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 1mpm_1_C 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 0.000 176.148 176.094 0.090 0.000 1.182 1 V CA 0.000 62.345 62.300 0.076 0.000 1.235 1 V CB 0.000 31.858 31.823 0.058 0.000 1.184 2 D N 5.541 126.003 120.400 0.103 0.000 2.225 2 D HA 0.418 5.059 4.640 0.001 0.000 0.248 2 D C -0.791 175.526 176.300 0.029 0.000 1.096 2 D CA 0.242 54.269 54.000 0.045 0.000 0.863 2 D CB 1.653 42.535 40.800 0.136 0.000 1.156 2 D HN 0.423 nan 8.370 nan 0.000 0.450 3 F N 4.197 124.000 119.950 -0.245 0.000 2.402 3 F HA 0.311 4.839 4.527 0.001 0.000 0.355 3 F C -0.649 175.049 175.800 -0.170 0.000 1.123 3 F CA -0.398 57.566 58.000 -0.060 0.000 1.021 3 F CB 0.479 39.545 39.000 0.110 0.000 1.160 3 F HN 0.256 nan 8.300 nan 0.000 0.451 4 H N 2.618 121.588 119.070 -0.168 0.000 2.931 4 H HA 0.864 5.421 4.556 0.001 0.000 0.331 4 H C 0.092 174.655 175.328 -1.275 0.000 1.273 4 H CA -0.544 54.996 56.048 -0.846 0.000 1.171 4 H CB 1.635 31.118 29.762 -0.466 0.000 1.898 4 H HN 0.807 nan 8.280 nan 0.000 0.562 5 G N -0.719 107.040 108.800 -1.735 0.000 2.367 5 G HA2 0.277 4.238 3.960 0.001 0.000 0.272 5 G HA3 0.277 4.238 3.960 0.001 0.000 0.272 5 G C -2.363 171.891 174.900 -1.075 0.000 1.271 5 G CA -0.570 43.702 45.100 -1.379 0.000 0.893 5 G HN 0.564 nan 8.290 nan 0.000 0.485 6 Y N -0.083 119.958 120.300 -0.431 0.000 2.552 6 Y HA 0.751 5.302 4.550 0.001 0.000 0.337 6 Y C -0.817 175.307 175.900 0.374 0.000 1.094 6 Y CA 0.046 58.243 58.100 0.162 0.000 1.028 6 Y CB 1.790 40.368 38.460 0.196 0.000 1.321 6 Y HN 1.856 nan 8.280 nan 0.000 0.456 7 A N 5.362 127.860 122.820 -0.535 0.000 2.594 7 A HA 0.827 5.147 4.320 0.001 0.000 0.296 7 A C -1.840 175.555 177.584 -0.315 0.000 1.061 7 A CA -0.884 51.040 52.037 -0.188 0.000 0.689 7 A CB 1.664 20.716 19.000 0.086 0.000 1.280 7 A HN 0.961 nan 8.150 nan 0.000 0.406 8 R N 0.087 120.582 120.500 -0.009 0.000 2.651 8 R HA 0.899 5.240 4.340 0.001 0.000 0.278 8 R C -1.140 175.224 176.300 0.106 0.000 1.010 8 R CA -0.283 55.864 56.100 0.078 0.000 0.896 8 R CB 1.949 32.389 30.300 0.233 0.000 1.211 8 R HN 1.273 nan 8.270 nan 0.000 0.456 9 S N 0.705 116.453 115.700 0.081 0.000 2.556 9 S HA 0.765 5.236 4.470 0.001 0.000 0.280 9 S C -1.241 173.397 174.600 0.063 0.000 1.141 9 S CA 0.124 58.362 58.200 0.063 0.000 0.883 9 S CB 1.709 64.927 63.200 0.031 0.000 1.103 9 S HN 1.170 nan 8.310 nan 0.000 0.453 10 G N 1.928 110.759 108.800 0.050 0.000 2.561 10 G HA2 0.664 4.625 3.960 0.001 0.000 0.310 10 G HA3 0.664 4.625 3.960 0.001 0.000 0.310 10 G C -2.006 172.884 174.900 -0.017 0.000 1.292 10 G CA -0.321 44.813 45.100 0.056 0.000 0.811 10 G HN 1.067 nan 8.290 nan 0.000 0.482 11 I N -0.328 120.208 120.570 -0.057 0.000 2.686 11 I HA 0.786 4.957 4.170 0.001 0.000 0.295 11 I C -0.098 175.781 176.117 -0.397 0.000 1.114 11 I CA -0.537 60.599 61.300 -0.273 0.000 1.038 11 I CB 2.114 39.933 38.000 -0.301 0.000 1.238 11 I HN 1.023 nan 8.210 nan 0.000 0.420 12 G N 5.767 114.158 108.800 -0.682 0.000 2.692 12 G HA2 0.531 4.492 3.960 0.001 0.000 0.291 12 G HA3 0.531 4.492 3.960 0.001 0.000 0.291 12 G C -2.388 171.959 174.900 -0.922 0.000 1.423 12 G CA -0.484 44.276 45.100 -0.567 0.000 0.843 12 G HN 0.542 nan 8.290 nan 0.000 0.486 13 W N 0.124 121.095 121.300 -0.547 0.000 2.936 13 W HA 0.502 5.163 4.660 0.001 0.000 0.338 13 W C -0.685 175.389 176.519 -0.742 0.000 1.121 13 W CA -0.586 56.334 57.345 -0.708 0.000 1.209 13 W CB 2.578 31.378 29.460 -1.101 0.000 1.420 13 W HN 0.428 nan 8.180 nan 0.000 0.516 14 T N 1.438 115.844 114.554 -0.247 0.000 2.799 14 T HA 0.232 4.583 4.350 0.001 0.000 0.286 14 T C 1.288 175.781 174.700 -0.345 0.000 0.973 14 T CA 0.117 62.079 62.100 -0.230 0.000 1.035 14 T CB 1.705 70.522 68.868 -0.084 0.000 0.932 14 T HN 0.618 nan 8.240 nan 0.000 0.469 15 G N 2.366 110.755 108.800 -0.683 0.000 2.553 15 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 15 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 15 G C 1.785 176.556 174.900 -0.215 0.000 1.195 15 G CA 1.395 45.863 45.100 -1.053 0.000 0.779 15 G HN 0.779 nan 8.290 nan 0.000 0.577 16 S N -0.335 115.325 115.700 -0.066 0.000 2.555 16 S HA 0.415 4.886 4.470 0.001 0.000 0.230 16 S C 0.995 175.625 174.600 0.049 0.000 0.978 16 S CA 0.788 59.025 58.200 0.062 0.000 0.934 16 S CB -0.192 63.065 63.200 0.095 0.000 0.766 16 S HN 1.720 nan 8.310 nan 0.000 0.533 17 G N -1.209 107.599 108.800 0.013 0.000 2.326 17 G HA2 0.520 4.481 3.960 0.001 0.000 0.478 17 G HA3 0.520 4.481 3.960 0.001 0.000 0.478 17 G C -0.023 174.888 174.900 0.018 0.000 1.551 17 G CA -0.398 44.723 45.100 0.034 0.000 0.946 17 G HN 1.634 nan 8.290 nan 0.000 0.671 18 G N 0.273 109.094 108.800 0.035 0.000 2.782 18 G HA2 0.345 4.306 3.960 0.001 0.000 0.228 18 G HA3 0.345 4.306 3.960 0.001 0.000 0.228 18 G C 0.363 175.228 174.900 -0.058 0.000 1.372 18 G CA 0.902 46.004 45.100 0.003 0.000 0.862 18 G HN 2.293 nan 8.290 nan 0.000 0.547 19 E N 0.053 120.186 120.200 -0.111 0.000 2.438 19 E HA 0.232 4.583 4.350 0.001 0.000 0.261 19 E C 0.643 177.123 176.600 -0.199 0.000 1.103 19 E CA 0.207 56.482 56.400 -0.209 0.000 0.959 19 E CB 0.517 30.112 29.700 -0.176 0.000 0.958 19 E HN 0.778 nan 8.360 nan 0.000 0.447 20 Q N 1.062 120.710 119.800 -0.254 0.000 2.315 20 Q HA -0.083 4.258 4.340 0.001 0.000 0.289 20 Q C -0.692 175.199 176.000 -0.182 0.000 1.044 20 Q CA 0.551 56.240 55.803 -0.191 0.000 0.920 20 Q CB 0.656 29.305 28.738 -0.148 0.000 1.214 20 Q HN 0.504 nan 8.270 nan 0.000 0.392 21 Q N 1.664 121.334 119.800 -0.216 0.000 2.297 21 Q HA 0.495 4.836 4.340 0.001 0.000 0.268 21 Q C -1.267 174.311 176.000 -0.703 0.000 1.045 21 Q CA -0.825 54.775 55.803 -0.339 0.000 0.861 21 Q CB 2.195 30.797 28.738 -0.226 0.000 1.344 21 Q HN 0.686 nan 8.270 nan 0.000 0.452 22 c N 1.083 119.248 118.600 -0.725 0.000 2.562 22 c HA 0.672 5.242 4.570 0.001 0.000 0.332 22 c C -1.205 172.324 174.090 -0.935 0.000 1.201 22 c CA -0.684 55.134 56.329 -0.853 0.000 1.803 22 c CB 0.454 42.733 42.510 -0.384 0.000 2.328 22 c HN 0.660 nan 8.230 nan 0.000 0.500 23 F N 1.849 121.736 119.950 -0.105 0.000 2.445 23 F HA 0.586 5.114 4.527 0.001 0.000 0.348 23 F C 0.063 175.772 175.800 -0.152 0.000 1.125 23 F CA -0.453 57.433 58.000 -0.191 0.000 0.983 23 F CB 0.815 39.718 39.000 -0.162 0.000 1.198 23 F HN 0.501 nan 8.300 nan 0.000 0.436 24 Q N 1.506 121.272 119.800 -0.057 0.000 2.356 24 Q HA 0.481 4.822 4.340 0.001 0.000 0.270 24 Q C -0.884 175.024 176.000 -0.153 0.000 1.058 24 Q CA -0.660 55.098 55.803 -0.074 0.000 0.802 24 Q CB 2.139 30.814 28.738 -0.106 0.000 1.303 24 Q HN 0.650 nan 8.270 nan 0.000 0.444 25 T N 2.769 117.244 114.554 -0.131 0.000 2.870 25 T HA 0.098 4.449 4.350 0.001 0.000 0.300 25 T C -0.310 174.231 174.700 -0.265 0.000 0.989 25 T CA 0.105 62.092 62.100 -0.189 0.000 1.139 25 T CB 0.546 69.341 68.868 -0.122 0.000 0.920 25 T HN 0.556 nan 8.240 nan 0.000 0.537 26 T N 3.570 117.927 114.554 -0.328 0.000 2.829 26 T HA 0.381 4.732 4.350 0.001 0.000 0.293 26 T C 1.537 175.961 174.700 -0.460 0.000 0.970 26 T CA 0.784 62.659 62.100 -0.375 0.000 1.168 26 T CB 0.238 68.809 68.868 -0.494 0.000 0.911 26 T HN 0.957 nan 8.240 nan 0.000 0.535 27 G N 2.372 111.051 108.800 -0.201 0.000 2.254 27 G HA2 -0.098 3.863 3.960 0.001 0.000 0.225 27 G HA3 -0.098 3.863 3.960 0.001 0.000 0.225 27 G C 0.307 174.970 174.900 -0.395 0.000 1.003 27 G CA -0.163 44.900 45.100 -0.061 0.000 0.622 27 G HN 1.150 nan 8.290 nan 0.000 0.507 28 A N 0.249 122.709 122.820 -0.600 0.000 2.354 28 A HA 0.683 5.004 4.320 0.001 0.000 0.269 28 A C 0.925 177.919 177.584 -0.983 0.000 1.109 28 A CA 0.608 51.915 52.037 -1.218 0.000 0.800 28 A CB 0.422 19.005 19.000 -0.696 0.000 1.045 28 A HN 0.426 nan 8.150 nan 0.000 0.489 29 Q N 0.550 119.462 119.800 -1.479 0.000 2.322 29 Q HA 0.135 4.476 4.340 0.001 0.000 0.203 29 Q C 0.098 176.024 176.000 -0.122 0.000 0.923 29 Q CA 0.572 56.052 55.803 -0.538 0.000 0.949 29 Q CB -0.046 28.588 28.738 -0.173 0.000 1.039 29 Q HN 0.898 nan 8.270 nan 0.000 0.496 30 S N -0.597 115.024 115.700 -0.130 0.000 2.636 30 S HA 0.549 5.020 4.470 0.001 0.000 0.266 30 S C -1.539 173.065 174.600 0.007 0.000 1.147 30 S CA -1.208 57.019 58.200 0.046 0.000 0.815 30 S CB 1.498 64.798 63.200 0.167 0.000 1.119 30 S HN 0.182 nan 8.310 nan 0.000 0.470 31 K N -0.357 120.026 120.400 -0.028 0.000 2.480 31 K HA 0.608 4.929 4.320 0.001 0.000 0.258 31 K C -1.905 174.627 176.600 -0.114 0.000 0.990 31 K CA -1.000 55.287 56.287 0.000 0.000 0.857 31 K CB 0.896 33.410 32.500 0.023 0.000 1.384 31 K HN 0.543 nan 8.250 nan 0.000 0.446 32 Y N 2.212 122.572 120.300 0.100 0.000 2.436 32 Y HA 0.111 4.662 4.550 0.001 0.000 0.343 32 Y C 1.416 177.357 175.900 0.067 0.000 1.008 32 Y CA -0.220 57.938 58.100 0.097 0.000 1.241 32 Y CB 1.001 39.542 38.460 0.134 0.000 1.153 32 Y HN 0.597 nan 8.280 nan 0.000 0.521 33 R N 2.158 122.689 120.500 0.053 0.000 2.096 33 R HA -0.058 4.282 4.340 0.001 0.000 0.235 33 R C 0.372 176.689 176.300 0.029 0.000 1.127 33 R CA 0.466 56.582 56.100 0.026 0.000 0.968 33 R CB -0.174 30.117 30.300 -0.015 0.000 0.861 33 R HN 0.483 nan 8.270 nan 0.000 0.440 34 L N 2.764 124.034 121.223 0.079 0.000 2.628 34 L HA -0.025 4.316 4.340 0.001 0.000 0.274 34 L C 0.494 177.280 176.870 -0.139 0.000 1.209 34 L CA 1.252 56.105 54.840 0.021 0.000 0.930 34 L CB 0.227 42.349 42.059 0.106 0.000 1.183 34 L HN 0.771 nan 8.230 nan 0.000 0.492 35 G N 3.777 112.288 108.800 -0.483 0.000 2.305 35 G HA2 -0.338 3.623 3.960 0.001 0.000 0.287 35 G HA3 -0.338 3.623 3.960 0.001 0.000 0.287 35 G C 0.373 174.969 174.900 -0.506 0.000 1.036 35 G CA 0.752 45.100 45.100 -1.253 0.000 0.887 35 G HN 0.797 nan 8.290 nan 0.000 0.505 36 N N -0.246 118.299 118.700 -0.260 0.000 2.527 36 N HA 0.177 4.918 4.740 0.001 0.000 0.279 36 N C -0.552 174.889 175.510 -0.114 0.000 1.571 36 N CA -0.115 52.865 53.050 -0.117 0.000 0.858 36 N CB 0.631 39.130 38.487 0.020 0.000 1.422 36 N HN 0.559 nan 8.380 nan 0.000 0.491 37 E N -0.313 119.821 120.200 -0.109 0.000 2.199 37 E HA 0.368 4.719 4.350 0.001 0.000 0.265 37 E C -0.457 176.116 176.600 -0.045 0.000 0.882 37 E CA -0.536 55.832 56.400 -0.053 0.000 0.759 37 E CB 1.468 31.172 29.700 0.007 0.000 1.148 37 E HN 0.187 nan 8.360 nan 0.000 0.412 38 c N 3.396 121.962 118.600 -0.057 0.000 2.760 38 c HA 0.178 4.749 4.570 0.001 0.000 0.293 38 c C -0.024 174.049 174.090 -0.028 0.000 1.383 38 c CA -0.338 55.954 56.329 -0.062 0.000 1.771 38 c CB -1.148 41.294 42.510 -0.114 0.000 2.353 38 c HN 0.619 nan 8.230 nan 0.000 0.578 39 E N -0.841 119.369 120.200 0.017 0.000 2.446 39 E HA 0.339 4.690 4.350 0.001 0.000 0.276 39 E C -1.357 175.305 176.600 0.104 0.000 0.969 39 E CA -0.465 55.966 56.400 0.051 0.000 0.800 39 E CB 0.800 30.540 29.700 0.067 0.000 1.341 39 E HN -0.089 nan 8.360 nan 0.000 0.460 40 T N 1.721 116.343 114.554 0.113 0.000 2.733 40 T HA 0.357 4.708 4.350 0.001 0.000 0.294 40 T C -1.399 173.440 174.700 0.232 0.000 0.956 40 T CA -0.225 61.956 62.100 0.134 0.000 0.987 40 T CB -0.327 68.581 68.868 0.067 0.000 0.920 40 T HN 0.357 nan 8.240 nan 0.000 0.470 41 Y N 2.710 123.108 120.300 0.163 0.000 2.409 41 Y HA 0.669 5.220 4.550 0.001 0.000 0.343 41 Y C -0.853 175.223 175.900 0.292 0.000 0.973 41 Y CA -1.236 56.998 58.100 0.223 0.000 1.064 41 Y CB 1.260 39.870 38.460 0.250 0.000 1.207 41 Y HN 0.712 nan 8.280 nan 0.000 0.452 42 A N 5.058 127.593 122.820 -0.474 0.000 2.488 42 A HA 0.627 4.948 4.320 0.001 0.000 0.298 42 A C -1.675 175.792 177.584 -0.196 0.000 1.044 42 A CA -0.873 51.069 52.037 -0.158 0.000 0.693 42 A CB 1.309 20.342 19.000 0.056 0.000 1.272 42 A HN 0.758 nan 8.150 nan 0.000 0.402 43 E N 1.997 122.201 120.200 0.007 0.000 2.165 43 E HA 0.476 4.827 4.350 0.001 0.000 0.266 43 E C -1.249 175.438 176.600 0.144 0.000 0.889 43 E CA -0.448 55.980 56.400 0.047 0.000 0.756 43 E CB 1.881 31.625 29.700 0.073 0.000 1.131 43 E HN 0.559 nan 8.360 nan 0.000 0.411 44 L N 3.851 125.211 121.223 0.228 0.000 2.264 44 L HA 0.402 4.743 4.340 0.001 0.000 0.287 44 L C -0.141 176.859 176.870 0.218 0.000 1.039 44 L CA -0.553 54.502 54.840 0.359 0.000 0.829 44 L CB 0.489 42.824 42.059 0.459 0.000 1.211 44 L HN 0.288 nan 8.230 nan 0.000 0.427 45 K N 5.039 125.524 120.400 0.141 0.000 2.185 45 K HA 0.663 4.983 4.320 0.001 0.000 0.269 45 K C -0.940 175.772 176.600 0.187 0.000 0.987 45 K CA -0.463 55.857 56.287 0.055 0.000 0.865 45 K CB 2.127 34.589 32.500 -0.063 0.000 1.090 45 K HN 0.463 nan 8.250 nan 0.000 0.450 46 L N 2.473 123.758 121.223 0.104 0.000 2.342 46 L HA 0.510 4.851 4.340 0.001 0.000 0.276 46 L C 0.124 176.984 176.870 -0.015 0.000 0.997 46 L CA -0.601 54.309 54.840 0.116 0.000 0.838 46 L CB 1.843 43.971 42.059 0.116 0.000 1.224 46 L HN 0.800 nan 8.230 nan 0.000 0.416 47 G N 2.117 110.924 108.800 0.012 0.000 3.042 47 G HA2 0.740 4.701 3.960 0.001 0.000 0.278 47 G HA3 0.740 4.701 3.960 0.001 0.000 0.278 47 G C -1.809 173.035 174.900 -0.094 0.000 1.371 47 G CA -0.332 44.685 45.100 -0.138 0.000 1.009 47 G HN 0.432 nan 8.290 nan 0.000 0.523 48 Q N -0.852 118.703 119.800 -0.407 0.000 2.541 48 Q HA 0.216 4.557 4.340 0.001 0.000 0.259 48 Q C -1.601 174.207 176.000 -0.320 0.000 0.974 48 Q CA -0.573 55.117 55.803 -0.188 0.000 0.955 48 Q CB 2.168 30.916 28.738 0.017 0.000 1.517 48 Q HN 0.635 nan 8.270 nan 0.000 0.412 49 E N 2.610 122.876 120.200 0.110 0.000 2.166 49 E HA 0.164 4.514 4.350 0.001 0.000 0.279 49 E C 0.560 177.282 176.600 0.203 0.000 1.095 49 E CA -0.020 56.559 56.400 0.298 0.000 0.888 49 E CB 0.763 30.686 29.700 0.372 0.000 1.041 49 E HN 0.511 nan 8.360 nan 0.000 0.414 50 V N 2.557 122.604 119.914 0.222 0.000 3.506 50 V HA 0.285 4.406 4.120 0.001 0.000 0.263 50 V C 0.128 176.426 176.094 0.339 0.000 1.203 50 V CA -0.154 62.268 62.300 0.203 0.000 1.133 50 V CB -0.800 31.082 31.823 0.099 0.000 0.802 50 V HN 0.673 nan 8.190 nan 0.000 0.459 51 W N 0.285 121.684 121.300 0.165 0.000 3.707 51 W HA 0.625 5.286 4.660 0.002 0.000 0.294 51 W C -1.325 175.302 176.519 0.181 0.000 1.248 51 W CA -0.647 56.797 57.345 0.165 0.000 1.217 51 W CB 1.214 30.794 29.460 0.200 0.000 1.306 51 W HN -0.118 nan 8.180 nan 0.000 0.532 52 K N 4.139 124.410 120.400 -0.215 0.000 2.525 52 K HA 0.347 4.667 4.320 0.001 0.000 0.254 52 K C -1.484 174.654 176.600 -0.770 0.000 0.934 52 K CA -0.483 55.615 56.287 -0.315 0.000 0.802 52 K CB 2.097 34.544 32.500 -0.089 0.000 1.295 52 K HN 0.606 nan 8.250 nan 0.000 0.433 53 E N 2.669 122.438 120.200 -0.720 0.000 2.621 53 E HA 0.253 4.604 4.350 0.001 0.000 0.263 53 E C -0.092 176.373 176.600 -0.226 0.000 1.033 53 E CA -0.077 55.993 56.400 -0.550 0.000 0.778 53 E CB 1.457 30.732 29.700 -0.709 0.000 1.426 53 E HN 0.991 nan 8.360 nan 0.000 0.394 54 G N 3.702 112.409 108.800 -0.155 0.000 2.559 54 G HA2 -0.399 3.562 3.960 0.001 