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 2enx_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKILVFGHQN PDSDAIGSSV AFAYLAKEAW GLDTEAVALG TPNEETAYVL DATA SEQUENCE DYFGVQAPRV VESAKAEGVE TVILTDHNEF QQSISDIKDV TVYGVVDHHR DATA SEQUENCE VANFETANPL YMRLEPVGSA SSIVYRMFKE NGVSVPKELA GLLLSGLISD DATA SEQUENCE TLLLKSPTTH ASDIPVAKEL AELAGVNLEE YGLEMLKAGT NLSSKTAAEL DATA SEQUENCE IDIDAKTFEL NGEAVRVAQV NTVDINDILA RQEEIEVAIQ EAIVTEGYSD DATA SEQUENCE FVLMITDIVN SNSEILALGS NMAKVEAAFE FTLENNHAFL AGAVSRKKQV DATA SEQUENCE VPQLTESYNA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.586 174.600 -0.023 0.000 1.055 2 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 3 K N 2.426 122.821 120.400 -0.008 0.000 2.530 3 K HA 0.249 4.569 4.320 0.000 0.000 0.280 3 K C -0.967 175.633 176.600 -0.000 0.000 1.004 3 K CA 1.011 57.297 56.287 -0.000 0.000 1.071 3 K CB -0.233 32.275 32.500 0.013 0.000 0.876 3 K HN 0.483 nan 8.250 nan 0.000 0.487 4 I N 5.777 126.348 120.570 0.003 0.000 2.534 4 I HA 0.224 4.394 4.170 0.000 0.000 0.288 4 I C -0.745 175.409 176.117 0.062 0.000 1.077 4 I CA -0.868 60.439 61.300 0.012 0.000 1.051 4 I CB 1.555 39.521 38.000 -0.057 0.000 1.234 4 I HN 0.398 nan 8.210 nan 0.000 0.425 5 L N 6.434 127.727 121.223 0.117 0.000 2.307 5 L HA 0.588 4.928 4.340 0.000 0.000 0.282 5 L C -0.676 176.302 176.870 0.181 0.000 1.051 5 L CA -0.876 54.086 54.840 0.203 0.000 0.804 5 L CB 1.734 43.986 42.059 0.321 0.000 1.197 5 L HN 0.274 nan 8.230 nan 0.000 0.431 6 V N 3.767 123.794 119.914 0.188 0.000 2.444 6 V HA 0.573 4.693 4.120 0.000 0.000 0.294 6 V C -0.552 175.639 176.094 0.163 0.000 1.022 6 V CA -0.608 61.726 62.300 0.057 0.000 0.850 6 V CB 1.132 33.032 31.823 0.129 0.000 0.992 6 V HN 0.602 nan 8.190 nan 0.000 0.426 7 F N 1.653 121.665 119.950 0.102 0.000 2.668 7 F HA 0.962 5.489 4.527 0.000 0.000 0.309 7 F C 0.353 176.243 175.800 0.151 0.000 1.117 7 F CA -0.746 57.312 58.000 0.097 0.000 0.951 7 F CB 1.103 40.148 39.000 0.073 0.000 1.323 7 F HN 0.657 nan 8.300 nan 0.000 0.451 8 G N -0.552 108.429 108.800 0.301 0.000 2.543 8 G HA2 0.492 4.453 3.960 0.000 0.000 0.267 8 G HA3 0.492 4.453 3.960 0.000 0.000 0.267 8 G C -0.898 174.012 174.900 0.017 0.000 1.406 8 G CA -0.379 44.827 45.100 0.178 0.000 1.048 8 G HN 1.063 nan 8.290 nan 0.000 0.548 9 H N -1.681 117.265 119.070 -0.207 0.000 2.408 9 H HA 0.533 5.089 4.556 0.000 0.000 0.345 9 H C 0.118 175.319 175.328 -0.211 0.000 1.547 9 H CA -0.586 55.156 56.048 -0.510 0.000 1.447 9 H CB 0.096 29.581 29.762 -0.463 0.000 1.686 9 H HN 0.399 nan 8.280 nan 0.000 0.625 10 Q N 0.082 119.899 119.800 0.028 0.000 2.299 10 Q HA 0.165 4.505 4.340 0.000 0.000 0.246 10 Q C -0.403 175.691 176.000 0.155 0.000 0.935 10 Q CA -0.735 55.088 55.803 0.033 0.000 0.887 10 Q CB 0.481 29.207 28.738 -0.020 0.000 1.223 10 Q HN 0.585 nan 8.270 nan 0.000 0.439 11 N N 0.736 119.489 118.700 0.088 0.000 2.641 11 N HA -0.117 4.623 4.740 0.000 0.000 0.267 11 N C -2.707 172.902 175.510 0.165 0.000 1.087 11 N CA 0.249 53.363 53.050 0.108 0.000 0.731 11 N CB -1.081 37.462 