394 V CA -1.381 60.630 62.300 -0.482 0.000 0.962 394 V CB 2.596 33.857 31.823 -0.937 0.000 1.045 394 V HN 0.860 nan 8.190 nan 0.000 0.428 395 P HA 0.093 nan 4.420 nan 0.000 0.269 395 P C 0.542 177.956 177.300 0.191 0.000 1.211 395 P CA 0.390 63.542 63.100 0.087 0.000 0.781 395 P CB 0.692 32.455 31.700 0.105 0.000 0.877 396 A N 2.437 125.394 122.820 0.227 0.000 1.978 396 A HA -0.203 4.117 4.320 0.001 0.000 0.220 396 A C 1.236 179.021 177.584 0.336 0.000 1.170 396 A CA 2.200 54.398 52.037 0.269 0.000 0.636 396 A CB -1.171 17.937 19.000 0.179 0.000 0.810 396 A HN 0.655 nan 8.150 nan 0.000 0.448 397 D N -2.440 118.130 120.400 0.283 0.000 2.402 397 D HA 0.118 4.759 4.640 0.001 0.000 0.216 397 D C 0.246 176.730 176.300 0.306 0.000 1.128 397 D CA -0.779 53.373 54.000 0.254 0.000 0.833 397 D CB -0.853 40.039 40.800 0.153 0.000 0.971 397 D HN 0.198 nan 8.370 nan 0.000 0.503 398 F N 2.764 122.837 119.950 0.204 0.000 2.548 398 F HA -0.004 4.524 4.527 0.001 0.000 0.403 398 F C 0.727 176.642 175.800 0.192 0.000 1.004 398 F CA 0.214 58.283 58.000 0.115 0.000 1.177 398 F CB -0.010 38.935 39.000 -0.091 0.000 0.974 398 F HN -0.033 nan 8.300 nan 0.000 0.541 399 N N 4.129 122.573 118.700 -0.426 0.000 2.721 399 N HA -0.208 4.532 4.740 0.001 0.000 0.249 399 N C 1.000 176.446 175.510 -0.107 0.000 1.072 399 N CA 1.346 54.161 53.050 -0.392 0.000 0.710 399 N CB -1.448 36.655 38.487 -0.640 0.000 0.993 399 N HN 1.337 nan 8.380 nan 0.000 0.547 400 G N -2.616 106.177 108.800 -0.011 0.000 2.189 400 G HA2 -0.248 3.712 3.960 0.001 0.000 0.267 400 G HA3 -0.248 3.712 3.960 0.001 0.000 0.267 400 G C 0.673 175.600 174.900 0.046 0.000 0.975 400 G CA 1.089 46.202 45.100 0.021 0.000 0.644 400 G HN 0.891 nan 8.290 nan 0.000 0.537 401 G N -0.560 108.307 108.800 0.112 0.000 2.525 401 G HA2 0.707 4.667 3.960 0.001 0.000 0.287 401 G HA3 0.707 4.667 3.960 0.001 0.000 0.287 401 G C 0.188 175.075 174.900 -0.022 0.000 1.350 401 G CA 0.583 45.696 45.100 0.022 0.000 1.039 401 G HN 1.580 nan 8.290 nan 0.000 0.513 402 S N -1.085 114.431 115.700 -0.306 0.000 2.707 402 S HA 0.688 5.159 4.470 0.001 0.000 0.303 402 S C -1.316 173.037 174.600 -0.411 0.000 1.132 402 S CA -0.690 57.402 58.200 -0.180 0.000 1.046 402 S CB 1.116 64.257 63.200 -0.098 0.000 1.004 402 S HN 0.341 nan 8.310 nan 0.000 0.483 403 F N 1.544 121.532 119.950 0.064 0.000 2.540 403 F HA 0.831 5.359 4.527 0.001 0.000 0.317 403 F C 1.033 176.824 175.800 -0.016 0.000 1.104 403 F CA 0.296 58.317 58.000 0.036 0.000 0.913 403 F CB 1.987 41.019 39.000 0.053 0.000 1.170 