0.000 0.282 54 G HA3 -0.399 3.562 3.960 0.001 0.000 0.282 54 G C 0.658 175.526 174.900 -0.052 0.000 1.177 54 G CA 0.580 45.633 45.100 -0.078 0.000 0.960 54 G HN 0.549 nan 8.290 nan 0.000 0.540 55 D N 1.448 121.834 120.400 -0.024 0.000 2.277 55 D HA 0.184 4.825 4.640 0.001 0.000 0.208 55 D C 1.103 177.409 176.300 0.010 0.000 0.962 55 D CA 1.002 54.998 54.000 -0.008 0.000 0.865 55 D CB 0.052 40.851 40.800 -0.002 0.000 0.939 55 D HN 0.482 nan 8.370 nan 0.000 0.510 56 K N 0.040 120.464 120.400 0.040 0.000 2.201 56 K HA 0.484 4.804 4.320 0.001 0.000 0.278 56 K C -0.381 176.346 176.600 0.211 0.000 1.027 56 K CA -0.445 55.918 56.287 0.127 0.000 0.909 56 K CB 1.821 34.488 32.500 0.279 0.000 1.062 56 K HN -0.068 nan 8.250 nan 0.000 0.465 57 S N 1.334 117.133 115.700 0.165 0.000 2.618 57 S HA 0.647 5.118 4.470 0.001 0.000 0.277 57 S C -1.236 173.415 174.600 0.085 0.000 1.138 57 S CA -1.019 57.350 58.200 0.282 0.000 0.844 57 S CB 0.761 64.080 63.200 0.199 0.000 1.127 57 S HN 0.341 nan 8.310 nan 0.000 0.474 58 F N 1.275 121.432 119.950 0.346 0.000 2.507 58 F HA 0.550 5.078 4.527 0.002 0.000 0.328 58 F C -0.842 175.122 175.800 0.273 0.000 1.136 58 F CA -0.593 57.543 58.000 0.227 0.000 0.930 58 F CB 1.654 40.723 39.000 0.114 0.000 1.166 58 F HN 0.752 nan 8.300 nan 0.000 0.436 59 Y N 4.460 124.941 120.300 0.302 0.000 2.377 59 Y HA 0.563 5.114 4.550 0.002 0.000 0.339 59 Y C -1.513 174.560 175.900 0.290 0.000 1.011 59 Y CA -1.638 56.605 58.100 0.239 0.000 1.093 59 Y CB 1.282 39.819 38.460 0.127 0.000 1.201 59 Y HN 0.452 nan 8.280 nan 0.000 0.455 60 F N 5.888 125.521 119.950 -0.528 0.000 2.467 60 F HA 0.497 5.025 4.527 0.001 0.000 0.336 60 F C -1.412 174.155 175.800 -0.389 0.000 1.123 60 F CA -0.761 57.068 58.000 -0.284 0.000 0.964 60 F CB 1.007 39.893 39.000 -0.189 0.000 1.136 60 F HN 0.521 nan 8.300 nan 0.000 0.447 61 D N 3.271 123.224 120.400 -0.745 0.000 2.738 61 D HA 0.524 5.165 4.640 0.001 0.000 0.237 61 D C -0.936 174.901 176.300 -0.772 0.000 1.123 61 D CA -0.006 53.633 54.000 -0.602 0.000 0.856 61 D CB 2.225 42.942 40.800 -0.139 0.000 1.552 61 D HN 0.688 nan 8.370 nan 0.000 0.480 62 T N 0.255 114.445 114.554 -0.606 0.000 2.907 62 T HA 0.675 5.026 4.350 0.001 0.000 0.290 62 T C -0.822 173.634 174.700 -0.406 0.000 1.066 62 T CA -1.004 60.784 62.100 -0.520 0.000 1.012 62 T CB 1.433 70.098 68.868 -0.337 0.000 1.184 62 T HN 0.391 nan 8.240 nan 0.000 0.522 63 N N -0.049 118.368 118.700 -0.472 0.000 2.537 63 N HA 0.484 5.225 4.740 0.001 0.000 0.281 63 N C -2.134 173.197 175.510 -0.299 0.000 1.097 63 N CA -0.647 52.178 53.050 -0.375 0.000 0.964 63 N CB 1.864 40.001 38.487 -0.585 0.000 1.588 63 N HN 0.556 nan 8.380 nan 0.000 0.511 64 V N 2.187 122.048 119.914 -0.087 0.000 2.407 64 V HA 0.765 4.886 4.120 0.001 0.000 0.291 64 V C -0.090 175.936 176.094 -0.114 0.000 1.018 64 V CA -0.569 61.708 62.300 -0.039 0.000 0.842 64 V CB 1.037 32.916 31.823 0.094 0.000 0.996 64 V HN 0.770 nan 8.190 nan 0.000 0.426 65 A N 4.894 127.590 122.820 -0.207 0.000 2.312 65 A HA 0.911 5.232 4.320 0.001 0.000 0.328 65 A C -1.427 175.929 177.584 -0.381 0.000 1.158 65 A CA -0.381 51.544 52.037 -0.187 0.000 0.821 65 A CB 0.819 19.818 19.000 -0.002 0.000 1.170 65 A HN 0.726 nan 8.150 nan 0.000 0.490 66 Y N 0.142 120.379 120.300 -0.105 0.000 2.442 66 Y HA 0.626 5.177 4.550 0.001 0.000 0.344 66 Y C 0.372 176.282 175.900 0.018 0.000 0.976 66 Y CA -0.451 57.631 58.100 -0.031 0.000 1.040 66 Y CB 2.637 41.071 38.460 -0.043 0.000 1.228 66 Y HN 0.573 nan 8.280 nan 0.000 0.451 67 S N 2.987 118.836 115.700 0.250 0.000 2.733 67 S HA 0.778 5.248 4.470 0.001 0.000 0.294 67 S C -1.328 173.368 174.600 0.160 0.000 1.149 67 S CA -0.552 57.811 58.200 0.270 0.000 1.034 67 S CB 0.149 63.524 63.200 0.291 0.000 1.015 67 S HN 0.629 nan 8.310 nan 0.000 0.486 68 V N 2.317 122.305 119.914 0.124 0.000 3.102 68 V HA 0.937 5.058 4.120 0.001 0.000 0.312 68 V C 0.924 177.046 176.094 0.047 0.000 1.135 68 V CA -0.367 61.973 62.300 0.066 0.000 1.022 68 V CB 1.156 32.997 31.823 0.030 0.000 1.056 68 V HN 0.825 nan 8.190 nan 0.000 0.436 69 A N 0.754 123.586 122.820 0.021 0.000 2.119 69 A HA 0.104 4.425 4.320 0.001 0.000 0.216 69 A C 1.170 178.745 177.584 -0.014 0.000 1.152 69 A CA 1.044 53.083 52.037 0.002 0.000 0.708 69 A CB -0.819 18.177 19.000 -0.006 0.000 0.805 69 A HN 1.919 nan 8.150 nan 0.000 0.460 70 Q N -1.570 118.223 119.800 -0.012 0.000 2.459 70 Q HA -0.239 4.102 4.340 0.001 0.000 0.322 70 Q C -0.527 175.443 176.000 -0.050 0.000 1.427 70 Q CA 1.080 56.866 55.803 -0.028 0.000 0.861 70 Q CB -1.954 26.769 28.738 -0.025 0.000 1.137 70 Q HN 0.535 nan 8.270 nan 0.000 0.394 71 Q N -0.082 119.697 119.800 -0.036 0.000 2.157 71 Q HA 0.366 4.707 4.340 0.001 0.000 0.235 71 Q C -0.186 175.803 176.000 -0.018 0.000 0.803 71 Q CA 0.270 56.047 55.803 -0.043 0.000 0.967 71 Q CB 0.923 29.637 28.738 -0.039 0.000 1.150 71 Q HN 0.581 nan 8.270 nan 0.000 0.482 72 N N -0.142 118.558 118.700 -0.000 0.000 2.825 72 N HA 0.032 4.773 4.740 0.001 0.000 0.253 72 N C 0.024 175.553 175.510 0.031 0.000 1.426 72 N CA -0.235 52.832 53.050 0.028 0.000 0.851 72 N CB 1.808 40.332 38.487 0.062 0.000 1.470 72 N HN -0.154 nan 8.380 nan 0.000 0.517 73 D N -0.114 120.322 120.400 0.061 0.000 2.087 73 D HA -0.103 4.538 4.640 0.001 0.000 0.201 73 D C 0.149 176.496 176.300 0.078 0.000 0.980 73 D CA 0.975 55.011 54.000 0.060 0.000 0.849 73 D CB 0.015 40.864 40.800 0.082 0.000 1.001 73 D HN 0.428 nan 8.370 nan 0.000 0.452 74 W N 2.607 123.901 121.300 -0.011 0.000 2.585 74 W HA 0.276 4.937 4.660 0.002 0.000 0.337 74 W C -1.028 175.490 176.519 -0.001 0.000 1.226 74 W CA -0.047 57.294 57.345 -0.007 0.000 1.463 74 W CB -0.259 29.198 29.460 -0.006 0.000 1.458 74 W HN 0.108 nan 8.180 nan 0.000 0.458 75 E N 4.750 124.767 120.200 -0.306 0.000 2.331 75 E HA 0.391 4.742 4.350 0.001 0.000 0.243 75 E C -0.162 176.290 176.600 -0.247 0.000 0.925 75 E CA -0.492 55.827 56.400 -0.135 0.000 0.760 75 E CB 1.218 30.880 29.700 -0.064 0.000 1.254 75 E HN 0.406 nan 8.360 nan 0.000 0.419 76 A N 2.791 125.526 122.820 -0.142 0.000 2.445 76 A HA 0.470 4.791 4.320 0.001 0.000 0.242 76 A C 0.296 177.880 177.584 -0.001 0.000 1.075 76 A CA 0.260 52.256 52.037 -0.068 0.000 0.777 76 A CB 1.050 20.146 19.000 0.160 0.000 1.013 76 A HN 0.485 nan 8.150 nan 0.000 0.493 77 T N -0.015 114.549 114.554 0.017 0.000 2.739 77 T HA 0.466 4.817 4.350 0.001 0.000 0.303 77 T C -2.038 172.690 174.700 0.048 0.000 1.389 77 T CA -0.666 61.462 62.100 0.047 0.000 1.001 77 T CB 1.316 70.230 68.868 0.075 0.000 1.436 77 T HN 0.511 nan 8.240 nan 0.000 0.500 78 D N 3.322 123.740 120.400 0.031 0.000 2.441 78 D HA 0.442 5.082 4.640 0.001 0.000 0.231 78 D C -1.923 174.354 176.300 -0.039 0.000 1.073 78 D CA -0.994 53.009 54.000 0.004 0.000 0.850 78 D CB 1.507 42.308 40.800 0.002 0.000 1.062 78 D HN 0.373 nan 8.370 nan 0.000 0.524 79 P HA 0.271 nan 4.420 nan 0.000 0.272 79 P C -0.966 176.238 177.300 -0.160 0.000 1.223 79 P CA -0.565 62.346 63.100 -0.314 0.000 0.784 79 P CB 1.039 32.438 31.700 -0.502 0.000 0.923 80 A N 2.653 125.388 122.820 -0.142 0.000 2.260 80 A HA 0.363 4.684 4.320 0.001 0.000 0.314 80 A C -0.673 176.931 177.584 0.034 0.000 1.257 80 A CA -0.562 51.461 52.037 -0.023 0.000 0.871 80 A CB -0.210 18.793 19.000 0.006 0.000 1.166 80 A HN 0.477 nan 8.150 nan 0.000 0.522 81 F N 3.617 123.509 119.950 -0.096 0.000 2.509 81 F HA 0.281 4.809 4.527 0.002 0.000 0.350 81 F C 1.261 177.015 175.800 -0.077 0.000 1.220 81 F CA -0.577 57.368 58.000 -0.091 0.000 1.151 81 F CB 0.381 39.342 39.000 -0.066 0.000 1.379 81 F HN 0.736 nan 8.300 nan 0.000 0.610 82 R N 2.355 122.691 120.500 -0.274 0.000 2.210 82 R HA 0.136 4.477 4.340 0.001 0.000 0.203 82 R C -0.294 175.733 176.300 -0.456 0.000 1.010 82 R CA 0.574 56.519 56.100 -0.260 0.000 1.008 82 R CB 0.208 30.460 30.300 -0.080 0.000 0.923 82 R HN 0.505 nan 8.270 nan 0.000 0.469 83 E N -0.285 119.473 120.200 -0.736 0.000 2.308 83 E HA 0.578 4.929 4.350 0.001 0.000 0.275 83 E C -1.597 174.567 176.600 -0.727 0.000 0.890 83 E CA -0.710 55.300 56.400 -0.650 0.000 0.754 83 E CB 2.466 31.755 29.700 -0.685 0.000 1.207 83 E HN 0.115 nan 8.360 nan 0.000 0.426 84 A N 3.098 125.664 122.820 -0.424 0.000 2.686 84 A HA 0.413 4.733 4.320 0.001 0.000 0.299 84 A C -1.245 176.328 177.584 -0.018 0.000 1.151 84 A CA -0.816 51.092 52.037 -0.214 0.000 0.851 84 A CB -0.156 18.865 19.000 0.035 0.000 1.448 84 A HN 0.719 nan 8.150 nan 0.000 0.404 85 N N -0.659 118.018 118.700 -0.038 0.000 2.525 85 N HA 0.736 5.477 4.740 0.001 0.000 0.270 85 N C -1.532 174.109 175.510 0.219 0.000 1.321 85 N CA -0.851 52.276 53.050 0.127 0.000 0.797 85 N CB 2.159 40.717 38.487 0.118 0.000 1.529 85 N HN 0.144 nan 8.380 nan 0.000 0.491 86 V N 0.600 120.688 119.914 0.291 0.000 2.483 86 V HA 0.389 4.509 4.120 0.001 0.000 0.297 86 V C -0.945 175.355 176.094 0.343 0.000 1.027 86 V CA -0.513 61.988 62.300 0.335 0.000 0.855 86 V CB 1.272 33.276 31.823 0.301 0.000 0.995 86 V HN 0.685 nan 8.190 nan 0.000 0.424 87 Q N 2.829 122.830 119.800 0.335 0.000 2.325 87 Q HA 0.633 4.974 4.340 0.001 0.000 0.262 87 Q C 0.244 176.351 176.000 0.179 0.000 0.968 87 Q CA -0.390 55.577 55.803 0.273 0.000 0.877 87 Q CB 2.194 31.051 28.738 0.197 0.000 1.253 87 Q HN 0.892 nan 8.270 nan 0.000 0.448 88 G N 3.355 112.176 108.800 0.035 0.000 2.468 88 G HA2 0.298 4.259 3.960 0.001 0.000 0.320 88 G HA3 0.298 4.259 3.960 0.001 0.000 0.320 88 G C -0.517 174.245 174.900 -0.230 0.000 1.137 88 G CA -0.662 44.221 45.100 -0.361 0.000 0.984 88 G HN 0.363 nan 8.290 nan 0.000 0.462 89 K N 2.287 122.581 120.400 -0.177 0.000 2.143 89 K HA 0.295 4.616 4.320 0.001 0.000 0.272 89 K C 0.006 176.545 176.600 -0.102 0.000 1.001 89 K CA -0.948 55.281 56.287 -0.097 0.000 0.915 89 K CB 1.258 33.728 32.500 -0.050 0.000 1.047 89 K HN 0.392 nan 8.250 nan 0.000 0.458 90 N N 0.818 119.471 118.700 -0.078 0.000 2.741 90 N HA -0.160 4.581 4.740 0.001 0.000 0.250 90 N C 0.277 175.737 175.510 -0.084 0.000 1.115 90 N CA 0.372 53.383 53.050 -0.064 0.000 0.724 90 N CB -0.818 37.649 38.487 -0.032 0.000 1.090 90 N HN 0.409 nan 8.380 nan 0.000 0.558 91 L N 0.294 121.435 121.223 -0.137 0.000 2.313 91 L HA 0.208 4.548 4.340 0.001 0.000 0.214 91 L C 1.139 177.908 176.870 -0.169 0.000 1.119 91 L CA 1.040 55.787 54.840 -0.154 0.000 0.809 91 L CB 0.050 41.972 42.059 -0.228 0.000 0.933 91 L HN 0.234 nan 8.230 nan 0.000 0.449 92 I N -0.334 120.110 120.570 -0.211 0.000 2.306 92 I HA 0.076 4.247 4.170 0.001 0.000 0.288 92 I C 1.107 177.057 176.117 -0.277 0.000 1.036 92 I CA -0.243 60.842 61.300 -0.358 0.000 1.221 92 I CB 1.083 38.777 38.000 -0.510 0.000 1.385 92 I HN 0.157 nan 8.210 nan 0.000 0.472 93 E N 4.755 124.827 120.200 -0.214 0.000 2.049 93 E HA -0.264 4.087 4.350 0.001 0.000 0.198 93 E C 1.569 178.196 176.600 0.045 0.000 1.007 93 E CA 2.072 58.438 56.400 -0.057 0.000 0.809 93 E CB -0.159 29.538 29.700 -0.004 0.000 0.749 93 E HN 0.884 nan 8.360 nan 0.000 0.450 94 W N 1.123 122.431 121.300 0.013 0.000 2.468 94 W HA 0.006 4.666 4.660 0.001 0.000 0.262 94 W C 0.415 176.941 176.519 0.011 0.000 1.241 94 W CA 0.510 57.863 57.345 0.012 0.000 1.232 94 W CB -0.310 29.158 29.460 0.013 0.000 1.124 94 W HN -0.141 nan 8.180 nan 0.000 0.597 95 L N 3.696 125.016 121.223 0.162 0.000 2.556 95 L HA 0.347 4.688 4.340 0.001 0.000 0.243 95 L C -2.029 174.863 176.870 0.035 0.000 1.331 95 L CA -1.997 52.934 54.840 0.151 0.000 0.927 95 L CB 0.675 42.834 42.059 0.166 0.000 1.219 95 L HN -0.374 nan 8.230 nan 0.000 0.490 96 P HA 0.057 nan 4.420 nan 0.000 0.268 96 P C 0.913 178.216 177.300 0.004 0.000 1.205 96 P CA 0.887 63.995 63.100 0.012 0.000 0.771 96 P CB 1.410 33.124 31.700 0.024 0.000 0.858 97 G N 1.782 110.576 108.800 -0.011 0.000 2.205 97 G HA2 -0.258 3.703 3.960 0.001 0.000 0.261 97 G HA3 -0.258 3.703 3.960 0.001 0.000 0.261 97 G C 0.337 175.228 174.900 -0.015 0.000 0.980 97 G CA 0.438 45.528 45.100 -0.016 0.000 0.632 97 G HN 0.923 nan 8.290 nan 0.000 0.533 98 S N -0.153 115.541 115.700 -0.009 0.000 2.601 98 S HA 0.701 5.172 4.470 0.001 0.000 0.271 98 S C 0.004 174.605 174.600 0.002 0.000 1.305 98 S CA 0.581 58.785 58.200 0.007 0.000 1.022 98 S CB 2.053 65.267 63.200 0.023 0.000 0.940 98 S HN 0.557 nan 8.310 nan 0.000 0.525 99 T N 2.988 117.569 114.554 0.045 0.000 2.823 99 T HA 0.545 4.896 4.350 0.001 0.000 0.279 99 T C 0.003 174.794 174.700 0.152 0.000 0.998 99 T CA -0.678 61.465 62.100 0.072 0.000 0.994 99 T CB 0.601 69.522 68.868 0.088 0.000 0.960 99 T HN 0.733 nan 8.240 nan 0.000 0.448 100 I N 1.175 121.809 120.570 0.108 0.000 2.354 100 I HA 0.773 4.944 4.170 0.001 0.000 0.292 100 I C -0.611 175.639 176.117 0.222 0.000 0.989 100 I CA -0.950 60.410 61.300 0.100 0.000 1.188 100 I CB 1.177 39.175 38.000 -0.003 0.000 1.342 100 I HN 0.666 nan 8.210 nan 0.000 0.457 101 W N 4.667 125.982 121.300 0.025 0.000 2.962 101 W HA 0.911 5.572 4.660 0.001 0.000 0.341 101 W C -1.602 174.931 176.519 0.023 0.000 1.155 101 W CA -1.560 55.810 57.345 0.042 0.000 1.165 101 W CB 1.440 30.932 29.460 0.052 0.000 1.435 101 W HN 0.792 nan 8.180 nan 0.000 0.546 102 A N 1.449 124.419 122.820 0.249 0.000 2.566 102 A HA 0.864 5.185 4.320 0.001 0.000 0.297 102 A C -0.268 177.445 177.584 0.215 0.000 1.059 102 A CA 0.048 52.110 52.037 0.042 0.000 0.691 102 A CB 1.058 20.033 19.000 -0.041 0.000 1.282 102 A HN 2.190 nan 8.150 nan 0.000 0.401 103 G N 0.405 109.312 108.800 0.178 0.000 2.334 103 G HA2 0.325 4.286 3.960 0.001 0.000 0.315 103 G HA3 0.325 4.286 3.960 0.001 0.000 0.315 103 G C -0.941 174.067 174.900 0.180 0.000 1.284 103 G CA -0.508 44.690 45.100 0.163 0.000 0.985 103 G HN 0.867 nan 8.290 nan 0.000 0.504 104 K N 0.222 120.670 120.400 0.081 0.000 2.258 104 K HA 0.649 4.970 4.320 0.001 0.000 0.284 104 K C 0.259 176.837 176.600 -0.036 0.000 1.051 104 K CA -0.321 55.978 56.287 0.021 0.000 0.923 104 K CB 0.737 33.202 32.500 -0.059 0.000 1.046 104 K HN 0.728 nan 8.250 nan 0.000 0.474 105 R N 3.843 124.339 120.500 -0.007 0.000 2.604 105 R HA 0.257 4.598 4.340 0.001 0.000 0.270 105 R C -1.422 174.885 176.300 0.012 0.000 1.052 105 R CA -0.676 55.357 56.100 -0.112 0.000 0.902 105 R CB 0.610 30.774 30.300 -0.226 0.000 1.233 105 R HN 0.332 nan 8.270 nan 0.000 0.455 106 F N 4.108 123.937 119.950 -0.201 0.000 2.494 106 F HA 0.170 4.698 4.527 0.001 0.000 0.351 106 F C -0.223 175.452 175.800 -0.207 0.000 1.205 106 F CA -0.490 57.392 58.000 -0.196 0.000 1.125 106 F CB -0.175 38.695 39.000 -0.218 0.000 1.268 106 F HN 0.361 nan 8.300 nan 0.000 0.593 107 Y N 3.898 124.097 120.300 -0.169 0.000 2.425 107 Y HA 0.219 4.770 4.550 0.002 0.000 0.347 107 Y C 0.708 176.440 175.900 -0.280 0.000 0.976 107 Y CA -0.766 57.156 58.100 -0.297 0.000 1.190 107 Y CB 0.317 38.611 38.460 -0.276 0.000 1.136 107 Y HN 0.632 