38.487 0.094 0.000 0.886 11 N HN 0.359 nan 8.380 nan 0.000 0.547 12 P HA 0.122 nan 4.420 nan 0.000 0.271 12 P C 0.059 177.360 177.300 0.001 0.000 1.216 12 P CA 0.012 63.040 63.100 -0.121 0.000 0.776 12 P CB 0.668 32.304 31.700 -0.108 0.000 0.881 13 D N 0.015 120.414 120.400 -0.002 0.000 2.592 13 D HA 0.213 4.853 4.640 0.000 0.000 0.259 13 D C 0.775 177.107 176.300 0.054 0.000 1.144 13 D CA -0.688 53.363 54.000 0.084 0.000 1.080 13 D CB 0.016 40.919 40.800 0.171 0.000 1.225 13 D HN 0.066 nan 8.370 nan 0.000 0.619 14 S N -0.654 115.094 115.700 0.080 0.000 2.368 14 S HA -0.173 4.297 4.470 0.000 0.000 0.225 14 S C 1.277 175.920 174.600 0.072 0.000 1.030 14 S CA 1.500 59.746 58.200 0.077 0.000 0.999 14 S CB -0.387 62.865 63.200 0.088 0.000 0.844 14 S HN 0.672 nan 8.310 nan 0.000 0.459 15 D N 1.623 122.079 120.400 0.093 0.000 2.104 15 D HA -0.060 4.580 4.640 0.000 0.000 0.194 15 D C 1.976 178.334 176.300 0.096 0.000 0.994 15 D CA 1.386 55.451 54.000 0.108 0.000 0.830 15 D CB -0.326 40.578 40.800 0.175 0.000 0.959 15 D HN 0.312 nan 8.370 nan 0.000 0.452 16 A N 0.294 123.146 122.820 0.054 0.000 1.930 16 A HA -0.089 4.231 4.320 0.000 0.000 0.217 16 A C 2.334 179.919 177.584 0.002 0.000 1.175 16 A CA 1.091 53.110 52.037 -0.030 0.000 0.627 16 A CB -0.552 18.234 19.000 -0.356 0.000 0.815 16 A HN 0.338 nan 8.150 nan 0.000 0.443 17 I N -0.405 120.172 120.570 0.012 0.000 2.162 17 I HA -0.130 4.040 4.170 0.000 0.000 0.238 17 I C 2.793 178.948 176.117 0.064 0.000 1.076 17 I CA 1.414 62.740 61.300 0.044 0.000 1.353 17 I CB -1.915 36.114 38.000 0.047 0.000 1.063 17 I HN 0.348 nan 8.210 nan 0.000 0.408 18 G N 1.998 110.832 108.800 0.058 0.000 2.672 18 G HA2 -0.371 3.589 3.960 0.000 0.000 0.218 18 G HA3 -0.371 3.589 3.960 0.000 0.000 0.218 18 G C 1.831 176.780 174.900 0.082 0.000 1.238 18 G CA 2.313 47.442 45.100 0.048 0.000 0.791 18 G HN 0.522 nan 8.290 nan 0.000 0.606 19 S N 0.951 116.711 115.700 0.100 0.000 2.392 19 S HA -0.253 4.218 4.470 0.000 0.000 0.232 19 S C 2.477 177.189 174.600 0.186 0.000 1.041 19 S CA 2.604 60.890 58.200 0.144 0.000 1.026 19 S CB -0.789 62.482 63.200 0.119 0.000 0.845 19 S HN 0.862 nan 8.310 nan 0.000 0.465 20 S N 1.589 117.378 115.700 0.148 0.000 2.371 20 S HA 0.029 4.499 4.470 0.000 0.000 0.221 20 S C 1.915 176.640 174.600 0.208 0.000 1.036 20 S CA 0.772 59.073 58.200 0.169 0.000 0.965 20 S CB -1.019 62.257 63.200 0.127 0.000 0.845 20 S HN 0.413 nan 8.310 nan 0.000 0.475 21 V N 3.216 123.228 119.914 0.163 0.000 2.282 21 V HA -0.162 3.958 4.120 0.000 0.000 0.249 21 V C 3.215 179.426 176.094 0.195 0.000 1.057 21 V CA 1.830 64.222 62.300 0.154 0.000 1.032 21 V CB -1.792 30.091 31.823 0.100 0.000 0.645 21 V HN 0.672 nan 8.190 nan 0.000 0.447 22 A N -0.732 122.211 122.820 0.204 0.000 1.940 22 A HA -0.227 4.093 4.320 0.000 0.000 0.219 22 A C 2.124 179.962 177.584 0.424 0.000 1.176 22 A CA 2.078 54.287 52.037 0.287 0.000 0.631 22 A CB -0.689 18.466 19.000 0.258 0.000 0.814 22 A HN 0.518 nan 8.150 nan 0.000 0.446 23 F N 0.301 120.376 119.950 0.209 0.000 2.234 23 F HA 0.120 