403 F HN 1.204 nan 8.300 nan 0.000 0.450 404 G N 2.451 111.305 108.800 0.090 0.000 2.760 404 G HA2 -0.227 3.733 3.960 0.001 0.000 0.246 404 G HA3 -0.227 3.733 3.960 0.001 0.000 0.246 404 G C 0.012 174.894 174.900 -0.030 0.000 1.359 404 G CA -0.725 44.337 45.100 -0.063 0.000 0.861 404 G HN 0.746 nan 8.290 nan 0.000 0.541 405 R N 0.786 121.252 120.500 -0.056 0.000 2.359 405 R HA 0.460 4.800 4.340 0.001 0.000 0.231 405 R C 1.613 178.071 176.300 0.263 0.000 0.913 405 R CA 1.175 57.280 56.100 0.009 0.000 1.075 405 R CB 0.063 30.185 30.300 -0.296 0.000 1.087 405 R HN 2.188 nan 8.270 nan 0.000 0.515 406 G N 1.483 110.406 108.800 0.205 0.000 2.553 406 G HA2 -0.287 3.673 3.960 0.001 0.000 0.242 406 G HA3 -0.287 3.673 3.960 0.001 0.000 0.242 406 G C -1.144 173.891 174.900 0.224 0.000 1.277 406 G CA -0.059 45.162 45.100 0.202 0.000 0.910 406 G HN 0.319 nan 8.290 nan 0.000 0.576 407 D N 0.046 120.482 120.400 0.060 0.000 2.408 407 D HA 0.665 5.305 4.640 0.001 0.000 0.261 407 D C -0.105 176.004 176.300 -0.318 0.000 1.190 407 D CA 0.703 54.636 54.000 -0.111 0.000 0.910 407 D CB 0.859 41.633 40.800 -0.043 0.000 1.097 407 D HN 0.731 nan 8.370 nan 0.000 0.522 408 S N 2.494 117.690 115.700 -0.840 0.000 2.727 408 S HA 0.573 5.044 4.470 0.001 0.000 0.278 408 S C -1.915 171.762 174.600 -1.538 0.000 1.186 408 S CA -0.625 57.019 58.200 -0.926 0.000 0.836 408 S CB 1.387 64.268 63.200 -0.532 0.000 1.186 408 S HN 0.309 nan 8.310 nan 0.000 0.499 409 D N 0.438 120.184 120.400 -1.091 0.000 2.523 409 D HA 0.826 5.467 4.640 0.001 0.000 0.236 409 D C -1.414 174.609 176.300 -0.462 0.000 1.094 409 D CA 0.109 53.633 54.000 -0.793 0.000 0.942 409 D CB 1.997 42.649 40.800 -0.246 0.000 1.447 409 D HN 0.403 nan 8.370 nan 0.000 0.479 410 E N 0.227 120.233 120.200 -0.322 0.000 2.389 410 E HA 0.406 4.756 4.350 0.001 0.000 0.281 410 E C -1.805 174.891 176.600 0.158 0.000 1.072 410 E CA -0.835 55.595 56.400 0.050 0.000 0.845 410 E CB 0.663 30.486 29.700 0.204 0.000 1.239 410 E HN 0.395 nan 8.360 nan 0.000 0.434 411 W N 2.409 123.836 121.300 0.212 0.000 2.915 411 W HA 0.821 5.481 4.660 0.001 0.000 0.337 411 W C -1.083 175.702 176.519 0.444 0.000 1.102 411 W CA -0.611 56.939 57.345 0.341 0.000 1.224 411 W CB 0.633 30.328 29.460 0.392 0.000 1.416 411 W HN 0.647 nan 8.180 nan 0.000 0.503 412 T N 0.214 115.114 114.554 0.577 0.000 2.901 412 T HA 0.865 5.216 4.350 0.001 0.000 0.293 412 T C -1.081 173.960 174.700 0.567 0.000 1.084 412 T CA -0.548 61.774 62.100 0.370 0.000 1.008 412 T CB 2.484 71.585 68.868 0.387 0.000 