nan 8.280 nan 0.000 0.517 108 Q N 4.971 124.358 119.800 -0.688 0.000 2.413 108 Q HA -0.288 4.053 4.340 0.001 0.000 0.364 108 Q C -0.492 175.271 176.000 -0.394 0.000 1.359 108 Q CA 0.671 56.086 55.803 -0.646 0.000 1.097 108 Q CB -0.990 27.194 28.738 -0.923 0.000 1.286 108 Q HN 0.677 nan 8.270 nan 0.000 0.358 109 R N 0.966 121.303 120.500 -0.271 0.000 2.390 109 R HA 0.366 4.707 4.340 0.001 0.000 0.291 109 R C -0.484 175.728 176.300 -0.147 0.000 1.070 109 R CA -0.376 55.636 56.100 -0.146 0.000 1.014 109 R CB 0.926 31.182 30.300 -0.075 0.000 1.007 109 R HN 0.274 nan 8.270 nan 0.000 0.466 110 H N 1.985 120.817 119.070 -0.397 0.000 2.459 110 H HA 0.230 4.787 4.556 0.002 0.000 0.332 110 H C -0.559 174.185 175.328 -0.974 0.000 1.094 110 H CA -0.737 54.953 56.048 -0.597 0.000 1.224 110 H CB 1.809 31.202 29.762 -0.615 0.000 1.449 110 H HN 0.754 nan 8.280 nan 0.000 0.484 111 D N 1.365 121.332 120.400 -0.723 0.000 2.610 111 D HA 0.238 4.878 4.640 0.001 0.000 0.271 111 D C -1.038 175.101 176.300 -0.268 0.000 1.174 111 D CA -0.757 52.762 54.000 -0.801 0.000 0.949 111 D CB 1.759 41.684 40.800 -1.458 0.000 1.430 111 D HN 0.185 nan 8.370 nan 0.000 0.467 112 V N 1.403 121.206 119.914 -0.185 0.000 2.350 112 V HA 0.115 4.236 4.120 0.001 0.000 0.285 112 V C 1.124 177.213 176.094 -0.008 0.000 1.014 112 V CA -0.515 61.718 62.300 -0.112 0.000 0.831 112 V CB 0.702 32.432 31.823 -0.155 0.000 1.000 112 V HN 0.776 nan 8.190 nan 0.000 0.433 113 H N 5.760 124.882 119.070 0.088 0.000 2.290 113 H HA -0.227 4.330 4.556 0.002 0.000 0.298 113 H C 2.105 177.481 175.328 0.080 0.000 1.087 113 H CA 3.005 59.118 56.048 0.109 0.000 1.291 113 H CB 0.145 30.084 29.762 0.294 0.000 1.369 113 H HN 0.689 nan 8.280 nan 0.000 0.492 114 M N 0.220 119.868 119.600 0.080 0.000 2.346 114 M HA -0.056 4.424 4.480 0.001 0.000 0.263 114 M C 1.570 177.802 176.300 -0.113 0.000 1.064 114 M CA 2.073 57.392 55.300 0.031 0.000 1.083 114 M CB -0.374 32.334 32.600 0.180 0.000 1.399 114 M HN 0.495 nan 8.290 nan 0.000 0.435 115 I N -3.097 117.369 120.570 -0.174 0.000 4.018 115 I HA 0.319 4.490 4.170 0.001 0.000 0.337 115 I C -0.085 175.976 176.117 -0.094 0.000 1.327 115 I CA -0.258 60.888 61.300 -0.257 0.000 1.100 115 I CB -0.191 37.584 38.000 -0.376 0.000 1.025 115 I HN 0.114 nan 8.210 nan 0.000 0.396 116 D N 2.137 122.465 120.400 -0.121 0.000 2.689 116 D HA -0.294 4.347 4.640 0.001 0.000 0.237 116 D C -0.798 175.529 176.300 0.044 0.000 1.148 116 D CA 0.715 54.655 54.000 -0.100 0.000 0.656 116 D CB -1.166 39.575 40.800 -0.098 0.000 1.050 116 D HN 0.498 nan 8.370 nan 0.000 0.426 117 F N 1.599 121.466 119.950 -0.138 0.000 2.426 117 F HA 0.484 5.012 4.527 0.001 0.000 0.348 117 F C -1.009 174.722 175.800 -0.116 0.000 1.124 117 F CA -0.985 56.997 58.000 -0.031 0.000 1.008 117 F CB 0.717 39.716 39.000 -0.003 0.000 1.139 117 F HN -0.113 nan 8.300 nan 0.000 0.452 118 Y N 6.637 126.554 120.300 -0.639 0.000 2.341 118 Y HA 0.183 4.734 4.550 0.002 0.000 0.340 118 Y C 0.310 175.753 175.900 -0.761 0.000 0.997 118 Y CA -0.316 57.429 58.100 -0.591 0.000 1.149 118 Y CB 0.599 38.787 38.460 -0.452 0.000 1.171 118 Y HN 0.648 nan 8.280 nan 0.000 0.494 119 Y N -0.362 119.702 120.300 -0.394 0.000 2.449 119 Y HA 0.284 4.835 4.550 0.001 0.000 0.254 119 Y C -0.273 175.640 175.900 0.022 0.000 1.140 119 Y CA -0.921 57.024 58.100 -0.259 0.000 1.272 119 Y CB 0.469 38.878 38.460 -0.086 0.000 1.114 119 Y HN 0.471 nan 8.280 nan 0.000 0.525 120 W N 2.881 123.986 121.300 -0.326 0.000 2.642 120 W HA 0.456 5.116 4.660 0.001 0.000 0.304 120 W C -2.054 174.365 176.519 -0.168 0.000 1.023 120 W CA -1.684 55.528 57.345 -0.221 0.000 1.290 120 W CB 1.172 30.407 29.460 -0.374 0.000 1.190 120 W HN 0.057 nan 8.180 nan 0.000 0.374 121 D N 5.273 125.722 120.400 0.082 0.000 2.323 121 D HA 0.207 4.848 4.640 0.001 0.000 0.242 121 D C 0.164 176.431 176.300 -0.055 0.000 1.347 121 D CA -0.226 53.733 54.000 -0.068 0.000 0.988 121 D CB 0.461 41.176 40.800 -0.142 0.000 1.314 121 D HN 0.374 nan 8.370 nan 0.000 0.564 122 I N 0.123 120.667 120.570 -0.042 0.000 3.884 122 I HA 0.362 4.533 4.170 0.001 0.000 0.330 122 I C 0.074 176.170 176.117 -0.036 0.000 1.451 122 I CA -0.515 60.769 61.300 -0.027 0.000 1.165 122 I CB 0.250 38.253 38.000 0.004 0.000 1.097 122 I HN -0.059 nan 8.210 nan 0.000 0.404 123 S N 1.675 117.342 115.700 -0.055 0.000 2.569 123 S HA 0.651 5.122 4.470 0.001 0.000 0.274 123 S C 0.605 175.201 174.600 -0.006 0.000 1.353 123 S CA 0.288 58.484 58.200 -0.007 0.000 1.023 123 S CB 0.861 64.050 63.200 -0.017 0.000 0.876 123 S HN 0.863 nan 8.310 nan 0.000 0.540 124 G N 0.802 109.625 108.800 0.039 0.000 2.350 124 G HA2 0.264 4.225 3.960 0.001 0.000 0.282 124 G HA3 0.264 4.225 3.960 0.001 0.000 0.282 124 G C -3.630 171.294 174.900 0.039 0.000 1.314 124 G CA -1.143 43.968 45.100 0.018 0.000 0.915 124 G HN 0.491 nan 8.290 nan 0.000 0.499 125 P HA 0.493 nan 4.420 nan 0.000 0.266 125 P C 0.533 177.845 177.300 0.019 0.000 1.195 125 P CA 1.296 64.411 63.100 0.025 0.000 0.768 125 P CB 1.251 32.946 31.700 -0.008 0.000 0.838 126 G N 0.269 109.092 108.800 0.038 0.000 2.427 126 G HA2 0.679 4.639 3.960 0.001 0.000 0.306 126 G HA3 0.679 4.639 3.960 0.001 0.000 0.306 126 G C -2.135 172.522 174.900 -0.406 0.000 1.280 126 G CA -0.013 45.025 45.100 -0.102 0.000 0.837 126 G HN 0.584 nan 8.290 nan 0.000 0.482 127 A N -1.901 120.371 122.820 -0.912 0.000 2.599 127 A HA 1.063 5.384 4.320 0.001 0.000 0.294 127 A C -0.232 176.483 177.584 -1.449 0.000 1.055 127 A CA 0.470 51.724 52.037 -1.305 0.000 0.683 127 A CB 1.408 20.053 19.000 -0.592 0.000 1.278 127 A HN 2.565 nan 8.150 nan 0.000 0.412 128 G N -1.004 106.833 108.800 -1.604 0.000 2.506 128 G HA2 0.645 4.606 3.960 0.001 0.000 0.292 128 G HA3 0.645 4.606 3.960 0.001 0.000 0.292 128 G C -2.381 172.320 174.900 -0.332 0.000 1.425 128 G CA -0.388 44.263 45.100 -0.750 0.000 0.788 128 G HN 1.769 nan 8.290 nan 0.000 0.490 129 L N 0.680 121.904 121.223 0.001 0.000 2.345 129 L HA 0.693 5.034 4.340 0.001 0.000 0.274 129 L C -0.103 176.890 176.870 0.205 0.000 0.999 129 L CA -0.745 54.151 54.840 0.093 0.000 0.849 129 L CB 1.250 43.343 42.059 0.057 0.000 1.220 129 L HN 0.670 nan 8.230 nan 0.000 0.422 130 E N 3.024 123.385 120.200 0.269 0.000 2.222 130 E HA 0.343 4.694 4.350 0.001 0.000 0.272 130 E C -0.245 176.424 176.600 0.115 0.000 0.982 130 E CA -0.613 55.934 56.400 0.246 0.000 0.842 130 E CB 0.809 30.685 29.700 0.294 0.000 1.144 130 E HN 0.691 nan 8.360 nan 0.000 0.397 131 N N 1.722 120.464 118.700 0.070 0.000 2.688 131 N HA -0.210 4.531 4.740 0.001 0.000 0.258 131 N C -1.154 174.367 175.510 0.019 0.000 1.016 131 N CA 0.416 53.477 53.050 0.018 0.000 0.747 131 N CB -1.093 37.383 38.487 -0.018 0.000 0.895 131 N HN 0.396 nan 8.380 nan 0.000 0.543 132 I N -0.079 120.509 120.570 0.031 0.000 2.371 132 I HA 0.066 4.236 4.170 0.001 0.000 0.290 132 I C 0.667 176.778 176.117 -0.010 0.000 1.028 132 I CA -0.389 60.929 61.300 0.031 0.000 1.345 132 I CB 0.674 38.708 38.000 0.056 0.000 1.407 132 I HN 0.179 nan 8.210 nan 0.000 0.501 133 D N 6.340 126.733 120.400 -0.010 0.000 2.338 133 D HA 0.084 4.725 4.640 0.001 0.000 0.255 133 D C 0.524 176.782 176.300 -0.071 0.000 1.237 133 D CA 0.061 54.034 54.000 -0.045 0.000 0.883 133 D CB 1.309 42.097 40.800 -0.018 0.000 1.087 133 D HN 0.222 nan 8.370 nan 0.000 0.485 134 V N 3.354 123.158 119.914 -0.183 0.000 3.596 134 V HA 0.261 4.382 4.120 0.001 0.000 0.289 134 V C 1.788 177.709 176.094 -0.287 0.000 1.336 134 V CA 0.453 62.594 62.300 -0.265 0.000 1.137 134 V CB -0.165 31.372 31.823 -0.477 0.000 0.966 134 V HN 0.857 nan 8.190 nan 0.000 0.428 135 G N 2.050 110.754 108.800 -0.161 0.000 4.890 135 G HA2 -0.401 3.560 3.960 0.001 0.000 0.221 135 G HA3 -0.401 3.560 3.960 0.001 0.000 0.221 135 G C 0.683 175.594 174.900 0.019 0.000 1.472 135 G CA 0.631 45.726 45.100 -0.008 0.000 0.962 135 G HN 0.603 nan 8.290 nan 0.000 0.671 136 F N 1.861 121.833 119.950 0.037 0.000 2.710 136 F HA 0.569 5.097 4.527 0.001 0.000 0.298 136 F C 1.208 177.033 175.800 0.042 0.000 1.137 136 F CA 0.346 58.368 58.000 0.038 0.000 1.444 136 F CB -0.441 38.582 39.000 0.040 0.000 1.111 136 F HN 0.939 nan 8.300 nan 0.000 0.580 137 G N -0.078 108.476 108.800 -0.410 0.000 2.488 137 G HA2 0.424 4.385 3.960 0.001 0.000 0.301 137 G HA3 0.424 4.385 3.960 0.001 0.000 0.301 137 G C -1.759 172.991 174.900 -0.250 0.000 1.339 137 G CA -1.262 43.701 45.100 -0.229 0.000 0.803 137 G HN -0.103 nan 8.290 nan 0.000 0.482 138 K N 0.276 120.600 120.400 -0.127 0.000 2.235 138 K HA 0.540 4.861 4.320 0.001 0.000 0.266 138 K C -1.123 175.451 176.600 -0.044 0.000 0.980 138 K CA -0.699 55.538 56.287 -0.084 0.000 0.849 138 K CB 2.302 34.772 32.500 -0.051 0.000 1.098 138 K HN 0.381 nan 8.250 nan 0.000 0.445 139 L N 1.534 122.740 121.223 -0.028 0.000 2.282 139 L HA 0.354 4.695 4.340 0.001 0.000 0.288 139 L C -0.682 176.236 176.870 0.080 0.000 1.033 139 L CA 0.226 55.085 54.840 0.032 0.000 0.807 139 L CB 1.489 43.563 42.059 0.026 0.000 1.209 139 L HN 0.470 nan 8.230 nan 0.000 0.423 140 S N 5.658 121.433 115.700 0.126 0.000 2.500 140 S HA 0.736 5.207 4.470 0.001 0.000 0.301 140 S C -0.849 173.881 174.600 0.216 0.000 1.092 140 S CA -0.577 57.734 58.200 0.184 0.000 1.030 140 S CB 1.429 64.755 63.200 0.211 0.000 1.031 140 S HN 0.540 nan 8.310 nan 0.000 0.483 141 L N 2.392 123.739 121.223 0.207 0.000 2.356 141 L HA 0.882 5.223 4.340 0.001 0.000 0.277 141 L C -0.258 176.676 176.870 0.106 0.000 0.996 141 L CA -0.591 54.344 54.840 0.158 0.000 0.822 141 L CB 1.629 43.755 42.059 0.113 0.000 1.256 141 L HN 0.767 nan 8.230 nan 0.000 0.413 142 A N 2.720 125.569 122.820 0.047 0.000 2.549 142 A HA 0.937 5.258 4.320 0.001 0.000 0.297 142 A C -1.297 176.226 177.584 -0.102 0.000 1.061 142 A CA -0.493 51.470 52.037 -0.124 0.000 0.690 142 A CB 2.014 20.804 19.000 -0.351 0.000 1.287 142 A HN 0.729 nan 8.150 nan 0.000 0.402 143 A N 1.233 123.938 122.820 -0.191 0.000 2.332 143 A HA 0.828 5.149 4.320 0.001 0.000 0.300 143 A C 0.036 177.465 177.584 -0.258 0.000 1.153 143 A CA 0.183 52.101 52.037 -0.199 0.000 0.764 143 A CB 0.658 19.616 19.000 -0.070 0.000 1.174 143 A HN 1.893 nan 8.150 nan 0.000 0.467 144 T N -0.364 114.025 114.554 -0.275 0.000 2.883 144 T HA 0.869 5.220 4.350 0.001 0.000 0.284 144 T C -0.265 174.299 174.700 -0.227 0.000 1.041 144 T CA -0.839 61.146 62.100 -0.192 0.000 1.007 144 T CB 1.611 70.412 68.868 -0.111 0.000 1.220 144 T HN 0.962 nan 8.240 nan 0.000 0.552 145 R N -0.155 120.253 120.500 -0.154 0.000 2.771 145 R HA 0.746 5.086 4.340 0.001 0.000 0.274 145 R C -1.204 175.028 176.300 -0.112 0.000 0.987 145 R CA -0.188 55.822 56.100 -0.150 0.000 0.908 145 R CB 1.954 32.181 30.300 -0.123 0.000 1.213 145 R HN 1.142 nan 8.270 nan 0.000 0.468 146 S N 0.698 116.329 115.700 -0.116 0.000 2.671 146 S HA 0.800 5.271 4.470 0.001 0.000 0.277 146 S C -1.275 173.274 174.600 -0.085 0.000 1.165 146 S CA -0.417 57.728 58.200 -0.091 0.000 0.822 146 S CB 1.524 64.668 63.200 -0.094 0.000 1.150 146 S HN 1.089 nan 8.310 nan 0.000 0.479 147 S N -0.422 115.237 115.700 -0.069 0.000 2.533 147 S HA 0.564 5.035 4.470 0.001 0.000 0.271 147 S C -1.419 173.153 174.600 -0.046 0.000 1.143 147 S CA -0.826 57.338 58.200 -0.060 0.000 0.891 147 S CB 1.305 64.469 63.200 -0.059 0.000 1.105 147 S HN 0.781 nan 8.310 nan 0.000 0.468 148 E N 1.237 121.417 120.200 -0.033 0.000 2.349 148 E HA 0.535 4.886 4.350 0.001 0.000 0.265 148 E C 1.315 177.913 176.600 -0.003 0.000 1.064 148 E CA -0.246 56.149 56.400 -0.009 0.000 0.886 148 E CB 1.057 30.762 29.700 0.009 0.000 1.036 148 E HN 0.786 nan 8.360 nan 0.000 0.413 149 A N 2.642 125.464 122.820 0.003 0.000 1.940 149 A HA -0.055 4.266 4.320 0.001 0.000 0.219 149 A C 1.087 178.605 177.584 -0.110 0.000 1.176 149 A CA 1.931 53.925 52.037 -0.072 0.000 0.631 149 A CB -0.366 18.565 19.000 -0.116 0.000 0.814 149 A HN 0.670 nan 8.150 nan 0.000 0.446 150 G N -5.034 103.823 108.800 0.094 0.000 3.107 150 G HA2 0.524 4.485 3.960 0.001 0.000 0.233 150 G HA3 0.524 4.485 3.960 0.001 0.000 0.233 150 G C 0.738 175.799 174.900 0.268 0.000 1.168 150 G CA 0.356 45.573 45.100 0.196 0.000 0.801 150 G HN 1.481 nan 8.290 nan 0.000 0.605 151 G N -1.560 107.435 108.800 0.325 0.000 2.218 151 G HA2 -0.081 3.880 3.960 0.001 0.000 0.216 151 G HA3 -0.081 3.880 3.960 0.001 0.000 0.216 151 G C 0.312 175.359 174.900 0.245 0.000 0.994 151 G CA 0.731 45.960 45.100 0.214 0.000 0.637 151 G HN 1.308 nan 8.290 nan 0.000 0.505 152 S N -0.283 115.536 115.700 0.198 0.000 2.532 152 S HA 0.777 5.248 4.470 0.001 0.000 0.301 152 S C -0.326 174.213 174.600 -0.100 0.000 1.083 152 S CA 0.035 58.330 58.200 0.158 0.000 1.025 152 S CB 1.993 65.339 63.200 0.245 0.000 1.056 152 S HN 0.603 nan 8.310 nan 0.000 0.494 153 S N 1.072 116.508 115.700 -0.439 0.000 2.473 153 S HA 0.326 4.797 4.470 0.001 0.000 0.307 153 S C 1.219 175.272 174.600 -0.912 0.000 1.094 153 S CA -0.633 57.007 58.200 -0.934 0.000 1.070 153 S CB 0.990 63.176 63.200 -1.690 0.000 1.019 153 S HN 0.795 nan 8.310 nan 0.000 0.480 154 S N 3.679 118.772 115.700 -1.012 0.000 2.442 154 S HA 0.062 4.533 4.470 0.001 0.000 0.236 154 S C 0.366 174.631 174.600 -0.558 0.000 1.007 154 S CA 0.552 58.100 58.200 -1.086 0.000 0.965 154 S CB -0.672 62.239 63.200 -0.481 0.000 0.773 154 S HN 0.747 nan 8.310 nan 0.000 0.504 155 F N -1.088 118.619 119.950 -0.405 0.000 2.715 155 F HA 0.876 5.404 4.527 0.002 0.000 0.318 155 F C -0.578 175.102 175.800 -0.199 0.000 1.141 155 F CA -1.805 56.053 58.000 -0.236 0.000 0.950 155 F CB 0.885 39.785 39.000 -0.166 0.000 1.374 155 F HN 0.013 nan 8.300 nan 0.000 0.477 156 A N 1.518 124.460 122.820 0.203 0.000 2.362 156 A HA 0.606 4.927 4.320 0.001 0.000 0.276 156 A C -0.135 177.646 177.584 0.330 0.000 1.153 156 A CA 0.150 52.274 52.037 0.144 0.000 0.813 156 A CB -0.027 19.055 19.000 0.137 0.000 1.081 156 A HN 0.976 nan 8.150 nan 0.000 0.507 157 S N 1.301 117.112 115.700 0.185 0.000 2.632 157 S HA 0.495 4.966 4.470 0.001 0.000 0.289 157 S C 0.265 175.034 174.600 0.282 0.000 1.115 157 S CA -0.781 57.600 58.200 0.303 0.000 0.889 157 S CB 1.187 64.531 63.200 0.239 0.000 1.116 157 S HN 0.679 nan 8.310 nan 0.000 0.486 158 N N 1.482 120.308 118.700 0.212 0.000 2.197 158 N HA 0.112 4.853 4.740 0.001 0.000 0.201 158 N C -0.425 175.136 175.510 0.084 0.000 1.148 158 N CA 0.011 53.129 53.050 0.114 0.000 0.883 158 N CB 0.128 38.663 38.487 0.080 0.000 1.012 158 N HN 0.649 nan 8.380 nan 0.000 0.507 159 N N 1.613 120.411 118.700 0.163 0.000 2.414 159 N HA 0.130 4.871 4.740 0.001 0.000 0.256 159 N C 1.092 176.680 175.510 0.130 0.000 1.029 159 N CA -0.145 52.982 53.050 0.129 0.000 0.948 159 N CB 1.132 39.749 38.487 0.217 0.000 1.102 159 N HN 0.024 nan 8.380 nan 0.000 0.496 160 I N 4.278 124.785 120.570 -0.107 0.000 2.335 