4.647 4.527 0.000 0.000 0.296 23 F C 2.530 178.386 175.800 0.094 0.000 1.089 23 F CA 0.822 58.903 58.000 0.135 0.000 1.343 23 F CB -0.178 38.885 39.000 0.104 0.000 1.040 23 F HN 0.246 nan 8.300 nan 0.000 0.498 24 A N -0.697 122.280 122.820 0.261 0.000 1.940 24 A HA -0.279 4.041 4.320 0.000 0.000 0.219 24 A C 2.041 179.663 177.584 0.063 0.000 1.176 24 A CA 1.827 53.955 52.037 0.152 0.000 0.631 24 A CB -1.524 17.575 19.000 0.166 0.000 0.814 24 A HN 0.630 nan 8.150 nan 0.000 0.446 25 Y N -0.395 119.902 120.300 -0.006 0.000 2.220 25 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 25 Y C 2.012 177.797 175.900 -0.191 0.000 1.129 25 Y CA 1.649 59.730 58.100 -0.032 0.000 1.161 25 Y CB -0.196 38.312 38.460 0.080 0.000 0.997 25 Y HN 0.248 nan 8.280 nan 0.000 0.522 26 L N 1.023 122.154 121.223 -0.152 0.000 2.017 26 L HA -0.080 4.261 4.340 0.000 0.000 0.208 26 L C 2.431 178.791 176.870 -0.849 0.000 1.073 26 L CA 2.255 56.672 54.840 -0.705 0.000 0.745 26 L CB -1.377 39.980 42.059 -1.170 0.000 0.894 26 L HN 0.256 nan 8.230 nan 0.000 0.432 27 A N -0.835 121.553 122.820 -0.721 0.000 2.019 27 A HA -0.240 4.080 4.320 0.000 0.000 0.219 27 A C 2.450 179.808 177.584 -0.377 0.000 1.164 27 A CA 1.909 53.642 52.037 -0.506 0.000 0.644 27 A CB -0.626 18.305 19.000 -0.115 0.000 0.805 27 A HN 0.548 nan 8.150 nan 0.000 0.449 28 K N -0.836 119.344 120.400 -0.366 0.000 2.137 28 K HA -0.065 4.256 4.320 0.000 0.000 0.202 28 K C 1.725 178.108 176.600 -0.362 0.000 1.052 28 K CA 1.357 57.471 56.287 -0.287 0.000 0.961 28 K CB 0.020 32.370 32.500 -0.250 0.000 0.741 28 K HN 0.331 nan 8.250 nan 0.000 0.452 29 E N -0.221 119.668 120.200 -0.519 0.000 2.250 29 E HA 0.090 4.440 4.350 0.000 0.000 0.192 29 E C 1.215 177.519 176.600 -0.492 0.000 0.986 29 E CA 0.778 56.884 56.400 -0.489 0.000 0.849 29 E CB 0.430 29.787 29.700 -0.572 0.000 0.797 29 E HN 0.384 nan 8.360 nan 0.000 0.482 30 A N -0.769 121.601 122.820 -0.750 0.000 1.944 30 A HA 0.070 4.390 4.320 0.000 0.000 0.207 30 A C 1.357 178.616 177.584 -0.541 0.000 1.265 30 A CA 0.261 51.751 52.037 -0.912 0.000 0.712 30 A CB -0.533 17.416 19.000 -1.752 0.000 0.915 30 A HN 0.370 nan 8.150 nan 0.000 0.470 31 W N -0.361 120.830 121.300 -0.182 0.000 3.220 31 W HA 0.419 5.080 4.660 0.000 0.000 0.328 31 W C 1.364 177.818 176.519 -0.109 0.000 1.205 31 W CA -0.089 57.181 57.345 -0.126 0.000 1.773 31 W CB 0.222 29.608 29.460 -0.124 0.000 1.086 31 W HN 0.461 nan 8.180 nan 0.000 0.622 32 G N 2.423 111.202 108.800 -0.036 0.000 2.390 32 G HA2 -0.320 3.640 3.960 0.000 0.000 0.299 32 G HA3 -0.320 3.640 3.960 0.000 0.000 0.299 32 G C -0.053 174.836 174.900 -0.019 0.000 1.002 32 G CA 0.130 45.197 45.100 -0.056 0.000 0.979 32 G HN 0.272 nan 8.290 nan 0.000 0.513 33 L N -0.729 120.488 121.223 -0.009 0.000 2.399 33 L HA 0.441 4.781 4.340 0.000 0.000 0.266 33 L C 0.576 177.411 176.870 -0.057 0.000 1.114 33 L CA -0.893 53.929 54.840 -0.030 0.000 0.804 33 L CB 0.902 42.937 42.059 -0.040 0.000 1.146 33 L HN 0.173 nan 8.230 nan 0.000 0.451 34 D N 1.664 122.032 120.400 -0.054 0.000 2.422 34 