1.170 412 T HN 0.757 nan 8.240 nan 0.000 0.509 413 F N -1.951 118.109 119.950 0.184 0.000 2.686 413 F HA 0.958 5.485 4.527 0.001 0.000 0.311 413 F C -0.072 175.554 175.800 -0.291 0.000 1.128 413 F CA -0.484 57.473 58.000 -0.072 0.000 0.946 413 F CB 1.345 40.407 39.000 0.103 0.000 1.336 413 F HN 1.154 nan 8.300 nan 0.000 0.457 414 G N -0.138 108.288 108.800 -0.623 0.000 2.344 414 G HA2 0.660 4.620 3.960 0.001 0.000 0.282 414 G HA3 0.660 4.620 3.960 0.001 0.000 0.282 414 G C -2.340 172.409 174.900 -0.251 0.000 1.281 414 G CA -0.208 44.745 45.100 -0.245 0.000 0.877 414 G HN 1.648 nan 8.290 nan 0.000 0.494 415 A N -0.726 122.158 122.820 0.106 0.000 2.435 415 A HA 0.935 5.255 4.320 0.001 0.000 0.304 415 A C -0.627 177.143 177.584 0.310 0.000 1.064 415 A CA -0.170 52.017 52.037 0.250 0.000 0.727 415 A CB 2.210 21.334 19.000 0.206 0.000 1.284 415 A HN 1.057 nan 8.150 nan 0.000 0.415 416 Q N 0.593 120.586 119.800 0.322 0.000 2.426 416 Q HA 0.571 4.912 4.340 0.001 0.000 0.278 416 Q C -1.789 174.321 176.000 0.184 0.000 1.007 416 Q CA -0.684 55.267 55.803 0.247 0.000 0.850 416 Q CB 1.899 30.808 28.738 0.286 0.000 1.427 416 Q HN 1.017 nan 8.270 nan 0.000 0.391 417 M N 0.630 120.302 119.600 0.119 0.000 2.537 417 M HA 0.670 5.151 4.480 0.001 0.000 0.324 417 M C -1.007 175.331 176.300 0.063 0.000 1.187 417 M CA -0.240 55.108 55.300 0.080 0.000 0.993 417 M CB 1.822 34.443 32.600 0.035 0.000 1.666 417 M HN 0.494 nan 8.290 nan 0.000 0.461 418 E N 1.970 122.189 120.200 0.033 0.000 2.314 418 E HA 0.771 5.122 4.350 0.001 0.000 0.272 418 E C -2.068 174.472 176.600 -0.100 0.000 0.884 418 E CA -0.813 55.585 56.400 -0.002 0.000 0.753 418 E CB 2.355 32.122 29.700 0.111 0.000 1.213 418 E HN 0.928 nan 8.360 nan 0.000 0.432 419 I N 3.857 124.340 120.570 -0.145 0.000 2.775 419 I HA 0.543 4.713 4.170 0.001 0.000 0.295 419 I C -2.030 174.173 176.117 0.142 0.000 1.287 419 I CA -0.745 60.499 61.300 -0.093 0.000 1.029 419 I CB 1.104 39.092 38.000 -0.019 0.000 1.282 419 I HN 0.696 nan 8.210 nan 0.000 0.426 420 W N 5.960 127.430 121.300 0.283 0.000 2.819 420 W HA 0.831 5.491 4.660 0.001 0.000 0.337 420 W C -1.651 175.077 176.519 0.349 0.000 1.077 420 W CA -0.788 56.724 57.345 0.278 0.000 1.226 420 W CB 0.097 29.692 29.460 0.225 0.000 1.419 420 W HN 0.656 nan 8.180 nan 0.000 0.502 421 W N 0.000 121.451 121.300 0.251 0.000 2.388 421 W HA 0.000 4.660 4.660 0.001 0.000 0.303 421 W CA 0.000 57.445 57.345 0.166 0.000 1.226 421 W CB 0.000 29.462 29.460 0.004 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535