160 I HA -0.291 3.880 4.170 0.001 0.000 0.251 160 I C 0.777 176.916 176.117 0.037 0.000 1.129 160 I CA 1.358 62.558 61.300 -0.167 0.000 1.402 160 I CB -0.006 37.783 38.000 -0.351 0.000 1.069 160 I HN 0.663 nan 8.210 nan 0.000 0.424 161 Y N 0.275 120.674 120.300 0.166 0.000 2.716 161 Y HA -0.175 4.376 4.550 0.001 0.000 0.302 161 Y C 1.916 177.919 175.900 0.172 0.000 1.160 161 Y CA 0.543 58.748 58.100 0.176 0.000 1.362 161 Y CB -0.779 37.790 38.460 0.183 0.000 0.988 161 Y HN 0.247 nan 8.280 nan 0.000 0.546 162 D N -1.838 118.747 120.400 0.309 0.000 2.346 162 D HA -0.046 4.595 4.640 0.001 0.000 0.206 162 D C -0.158 176.044 176.300 -0.165 0.000 1.001 162 D CA 0.460 54.496 54.000 0.059 0.000 0.871 162 D CB -0.057 40.680 40.800 -0.106 0.000 0.943 162 D HN 0.253 nan 8.370 nan 0.000 0.518 163 Y N 0.993 121.277 120.300 -0.028 0.000 2.667 163 Y HA 0.131 4.682 4.550 0.001 0.000 0.340 163 Y C 1.411 177.405 175.900 0.156 0.000 1.303 163 Y CA -0.075 58.019 58.100 -0.009 0.000 1.769 163 Y CB -0.207 38.224 38.460 -0.047 0.000 1.804 163 Y HN -0.156 nan 8.280 nan 0.000 0.451 164 T N -4.023 110.644 114.554 0.187 0.000 3.044 164 T HA 0.157 4.508 4.350 0.001 0.000 0.260 164 T C 0.362 175.114 174.700 0.086 0.000 1.019 164 T CA -0.437 61.807 62.100 0.241 0.000 0.921 164 T CB 0.044 69.007 68.868 0.159 0.000 1.053 164 T HN 0.210 nan 8.240 nan 0.000 0.533 165 N N 3.233 121.984 118.700 0.085 0.000 2.497 165 N HA 0.118 4.859 4.740 0.001 0.000 0.271 165 N C -0.103 175.447 175.510 0.067 0.000 1.142 165 N CA -0.060 53.041 53.050 0.084 0.000 0.965 165 N CB 1.295 39.904 38.487 0.202 0.000 1.077 165 N HN 0.569 nan 8.380 nan 0.000 0.462 166 E N 0.823 121.026 120.200 0.006 0.000 2.452 166 E HA -0.050 4.300 4.350 0.001 0.000 0.261 166 E C -0.483 176.109 176.600 -0.014 0.000 0.987 166 E CA 0.282 56.672 56.400 -0.017 0.000 0.926 166 E CB 0.550 30.220 29.700 -0.050 0.000 0.934 166 E HN 0.446 nan 8.360 nan 0.000 0.452 167 T N 2.598 117.148 114.554 -0.007 0.000 2.815 167 T HA 0.574 4.925 4.350 0.001 0.000 0.289 167 T C -0.484 174.189 174.700 -0.045 0.000 1.000 167 T CA -0.400 61.687 62.100 -0.021 0.000 0.958 167 T CB 0.988 69.865 68.868 0.016 0.000 0.944 167 T HN 0.549 nan 8.240 nan 0.000 0.442 168 A N 4.812 127.594 122.820 -0.064 0.000 2.462 168 A HA 0.555 4.876 4.320 0.001 0.000 0.243 168 A C 0.118 177.652 177.584 -0.082 0.000 1.076 168 A CA -0.295 51.697 52.037 -0.075 0.000 0.773 168 A CB -0.220 18.732 19.000 -0.079 0.000 1.010 168 A HN 0.905 nan 8.150 nan 0.000 0.493 169 N N 1.058 119.695 118.700 -0.106 0.000 2.258 169 N HA 0.488 5.229 4.740 0.001 0.000 0.299 169 N C -1.741 173.650 175.510 -0.197 0.000 1.047 169 N CA -0.545 52.421 53.050 -0.140 0.000 0.814 169 N CB 1.769 40.172 38.487 -0.140 0.000 1.413 169 N HN 0.564 nan 8.380 nan 0.000 0.478 170 D N 0.548 120.791 120.400 -0.262 0.000 2.185 170 D HA 0.468 5.109 4.640 0.001 0.000 0.247 170 D C -0.630 175.264 176.300 -0.677 0.000 1.027 170 D CA -0.260 53.464 54.000 -0.459 0.000 0.861 170 D CB 2.046 42.578 40.800 -0.446 0.000 1.202 170 D HN 0.037 nan 8.370 nan 0.000 0.453 171 V N 2.186 121.633 119.914 -0.777 0.000 2.604 171 V HA 0.467 4.588 4.120 0.001 0.000 0.305 171 V C -0.811 174.771 176.094 -0.853 0.000 1.043 171 V CA -0.789 61.118 62.300 -0.656 0.000 0.888 171 V CB 1.348 32.971 31.823 -0.333 0.000 0.995 171 V HN 0.328 nan 8.190 nan 0.000 0.429 172 F N 2.603 122.516 119.950 -0.062 0.000 2.460 172 F HA 0.484 5.012 4.527 0.001 0.000 0.341 172 F C 0.110 175.940 175.800 0.051 0.000 1.130 172 F CA -0.642 57.361 58.000 0.005 0.000 0.962 172 F CB 1.394 40.427 39.000 0.055 0.000 1.171 172 F HN 0.455 nan 8.300 nan 0.000 0.436 173 D N 2.937 123.449 120.400 0.186 0.000 2.256 173 D HA 0.619 5.260 4.640 0.001 0.000 0.246 173 D C -1.496 174.951 176.300 0.244 0.000 1.042 173 D CA -0.278 53.849 54.000 0.213 0.000 0.841 173 D CB 2.540 43.434 40.800 0.156 0.000 1.223 173 D HN 0.334 nan 8.370 nan 0.000 0.470 174 V N 4.098 124.188 119.914 0.293 0.000 2.623 174 V HA 0.496 4.617 4.120 0.001 0.000 0.304 174 V C -0.431 175.855 176.094 0.320 0.000 1.054 174 V CA -0.672 61.792 62.300 0.274 0.000 0.882 174 V CB 2.085 34.062 31.823 0.256 0.000 1.002 174 V HN 0.534 nan 8.190 nan 0.000 0.424 175 R N 3.505 124.173 120.500 0.281 0.000 2.744 175 R HA 0.796 5.137 4.340 0.001 0.000 0.279 175 R C -1.672 174.755 176.300 0.211 0.000 0.977 175 R CA -0.806 55.473 56.100 0.299 0.000 0.906 175 R CB 2.420 32.872 30.300 0.253 0.000 1.197 175 R HN 0.493 nan 8.270 nan 0.000 0.463 176 L N 1.740 123.090 121.223 0.213 0.000 2.457 176 L HA 0.762 5.103 4.340 0.001 0.000 0.266 176 L C -1.254 175.704 176.870 0.147 0.000 0.979 176 L CA -0.090 54.837 54.840 0.145 0.000 0.857 176 L CB 1.420 43.580 42.059 0.169 0.000 1.213 176 L HN 0.848 nan 8.230 nan 0.000 0.418 177 A N 2.784 125.658 122.820 0.091 0.000 2.468 177 A HA 0.693 5.014 4.320 0.001 0.000 0.270 177 A C -0.013 177.600 177.584 0.048 0.000 1.217 177 A CA -0.285 51.806 52.037 0.090 0.000 0.908 177 A CB 0.828 19.871 19.000 0.070 0.000 1.423 177 A HN 0.686 nan 8.150 nan 0.000 0.459 178 Q N -1.415 118.410 119.800 0.042 0.000 2.457 178 Q HA -0.191 4.150 4.340 0.001 0.000 0.283 178 Q C -0.815 175.214 176.000 0.048 0.000 1.234 178 Q CA 0.986 56.801 55.803 0.020 0.000 0.877 178 Q CB -1.546 27.184 28.738 -0.014 0.000 1.250 178 Q HN 0.644 nan 8.270 nan 0.000 0.481 179 M N 0.717 120.372 119.600 0.092 0.000 2.144 179 M HA 0.168 4.649 4.480 0.001 0.000 0.356 179 M C 0.070 176.437 176.300 0.112 0.000 1.217 179 M CA 0.061 55.444 55.300 0.138 0.000 1.087 179 M CB 0.870 33.592 32.600 0.204 0.000 1.609 179 M HN -0.060 nan 8.290 nan 0.000 0.467 180 E N 3.166 123.427 120.200 0.101 0.000 1.802 180 E HA 0.098 4.449 4.350 0.001 0.000 0.265 180 E C 0.725 177.387 176.600 0.103 0.000 1.168 180 E CA -0.072 56.379 56.400 0.084 0.000 1.033 180 E CB -0.078 29.661 29.700 0.065 0.000 1.095 180 E HN 0.547 nan 8.360 nan 0.000 0.436 181 I N 1.703 122.352 120.570 0.131 0.000 2.454 181 I HA -0.183 3.988 4.170 0.001 0.000 0.254 181 I C 0.849 177.036 176.117 0.117 0.000 1.156 181 I CA 1.321 62.701 61.300 0.134 0.000 1.433 181 I CB -1.093 37.017 38.000 0.184 0.000 1.082 181 I HN 0.541 nan 8.210 nan 0.000 0.432 182 N N 0.479 119.257 118.700 0.130 0.000 3.277 182 N HA 0.238 4.979 4.740 0.001 0.000 0.278 182 N C -3.198 172.365 175.510 0.089 0.000 1.544 182 N CA -1.009 52.104 53.050 0.106 0.000 0.869 182 N CB 1.357 39.916 38.487 0.122 0.000 1.584 182 N HN -0.268 nan 8.380 nan 0.000 0.564 183 P HA 0.204 nan 4.420 nan 0.000 0.281 183 P C 0.625 177.964 177.300 0.065 0.000 1.286 183 P CA 0.850 63.985 63.100 0.058 0.000 0.772 183 P CB 0.258 31.986 31.700 0.046 0.000 0.862 184 G N 2.284 111.115 108.800 0.052 0.000 2.143 184 G HA2 -0.113 3.848 3.960 0.001 0.000 0.249 184 G HA3 -0.113 3.848 3.960 0.001 0.000 0.249 184 G C 0.308 175.230 174.900 0.038 0.000 0.981 184 G CA -0.219 44.910 45.100 0.048 0.000 0.665 184 G HN 0.931 nan 8.290 nan 0.000 0.528 185 G N -0.448 108.374 108.800 0.036 0.000 2.687 185 G HA2 0.803 4.764 3.960 0.001 0.000 0.301 185 G HA3 0.803 4.764 3.960 0.001 0.000 0.301 185 G C -0.370 174.488 174.900 -0.070 0.000 1.416 185 G CA 0.586 45.655 45.100 -0.052 0.000 1.005 185 G HN 0.944 nan 8.290 nan 0.000 0.509 186 T N -0.531 113.902 114.554 -0.201 0.000 2.942 186 T HA 0.734 5.085 4.350 0.001 0.000 0.289 186 T C -0.850 173.823 174.700 -0.045 0.000 1.044 186 T CA -0.810 61.249 62.100 -0.068 0.000 1.023 186 T CB 2.252 71.094 68.868 -0.044 0.000 1.123 186 T HN 0.549 nan 8.240 nan 0.000 0.512 187 L N 0.931 122.209 121.223 0.092 0.000 2.381 187 L HA 0.645 4.986 4.340 0.001 0.000 0.274 187 L C -0.636 176.338 176.870 0.174 0.000 0.988 187 L CA -0.499 54.444 54.840 0.172 0.000 0.824 187 L CB 1.834 44.022 42.059 0.214 0.000 1.263 187 L HN 0.890 nan 8.230 nan 0.000 0.410 188 E N 3.729 124.056 120.200 0.211 0.000 2.212 188 E HA 0.613 4.964 4.350 0.001 0.000 0.268 188 E C -1.847 174.907 176.600 0.256 0.000 0.902 188 E CA -0.772 55.779 56.400 0.251 0.000 0.779 188 E CB 1.570 31.470 29.700 0.334 0.000 1.172 188 E HN 0.542 nan 8.360 nan 0.000 0.409 189 L N 2.927 124.310 121.223 0.265 0.000 2.381 189 L HA 0.668 5.009 4.340 0.001 0.000 0.274 189 L C -0.234 176.822 176.870 0.309 0.000 0.988 189 L CA -0.235 54.743 54.840 0.231 0.000 0.824 189 L CB 1.838 44.020 42.059 0.205 0.000 1.263 189 L HN 0.639 nan 8.230 nan 0.000 0.410 190 G N 2.361 111.307 108.800 0.243 0.000 2.563 190 G HA2 0.700 4.661 3.960 0.001 0.000 0.302 190 G HA3 0.700 4.661 3.960 0.001 0.000 0.302 190 G C -1.896 173.187 174.900 0.304 0.000 1.301 190 G CA -0.528 44.804 45.100 0.387 0.000 0.965 190 G HN 0.294 nan 8.290 nan 0.000 0.480 191 V N 1.587 121.730 119.914 0.382 0.000 2.525 191 V HA 0.411 4.532 4.120 0.001 0.000 0.299 191 V C -1.305 174.980 176.094 0.318 0.000 1.034 191 V CA -0.876 61.657 62.300 0.388 0.000 0.863 191 V CB 1.934 34.068 31.823 0.518 0.000 0.999 191 V HN 0.718 nan 8.190 nan 0.000 0.423 192 D N 3.300 123.802 120.400 0.169 0.000 2.391 192 D HA 0.345 4.986 4.640 0.001 0.000 0.245 192 D C -1.441 174.795 176.300 -0.107 0.000 1.069 192 D CA -0.204 53.847 54.000 0.086 0.000 0.831 192 D CB 2.658 43.497 40.800 0.066 0.000 1.204 192 D HN 0.526 nan 8.370 nan 0.000 0.503 193 Y N 1.458 121.585 120.300 -0.288 0.000 2.338 193 Y HA 0.496 5.046 4.550 0.001 0.000 0.328 193 Y C -0.314 175.396 175.900 -0.316 0.000 0.965 193 Y CA -0.807 56.902 58.100 -0.651 0.000 1.208 193 Y CB 1.334 39.335 38.460 -0.764 0.000 1.132 193 Y HN 0.357 nan 8.280 nan 0.000 0.469 194 G N 5.861 114.063 108.800 -0.997 0.000 2.400 194 G HA2 0.696 4.657 3.960 0.001 0.000 0.333 194 G HA3 0.696 4.657 3.960 0.001 0.000 0.333 194 G C -1.527 172.889 174.900 -0.807 0.000 1.143 194 G CA -1.202 43.451 45.100 -0.745 0.000 0.914 194 G HN 0.859 nan 8.290 nan 0.000 0.480 195 R N -0.044 120.163 120.500 -0.489 0.000 2.629 195 R HA 0.694 5.034 4.340 0.001 0.000 0.266 195 R C -0.642 175.567 176.300 -0.153 0.000 1.051 195 R CA -0.832 55.089 56.100 -0.297 0.000 0.895 195 R CB 1.212 31.394 30.300 -0.197 0.000 1.246 195 R HN 0.784 nan 8.270 nan 0.000 0.459 196 A N 2.083 124.846 122.820 -0.095 0.000 2.440 196 A HA 0.236 4.557 4.320 0.001 0.000 0.251 196 A C -0.510 177.057 177.584 -0.028 0.000 1.089 196 A CA -0.330 51.672 52.037 -0.059 0.000 0.779 196 A CB 0.214 19.193 19.000 -0.035 0.000 1.022 196 A HN 0.708 nan 8.150 nan 0.000 0.492 197 N N 2.726 121.407 118.700 -0.031 0.000 2.706 197 N HA 0.374 5.115 4.740 0.001 0.000 0.240 197 N C -1.081 174.410 175.510 -0.031 0.000 1.039 197 N CA -0.280 52.761 53.050 -0.014 0.000 0.888 197 N CB 0.071 38.548 38.487 -0.016 0.000 1.128 197 N HN 0.555 nan 8.380 nan 0.000 0.512 198 L N 2.487 123.702 121.223 -0.013 0.000 2.426 198 L HA 0.351 4.692 4.340 0.001 0.000 0.271 198 L C 1.369 178.195 176.870 -0.074 0.000 1.169 198 L CA -0.451 54.373 54.840 -0.026 0.000 0.836 198 L CB 0.608 42.694 42.059 0.045 0.000 1.112 198 L HN 0.265 nan 8.230 nan 0.000 0.465 199 R N 0.821 121.189 120.500 -0.221 0.000 2.784 199 R HA 0.013 4.354 4.340 0.001 0.000 0.266 199 R C -0.338 175.914 176.300 -0.079 0.000 1.044 199 R CA -0.697 55.235 56.100 -0.280 0.000 1.151 199 R CB 0.218 30.095 30.300 -0.705 0.000 1.037 199 R HN 0.501 nan 8.270 nan 0.000 0.478 200 D N 1.263 121.649 120.400 -0.022 0.000 2.487 200 D HA -0.086 4.554 4.640 0.001 0.000 0.243 200 D C 0.221 176.631 176.300 0.184 0.000 1.154 200 D CA 0.921 54.960 54.000 0.064 0.000 0.876 200 D CB 0.231 41.058 40.800 0.046 0.000 1.161 200 D HN 0.494 nan 8.370 nan 0.000 0.478 201 N N 1.384 120.189 118.700 0.175 0.000 2.984 201 N HA -0.236 4.505 4.740 0.001 0.000 0.227 201 N C -0.745 174.891 175.510 0.211 0.000 0.903 201 N CA 0.632 53.789 53.050 0.178 0.000 0.995 201 N CB -1.228 37.338 38.487 0.133 0.000 1.065 201 N HN 0.386 nan 8.380 nan 0.000 0.585 202 Y N 0.912 121.201 120.300 -0.019 0.000 2.295 202 Y HA 0.534 5.085 4.550 0.002 0.000 0.331 202 Y C 1.358 177.241 175.900 -0.029 0.000 1.311 202 Y CA 0.096 58.166 58.100 -0.049 0.000 1.430 202 Y CB 0.700 39.127 38.460 -0.053 0.000 1.339 202 Y HN -0.150 nan 8.280 nan 0.000 0.552 203 R N 0.632 121.173 120.500 0.069 0.000 2.771 203 R HA 0.608 4.949 4.340 0.001 0.000 0.274 203 R C -1.550 174.876 176.300 0.211 0.000 0.987 203 R CA -0.944 55.217 56.100 0.101 0.000 0.908 203 R CB 2.107 32.447 30.300 0.067 0.000 1.213 203 R HN 0.545 nan 8.270 nan 0.000 0.468 204 L N 1.296 122.648 121.223 0.215 0.000 2.352 204 L HA 0.450 4.791 4.340 0.001 0.000 0.269 204 L C 0.395 177.336 176.870 0.119 0.000 1.034 204 L CA -1.166 53.800 54.840 0.209 0.000 0.806 204 L CB 1.662 43.765 42.059 0.073 0.000 1.244 204 L HN 0.307 nan 8.230 nan 0.000 0.447 205 V N 0.886 120.655 119.914 -0.242 0.000 3.083 205 V HA -0.151 3.970 4.120 0.001 0.000 0.303 205 V C 0.171 176.126 176.094 -0.233 0.000 1.151 205 V CA 0.409 62.353 62.300 -0.594 0.000 1.275 205 V CB 0.551 32.017 31.823 -0.594 0.000 0.950 205 V HN 0.664 nan 8.190 nan 0.000 0.506 206 D N 2.624 122.906 120.400 -0.197 0.000 2.425 206 D HA 0.412 5.053 4.640 0.001 0.000 0.247 206 D C 0.934 177.174 176.300 -0.100 0.000 1.147 206 D CA 1.505 55.449 54.000 -0.094 0.000 0.879 206 D CB 0.959 41.719 40.800 -0.067 0.000 1.179 206 D HN 0.913 nan 8.370 nan 0.000 0.456 207 G N 1.996 110.759 108.800 -0.062 0.000 2.176 207 G HA2 -0.202 3.759 3.960 0.001 0.000 0.253 207 G HA3 -0.202 3.759 3.960 0.001 0.000 0.253 207 G C 0.536 175.393 174.900 -0.072 0.000 0.979 207 G CA 0.246 45.310 45.100 -0.060 0.000 0.641 207 G HN 0.855 nan 8.290 nan 0.000 0.530 208 A N 0.730 123.499 122.820 -0.085 0.000 2.498 208 A HA 0.622 4.942 4.320 0.001 0.000 0.239 208 A C 1.867 179.422 177.584 -0.050 0.000 1.068 208 A CA 1.316 53.300 52.037 -0.088 0.000 0.766 208 A CB 0.260 19.211 19.000 -0.082 0.000 1.003 208 A HN 1.738 nan 8.150 nan 0.000 0.497 209 S N 1.959 117.625 115.700 -0.055 0.000 2.383 209 S HA -0.247 4.224 4.470 0.001 0.000 0.229 209 S C 1.557 176.156 174.600 -0.001 0.000 1.030 209 S CA 1.642 59.830 58.200 -0.020 0.000 1.002 209 S CB -0.471 62.712 63.200 -0.029 0.000 0.829 209 S HN 1.199 nan 8.310 nan 0.000 0.467 210 K N 0.752 121.140 120.400 -0.019 0.000 8.623 210 K HA -0.331 3.990 4.320 0.001 0.000 0.494 210 K C -0.420 176.157 176.600 -0.038 0.000 0.366 210 K CA 2.215 58.495 56.287 -0.011 0.000 1.954 210 K CB -2.012 30.502 32.500 0.022 0.000 0.699 210 K HN 0.736 nan 8.250 nan 0.000 0.968 211 D N -1.371 119.016 120.400 -0.022 0.000 2.798 211 D HA 0.710 5.351 4.640 0.001 0.000 0.308 211 D C 0.155 176.417 176.300 -0.063 0.000 1.187 211 D CA 0.129 54.068 54.000 -0.101 0.000 1.033 211 D CB 1.361 42.131 40.800 -0.051 0.000 1.445 211 D HN 0.509 nan 8.370 nan 0.000 0.550 212 G N -2.388 106.304 108.800 -0.180 0.000 2.342 212 G HA2 0.458 4.419 3.960 0.001 0.000 0.297 212 G HA3 0.458 4.419 3.960 0.001 0.000 0.297 212 G