D HA 0.171 4.812 4.640 0.000 0.000 0.227 34 D C -0.554 175.728 176.300 -0.030 0.000 1.190 34 D CA -0.239 53.737 54.000 -0.041 0.000 0.905 34 D CB 0.476 41.258 40.800 -0.030 0.000 1.034 34 D HN 0.580 nan 8.370 nan 0.000 0.507 35 T N 0.862 115.404 114.554 -0.020 0.000 2.840 35 T HA 0.423 4.773 4.350 0.000 0.000 0.287 35 T C -0.247 174.476 174.700 0.038 0.000 0.991 35 T CA -1.080 61.028 62.100 0.014 0.000 0.964 35 T CB 1.468 70.352 68.868 0.027 0.000 0.954 35 T HN 0.361 nan 8.240 nan 0.000 0.438 36 E N 2.402 122.637 120.200 0.059 0.000 2.175 36 E HA 0.598 4.948 4.350 0.000 0.000 0.278 36 E C -0.399 176.269 176.600 0.113 0.000 0.969 36 E CA -0.990 55.456 56.400 0.077 0.000 0.796 36 E CB 1.215 30.955 29.700 0.066 0.000 1.104 36 E HN 0.907 nan 8.360 nan 0.000 0.395 37 A N 3.734 126.625 122.820 0.119 0.000 2.328 37 A HA 0.528 4.848 4.320 0.000 0.000 0.284 37 A C -0.218 177.447 177.584 0.135 0.000 1.160 37 A CA -0.354 51.769 52.037 0.143 0.000 0.818 37 A CB 0.458 19.542 19.000 0.139 0.000 1.087 37 A HN 0.534 nan 8.150 nan 0.000 0.504 38 V N -1.469 118.548 119.914 0.172 0.000 3.165 38 V HA 1.019 5.139 4.120 0.000 0.000 0.309 38 V C -0.196 175.983 176.094 0.141 0.000 1.267 38 V CA -0.413 61.966 62.300 0.132 0.000 1.067 38 V CB 1.276 33.160 31.823 0.102 0.000 1.082 38 V HN 1.964 nan 8.190 nan 0.000 0.451 39 A N 0.146 123.003 122.820 0.062 0.000 2.539 39 A HA 0.835 5.155 4.320 0.000 0.000 0.296 39 A C -0.229 177.329 177.584 -0.042 0.000 1.073 39 A CA -0.685 51.373 52.037 0.034 0.000 0.700 39 A CB 1.763 20.782 19.000 0.032 0.000 1.296 39 A HN 1.095 nan 8.150 nan 0.000 0.405 40 L N 0.979 122.163 121.223 -0.066 0.000 2.592 40 L HA 0.409 4.749 4.340 0.000 0.000 0.227 40 L C 1.118 177.957 176.870 -0.052 0.000 1.127 40 L CA 0.894 55.673 54.840 -0.101 0.000 0.884 40 L CB -0.068 41.913 42.059 -0.129 0.000 1.065 40 L HN 0.880 nan 8.230 nan 0.000 0.457 41 G N -1.544 107.241 108.800 -0.026 0.000 2.554 41 G HA2 0.308 4.268 3.960 0.000 0.000 0.306 41 G HA3 0.308 4.268 3.960 0.000 0.000 0.306 41 G C -1.324 173.580 174.900 0.007 0.000 1.320 41 G CA -0.384 44.712 45.100 -0.006 0.000 0.800 41 G HN -0.304 nan 8.290 nan 0.000 0.481 42 T N 2.690 117.255 114.554 0.017 0.000 2.856 42 T HA 0.564 4.914 4.350 0.000 0.000 0.292 42 T C -2.003 172.717 174.700 0.033 0.000 0.980 42 T CA -0.502 61.613 62.100 0.025 0.000 1.091 42 T CB 1.250 70.134 68.868 0.026 0.000 0.936 42 T HN 0.382 nan 8.240 nan 0.000 0.503 43 P HA 0.109 nan 4.420 nan 0.000 0.266 43 P C -0.296 177.037 177.300 0.054 0.000 1.195 43 P CA -0.409 62.720 63.100 0.049 0.000 0.768 43 P CB 0.278 32.014 31.700 0.059 0.000 0.838 44 N N 0.363 119.098 118.700 0.058 0.000 2.381 44 N HA 0.008 4.748 4.740 0.000 0.000 0.254 44 N C 0.944 176.492 175.510 0.064 0.000 1.264 44 N CA -0.289 52.797 53.050 0.059 0.000 0.942 44 N CB 0.299 38.822 38.487 0.060 0.000 1.190 44 N HN 0.369 nan 8.380 nan 0.000 0.495 45 E N -0.224 120.010 120.200 0.056 0.000 2.055 45 E HA -0.389 3.962 4.350 0.000 0.000 0.209 45 E C 1.290 177.935 176.600 0.076 0.000 1.036 45 E CA 1.982 58.417 56.400 