C -2.323 172.384 174.900 -0.321 0.000 1.313 212 G CA -1.075 43.996 45.100 -0.048 0.000 0.830 212 G HN 0.332 nan 8.290 nan 0.000 0.506 213 W N -1.003 120.275 121.300 -0.037 0.000 3.033 213 W HA 0.744 5.405 4.660 0.001 0.000 0.336 213 W C -0.888 175.394 176.519 -0.396 0.000 1.173 213 W CA -0.755 56.462 57.345 -0.213 0.000 1.185 213 W CB 2.358 31.619 29.460 -0.331 0.000 1.425 213 W HN 0.498 nan 8.180 nan 0.000 0.536 214 L N 2.725 123.765 121.223 -0.305 0.000 2.410 214 L HA 0.730 5.071 4.340 0.001 0.000 0.270 214 L C -1.853 174.743 176.870 -0.456 0.000 0.983 214 L CA -0.858 53.803 54.840 -0.297 0.000 0.822 214 L CB 0.777 42.737 42.059 -0.165 0.000 1.285 214 L HN 0.246 nan 8.230 nan 0.000 0.409 215 F N 2.563 122.578 119.950 0.109 0.000 2.493 215 F HA 0.736 5.264 4.527 0.001 0.000 0.329 215 F C 0.202 175.937 175.800 -0.108 0.000 1.126 215 F CA -0.492 57.547 58.000 0.064 0.000 0.937 215 F CB 2.429 41.510 39.000 0.135 0.000 1.146 215 F HN 0.374 nan 8.300 nan 0.000 0.442 216 T N 2.222 116.712 114.554 -0.106 0.000 2.876 216 T HA 0.842 5.193 4.350 0.001 0.000 0.289 216 T C -1.044 173.559 174.700 -0.161 0.000 1.014 216 T CA -0.836 61.050 62.100 -0.356 0.000 0.986 216 T CB 1.863 70.026 68.868 -1.176 0.000 1.021 216 T HN 0.709 nan 8.240 nan 0.000 0.458 217 A N 2.382 125.150 122.820 -0.086 0.000 2.414 217 A HA 0.712 5.032 4.320 0.001 0.000 0.286 217 A C -0.794 176.834 177.584 0.075 0.000 1.073 217 A CA -0.679 51.383 52.037 0.043 0.000 0.727 217 A CB 1.153 20.202 19.000 0.081 0.000 1.215 217 A HN 0.798 nan 8.150 nan 0.000 0.430 218 E N 1.956 122.259 120.200 0.173 0.000 2.199 218 E HA 0.373 4.724 4.350 0.001 0.000 0.265 218 E C -1.423 175.355 176.600 0.297 0.000 0.882 218 E CA -0.541 56.004 56.400 0.242 0.000 0.759 218 E CB 1.097 31.010 29.700 0.355 0.000 1.148 218 E HN 0.783 nan 8.360 nan 0.000 0.412 219 H N 3.612 122.823 119.070 0.235 0.000 2.539 219 H HA 0.361 4.918 4.556 0.001 0.000 0.332 219 H C -1.335 174.121 175.328 0.213 0.000 1.031 219 H CA -0.341 55.840 56.048 0.222 0.000 1.206 219 H CB 1.371 31.280 29.762 0.245 0.000 1.446 219 H HN 0.436 nan 8.280 nan 0.000 0.496 220 T N 4.865 119.237 114.554 -0.303 0.000 2.771 220 T HA 0.154 4.505 4.350 0.001 0.000 0.281 220 T C -0.210 174.327 174.700 -0.272 0.000 0.982 220 T CA -0.702 61.315 62.100 -0.138 0.000 0.978 220 T CB 1.612 70.434 68.868 -0.076 0.000 0.930 220 T HN 0.504 nan 8.240 nan 0.000 0.447 221 Q N 2.010 121.820 119.800 0.017 0.000 2.325 221 Q HA 0.464 4.805 4.340 0.001 0.000 0.270 221 Q C -0.419 175.667 176.000 0.142 0.000 1.020 221 Q CA -0.358 55.501 55.803 0.093 0.000 0.785 221 Q CB 1.669 30.560 28.738 0.254 0.000 1.259 221 Q HN 0.639 nan 8.270 nan 0.000 0.452 222 S N 3.093 118.855 115.700 0.104 0.000 2.488 222 S HA 0.591 5.062 4.470 0.001 0.000 0.278 222 S C -0.727 173.942 174.600 0.115 0.000 1.259 222 S CA -0.175 58.096 58.200 0.118 0.000 1.061 222 S CB -0.122 63.123 63.200 0.075 0.000 0.910 222 S HN 0.484 nan 8.310 nan 0.000 0.491 223 V N 6.032 126.021 119.914 0.126 0.000 3.048 223 V HA 0.367 4.488 4.120 0.001 0.000 0.303 223 V C -0.012 176.139 176.094 0.095 0.000 1.214 223 V CA -1.012 61.348 62.300 0.100 0.000 0.984 223 V CB 1.805 33.688 31.823 0.100 0.000 1.054 223 V HN 0.951 nan 8.190 nan 0.000 0.430 224 L N 3.495 124.763 121.223 0.075 0.000 3.941 224 L HA -0.284 4.057 4.340 0.001 0.000 0.455 224 L C 1.146 178.070 176.870 0.091 0.000 1.179 224 L CA 1.063 55.947 54.840 0.072 0.000 0.782 224 L CB -1.426 40.673 42.059 0.066 0.000 1.679 224 L HN 0.995 nan 8.230 nan 0.000 0.871 225 K N -3.047 117.408 120.400 0.092 0.000 3.274 225 K HA -0.211 4.110 4.320 0.001 0.000 0.300 225 K C 0.800 177.486 176.600 0.144 0.000 1.230 225 K CA 0.902 57.251 56.287 0.103 0.000 0.884 225 K CB -1.560 30.996 32.500 0.093 0.000 1.242 225 K HN 0.775 nan 8.250 nan 0.000 0.467 226 G N 0.105 109.000 108.800 0.158 0.000 3.107 226 G HA2 0.767 4.728 3.960 0.001 0.000 0.233 226 G HA3 0.767 4.728 3.960 0.001 0.000 0.233 226 G C -1.031 174.028 174.900 0.265 0.000 1.168 226 G CA -0.345 44.888 45.100 0.222 0.000 0.801 226 G HN 0.239 nan 8.290 nan 0.000 0.605 227 F N -1.190 118.831 119.950 0.118 0.000 2.715 227 F HA 0.764 5.292 4.527 0.001 0.000 0.318 227 F C -1.242 174.620 175.800 0.102 0.000 1.141 227 F CA -1.535 56.510 58.000 0.074 0.000 0.950 227 F CB 2.072 41.075 39.000 0.005 0.000 1.374 227 F HN 0.529 nan 8.300 nan 0.000 0.477 228 N N 1.463 120.258 118.700 0.158 0.000 2.425 228 N HA 0.284 5.025 4.740 0.001 0.000 0.289 228 N C -2.117 173.544 175.510 0.252 0.000 1.074 228 N CA -0.564 52.551 53.050 0.108 0.000 0.905 228 N CB 2.293 40.911 38.487 0.218 0.000 1.586 228 N HN 0.721 nan 8.380 nan 0.000 0.490 229 K N 2.763 123.249 120.400 0.144 0.000 2.221 229 K HA 0.381 4.702 4.320 0.001 0.000 0.258 229 K C -1.197 175.562 176.600 0.265 0.000 0.944 229 K CA -0.574 55.824 56.287 0.184 0.000 0.823 229 K CB 2.009 34.532 32.500 0.038 0.000 1.113 229 K HN 0.458 nan 8.250 nan 0.000 0.431 230 F N 2.616 122.684 119.950 0.196 0.000 2.477 230 F HA 0.394 4.922 4.527 0.001 0.000 0.335 230 F C -1.139 174.746 175.800 0.142 0.000 1.130 230 F CA -0.765 57.332 58.000 0.161 0.000 0.948 230 F CB 1.159 40.250 39.000 0.151 0.000 1.154 230 F HN 0.153 nan 8.300 nan 0.000 0.439 231 V N 5.963 125.456 119.914 -0.701 0.000 2.769 231 V HA 0.733 4.854 4.120 0.001 0.000 0.312 231 V C -0.970 174.738 176.094 -0.644 0.000 1.061 231 V CA -0.963 61.034 62.300 -0.505 0.000 0.931 231 V CB 1.810 33.408 31.823 -0.375 0.000 1.010 231 V HN 0.603 nan 8.190 nan 0.000 0.433 232 V N 3.603 123.312 119.914 -0.343 0.000 2.569 232 V HA 0.524 4.645 4.120 0.001 0.000 0.301 232 V C -0.658 175.380 176.094 -0.093 0.000 1.044 232 V CA -0.446 61.730 62.300 -0.207 0.000 0.874 232 V CB 1.706 33.477 31.823 -0.087 0.000 1.002 232 V HN 0.978 nan 8.190 nan 0.000 0.424 233 Q N 2.684 122.454 119.800 -0.050 0.000 2.413 233 Q HA 0.667 5.008 4.340 0.001 0.000 0.276 233 Q C -1.944 174.149 176.000 0.156 0.000 1.099 233 Q CA -0.853 54.955 55.803 0.008 0.000 0.814 233 Q CB 3.441 32.134 28.738 -0.075 0.000 1.379 233 Q HN 0.744 nan 8.270 nan 0.000 0.436 234 Y N 0.523 120.870 120.300 0.079 0.000 2.361 234 Y HA 0.682 5.233 4.550 0.001 0.000 0.328 234 Y C -1.695 174.310 175.900 0.176 0.000 1.044 234 Y CA -0.525 57.665 58.100 0.150 0.000 1.085 234 Y CB 1.235 39.817 38.460 0.204 0.000 1.194 234 Y HN 0.720 nan 8.280 nan 0.000 0.438 235 A N 3.491 126.065 122.820 -0.410 0.000 2.354 235 A HA 0.875 5.196 4.320 0.001 0.000 0.321 235 A C -0.959 176.412 177.584 -0.354 0.000 1.125 235 A CA -0.748 51.123 52.037 -0.277 0.000 0.799 235 A CB 1.606 20.524 19.000 -0.136 0.000 1.293 235 A HN 0.626 nan 8.150 nan 0.000 0.452 236 T N 1.500 116.011 114.554 -0.071 0.000 2.841 236 T HA 0.516 4.867 4.350 0.001 0.000 0.285 236 T C -0.352 174.415 174.700 0.111 0.000 0.991 236 T CA 0.161 62.307 62.100 0.077 0.000 0.966 236 T CB 0.834 69.870 68.868 0.279 0.000 0.962 236 T HN 0.816 nan 8.240 nan 0.000 0.438 237 D N 1.874 122.355 120.400 0.135 0.000 4.049 237 D HA -0.280 4.361 4.640 0.001 0.000 0.154 237 D C 1.822 178.169 176.300 0.078 0.000 0.764 237 D CA 2.203 56.276 54.000 0.122 0.000 1.058 237 D CB -1.477 39.390 40.800 0.112 0.000 0.472 237 D HN 0.669 nan 8.370 nan 0.000 0.449 238 S N -0.331 115.380 115.700 0.018 0.000 2.493 238 S HA -0.135 4.336 4.470 0.001 0.000 0.243 238 S C 1.605 176.185 174.600 -0.033 0.000 0.991 238 S CA 1.480 59.662 58.200 -0.029 0.000 0.957 238 S CB -0.150 63.004 63.200 -0.077 0.000 0.756 238 S HN 0.398 nan 8.310 nan 0.000 0.521 239 M N 1.898 121.484 119.600 -0.025 0.000 2.428 239 M HA 0.130 4.611 4.480 0.001 0.000 0.239 239 M C 1.933 178.239 176.300 0.011 0.000 1.121 239 M CA 1.058 56.335 55.300 -0.038 0.000 1.019 239 M CB -0.905 31.646 32.600 -0.080 0.000 1.485 239 M HN 0.671 nan 8.290 nan 0.000 0.484 240 T N -2.087 112.514 114.554 0.079 0.000 3.043 240 T HA 0.005 4.356 4.350 0.001 0.000 0.263 240 T C 1.889 176.707 174.700 0.195 0.000 1.094 240 T CA 1.225 63.393 62.100 0.113 0.000 1.127 240 T CB -0.231 68.751 68.868 0.190 0.000 0.905 240 T HN 0.350 nan 8.240 nan 0.000 0.490 241 S N 1.402 117.254 115.700 0.254 0.000 2.345 241 S HA -0.077 4.394 4.470 0.001 0.000 0.219 241 S C 2.197 176.881 174.600 0.141 0.000 1.031 241 S CA 0.545 58.917 58.200 0.286 0.000 0.984 241 S CB -0.643 62.666 63.200 0.182 0.000 0.874 241 S HN 0.436 nan 8.310 nan 0.000 0.451 242 Q N 1.599 121.439 119.800 0.068 0.000 2.083 242 Q HA 0.039 4.380 4.340 0.001 0.000 0.198 242 Q C 1.476 177.500 176.000 0.039 0.000 0.969 242 Q CA 1.181 57.002 55.803 0.030 0.000 0.838 242 Q CB -0.658 28.073 28.738 -0.011 0.000 0.900 242 Q HN 0.770 nan 8.270 nan 0.000 0.436 243 G N 1.270 110.091 108.800 0.036 0.000 2.198 243 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 243 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 243 G C 0.486 175.407 174.900 0.035 0.000 1.025 243 G CA 0.934 46.058 45.100 0.040 0.000 0.769 243 G HN 0.439 nan 8.290 nan 0.000 0.507 244 K N -1.548 118.862 120.400 0.017 0.000 2.554 244 K HA 0.451 4.772 4.320 0.001 0.000 0.211 244 K C 1.551 178.212 176.600 0.101 0.000 1.226 244 K CA 0.374 56.683 56.287 0.037 0.000 1.025 244 K CB 1.382 33.869 32.500 -0.022 0.000 1.021 244 K HN 1.122 nan 8.250 nan 0.000 0.600 245 G N 1.158 109.988 108.800 0.049 0.000 2.318 245 G HA2 -0.128 3.833 3.960 0.001 0.000 0.172 245 G HA3 -0.128 3.833 3.960 0.001 0.000 0.172 245 G C -0.222 174.665 174.900 -0.022 0.000 1.002 245 G CA -0.626 44.516 45.100 0.069 0.000 0.697 245 G HN 0.016 nan 8.290 nan 0.000 0.483 246 L N 1.752 122.946 121.223 -0.048 0.000 2.325 246 L HA 0.719 5.060 4.340 0.001 0.000 0.279 246 L C 0.553 177.362 176.870 -0.102 0.000 1.054 246 L CA -0.672 54.115 54.840 -0.090 0.000 0.804 246 L CB 1.810 43.818 42.059 -0.085 0.000 1.200 246 L HN 0.179 nan 8.230 nan 0.000 0.436 247 S N 1.881 117.497 115.700 -0.140 0.000 2.541 247 S HA 0.341 4.812 4.470 0.001 0.000 0.283 247 S C -0.444 174.091 174.600 -0.108 0.000 1.196 247 S CA -0.476 57.638 58.200 -0.143 0.000 1.062 247 S CB 0.822 63.895 63.200 -0.210 0.000 1.009 247 S HN 0.633 nan 8.310 nan 0.000 0.502 248 Q N 3.145 122.893 119.800 -0.086 0.000 3.122 248 Q HA 0.293 4.634 4.340 0.001 0.000 0.282 248 Q C 0.858 176.811 176.000 -0.078 0.000 0.947 248 Q CA -0.431 55.328 55.803 -0.073 0.000 0.812 248 Q CB 0.930 29.633 28.738 -0.058 0.000 1.333 248 Q HN 0.912 nan 8.270 nan 0.000 0.430 249 G N 0.157 108.909 108.800 -0.080 0.000 2.813 249 G HA2 -0.161 3.800 3.960 0.001 0.000 0.209 249 G HA3 -0.161 3.800 3.960 0.001 0.000 0.209 249 G C 1.378 176.241 174.900 -0.061 0.000 1.150 249 G CA 0.771 45.828 45.100 -0.071 0.000 0.785 249 G HN 0.526 nan 8.290 nan 0.000 0.535 250 S N -0.314 115.352 115.700 -0.056 0.000 2.436 250 S HA 0.272 4.743 4.470 0.001 0.000 0.228 250 S C 2.054 176.592 174.600 -0.104 0.000 1.014 250 S CA 1.177 59.349 58.200 -0.047 0.000 0.950 250 S CB -0.326 62.873 63.200 -0.000 0.000 0.784 250 S HN 1.400 nan 8.310 nan 0.000 0.504 251 G N 0.400 109.119 108.800 -0.134 0.000 2.179 251 G HA2 -0.212 3.749 3.960 0.001 0.000 0.257 251 G HA3 -0.212 3.749 3.960 0.001 0.000 0.257 251 G C -0.026 174.726 174.900 -0.246 0.000 1.010 251 G CA 0.338 45.317 45.100 -0.201 0.000 0.736 251 G HN 0.836 nan 8.290 nan 0.000 0.513 252 V N -0.045 119.734 119.914 -0.225 0.000 2.495 252 V HA 0.887 5.007 4.120 0.001 0.000 0.298 252 V C 0.483 176.339 176.094 -0.397 0.000 1.031 252 V CA -0.139 61.960 62.300 -0.335 0.000 0.871 252 V CB 1.627 33.299 31.823 -0.253 0.000 0.988 252 V HN 1.136 nan 8.190 nan 0.000 0.432 253 A N 4.005 126.392 122.820 -0.720 0.000 2.387 253 A HA 1.007 5.328 4.320 0.001 0.000 0.303 253 A C -1.490 175.586 177.584 -0.847 0.000 1.145 253 A CA -0.489 51.144 52.037 -0.672 0.000 0.801 253 A CB 1.498 19.951 19.000 -0.912 0.000 1.342 253 A HN 0.589 nan 8.150 nan 0.000 0.440 254 F N 0.610 120.548 119.950 -0.019 0.000 2.556 254 F HA 0.407 4.935 4.527 0.001 0.000 0.314 254 F C 0.070 176.128 175.800 0.429 0.000 1.106 254 F CA -0.788 57.354 58.000 0.237 0.000 0.911 254 F CB 1.931 41.002 39.000 0.119 0.000 1.190 254 F HN 0.713 nan 8.300 nan 0.000 0.448 255 D N 0.152 120.905 120.400 0.587 0.000 2.398 255 D HA 0.084 4.725 4.640 0.001 0.000 0.247 255 D C 0.280 176.765 176.300 0.308 0.000 1.227 255 D CA -0.371 53.866 54.000 0.396 0.000 0.980 255 D CB 0.425 41.216 40.800 -0.014 0.000 1.106 255 D HN 0.564 nan 8.370 nan 0.000 0.493 256 N N -0.900 117.940 118.700 0.234 0.000 2.520 256 N HA -0.100 4.641 4.740 0.001 0.000 0.185 256 N C 0.397 175.985 175.510 0.130 0.000 1.068 256 N CA 0.566 53.711 53.050 0.159 0.000 0.911 256 N CB 0.032 38.595 38.487 0.127 0.000 0.961 256 N HN 0.498 nan 8.380 nan 0.000 0.446 257 E N 0.511 120.811 120.200 0.167 0.000 2.368 257 E HA 0.081 4.431 4.350 0.001 0.000 0.188 257 E C -0.186 176.415 176.600 0.002 0.000 1.061 257 E CA -0.043 56.438 56.400 0.135 0.000 0.933 257 E CB 0.359 30.225 29.700 0.277 0.000 1.091 257 E HN 0.060 nan 8.360 nan 0.000 0.458 258 K N -0.372 120.070 120.400 0.070 0.000 3.281 258 K HA -0.180 4.141 4.320 0.001 0.000 0.295 258 K C -0.833 175.820 176.600 0.088 0.000 1.233 258 K CA 0.699 57.019 56.287 0.054 0.000 0.866 258 K CB -2.012 30.430 32.500 -0.098 0.000 1.265 258 K HN 0.155 nan 8.250 nan 0.000 0.482 259 F N 1.082 121.190 119.950 0.264 0.000 2.411 259 F HA 0.402 4.930 4.527 0.001 0.000 0.350 259 F C 1.262 177.245 175.800 0.304 0.000 1.114 259 F CA -0.296 57.877 58.000 0.289 0.000 1.135 259 F CB 0.941 40.040 39.000 0.164 0.000 1.120 259 F HN 0.082 nan 8.300 nan 0.000 0.495 260 A N 4.691 127.761 122.820 0.418 0.000 2.407 260 A HA 0.497 4.818 4.320 0.001 0.000 0.248 260 A C -1.187 176.408 177.584 0.019 0.000 1.082 260 A CA -0.096 51.798 52.037 -0.238 0.000 0.785 260 A CB -0.125 18.725 19.000 -0.250 0.000 1.020 260 A HN 0.782 nan 8.150 nan 0.000 0.489 261 Y N 0.056 120.171 120.300 -0.308 0.000 2.571 261 Y HA 0.531 5.081 4.550 0.002 0.000 0.341 261 Y C -0.689 175.088 175.900 -0.207 0.000 1.076 261 Y CA -1.657 56.332 58.100 -0.185 0.000 1.029 261 Y CB 1.141 39.587 38.460 -0.024 0.000 1.308 261 Y HN 0.523 nan 8.280 nan 0.000 0.461 262 N N 3.373 122.036 118.700 -0.061 0.000 2.402 262 N HA 0.199 4.940 4.740 0.001 0.000 0.252 262 N C -0.046 175.372 175.510 -0.153 0.000 1.118 262 N CA -0.145 52.802 53.050 -0.172 0.000 0.945 262 N CB 0.563 38.957 38.487 -0.154 0.000 1.147 262 N HN 0.886 nan 8.380 nan 0.000 0.495 263 I N 0.101 120.501 120.570 -0.283 0.000 3.805 263 I HA 0.263 4.433 4.170 0.001 0.000 0.337 263 I C 0.483 176.350 176.117 -0.416 0.000 1.539 263 I CA -0.817 60.303 61.300 -0.299 0.000 1.176 263 I CB -0.422 37.384 38.000 -0.322 0.000 1.248 263 I HN 0.140 nan 8.210 nan 0.000 0.437 264 N N 4.181 122.665 118.700 -0.360 0.000 2.131 264 N HA -0.185 4.556 4.740 0.001 0.000 0.276 264 N C 0.446 175.568 175.510 -0.647 0.000 1.295 264 N CA 0.849 53.667 53.050 -0.386 0.000 0.818 264 N CB 0.199 38.528 38.487 -0.264 0.000 1.049 264 N HN 0.762 nan 8.380 nan 0.000 0.484 265 N N 1.401 119.762 118.700 -0.566 0.000 2.234 265 N HA 0.024 4.765 4.740 0.001 0.000 0.227 265 N C -0.696 174.701 175.510 -0.189 0.000 1.151 265 N CA -0.603 52.016 53.050 -0.718 0.000 0.865 265 N CB 0.146 38.440 38.487 -0.322 0.000 1.066 265 N HN 0.314 nan 8.380 nan 0.000 0.515 266 N N 1.447 120.077 118.700 -0.117 0.000 2.412 266 N HA 0.180 4.921 4.740 0.001 0.000 0.254 266 N C 0.638 176.274 175.510 0.211 0.000 1.232 266 N CA 1.266 54.350 53.050 0.056 0.000 0.880 266 N CB 1.367 39.871 38.487 0.029 0.000 1.076 266 N HN 0.577 nan 8.380 nan 0.000 0.458 267 G N 0.586 109.532 108.800 0.244 0.000 2.332 267 G HA2 0.057 4.018 3.960 0.001 0.000 0.265 267 G HA3 0.057 4.018 3.960 0.001 0.000 0.265 267 G C -1.727 173.257 174.900 0.139 0.000 1.329 267 G CA -0.734 44.504 45.100 0.228 0.000 0.949 267 G HN 0.832 nan 8.290 nan 0.000 0.476 268 H N -1.342 117.749 119.070 0.035 0.000 2.990 268 H HA 0.771 5.328 4.556 0.001 0.000 0.336 268 H C -1.328 173.879 175.328 -0.203 0.000 1.306 268 H CA -0.888 55.088 56.048 -0.120 0.000 1.118 268 H CB 1.736 31.437 29.762 -0.101 0.000 1.856 268 H HN 0.907 nan 8.280 nan 0.000 0.538 269 M N 2.429 121.941 119.600 -0.148 0.000 2.393 269 M HA 0.435 4.916 4.480 0.001 0.000 0.299 269 M C -2.158 174.159 176.300 0.029 0.000 1.103 269 M CA -1.140 54.090 55.300 -0.116 0.000 0.910 269 M CB 2.660 35.162 32.600 -0.163 0.000 1.659 269 M HN 0.577 nan 8.290 nan 0.000 0.445 270 L N 5.036 126.318 121.223 0.098 0.000 2.343 270 L HA 0.625 4.965 4.340 0.001 0.000 0.278 270 L C -1.351 175.517 176.870 -0.003 0.000 0.996 270 L CA -0.129 54.807 54.840 0.161 0.000 0.831 270 L CB 1.531 43.742 42.059 0.255 0.000 1.232 270 L HN 0.857 nan 8.230 nan 0.000 0.413 271 R N 5.610 126.106 120.500 -0.007 0.000 2.480 271 R HA 0.710 5.051 4.340 0.001 0.000 0.306 271 R C -1.672 174.572 176.300 -0.094 0.000 0.958 271 R CA -0.589 55.456 56.100 -0.093 0.000 0.861 271 R CB 1.246 31.503 30.300 -0.072 0.000 1.171 271 R HN 0.768 nan 8.270 nan 0.000 0.445 272 I N 5.980 126.482 120.570 -0.113 0.000 2.468 272 I HA 0.338 4.509 4.170 0.001 0.000 0.284 272 I C -0.821 175.186 176.117 -0.183 0.000 1.038 272 I CA -0.491 60.724 61.300 -0.142 0.000 1.083 272 I CB 1.848 39.852 38.000 0.006 0.000 1.223 272 I HN 0.432 nan 8.210 nan 0.000 0.443 273 L N 5.741 126.779 121.223 -0.310 0.000 2.341 273 L HA 0.653 4.994 4.340 0.001 0.000 0.267 273 L C -1.517 175.271 176.870 -0.137 0.000 1.009 273 L CA -0.409 54.298 54.840 -0.221 0.000 0.819 273 L CB 2.364 44.228 42.059 -0.324 0.000 1.323 273 L HN 0.560 nan 8.230 nan 0.000 0.425 274 D N 2.677 123.135 120.400 0.096 0.000 2.764 274 D HA 0.299 4.940 4.640 0.001 0.000 0.227 274 D C -1.665 174.825 176.300 0.316 0.000 1.347 274 D CA -0.190 53.972 54.000 0.270 0.000 0.953 274 D CB 1.225 42.278 40.800 0.421 0.000 1.476 274 D HN 0.666 nan 8.370 nan 0.000 0.585 275 H N 0.878 120.007 119.070 0.098 0.000 2.985 275 H HA 0.830 5.387 4.556 0.002 0.000 0.360 275 H C -0.790 174.345 175.328 -0.322 0.000 1.221 275 H CA -0.684 55.290 56.048 -0.124 0.000 1.121 275 H CB 1.978 31.734 29.762 -0.011 0.000 1.854 275 H HN 0.560 nan 8.280 nan 0.000 0.551 276 G N -0.830 107.395 108.800 -0.959 0.000 2.340 276 G HA2 0.598 4.559 3.960 0.001 0.000 0.299 276 G HA3 0.598 4.559 3.960 0.001 0.000 0.299 276 G C -2.026 172.286 174.900 -0.979 0.000 1.291 276 G CA -0.236 44.182 45.100 -1.136 0.000 0.841 276 G HN 0.970 nan 8.290 nan 0.000 0.500 277 A N -0.163 122.181 122.820 -0.792 0.000 2.437 277 A HA 0.797 5.118 4.320 0.001 0.000 0.293 277 A C -0.647 176.924 177.584 -0.021 0.000 1.038 277 A CA -0.340 51.585 52.037 -0.186 0.000 0.708 277 A CB 0.844 19.954 19.000 0.184 0.000 1.251 277 A HN 1.940 nan 8.150 nan 0.000 0.409 278 I N -0.904 119.743 120.570 0.128 0.000 2.647 278 I HA 0.786 4.957 4.170 0.001 0.000 0.295 278 I C -0.513 175.686 176.117 0.137 0.000 1.078 278 I CA -0.596 60.786 61.300 0.137 0.000 1.048 278 I CB 2.450 40.533 38.000 0.138 0.000 1.239 278 I HN 0.316 nan 8.210 nan 0.000 0.421 279 S N 6.130 121.908 115.700 0.129 0.000 2.525 279 S HA 0.684 5.155 4.470 0.001 0.000 0.290 279 S C -0.358 174.308 174.600 0.109 0.000 1.152 279 S CA -0.719 57.556 58.200 0.127 0.000 1.072 279 S CB 1.406 64.676 63.200 0.118 0.000 1.027 279 S HN 0.612 nan 8.310 nan 0.000 0.500 280 M N 3.057 122.736 119.600 0.131 0.000 2.007 280 M HA 0.501 4.982 4.480 0.001 0.000 0.285 280 M C 0.491 176.877 176.300 0.143 0.000 0.893 280 M CA -0.253 55.108 55.300 0.101 0.000 0.925 280 M CB 1.132 33.761 32.600 0.048 0.000 1.568 280 M HN 0.980 nan 8.290 nan 0.000 0.414 281 G N 1.950 110.811 108.800 0.102 0.000 2.527 281 G HA2 -0.185 3.776 3.960 0.001 0.000 0.227 281 G HA3 -0.185 3.776 3.960 0.001 0.000 0.227 281 G C -0.262 174.686 174.900 0.079 0.000 1.291 281 G CA -0.070 45.091 45.100 0.101 0.000 0.904 281 G HN 0.627 nan 8.290 nan 0.000 0.577 282 D N 0.327 120.758 120.400 0.052 0.000 2.422 282 D HA 0.059 4.700 4.640 0.001 0.000 0.218 282 D C 1.737 177.980 176.300 -0.095 0.000 1.047 282 D CA 0.282 54.276 54.000 -0.010 0.000 0.885 282 D CB 0.074 40.859 40.800 -0.024 0.000 1.035 282 D HN 0.307 nan 8.370 nan 0.000 0.502 283 N N -0.284 118.343 118.700 -0.122 0.000 2.280 283 N HA 0.018 4.759 4.740 0.001 0.000 0.192 283 N C -0.453 174.667 175.510 -0.649 0.000 1.109 283 N CA 0.175 52.947 53.050 -0.464 0.000 0.855 283 N CB 0.676 38.867 38.487 -0.493 0.000 0.974 283 N HN 0.179 nan 8.380 nan 0.000 0.482 284 W N 0.582 121.816 121.300 -0.110 0.000 2.839 284 W HA 0.381 5.042 4.660 0.001 0.000 0.334 284 W C -0.836 175.666 176.519 -0.028 0.000 1.064 284 W CA -0.619 56.698 57.345 -0.047 0.000 1.236 284 W CB 1.438 30.907 29.460 0.015 0.000 1.405 284 W HN -0.266 nan 8.180 nan 0.000 0.478 285 D N 2.751 123.308 120.400 0.262 0.000 2.671 285 D HA 0.680 5.320 4.640 0.001 0.000 0.232 285 D C -1.073 175.344 176.300 0.195 0.000 1.114 285 D CA -0.642 53.458 54.000 0.166 0.000 0.858 285 D CB 2.070 42.905 40.800 0.058 0.000 1.544 285 D HN 0.414 nan 8.370 nan 0.000 0.471 286 M N 2.611 122.299 119.600 0.147 0.000 2.294 286 M HA 0.394 4.875 4.480 0.001 0.000 0.280 286 M C -1.932 174.451 176.300 0.137 0.000 1.085 286 M CA -0.566 54.825 55.300 0.152 0.000 0.969 286 M CB 1.524 34.229 32.600 0.175 0.000 1.770 286 M HN 0.381 nan 8.290 nan 0.000 0.485 287 M N 3.755 123.404 119.600 0.082 0.000 2.478 287 M HA 0.750 5.231 4.480 0.001 0.000 0.327 287 M C -1.494 174.898 176.300 0.154 0.000 1.187 287 M CA -0.792 54.518 55.300 0.015 0.000 1.022 287 M CB 1.322 33.855 32.600 -0.112 0.000 1.629 287 M HN 0.682 nan 8.290 nan 0.000 0.461 288 Y N -0.821 119.542 120.300 0.104 0.000 2.571 288 Y HA 0.847 5.398 4.550 0.001 0.000 0.341 288 Y C -1.665 174.352 175.900 0.194 0.000 1.076 288 Y CA -1.495 56.687 58.100 0.137 0.000 1.029 288 Y CB 0.970 39.483 38.460 0.087 0.000 1.308 288 Y HN 0.616 nan 8.280 nan 0.000 0.461 289 V N -0.012 120.094 119.914 0.319 0.000 2.925 289 V HA 1.032 5.153 4.120 0.001 0.000 0.311 289 V C -0.282 175.982 176.094 0.282 0.000 1.104 289 V CA -0.590 61.868 62.300 0.262 0.000 0.954 289 V CB 1.628 33.565 31.823 0.189 0.000 1.022 289 V HN 1.409 nan 8.190 nan 0.000 0.427 290 G N 2.438 111.370 108.800 0.221 0.000 2.711 290 G HA2 0.686 4.647 3.960 0.001 0.000 0.288 290 G HA3 0.686 4.647 3.960 0.001 0.000 0.288 290 G C -1.386 173.570 174.900 0.093 0.000 1.451 290 G CA -0.499 44.721 45.100 0.200 0.000 1.186 290 G HN 0.896 nan 8.290 nan 0.000 0.560 291 M N 2.570 122.172 119.600 0.002 0.000 2.470 291 M HA 0.698 5.179 4.480 0.001 0.000 0.285 291 M C -2.413 173.732 176.300 -0.259 0.000 1.213 291 M CA -1.110 54.080 55.300 -0.184 0.000 0.901 291 M CB 2.868 35.211 32.600 -0.429 0.000 1.718 291 M HN 0.576 nan 8.290 nan 0.000 0.469 292 Y N 3.055 123.060 120.300 -0.492 0.000 2.329 292 Y HA 0.514 5.065 4.550 0.001 0.000 0.328 292 Y C -1.654 173.919 175.900 -0.546 0.000 0.992 292 Y CA -0.307 57.316 58.100 -0.795 0.000 1.151 292 Y CB 1.464 39.276 38.460 -1.081 0.000 1.150 292 Y HN 0.734 nan 8.280 nan 0.000 0.450 293 Q N 5.101 124.249 119.800 -1.087 0.000 2.325 293 Q HA 0.306 4.647 4.340 0.001 0.000 0.270 293 Q C -1.963 173.601 176.000 -0.727 0.000 1.020 293 Q CA -0.772 54.614 55.803 -0.694 0.000 0.785 293 Q CB 1.466 30.045 28.738 -0.265 0.000 1.259 293 Q HN 0.815 nan 8.270 nan 0.000 0.452 294 D N 4.700 124.745 120.400 -0.591 0.000 2.453 294 D HA 0.333 4.974 4.640 0.001 0.000 0.238 294 D C -1.040 175.084 176.300 -0.293 0.000 1.088 294 D CA -0.320 53.450 54.000 -0.385 0.000 0.854 294 D CB 0.696 41.365 40.800 -0.218 0.000 1.076 294 D HN 0.509 nan 8.370 nan 0.000 0.533 295 I N 3.670 124.019 120.570 -0.367 0.000 2.306 295 I HA 0.263 4.434 4.170 0.001 0.000 0.288 295 I C -0.019 175.706 176.117 -0.654 0.000 1.036 295 I CA -0.645 60.299 61.300 -0.592 0.000 1.221 295 I CB 0.958 38.495 38.000 -0.772 0.000 1.385 295 I HN 0.332 nan 8.210 nan 0.000 0.472 296 N N 6.624 124.927 118.700 -0.662 0.000 2.546 296 N HA 0.260 5.001 4.740 0.001 0.000 0.238 296 N C -1.214 174.087 175.510 -0.348 0.000 0.984 296 N CA -0.565 52.202 53.050 -0.472 0.000 0.935 296 N CB 0.853 39.047 38.487 -0.490 0.000 1.122 296 N HN 0.349 nan 8.380 nan 0.000 0.510 297 W N 2.041 123.257 121.300 -0.139 0.000 2.512 297 W HA 0.263 4.924 4.660 0.002 0.000 0.335 297 W C 0.916 177.397 176.519 -0.063 0.000 1.088 297 W CA -0.774 56.512 57.345 -0.098 0.000 1.236 297 W CB 1.201 30.616 29.460 -0.073 0.000 1.307 297 W HN 0.533 nan 8.180 nan 0.000 0.567 298 D N 0.949 121.487 120.400 0.231 0.000 2.149 298 D HA -0.223 4.418 4.640 0.001 0.000 0.198 298 D C 1.650 177.993 176.300 0.073 0.000 0.990 298 D CA 1.718 55.784 54.000 0.110 0.000 0.839 298 D CB -0.205 40.636 40.800 0.067 0.000 0.948 298 D HN 0.365 nan 8.370 nan 0.000 0.460 299 N N 0.269 119.005 118.700 0.061 0.000 2.521 299 N HA -0.115 4.626 4.740 0.001 0.000 0.188 299 N C -0.263 175.277 175.510 0.050 0.000 1.146 299 N CA 0.681 53.740 53.050 0.015 0.000 0.893 299 N CB 0.023 38.468 38.487 -0.069 0.000 0.975 299 N HN -0.053 nan 8.380 nan 0.000 0.451 300 D N -2.085 118.376 120.400 0.101 0.000 3.079 300 D HA -0.197 4.444 4.640 0.001 0.000 0.214 300 D C -0.178 176.158 176.300 0.059 0.000 1.145 300 D CA 1.017 55.053 54.000 0.059 0.000 0.958 300 D CB -1.542 39.259 40.800 0.001 0.000 1.117 300 D HN 0.433 nan 8.370 nan 0.000 0.416 301 N N -0.403 118.409 118.700 0.187 0.000 2.238 301 N HA 0.275 5.016 4.740 0.001 0.000 0.222 301 N C 0.893 176.581 175.510 0.298 0.000 1.133 301 N CA 0.638 53.802 53.050 0.189 0.000 0.854 301 N CB 0.227 38.826 38.487 0.187 0.000 1.041 301 N HN 0.306 nan 8.380 nan 0.000 0.510 302 G N -0.755 108.147 108.800 0.169 0.000 2.479 302 G HA2 0.343 4.303 3.960 0.001 0.000 0.275 302 G HA3 0.343 4.303 3.960 0.001 0.000 0.275 302 G C -0.356 174.441 174.900 -0.170 0.000 1.421 302 G CA 0.268 45.233 45.100 -0.226 0.000 1.059 302 G HN 0.308 nan 8.290 nan 0.000 0.535 303 T N -2.879 111.546 114.554 -0.216 0.000 2.853 303 T HA 0.581 4.932 4.350 0.001 0.000 0.311 303 T C -1.090 173.560 174.700 -0.084 0.000 1.307 303 T CA -0.932 61.118 62.100 -0.082 0.000 1.019 303 T CB 2.294 71.183 68.868 0.034 0.000 1.264 303 T HN 0.540 nan 8.240 nan 0.000 0.497 304 K N 1.156 121.565 120.400 0.016 0.000 2.559 304 K HA 0.392 4.713 4.320 0.001 0.000 0.249 304 K C -1.819 174.854 176.600 0.122 0.000 0.958 304 K CA -0.618 55.660 56.287 -0.016 0.000 0.901 304 K CB 1.198 33.760 32.500 0.102 0.000 1.124 304 K HN 0.704 nan 8.250 nan 0.000 0.437 305 W N 5.956 127.091 121.300 -0.274 0.000 2.520 305 W HA 0.454 5.115 4.660 0.002 0.000 0.323 305 W C -1.827 174.529 176.519 -0.272 0.000 1.062 305 W CA -1.091 56.162 57.345 -0.152 0.000 1.215 305 W CB 0.680 30.042 29.460 -0.164 0.000 1.340 305 W HN 0.494 nan 8.180 nan 0.000 0.516 306 W N 5.226 126.596 121.300 0.117 0.000 2.683 306 W HA 0.533 5.194 4.660 0.001 0.000 0.329 306 W C -0.370 176.103 176.519 -0.077 0.000 1.037 306 W CA -0.451 56.910 57.345 0.026 0.000 1.232 306 W CB 2.137 31.739 29.460 0.238 0.000 1.390 306 W HN 0.288 nan 8.180 nan 0.000 0.465 307 T N 0.602 115.176 114.554 0.033 0.000 2.906 307 T HA 0.827 5.178 4.350 0.001 0.000 0.295 307 T C -0.764 174.098 174.700 0.270 0.000 1.061 307 T CA -0.989 61.197 62.100 0.144 0.000 1.000 307 T CB 1.664 70.520 68.868 -0.020 0.000 1.103 307 T HN 0.453 nan 8.240 nan 0.000 0.486 308 V N -1.999 118.129 119.914 0.357 0.000 2.924 308 V HA 0.998 5.119 4.120 0.001 0.000 0.300 308 V C -0.303 175.893 176.094 0.170 0.000 1.227 308 V CA -0.601 61.870 62.300 0.285 0.000 0.954 308 V CB 1.316 33.273 31.823 0.223 0.000 1.055 308 V HN 1.508 nan 8.190 nan 0.000 0.429 309 G N 2.706 111.613 108.800 0.178 0.000 2.646 309 G HA2 0.858 4.819 3.960 0.001 0.000 0.291 309 G HA3 0.858 4.819 3.960 0.001 0.000 0.291 309 G C -1.517 173.489 174.900 0.176 0.000 1.445 309 G CA -0.210 44.883 45.100 -0.011 0.000 0.814 309 G HN 1.834 nan 8.290 nan 0.000 0.495 310 I N -2.344 118.303 120.570 0.129 0.000 2.894 310 I HA 0.877 5.048 4.170 0.001 0.000 0.302 310 I C -0.855 175.362 176.117 0.166 0.000 1.188 310 I CA -1.474 59.934 61.300 0.181 0.000 1.014 310 I CB 2.802 40.880 38.000 0.130 0.000 1.242 310 I HN 0.541 nan 8.210 nan 0.000 0.430 311 R N 5.033 125.639 120.500 0.178 0.000 2.547 311 R HA 0.498 4.839 4.340 0.001 0.000 0.280 311 R C -2.883 173.513 176.300 0.160 0.000 1.630 311 R CA -1.443 54.755 56.100 0.163 0.000 1.470 311 R CB 1.388 31.781 30.300 0.155 0.000 1.178 311 R HN 0.468 nan 8.270 nan 0.000 0.591 312 P HA 0.117 nan 4.420 nan 0.000 0.279 312 P C -0.988 176.483 177.300 0.286 0.000 1.239 312 P CA -0.290 62.977 63.100 0.278 0.000 0.789 312 P CB 1.420 33.309 31.700 0.314 0.000 0.933 313 M N 4.412 124.175 119.600 0.272 0.000 2.259 313 M HA 0.358 4.839 4.480 0.001 0.000 0.304 313 M C -1.986 174.258 176.300 -0.093 0.000 1.019 313 M CA -1.059 54.295 55.300 0.090 0.000 0.922 313 M CB 1.782 34.388 32.600 0.011 0.000 1.600 313 M HN 0.305 nan 8.290 nan 0.000 0.433 314 Y N 5.438 125.459 120.300 -0.465 0.000 2.328 314 Y HA 0.432 4.982 4.550 0.002 0.000 0.333 314 Y C -0.939 174.461 175.900 -0.832 0.000 0.958 314 Y CA -0.720 56.752 58.100 -1.046 0.000 1.167 314 Y CB 1.030 38.659 38.460 -1.385 0.000 1.151 314 Y HN 0.522 nan 8.280 nan 0.000 0.470 315 K N 5.469 125.012 120.400 -1.428 0.000 2.273 315 K HA 0.080 4.401 4.320 0.001 0.000 0.287 315 K C -0.325 175.588 176.600 -1.145 0.000 1.089 315 K CA -0.342 55.357 56.287 -0.980 0.000 0.909 315 K CB 0.633 32.799 32.500 -0.557 0.000 1.123 315 K HN 0.799 nan 8.250 nan 0.000 0.473 316 W N 2.051 123.071 121.300 -0.466 0.000 2.476 316 W HA -0.041 4.620 4.660 0.002 0.000 0.281 316 W C 0.642 177.049 176.519 -0.186 0.000 1.230 316 W CA 0.360 57.560 57.345 -0.242 0.000 1.287 316 W CB 0.413 29.804 29.460 -0.115 0.000 1.108 316 W HN 0.398 nan 8.180 nan 0.000 0.567 317 T N -0.808 113.756 114.554 0.017 0.000 2.787 317 T HA 0.150 4.501 4.350 0.001 0.000 0.297 317 T C -2.019 172.650 174.700 -0.052 0.000 1.221 317 T CA -0.987 61.116 62.100 0.006 0.000 1.006 317 T CB 1.866 70.770 68.868 0.061 0.000 1.328 317 T HN -0.417 nan 8.240 nan 0.000 0.509 318 P HA 0.134 nan 4.420 nan 0.000 0.233 318 P C 0.901 178.192 177.300 -0.014 0.000 1.167 318 P CA 0.787 63.868 63.100 -0.033 0.000 0.770 318 P CB -0.053 31.640 31.700 -0.011 0.000 0.837 319 I N -5.745 114.830 120.570 0.007 0.000 4.240 319 I HA 0.431 4.602 4.170 0.001 0.000 0.331 319 I C 0.377 176.483 176.117 -0.018 0.000 1.381 319 I CA -0.384 60.937 61.300 0.034 0.000 1.136 319 I CB 0.318 38.378 38.000 0.101 0.000 1.137 319 I HN -0.233 nan 8.210 nan 0.000 0.411 320 M N 2.669 122.214 119.600 -0.092 0.000 2.327 320 M HA 0.641 5.122 4.480 0.001 0.000 0.298 320 M C -1.291 174.953 176.300 -0.092 0.000 1.065 320 M CA -0.150 54.982 55.300 -0.281 0.000 0.916 320 M CB 2.038 34.415 32.600 -0.373 0.000 1.630 320 M HN 0.303 nan 8.290 nan 0.000 0.442 321 S N 1.984 117.609 115.700 -0.124 0.000 2.705 321 S HA 0.733 5.204 4.470 0.001 0.000 0.280 321 S C -1.025 173.652 174.600 0.129 0.000 1.174 321 S CA -0.795 57.447 58.200 0.069 0.000 0.823 321 S CB 2.198 65.340 63.200 -0.096 0.000 1.162 321 S HN 0.641 nan 8.310 nan 0.000 0.487 322 T N 1.362 116.062 114.554 0.244 0.000 2.815 322 T HA 0.630 4.980 4.350 0.001 0.000 0.289 322 T C -0.778 174.019 174.700 0.162 0.000 1.000 322 T CA -0.411 61.840 62.100 0.251 0.000 0.958 322 T CB 1.047 70.184 68.868 0.448 0.000 0.944 322 T HN 0.570 nan 8.240 nan 0.000 0.442 323 V N 4.858 124.859 119.914 0.145 0.000 2.630 323 V HA 0.682 4.803 4.120 0.001 0.000 0.305 323 V C -0.040 176.162 176.094 0.181 0.000 1.046 323 V CA -0.945 61.442 62.300 0.145 0.000 0.934 323 V CB 1.818 33.714 31.823 0.121 0.000 1.003 323 V HN 0.900 nan 8.190 nan 0.000 0.451 324 M N 3.295 123.007 119.600 0.187 0.000 2.446 324 M HA 0.659 5.140 4.480 0.001 0.000 0.294 324 M C -1.319 175.088 176.300 0.180 0.000 1.158 324 M CA -0.343 55.071 55.300 0.191 0.000 0.899 324 M CB 2.413 35.128 32.600 0.191 0.000 1.687 324 M HN 0.811 nan 8.290 nan 0.000 0.455 325 E N 4.444 124.754 120.200 0.183 0.000 2.234 325 E HA 0.624 4.975 4.350 0.001 0.000 0.266 325 E C -1.921 174.766 176.600 0.145 0.000 0.877 325 E CA -0.631 55.873 56.400 0.174 0.000 0.758 325 E CB 2.015 31.840 29.700 0.208 0.000 1.170 325 E HN 0.798 nan 8.360 nan 0.000 0.415 326 I N 3.308 123.923 120.570 0.075 0.000 2.468 326 I HA 0.501 4.672 4.170 0.001 0.000 0.285 326 I C -0.025 175.981 176.117 -0.184 0.000 1.039 326 I CA -0.688 60.627 61.300 0.024 0.000 1.074 326 I CB 2.076 40.097 38.000 0.036 0.000 1.228 326 I HN 0.545 nan 8.210 nan 0.000 0.436 327 G N 4.581 113.198 108.800 -0.306 0.000 2.571 327 G HA2 0.608 4.569 3.960 0.001 0.000 0.304 327 G HA3 0.608 4.569 3.960 0.001 0.000 0.304 327 G C -2.281 172.501 174.900 -0.198 0.000 1.314 327 G CA -0.478 44.063 45.100 -0.931 0.000 0.975 327 G HN 0.433 nan 8.290 nan 0.000 0.485 328 Y N 1.116 121.298 120.300 -0.196 0.000 2.373 328 Y HA 0.533 5.083 4.550 0.001 0.000 0.336 328 Y C -1.096 174.966 175.900 0.271 0.000 0.979 328 Y CA -0.970 57.200 58.100 0.117 0.000 1.080 328 Y CB 2.052 40.572 38.460 0.100 0.000 1.190 328 Y HN 0.439 nan 8.280 nan 0.000 0.446 329 D N 4.726 124.848 120.400 -0.463 0.000 2.457 329 D HA 0.256 4.897 4.640 0.001 0.000 0.240 329 D C -1.432 174.595 176.300 -0.454 0.000 1.041 329 D CA -0.547 53.340 54.000 -0.188 0.000 0.861 329 D CB 2.128 43.010 40.800 0.137 0.000 1.394 329 D HN 0.587 nan 8.370 nan 0.000 0.473 330 N N 1.648 120.367 118.700 0.032 0.000 2.549 330 N HA 0.228 4.968 4.740 0.001 0.000 0.290 330 N C -1.884 173.867 175.510 0.402 0.000 1.122 330 N CA -0.299 52.856 53.050 0.176 0.000 0.885 330 N CB 1.756 40.417 38.487 0.291 0.000 1.455 330 N HN 0.044 nan 8.380 nan 0.000 0.521 331 V N 2.256 122.355 119.914 0.307 0.000 2.487 331 V HA 0.450 4.571 4.120 0.001 0.000 0.298 331 V C 0.089 176.458 176.094 0.459 0.000 1.028 331 V CA -0.834 61.680 62.300 0.355 0.000 0.860 331 V CB 1.787 33.731 31.823 0.202 0.000 0.991 331 V HN 0.591 nan 8.190 nan 0.000 0.427 332 E N 2.431 122.861 120.200 0.383 0.000 2.166 332 E HA 0.412 4.763 4.350 0.001 0.000 0.275 332 E C -0.430 176.177 176.600 0.013 0.000 0.941 332 E CA -0.378 56.180 56.400 0.265 0.000 0.784 332 E CB 1.685 31.508 29.700 0.205 0.000 1.115 332 E HN 0.682 nan 8.360 nan 0.000 0.399 333 S N 3.211 118.645 115.700 -0.443 0.000 2.488 333 S HA -0.048 4.422 4.470 0.001 0.000 0.278 333 S C 0.974 175.309 174.600 -0.441 0.000 1.259 333 S CA 0.075 57.735 58.200 -0.900 0.000 1.061 333 S CB 1.109 63.338 63.200 -1.618 0.000 0.910 333 S HN 0.737 nan 8.310 nan 0.000 0.491 334 Q N 4.384 123.995 119.800 -0.315 0.000 2.084 334 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 334 Q C 2.215 178.102 176.000 -0.188 0.000 0.978 334 Q CA 1.404 57.100 55.803 -0.179 0.000 0.844 334 Q CB -0.067 28.599 28.738 -0.119 0.000 0.898 334 Q HN 0.831 nan 8.270 nan 0.000 0.426 335 R N -0.480 119.865 120.500 -0.257 0.000 2.066 335 R HA -0.108 4.233 4.340 0.001 0.000 0.232 335 R C 2.082 178.236 176.300 -0.244 0.000 1.131 335 R CA 1.940 57.903 56.100 -0.229 0.000 0.955 335 R CB -0.161 29.986 30.300 -0.254 0.000 0.851 335 R HN 0.389 nan 8.270 nan 0.000 0.432 336 T N -4.259 110.088 114.554 -0.346 0.000 3.023 336 T HA 0.227 4.578 4.350 0.001 0.000 0.253 336 T C 1.242 175.821 174.700 -0.201 0.000 1.038 336 T CA 0.569 62.508 62.100 -0.269 0.000 0.962 336 T CB 0.875 69.560 68.868 -0.305 0.000 1.018 336 T HN 0.445 nan 8.240 nan 0.000 0.521 337 G N 1.490 110.159 108.800 -0.218 0.000 2.189 337 G HA2 -0.239 3.722 3.960 0.001 0.000 0.267 337 G HA3 -0.239 3.722 3.960 0.001 0.000 0.267 337 G C -0.099 174.758 174.900 -0.073 0.000 0.975 337 G CA 0.369 45.401 45.100 -0.113 0.000 0.644 337 G HN 0.621 nan 8.290 nan 0.000 0.537 338 D N 0.319 120.642 120.400 -0.128 0.000 2.384 338 D HA 0.478 5.119 4.640 0.001 0.000 0.244 338 D C 0.565 176.987 176.300 0.204 0.000 1.251 338 D CA 0.367 54.395 54.000 0.047 0.000 0.961 338 D CB 0.517 41.397 40.800 0.132 0.000 1.116 338 D HN 0.307 nan 8.370 nan 0.000 0.484 339 K N 1.011 121.621 120.400 0.350 0.000 2.482 339 K HA 0.337 4.658 4.320 0.001 0.000 0.251 339 K C -0.947 175.835 176.600 0.303 0.000 0.936 339 K CA -0.774 55.744 56.287 0.384 0.000 0.791 339 K CB 1.697 34.350 32.500 0.256 0.000 1.213 339 K HN 0.200 nan 8.250 nan 0.000 0.428 340 N N 2.877 121.708 118.700 0.219 0.000 2.399 340 N HA 0.331 5.072 4.740 0.001 0.000 0.295 340 N C -1.225 174.317 175.510 0.053 0.000 1.048 340 N CA -0.576 52.467 53.050 -0.011 0.000 0.886 340 N CB 1.249 39.528 38.487 -0.346 0.000 1.185 340 N HN 0.719 nan 8.380 nan 0.000 0.487 341 N N 0.220 118.955 118.700 0.058 0.000 2.494 341 N HA 0.386 5.127 4.740 0.001 0.000 0.270 341 N C -1.520 174.015 175.510 0.041 0.000 1.285 341 N CA -0.608 52.457 53.050 0.026 0.000 0.812 341 N CB 2.809 41.365 38.487 0.115 0.000 1.557 341 N HN 0.460 nan 8.380 nan 0.000 0.487 342 Q N 0.330 120.097 119.800 -0.055 0.000 2.472 342 Q HA 0.332 4.673 4.340 0.001 0.000 0.281 342 Q C -2.197 173.879 176.000 0.127 0.000 0.997 342 Q CA -0.804 55.027 55.803 0.047 0.000 0.828 342 Q CB 2.107 30.878 28.738 0.054 0.000 1.443 342 Q HN 0.697 nan 8.270 nan 0.000 0.390 343 Y N 0.350 120.755 120.300 0.176 0.000 2.406 343 Y HA 0.689 5.240 4.550 0.002 0.000 0.340 343 Y C -1.669 174.328 175.900 0.160 0.000 0.975 343 Y CA -0.937 57.294 58.100 0.218 0.000 1.056 343 Y CB 1.591 40.242 38.460 0.319 0.000 1.210 343 Y HN 0.500 nan 8.280 nan 0.000 0.448 344 K N 4.792 125.407 120.400 0.358 0.000 2.259 344 K HA 0.750 5.071 4.320 0.001 0.000 0.252 344 K C -1.902 174.904 176.600 0.342 0.000 0.936 344 K CA -0.923 55.541 56.287 0.296 0.000 0.810 344 K CB 1.568 34.231 32.500 0.272 0.000 1.143 344 K HN 0.940 nan 8.250 nan 0.000 0.427 345 I N 2.260 123.062 120.570 0.387 0.000 2.512 345 I HA 0.217 4.388 4.170 0.001 0.000 0.287 345 I C -0.789 175.531 176.117 0.340 0.000 1.069 345 I CA -0.430 61.071 61.300 0.334 0.000 1.056 345 I CB 2.374 40.584 38.000 0.351 0.000 1.229 345 I HN 0.474 nan 8.210 nan 0.000 0.429 346 T N 6.467 121.193 114.554 0.287 0.000 2.863 346 T HA 0.558 4.909 4.350 0.001 0.000 0.285 346 T C -1.006 173.860 174.700 0.278 0.000 1.009 346 T CA -0.588 61.700 62.100 0.312 0.000 0.989 346 T CB 1.966 70.993 68.868 0.266 0.000 1.004 346 T HN 0.248 nan 8.240 nan 0.000 0.455 347 L N 2.680 124.088 121.223 0.310 0.000 2.376 347 L HA 0.816 5.157 4.340 0.001 0.000 0.275 347 L C -0.967 176.086 176.870 0.305 0.000 0.987 347 L CA -0.557 54.441 54.840 0.262 0.000 0.828 347 L CB 1.022 43.213 42.059 0.219 0.000 1.249 347 L HN 0.891 nan 8.230 nan 0.000 0.409 348 A N 4.175 127.156 122.820 0.268 0.000 2.435 348 A HA 0.696 5.017 4.320 0.001 0.000 0.304 348 A C -1.212 176.486 177.584 0.190 0.000 1.064 348 A CA -0.559 51.650 52.037 0.286 0.000 0.727 348 A CB 1.997 21.185 19.000 0.315 0.000 1.284 348 A HN 0.589 nan 8.150 nan 0.000 0.415 349 Q N 1.066 120.966 119.800 0.166 0.000 2.348 349 Q HA 0.506 4.847 4.340 0.001 0.000 0.265 349 Q C -0.459 175.514 176.000 -0.045 0.000 0.998 349 Q CA -0.147 55.658 55.803 0.004 0.000 0.831 349 Q CB 1.016 29.748 28.738 -0.010 0.000 1.251 349 Q HN 0.794 nan 8.270 nan 0.000 0.456 350 Q N 2.253 121.935 119.800 -0.196 0.000 2.496 350 Q HA 0.598 4.939 4.340 0.001 0.000 0.286 350 Q C -1.121 174.666 176.000 -0.355 0.000 1.103 350 Q CA -0.866 54.891 55.803 -0.076 0.000 0.813 350 Q CB 1.817 30.616 28.738 0.101 0.000 1.444 350 Q HN 0.568 nan 8.270 nan 0.000 0.443 351 W N 2.488 123.827 121.300 0.065 0.000 2.554 351 W HA 0.283 4.944 4.660 0.001 0.000 0.324 351 W C -0.733 175.801 176.519 0.024 0.000 1.018 351 W CA -0.504 56.867 57.345 0.044 0.000 1.243 351 W CB 2.213 31.695 29.460 0.036 0.000 1.345 351 W HN 0.757 nan 8.180 nan 0.000 0.441 352 Q N 1.244 121.135 119.800 0.151 0.000 2.433 352 Q HA 0.650 4.991 4.340 0.001 0.000 0.279 352 Q C -0.757 175.282 176.000 0.066 0.000 1.105 352 Q CA -0.848 55.005 55.803 0.084 0.000 0.815 352 Q CB 1.889 30.641 28.738 0.023 0.000 1.403 352 Q HN 0.418 nan 8.270 nan 0.000 0.435 353 A N 0.762 123.603 122.820 0.036 0.000 3.063 353 A HA 0.608 4.929 4.320 0.001 0.000 0.263 353 A C 0.442 178.043 177.584 0.029 0.000 1.736 353 A CA 0.611 52.668 52.037 0.034 0.000 1.408 353 A CB -1.278 17.734 19.000 0.020 0.000 1.108 353 A HN 1.118 nan 8.150 nan 0.000 0.621 354 G N 0.272 109.091 108.800 0.032 0.000 2.356 354 G HA2 0.330 4.291 3.960 0.001 0.000 0.300 354 G HA3 0.330 4.291 3.960 0.001 0.000 0.300 354 G C -0.512 174.399 174.900 0.018 0.000 1.331 354 G CA 0.076 45.195 45.100 0.031 0.000 0.905 354 G HN 0.403 nan 8.290 nan 0.000 0.587 355 D N -1.099 119.312 120.400 0.018 0.000 2.398 355 D HA 0.354 4.995 4.640 0.001 0.000 0.210 355 D C 0.929 177.230 176.300 0.003 0.000 1.094 355 D CA 0.452 54.446 54.000 -0.010 0.000 0.839 355 D CB 0.818 41.608 40.800 -0.016 0.000 0.963 355 D HN 0.429 nan 8.370 nan 0.000 0.506 356 S N -0.245 115.483 115.700 0.047 0.000 2.687 356 S HA 0.390 4.861 4.470 0.001 0.000 0.283 356 S C 0.874 175.497 174.600 0.039 0.000 1.170 356 S CA -0.795 57.459 58.200 0.090 0.000 1.008 356 S CB 0.953 64.276 63.200 0.205 0.000 1.026 356 S HN 0.212 nan 8.310 nan 0.000 0.541 357 I N 1.628 122.192 120.570 -0.011 0.000 3.001 357 I HA 0.050 4.221 4.170 0.001 0.000 0.268 357 I C 0.281 176.248 176.117 -0.251 0.000 1.267 357 I CA 0.805 62.008 61.300 -0.161 0.000 1.472 357 I CB 0.107 37.955 38.000 -0.253 0.000 1.089 357 I HN 0.730 nan 8.210 nan 0.000 0.468 358 W N 0.145 121.487 121.300 0.070 0.000 3.278 358 W HA 0.229 4.889 4.660 0.001 0.000 0.308 358 W C 1.109 177.638 176.519 0.017 0.000 1.253 358 W CA -0.455 56.959 57.345 0.116 0.000 1.759 358 W CB 0.078 29.656 29.460 0.197 0.000 1.093 358 W HN -0.125 nan 8.180 nan 0.000 0.648 359 S N 2.166 117.946 115.700 0.133 0.000 2.528 359 S HA 0.387 4.858 4.470 0.001 0.000 0.277 359 S C 0.275 174.775 174.600 -0.166 0.000 1.297 359 S CA -0.247 57.961 58.200 0.014 0.000 1.052 359 S CB 0.517 63.732 63.200 0.024 0.000 0.917 359 S HN -0.006 nan 8.310 nan 0.000 0.492 360 R N 2.551 122.886 120.500 -0.275 0.000 2.725 360 R HA 0.503 4.844 4.340 0.001 0.000 0.277 360 R C -2.897 173.300 176.300 -0.173 0.000 0.987 360 R CA -2.171 53.701 56.100 -0.380 0.000 0.901 360 R CB 1.014 30.762 30.300 -0.920 0.000 1.207 360 R HN 0.390 nan 8.270 nan 0.000 0.463 361 P HA 0.310 nan 4.420 nan 0.000 0.274 361 P C -1.140 176.131 177.300 -0.048 0.000 1.231 361 P CA -0.390 62.658 63.100 -0.087 0.000 0.790 361 P CB 0.919 32.593 31.700 -0.043 0.000 0.951 362 A N 2.512 125.319 122.820 -0.022 0.000 2.393 362 A HA 0.702 5.023 4.320 0.001 0.000 0.306 362 A C -0.676 176.976 177.584 0.113 0.000 1.050 362 A CA -0.769 51.300 52.037 0.053 0.000 0.724 362 A CB 0.982 19.998 19.000 0.028 0.000 1.248 362 A HN 0.457 nan 8.150 nan 0.000 0.424 363 I N 2.243 122.936 120.570 0.205 0.000 2.410 363 I HA 0.406 4.577 4.170 0.001 0.000 0.286 363 I C -0.122 176.215 176.117 0.366 0.000 1.009 363 I CA -0.401 61.036 61.300 0.229 0.000 1.111 363 I CB 1.810 39.910 38.000 0.167 0.000 1.262 363 I HN 0.717 nan 8.210 nan 0.000 0.443 364 R N 4.551 125.249 120.500 0.330 0.000 2.732 364 R HA 0.790 5.131 4.340 0.001 0.000 0.278 364 R C -1.193 175.361 176.300 0.423 0.000 0.976 364 R CA -0.833 55.502 56.100 0.392 0.000 0.963 364 R CB 2.565 33.088 30.300 0.371 0.000 1.150 364 R HN 0.271 nan 8.270 nan 0.000 0.478 365 V N 4.005 124.173 119.914 0.423 0.000 2.482 365 V HA 0.493 4.614 4.120 0.001 0.000 0.295 365 V C -1.142 175.146 176.094 0.323 0.000 1.026 365 V CA -0.567 61.921 62.300 0.314 0.000 0.856 365 V CB 0.838 32.852 31.823 0.319 0.000 1.001 365 V HN 0.685 nan 8.190 nan 0.000 0.424 366 F N 3.021 123.147 119.950 0.294 0.000 2.675 366 F HA 1.037 5.565 4.527 0.001 0.000 0.324 366 F C -0.316 175.708 175.800 0.373 0.000 1.106 366 F CA -1.443 56.733 58.000 0.294 0.000 0.970 366 F CB 1.898 41.062 39.000 0.272 0.000 1.385 366 F HN 0.529 nan 8.300 nan 0.000 0.489 367 A N 0.886 124.075 122.820 0.614 0.000 2.427 367 A HA 0.729 5.050 4.320 0.001 0.000 0.298 367 A C -1.201 176.812 177.584 0.715 0.000 1.036 367 A CA -0.576 51.845 52.037 0.640 0.000 0.701 367 A CB 1.299 20.572 19.000 0.455 0.000 1.250 367 A HN 0.837 nan 8.150 nan 0.000 0.412 368 T N 1.462 116.491 114.554 0.791 0.000 2.887 368 T HA 0.616 4.967 4.350 0.001 0.000 0.288 368 T C -1.542 173.563 174.700 0.675 0.000 1.021 368 T CA -0.124 62.366 62.100 0.649 0.000 1.000 368 T CB 1.114 70.339 68.868 0.595 0.000 1.034 368 T HN 0.625 nan 8.240 nan 0.000 0.467 369 Y N 1.679 122.220 120.300 0.401 0.000 2.373 369 Y HA 0.650 5.201 4.550 0.001 0.000 0.336 369 Y C -1.134 174.853 175.900 0.145 0.000 0.979 369 Y CA -0.866 