0.058 0.000 0.849 45 E CB -0.235 29.488 29.700 0.038 0.000 0.767 45 E HN 0.856 nan 8.360 nan 0.000 0.461 46 E N -0.092 120.141 120.200 0.056 0.000 2.086 46 E HA -0.250 4.100 4.350 0.000 0.000 0.205 46 E C 1.976 178.657 176.600 0.135 0.000 1.027 46 E CA 2.212 58.648 56.400 0.060 0.000 0.830 46 E CB -0.092 29.627 29.700 0.031 0.000 0.751 46 E HN 0.161 nan 8.360 nan 0.000 0.456 47 T N 0.462 115.088 114.554 0.120 0.000 2.881 47 T HA -0.076 4.274 4.350 0.000 0.000 0.270 47 T C 1.702 176.496 174.700 0.156 0.000 1.068 47 T CA 1.037 63.219 62.100 0.137 0.000 1.131 47 T CB -0.223 68.705 68.868 0.099 0.000 0.871 47 T HN 0.397 nan 8.240 nan 0.000 0.479 48 A N 0.832 123.739 122.820 0.145 0.000 1.855 48 A HA -0.074 4.246 4.320 0.000 0.000 0.215 48 A C 2.029 179.719 177.584 0.177 0.000 1.191 48 A CA 1.504 53.622 52.037 0.135 0.000 0.613 48 A CB -1.173 17.892 19.000 0.109 0.000 0.829 48 A HN 0.586 nan 8.150 nan 0.000 0.442 49 Y N 0.852 121.199 120.300 0.079 0.000 2.139 49 Y HA -0.265 4.285 4.550 0.000 0.000 0.282 49 Y C 2.229 178.232 175.900 0.172 0.000 1.179 49 Y CA 2.165 60.323 58.100 0.097 0.000 1.161 49 Y CB -0.415 38.082 38.460 0.062 0.000 0.970 49 Y HN 0.074 nan 8.280 nan 0.000 0.511 50 V N 0.723 120.842 119.914 0.341 0.000 2.233 50 V HA -0.364 3.756 4.120 0.000 0.000 0.247 50 V C 2.479 178.765 176.094 0.320 0.000 1.050 50 V CA 2.306 64.827 62.300 0.368 0.000 1.010 50 V CB -0.910 31.119 31.823 0.343 0.000 0.637 50 V HN 0.487 nan 8.190 nan 0.000 0.444 51 L N -0.045 121.308 121.223 0.218 0.000 2.079 51 L HA -0.235 4.105 4.340 0.000 0.000 0.210 51 L C 2.300 179.245 176.870 0.125 0.000 1.081 51 L CA 1.994 56.939 54.840 0.175 0.000 0.752 51 L CB -0.613 41.516 42.059 0.118 0.000 0.896 51 L HN 0.432 nan 8.230 nan 0.000 0.433 52 D N -0.897 119.537 120.400 0.056 0.000 2.084 52 D HA -0.274 4.366 4.640 0.000 0.000 0.196 52 D C 2.089 178.314 176.300 -0.125 0.000 0.985 52 D CA 1.101 55.078 54.000 -0.038 0.000 0.826 52 D CB -0.137 40.620 40.800 -0.071 0.000 0.978 52 D HN 0.244 nan 8.370 nan 0.000 0.456 53 Y N -0.490 119.594 120.300 -0.361 0.000 2.241 53 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 53 Y C 1.091 176.592 175.900 -0.665 0.000 1.166 53 Y CA 1.492 59.235 58.100 -0.595 0.000 1.203 53 Y CB -0.209 37.782 38.460 -0.781 0.000 0.977 53 Y HN 0.041 nan 8.280 nan 0.000 0.529 54 F N -0.807 119.212 119.950 0.115 0.000 2.639 54 F HA 0.345 4.872 4.527 0.000 0.000 0.302 54 F C 1.540 177.336 175.800 -0.007 0.000 1.097 54 F CA 0.263 58.300 58.000 0.061 0.000 1.294 54 F CB 0.295 39.323 39.000 0.046 0.000 1.027 54 F HN -0.001 nan 8.300 nan 0.000 0.550 55 G N 1.474 110.313 108.800 0.066 0.000 2.273 55 G HA2 -0.231 3.729 3.960 0.000 0.000 0.280 55 G HA3 -0.231 3.729 3.960 0.000 0.000 0.280 55 G C -0.374 174.559 174.900 0.055 0.000 1.047 55 G CA 0.166 45.283 45.100 0.027 0.000 0.869 55 G HN 0.196 nan 8.290 nan 0.000 0.502 56 V N -0.212 119.751 119.914 0.082 0.000 2.628 56 V HA 0.481 4.601 4.120 0.000 0.000 0.306 56 V C 0.493 176.624 176.094 0.061 0.000 1.045 56 V CA -0.827 61.516 62.300 0.073 0.000 