57.415 58.100 0.301 0.000 1.080 369 Y CB 0.993 39.605 38.460 0.253 0.000 1.190 369 Y HN 0.810 nan 8.280 nan 0.000 0.446 370 A N 5.797 128.148 122.820 -0.781 0.000 2.371 370 A HA 0.744 5.065 4.320 0.001 0.000 0.311 370 A C -1.622 175.376 177.584 -0.977 0.000 1.068 370 A CA -0.952 50.640 52.037 -0.741 0.000 0.744 370 A CB 1.387 19.967 19.000 -0.701 0.000 1.239 370 A HN 0.696 nan 8.150 nan 0.000 0.435 371 K N 1.945 121.820 120.400 -0.876 0.000 2.507 371 K HA 0.624 4.945 4.320 0.001 0.000 0.252 371 K C -1.252 175.062 176.600 -0.476 0.000 0.943 371 K CA -0.377 55.410 56.287 -0.832 0.000 0.808 371 K CB 0.901 32.930 32.500 -0.785 0.000 1.142 371 K HN 0.865 nan 8.250 nan 0.000 0.426 372 W N 1.650 122.742 121.300 -0.347 0.000 2.929 372 W HA 0.696 5.357 4.660 0.001 0.000 0.345 372 W C -1.247 175.208 176.519 -0.107 0.000 1.151 372 W CA -0.833 56.390 57.345 -0.204 0.000 1.111 372 W CB 1.139 30.492 29.460 -0.177 0.000 1.449 372 W HN 0.498 nan 8.180 nan 0.000 0.572 373 D N 0.945 121.442 120.400 0.162 0.000 2.319 373 D HA 0.154 4.795 4.640 0.001 0.000 0.237 373 D C -1.292 175.091 176.300 0.138 0.000 1.353 373 D CA -0.256 53.804 54.000 0.100 0.000 0.992 373 D CB 0.910 41.748 40.800 0.064 0.000 1.368 373 D HN 0.493 nan 8.370 nan 0.000 0.564 374 E N 2.535 122.828 120.200 0.155 0.000 2.156 374 E HA 0.286 4.637 4.350 0.001 0.000 0.279 374 E C 0.188 176.826 176.600 0.062 0.000 0.965 374 E CA -0.517 55.905 56.400 0.038 0.000 0.789 374 E CB 2.288 31.966 29.700 -0.036 0.000 1.098 374 E HN 0.268 nan 8.360 nan 0.000 0.397 375 K N 2.795 123.250 120.400 0.092 0.000 2.399 375 K HA 0.133 4.454 4.320 0.001 0.000 0.204 375 K C -0.397 176.383 176.600 0.299 0.000 1.023 375 K CA -0.103 56.293 56.287 0.182 0.000 1.127 375 K CB 0.561 33.174 32.500 0.188 0.000 0.856 375 K HN 0.526 nan 8.250 nan 0.000 0.514 376 W N -1.256 120.052 121.300 0.014 0.000 3.059 376 W HA 0.589 5.250 4.660 0.001 0.000 0.329 376 W C -1.216 175.269 176.519 -0.057 0.000 1.246 376 W CA -1.000 56.317 57.345 -0.047 0.000 1.190 376 W CB 0.382 29.766 29.460 -0.127 0.000 1.423 376 W HN -0.071 nan 8.180 nan 0.000 0.571 377 G N 0.301 109.276 108.800 0.291 0.000 2.645 377 G HA2 0.616 4.577 3.960 0.001 0.000 0.292 377 G HA3 0.616 4.577 3.960 0.001 0.000 0.292 377 G C -2.789 172.168 174.900 0.094 0.000 1.415 377 G CA -1.003 44.135 45.100 0.064 0.000 0.785 377 G HN 0.470 nan 8.290 nan 0.000 0.483 378 Y N 0.019 120.412 120.300 0.154 0.000 2.334 378 Y HA 0.431 4.982 4.550 0.001 0.000 0.328 378 Y C 0.063 175.830 175.900 -0.221 0.000 1.130 378 Y CA -0.412 57.628 58.100 -0.101 0.000 1.163 378 Y CB 1.803 40.131 38.460 -0.220 0.000 1.207 378 Y HN 0.376 nan 8.280 nan 0.000 0.471 379 D N 1.856 122.059 120.400 -0.328 0.000 2.365 379 D HA 0.091 4.732 4.640 0.001 0.000 0.237 379 D C -0.919 175.031 176.300 -0.583 0.000 1.190 379 D CA 0.105 53.962 54.000 -0.238 0.000 0.867 379 D CB 0.104 40.699 40.800 -0.341 0.000 1.050 379 D HN 0.436 nan 8.370 nan 0.000 0.491 380 Y N 1.360 121.625 120.300 -0.057 0.000 2.706 380 Y HA 0.120 4.671 4.550 0.001 0.000 0.255 380 Y C 1.011 176.996 175.900 0.140 0.000 1.163 380 Y CA -0.490 57.417 58.100 -0.322 0.000 1.174 380 Y CB 0.114 38.454 38.460 -0.200 0.000 1.200 380 Y HN 0.227 nan 8.280 nan 0.000 0.544 381 T N -2.320 112.432 114.554 0.330 0.000 2.882 381 T HA 0.610 4.961 4.350 0.001 0.000 0.287 381 T C 1.094 176.031 174.700 0.396 0.000 1.014 381 T CA 0.243 62.544 62.100 0.335 0.000 1.049 381 T CB 1.437 70.484 68.868 0.299 0.000 1.001 381 T HN 0.644 nan 8.240 nan 0.000 0.525 382 G N 1.722 110.680 108.800 0.264 0.000 2.512 382 G HA2 -0.223 3.738 3.960 0.001 0.000 0.254 382 G HA3 -0.223 3.738 3.960 0.001 0.000 0.254 382 G C -0.376 174.571 174.900 0.078 0.000 1.199 382 G CA 0.089 45.288 45.100 0.165 0.000 0.941 382 G HN 1.150 nan 8.290 nan 0.000 0.569 383 N N -0.713 117.898 118.700 -0.148 0.000 2.405 383 N HA 0.553 5.294 4.740 0.001 0.000 0.285 383 N C 1.142 176.166 175.510 -0.810 0.000 1.262 383 N CA -0.068 52.707 53.050 -0.457 0.000 0.773 383 N CB 1.641 39.903 38.487 -0.375 0.000 1.490 383 N HN 1.069 nan 8.380 nan 0.000 0.486 384 A N 0.401 122.620 122.820 -1.001 0.000 2.067 384 A HA -0.127 4.193 4.320 0.001 0.000 0.219 384 A C 1.435 178.766 177.584 -0.421 0.000 1.158 384 A CA 1.470 53.046 52.037 -0.769 0.000 0.661 384 A CB -0.280 18.504 19.000 -0.361 0.000 0.801 384 A HN 0.781 nan 8.150 nan 0.000 0.452 385 D N -0.269 119.718 120.400 -0.688 0.000 2.144 385 D HA -0.078 4.563 4.640 0.001 0.000 0.207 385 D C 1.756 177.863 176.300 -0.321 0.000 0.970 385 D CA 1.000 54.640 54.000 -0.600 0.000 0.853 385 D CB -0.140 39.887 40.800 -1.288 0.000 1.007 385 D HN 0.279 nan 8.370 nan 0.000 0.469 386 N N 0.712 119.229 118.700 -0.305 0.000 2.039 386 N HA -0.123 4.617 4.740 0.001 0.000 0.193 386 N C 0.668 176.136 175.510 -0.069 0.000 1.044 386 N CA 0.715 53.681 53.050 -0.139 0.000 0.847 386 N CB -0.785 37.649 38.487 -0.088 0.000 1.030 386 N HN 0.154 nan 8.380 nan 0.000 0.422 387 N N 0.370 119.038 118.700 -0.053 0.000 2.514 387 N HA 0.266 5.007 4.740 0.001 0.000 0.277 387 N C -0.183 175.347 175.510 0.033 0.000 1.126 387 N CA 0.002 53.086 53.050 0.056 0.000 0.978 387 N CB 1.352 39.977 38.487 0.229 0.000 1.106 387 N HN 0.163 nan 8.380 nan 0.000 0.461 388 A N 3.023 125.872 122.820 0.048 0.000 2.382 388 A HA 0.175 4.496 4.320 0.001 0.000 0.228 388 A C 0.977 178.580 177.584 0.031 0.000 1.217 388 A CA -0.033 52.019 52.037 0.026 0.000 0.923 388 A CB 0.061 19.069 19.000 0.014 0.000 0.979 388 A HN 0.622 nan 8.150 nan 0.000 0.515 389 N N -0.816 117.909 118.700 0.042 0.000 2.235 389 N HA 0.209 4.950 4.740 0.001 0.000 0.209 389 N C -0.446 175.019 175.510 -0.075 0.000 1.122 389 N CA -0.355 52.674 53.050 -0.035 0.000 0.845 389 N CB -0.346 38.107 38.487 -0.058 0.000 1.004 389 N HN 0.392 nan 8.380 nan 0.000 0.499 390 F N 0.903 120.757 119.950 -0.159 0.000 2.571 390 F HA 0.247 4.775 4.527 0.002 0.000 0.390 390 F C 1.586 177.211 175.800 -0.293 0.000 1.043 390 F CA 0.944 58.805 58.000 -0.233 0.000 1.164 390 F CB 0.042 38.870 39.000 -0.288 0.000 1.049 390 F HN 0.275 nan 8.300 nan 0.000 0.552 391 G N 3.860 112.109 108.800 -0.918 0.000 2.157 391 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 391 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 391 G C 0.195 174.959 174.900 -0.226 0.000 0.979 391 G CA -0.087 44.611 45.100 -0.670 0.000 0.650 391 G HN 0.583 nan 8.290 nan 0.000 0.529 392 K N 0.425 120.686 120.400 -0.231 0.000 2.098 392 K HA 0.715 5.036 4.320 0.001 0.000 0.258 392 K C 0.586 177.061 176.600 -0.208 0.000 0.973 392 K CA -0.068 56.138 56.287 -0.135 0.000 0.898 392 K CB 1.801 34.182 32.500 -0.198 0.000 1.057 392 K HN 0.510 nan 8.250 nan 0.000 0.447 393 A N 1.602 124.266 122.820 -0.259 0.000 2.477 393 A HA 0.344 4.665 4.320 0.001 0.000 0.246 393 A C -0.346 176.945 177.584 -0.488 0.000 1.078 393 A CA -0.160 51.593 52.037 -0.473 0.000 0.770 393 A CB 0.400 18.924 19.000 -0.793 0.000 1.011 393 A HN 0.405 nan 8.150 nan 0.000 0.494 394 V N 4.697 124.336 119.914 -0.458 0.000 2.932 394 V HA 0.452 4.573 4.120 0.001 0.000 0.307 394 V C -2.374 173.531 176.094 -0.315 0.000 1.147 394 V CA -1.481 60.416 62.300 -0.672 0.000 0.951 394 V CB 2.728 33.808 31.823 -1.238 0.000 1.031 394 V HN 0.883 nan 8.190 nan 0.000 0.426 395 P HA 0.092 nan 4.420 nan 0.000 0.269 395 P C 0.588 178.019 177.300 0.219 0.000 1.217 395 P CA 0.362 63.507 63.100 0.073 0.000 0.783 395 P CB 0.830 32.589 31.700 0.098 0.000 0.898 396 A N 2.737 125.716 122.820 0.266 0.000 1.958 396 A HA -0.235 4.086 4.320 0.001 0.000 0.221 396 A C 1.338 179.155 177.584 0.387 0.000 1.178 396 A CA 2.492 54.716 52.037 0.313 0.000 0.642 396 A CB -1.314 17.811 19.000 0.207 0.000 0.816 396 A HN 0.668 nan 8.150 nan 0.000 0.453 397 D N -2.569 118.022 120.400 0.318 0.000 2.363 397 D HA 0.117 4.758 4.640 0.001 0.000 0.214 397 D C 0.389 176.900 176.300 0.351 0.000 1.093 397 D CA -0.706 53.467 54.000 0.288 0.000 0.837 397 D CB -0.825 40.079 40.800 0.173 0.000 0.948 397 D HN 0.253 nan 8.370 nan 0.000 0.507 398 F N 2.811 122.879 119.950 0.197 0.000 2.537 398 F HA -0.076 4.452 4.527 0.002 0.000 0.402 398 F C 0.878 176.777 175.800 0.164 0.000 1.005 398 F CA 0.321 58.365 58.000 0.073 0.000 1.203 398 F CB 0.016 38.895 39.000 -0.202 0.000 0.955 398 F HN -0.015 nan 8.300 nan 0.000 0.547 399 N N 4.351 122.764 118.700 -0.478 0.000 2.716 399 N HA -0.228 4.513 4.740 0.001 0.000 0.250 399 N C 1.139 176.591 175.510 -0.096 0.000 1.033 399 N CA 1.269 54.059 53.050 -0.432 0.000 0.727 399 N CB -1.201 36.839 38.487 -0.745 0.000 0.950 399 N HN 1.296 nan 8.380 nan 0.000 0.541 400 G N -2.404 106.399 108.800 0.004 0.000 2.328 400 G HA2 -0.330 3.631 3.960 0.001 0.000 0.256 400 G HA3 -0.330 3.631 3.960 0.001 0.000 0.256 400 G C 0.805 175.755 174.900 0.084 0.000 1.014 400 G CA 1.133 46.258 45.100 0.042 0.000 0.620 400 G HN 0.869 nan 8.290 nan 0.000 0.530 401 G N -0.261 108.632 108.800 0.155 0.000 2.485 401 G HA2 0.634 4.595 3.960 0.001 0.000 0.260 401 G HA3 0.634 4.595 3.960 0.001 0.000 0.260 401 G C 0.311 175.248 174.900 0.062 0.000 1.459 401 G CA 1.176 46.335 45.100 0.099 0.000 1.060 401 G HN 1.920 nan 8.290 nan 0.000 0.546 402 S N -1.607 113.908 115.700 -0.308 0.000 2.566 402 S HA 0.672 5.143 4.470 0.001 0.000 0.273 402 S C -1.444 172.729 174.600 -0.712 0.000 1.157 402 S CA -0.846 57.209 58.200 -0.243 0.000 0.938 402 S CB 1.325 64.472 63.200 -0.088 0.000 1.087 402 S HN 0.391 nan 8.310 nan 0.000 0.474 403 F N 1.409 121.413 119.950 0.090 0.000 2.546 403 F HA 0.928 5.456 4.527 0.001 0.000 0.320 403 F C 1.066 176.881 175.800 0.025 0.000 1.076 403 F CA 0.421 58.458 58.000 0.062 0.000 0.928 403 F CB 1.840 40.877 39.000 0.062 0.000 1.189 403 F HN 1.335 nan 8.300 nan 0.000 0.465 404 G N 1.826 110.684 108.800 0.096 0.000 2.757 404 G HA2 -0.200 3.760 3.960 0.001 0.000 0.638 404 G HA3 -0.200 3.760 3.960 0.001 0.000 0.638 404 G C 0.020 174.914 174.900 -0.009 0.000 1.344 404 G CA -0.723 44.363 45.100 -0.024 0.000 0.855 404 G HN 0.744 nan 8.290 nan 0.000 0.537 405 R N 0.454 120.938 120.500 -0.027 0.000 2.300 405 R HA 0.442 4.783 4.340 0.001 0.000 0.199 405 R C 1.790 178.267 176.300 0.295 0.000 0.920 405 R CA 1.926 58.047 56.100 0.035 0.000 1.046 405 R CB -0.156 29.981 30.300 -0.272 0.000 0.984 405 R HN 2.250 nan 8.270 nan 0.000 0.493 406 G N 0.728 109.666 108.800 0.230 0.000 2.484 406 G HA2 -0.259 3.702 3.960 0.001 0.000 0.225 406 G HA3 -0.259 3.702 3.960 0.001 0.000 0.225 406 G C -1.250 173.767 174.900 0.195 0.000 1.250 406 G CA -0.076 45.149 45.100 0.208 0.000 0.926 406 G HN 0.293 nan 8.290 nan 0.000 0.581 407 D N 0.057 120.466 120.400 0.016 0.000 2.330 407 D HA 0.659 5.300 4.640 0.001 0.000 0.249 407 D C -0.062 175.997 176.300 -0.402 0.000 1.306 407 D CA 0.722 54.613 54.000 -0.181 0.000 0.956 407 D CB 0.946 41.703 40.800 -0.071 0.000 1.261 407 D HN 0.659 nan 8.370 nan 0.000 0.544 408 S N 2.383 117.490 115.700 -0.988 0.000 3.121 408 S HA 0.670 5.141 4.470 0.001 0.000 0.324 408 S C -1.665 172.067 174.600 -1.447 0.000 1.192 408 S CA -0.446 57.191 58.200 -0.939 0.000 0.937 408 S CB 1.329 64.220 63.200 -0.516 0.000 1.336 408 S HN 0.367 nan 8.310 nan 0.000 0.664 409 D N 0.131 119.897 120.400 -1.058 0.000 2.626 409 D HA 0.805 5.445 4.640 0.001 0.000 0.278 409 D C -1.562 174.521 176.300 -0.362 0.000 1.211 409 D CA 0.012 53.544 54.000 -0.779 0.000 0.903 409 D CB 1.961 42.603 40.800 -0.263 0.000 1.408 409 D HN 0.386 nan 8.370 nan 0.000 0.454 410 E N -0.198 119.874 120.200 -0.213 0.000 2.405 410 E HA 0.378 4.728 4.350 0.001 0.000 0.283 410 E C -1.863 174.878 176.600 0.235 0.000 1.140 410 E CA -0.820 55.650 56.400 0.117 0.000 0.904 410 E CB 0.577 30.428 29.700 0.252 0.000 1.209 410 E HN 0.403 nan 8.360 nan 0.000 0.428 411 W N 2.631 124.094 121.300 0.272 0.000 2.936 411 W HA 0.833 5.493 4.660 0.001 0.000 0.338 411 W C -1.082 175.731 176.519 0.491 0.000 1.121 411 W CA -0.472 57.114 57.345 0.402 0.000 1.209 411 W CB 0.699 30.421 29.460 0.437 0.000 1.420 411 W HN 0.684 nan 8.180 nan 0.000 0.516 412 T N -0.010 114.891 114.554 0.578 0.000 2.864 412 T HA 0.896 5.247 4.350 0.001 0.000 0.289 412 T C -1.076 173.998 174.700 0.624 0.000 1.082 412 T CA -0.610 61.686 62.100 0.327 0.000 1.009 412 T CB 2.512 71.588 68.868 0.346 0.000 1.234 412 T HN 0.865 nan 8.240 nan 0.000 0.526 413 F N -2.466 117.624 119.950 0.233 0.000 2.719 413 F HA 0.872 5.400 4.527 0.001 0.000 0.309 413 F C -0.275 175.379 175.800 -0.242 0.000 1.138 413 F CA -0.412 57.567 58.000 -0.034 0.000 0.943 413 F CB 1.179 40.263 39.000 0.140 0.000 1.304 413 F HN 1.161 nan 8.300 nan 0.000 0.445 414 G N 0.011 108.407 108.800 -0.672 0.000 2.336 414 G HA2 0.703 4.664 3.960 0.001 0.000 0.286 414 G HA3 0.703 4.664 3.960 0.001 0.000 0.286 414 G C -2.346 172.365 174.900 -0.315 0.000 1.269 414 G CA -0.242 44.706 45.100 -0.254 0.000 0.873 414 G HN 1.635 nan 8.290 nan 0.000 0.494 415 A N -0.728 122.141 122.820 0.080 0.000 2.401 415 A HA 0.933 5.254 4.320 0.001 0.000 0.310 415 A C -0.516 177.245 177.584 0.296 0.000 1.075 415 A CA -0.272 51.893 52.037 0.214 0.000 0.746 415 A CB 2.176 21.283 19.000 0.178 0.000 1.277 415 A HN 0.963 nan 8.150 nan 0.000 0.425 416 Q N 0.342 120.334 119.800 0.319 0.000 2.435 416 Q HA 0.615 4.956 4.340 0.001 0.000 0.282 416 Q C -1.876 174.234 176.000 0.184 0.000 1.020 416 Q CA -0.748 55.204 55.803 0.249 0.000 0.820 416 Q CB 2.025 30.943 28.738 0.299 0.000 1.436 416 Q HN 1.004 nan 8.270 nan 0.000 0.395 417 M N 0.391 120.064 119.600 0.122 0.000 2.456 417 M HA 0.642 5.123 4.480 0.001 0.000 0.324 417 M C -1.189 175.151 176.300 0.068 0.000 1.124 417 M CA -0.288 55.063 55.300 0.086 0.000 0.959 417 M CB 1.961 34.585 32.600 0.040 0.000 1.692 417 M HN 0.487 nan 8.290 nan 0.000 0.444 418 E N 2.549 122.776 120.200 0.046 0.000 2.293 418 E HA 0.819 5.170 4.350 0.001 0.000 0.270 418 E C -1.986 174.569 176.600 -0.074 0.000 0.879 418 E CA -0.899 55.512 56.400 0.018 0.000 0.756 418 E CB 2.393 32.171 29.700 0.131 0.000 1.208 418 E HN 0.943 nan 8.360 nan 0.000 0.428 419 I N 3.572 124.073 120.570 -0.116 0.000 2.785 419 I HA 0.467 4.638 4.170 0.001 0.000 0.293 419 I C -2.133 174.107 176.117 0.204 0.000 1.446 419 I CA -0.638 60.629 61.300 -0.055 0.000 1.028 419 I CB 1.057 39.073 38.000 0.026 0.000 1.349 419 I HN 0.693 nan 8.210 nan 0.000 0.438 420 W N 6.080 127.527 121.300 0.246 0.000 2.819 420 W HA 0.835 5.495 4.660 0.001 0.000 0.337 420 W C -1.636 175.047 176.519 0.273 0.000 1.077 420 W CA -0.742 56.736 57.345 0.222 0.000 1.226 420 W CB 0.123 29.708 29.460 0.209 0.000 1.419 420 W HN 0.665 nan 8.180 nan 0.000 0.502 421 W N 0.000 121.450 121.300 0.250 0.000 2.388 421 W HA 0.000 4.661 4.660 0.001 0.000 0.303 421 W CA 0.000 57.436 57.345 0.152 0.000 1.226 421 W CB 0.000 29.462 29.460 0.003 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535