0.905 56 V CB 1.941 33.817 31.823 0.088 0.000 0.997 56 V HN 0.447 nan 8.190 nan 0.000 0.436 57 Q N 1.954 121.784 119.800 0.050 0.000 2.259 57 Q HA 0.630 4.971 4.340 0.000 0.000 0.249 57 Q C 0.157 176.188 176.000 0.052 0.000 0.914 57 Q CA -0.409 55.421 55.803 0.046 0.000 0.904 57 Q CB 1.600 30.361 28.738 0.038 0.000 1.213 57 Q HN 0.947 nan 8.270 nan 0.000 0.428 58 A N 4.213 127.063 122.820 0.051 0.000 2.477 58 A HA 0.281 4.601 4.320 0.000 0.000 0.246 58 A C -1.999 175.613 177.584 0.048 0.000 1.078 58 A CA -1.030 51.038 52.037 0.052 0.000 0.770 58 A CB -0.375 18.654 19.000 0.048 0.000 1.011 58 A HN 0.480 nan 8.150 nan 0.000 0.494 59 P HA 0.240 nan 4.420 nan 0.000 0.271 59 P C -0.474 176.851 177.300 0.043 0.000 1.216 59 P CA -0.349 62.783 63.100 0.055 0.000 0.771 59 P CB 0.492 32.235 31.700 0.071 0.000 0.864 60 R N 1.508 122.031 120.500 0.038 0.000 2.583 60 R HA 0.231 4.572 4.340 0.000 0.000 0.274 60 R C -0.289 176.019 176.300 0.014 0.000 0.998 60 R CA -0.562 55.553 56.100 0.025 0.000 1.081 60 R CB -0.528 29.785 30.300 0.022 0.000 0.940 60 R HN 0.145 nan 8.270 nan 0.000 0.413 61 V N 4.016 123.932 119.914 0.004 0.000 2.686 61 V HA 0.257 4.377 4.120 0.000 0.000 0.295 61 V C 0.365 176.442 176.094 -0.028 0.000 1.055 61 V CA -0.393 61.899 62.300 -0.014 0.000 1.050 61 V CB 1.311 33.127 31.823 -0.011 0.000 0.984 61 V HN 0.615 nan 8.190 nan 0.000 0.482 62 V N 3.419 123.297 119.914 -0.059 0.000 3.040 62 V HA 0.491 4.611 4.120 0.000 0.000 0.312 62 V C 0.330 176.363 176.094 -0.101 0.000 1.115 62 V CA -0.602 61.653 62.300 -0.076 0.000 0.998 62 V CB 2.334 34.100 31.823 -0.095 0.000 1.042 62 V HN 0.882 nan 8.190 nan 0.000 0.433 63 E N 0.828 120.976 120.200 -0.087 0.000 2.152 63 E HA 0.183 4.534 4.350 0.000 0.000 0.195 63 E C 0.545 177.082 176.600 -0.105 0.000 0.934 63 E CA 0.748 57.098 56.400 -0.083 0.000 0.869 63 E CB 0.767 30.436 29.700 -0.051 0.000 0.842 63 E HN 0.585 nan 8.360 nan 0.000 0.472 64 S N -0.979 114.666 115.700 -0.091 0.000 2.546 64 S HA 0.553 5.024 4.470 0.000 0.000 0.272 64 S C 0.172 174.732 174.600 -0.066 0.000 1.140 64 S CA 0.021 58.174 58.200 -0.077 0.000 0.920 64 S CB 1.797 64.970 63.200 -0.045 0.000 1.083 64 S HN 0.093 nan 8.310 nan 0.000 0.476 65 A N 4.300 127.087 122.820 -0.055 0.000 1.968 65 A HA 0.095 4.415 4.320 0.000 0.000 0.217 65 A C 1.933 179.519 177.584 0.003 0.000 1.169 65 A CA 1.133 53.162 52.037 -0.013 0.000 0.638 65 A CB -0.434 18.583 19.000 0.029 0.000 0.812 65 A HN 0.863 nan 8.150 nan 0.000 0.446 66 K N -0.317 120.082 120.400 -0.003 0.000 1.991 66 K HA 0.024 4.344 4.320 0.000 0.000 0.207 66 K C 2.302 178.901 176.600 -0.002 0.000 1.045 66 K CA 0.948 57.236 56.287 0.002 0.000 0.937 66 K CB -0.417 32.083 32.500 0.001 0.000 0.720 66 K HN 0.368 nan 8.250 nan 0.000 0.438 67 A N 1.884 124.698 122.820 -0.009 0.000 2.038 67 A HA -0.265 4.055 4.320 0.000 0.000 0.224 67 A C 1.658 179.239 177.584 -0.006 0.000 1.190 67 A CA 1.985 54.016 52.037 -0.010 0.000 0.668 67 A CB -0.395 18.594 19.000 -0.018 0.000 0.820 67 A HN 0.296 nan 8.150 nan 0.000 0.474 68 E N -1.961 118.237 120.200 -0.004 0.000 2.474 68 E HA 0.258 4.608 4.350 0.000 0.000 0.195 68 E C 1.148 177.755 176.600 0.011 0.000 1.039 68 E CA 0.612 57.014 56.400 0.003 0.000 0.881 68 E CB -0.062 29.639 29.700 0.003 0.000 0.970 68 E HN 0.915 nan 8.360 nan 0.000 0.486 69 G N 1.368 110.174 108.800 0.011 0.000 2.160 69 G HA2 -0.267 3.693 3.960 0.000 0.000 0.251 69 G HA3 -0.267 3.693 3.960 0.000 0.000 0.251 69 G C 0.296 175.208 174.900 0.020 0.000 1.008 69 G CA 0.563 45.671 45.100 0.014 0.000 0.724 69 G HN 0.144 nan 8.290 nan 0.000 0.514 70 V N -1.156 118.775 119.914 0.027 0.000 2.815 70 V HA 0.726 4.846 4.120 0.000 0.000 0.314 70 V C 0.861 176.980 176.094 0.041 0.000 1.064 70 V CA -0.292 62.030 62.300 0.038 0.000 0.952 70 V CB 1.924 33.780 31.823 0.055 0.000 1.020 70 V HN 0.210 nan 8.190 nan 0.000 0.439 71 E N 0.561 120.786 120.200 0.042 0.000 2.514 71 E HA 0.196 4.547 4.350 0.000 0.000 0.215 71 E C -0.063 176.571 176.600 0.057 0.000 0.946 71 E CA 0.374 56.800 56.400 0.043 0.000 1.038 71 E CB 0.836 30.557 29.700 0.035 0.000 1.069 71 E HN 0.903 nan 8.360 nan 0.000 0.503 72 T N 0.122 114.715 114.554 0.065 0.000 2.921 72 T HA 0.594 4.944 4.350 0.000 0.000 0.297 72 T C -0.642 174.110 174.700 0.087 0.000 1.013 72 T CA -0.865 61.283 62.100 0.079 0.000 0.990 72 T CB 1.695 70.597 68.868 0.057 0.000 1.023 72 T HN -0.019 nan 8.240 nan 0.000 0.447 73 V N 0.047 120.022 119.914 0.102 0.000 3.040 73 V HA 0.857 4.978 4.120 0.000 0.000 0.312 73 V C -1.170 174.929 176.094 0.009 0.000 1.115 73 V CA -1.336 61.005 62.300 0.069 0.000 0.998 73 V CB 1.822 33.721 31.823 0.127 0.000 1.042 73 V HN 0.921 nan 8.190 nan 0.000 0.433 74 I N 2.918 123.418 120.570 -0.117 0.000 2.466 74 I HA 0.492 4.662 4.170 0.000 0.000 0.289 74 I C -0.682 175.187 176.117 -0.412 0.000 1.026 74 I CA -0.517 60.701 61.300 -0.136 0.000 1.078 74 I CB 1.906 39.926 38.000 0.033 0.000 1.249 74 I HN 0.506 nan 8.210 nan 0.000 0.429 75 L N 5.586 126.569 121.223 -0.400 0.000 2.307 75 L HA 0.653 4.993 4.340 0.000 0.000 0.282 75 L C 0.276 176.911 176.870 -0.390 0.000 1.051 75 L CA -0.485 54.042 54.840 -0.522 0.000 0.804 75 L CB 1.448 43.135 42.059 -0.621 0.000 1.197 75 L HN 0.604 nan 8.230 nan 0.000 0.431 76 T N -2.638 111.774 114.554 -0.237 0.000 2.907 76 T HA 0.380 4.730 4.350 0.000 0.000 0.292 76 T C 0.167 174.947 174.700 0.133 0.000 1.043 76 T CA -0.456 61.580 62.100 -0.106 0.000 1.003 76 T CB 1.899 70.713 68.868 -0.091 0.000 1.084 76 T HN 0.720 nan 8.240 nan 0.000 0.483 77 D N 0.651 121.154 120.400 0.172 0.000 3.077 77 D HA -0.203 4.438 4.640 0.000 0.000 0.217 77 D C 0.014 176.556 176.300 0.404 0.000 1.162 77 D CA 2.366 56.584 54.000 0.364 0.000 0.943 77 D CB -1.540 39.491 40.800 0.385 0.000 1.122 77 D HN 1.194 nan 8.370 nan 0.000 0.413 78 H N -2.572 116.536 119.070 0.064 0.000 2.969 78 H HA 0.402 4.958 4.556 0.000 0.000 0.304 78 H C 0.165 175.443 175.328 -0.083 0.000 1.400 78 H CA -0.019 55.986 56.048 -0.072 0.000 1.182 78 H CB 0.054 29.800 29.762 -0.026 0.000 1.865 78 H HN 0.092 nan 8.280 nan 0.000 0.512 79 N N -0.510 118.093 118.700 -0.162 0.000 1.983 79 N HA 0.028 4.768 4.740 0.000 0.000 0.234 79 N C -1.003 174.624 175.510 0.196 0.000 1.339 79 N CA -0.413 52.519 53.050 -0.197 0.000 0.826 79 N CB 0.816 39.006 38.487 -0.495 0.000 1.156 79 N HN 0.486 nan 8.380 nan 0.000 0.468 80 E N 0.779 121.075 120.200 0.161 0.000 2.366 80 E HA 0.033 4.383 4.350 0.000 0.000 0.266 80 E C -0.382 176.439 176.600 0.368 0.000 1.015 80 E CA -0.208 56.319 56.400 0.213 0.000 0.906 80 E CB 0.791 30.496 29.700 0.008 0.000 0.979 80 E HN 0.289 nan 8.360 nan 0.000 0.443 81 F N 1.536 121.558 119.950 0.121 0.000 2.250 81 F HA -0.194 4.333 4.527 0.000 0.000 0.301 81 F C 2.504 178.348 175.800 0.073 0.000 1.077 81 F CA 0.520 58.591 58.000 0.120 0.000 1.348 81 F CB 0.229 39.277 39.000 0.080 0.000 1.040 81 F HN 0.465 nan 8.300 nan 0.000 0.509 82 Q N 0.748 120.666 119.800 0.196 0.000 2.247 82 Q HA -0.025 4.315 4.340 0.000 0.000 0.205 82 Q C 0.585 176.574 176.000 -0.018 0.000 0.896 82 Q CA 0.450 56.294 55.803 0.068 0.000 0.950 82 Q CB 0.137 28.895 28.738 0.034 0.000 1.054 82 Q HN 0.515 nan 8.270 nan 0.000 0.482 83 Q N -0.397 119.401 119.800 -0.004 0.000 2.214 83 Q HA 0.219 4.559 4.340 0.000 0.000 0.229 83 Q C 0.420 176.374 176.000 -0.076 0.000 0.835 83 Q CA -0.037 55.709 55.803 -0.094 0.000 0.953 83 Q CB 1.310 29.940 28.738 -0.180 0.000 1.131 83 Q HN 0.264 nan 8.270 nan 0.000 0.501 84 S N -0.057 115.684 115.700 0.068 0.000 2.647 84 S HA 0.412 4.882 4.470 0.000 0.000 0.284 84 S C 0.106 174.729 174.600 0.039 0.000 1.134 84 S CA -0.726 57.579 58.200 0.175 0.000 1.027 84 S CB 0.423 63.868 63.200 0.408 0.000 1.180 84 S HN 0.270 nan 8.310 nan 0.000 0.521 85 I N 1.712 122.294 120.570 0.019 0.000 2.993 85 I HA 0.033 4.203 4.170 0.000 0.000 0.286 85 I C 1.804 177.863 176.117 -0.096 0.000 1.215 85 I CA 0.569 61.758 61.300 -0.185 0.000 1.393 85 I CB 1.004 38.762 38.000 -0.403 0.000 1.371 85 I HN 0.944 nan 8.210 nan 0.000 0.602 86 S N 3.091 118.730 115.700 -0.102 0.000 2.365 86 S HA -0.219 4.251 4.470 0.000 0.000 0.225 86 S C 0.943 175.516 174.600 -0.044 0.000 1.039 86 S CA 1.413 59.579 58.200 -0.058 0.000 1.033 86 S CB -0.393 62.776 63.200 -0.052 0.000 0.887 86 S HN 0.829 nan 8.310 nan 0.000 0.447 87 D N 0.326 120.695 120.400 -0.052 0.000 2.722 87 D HA 0.201 4.841 4.640 0.000 0.000 0.239 87 D C 1.087 177.350 176.300 -0.061 0.000 1.249 87 D CA -0.481 53.496 54.000 -0.038 0.000 0.830 87 D CB -0.058 40.727 40.800 -0.024 0.000 1.025 87 D HN 0.380 nan 8.370 nan 0.000 0.486 88 I N 1.554 122.053 120.570 -0.119 0.000 2.194 88 I HA -0.275 3.895 4.170 0.000 0.000 0.246 88 I C 1.809 177.734 176.117 -0.320 0.000 1.093 88 I CA 1.537 62.674 61.300 -0.272 0.000 1.355 88 I CB -0.068 37.631 38.000 -0.502 0.000 1.046 88 I HN -0.080 nan 8.210 nan 0.000 0.413 89 K N -0.011 120.297 120.400 -0.153 0.000 2.519 89 K HA -0.109 4.211 4.320 0.000 0.000 0.196 89 K C 0.678 177.305 176.600 0.046 0.000 1.041 89 K CA 1.026 57.358 56.287 0.074 0.000 0.954 89 K CB -0.178 32.433 32.500 0.186 0.000 0.774 89 K HN 0.409 nan 8.250 nan 0.000 0.480 90 D N 0.372 120.772 120.400 -0.001 0.000 2.398 90 D HA 0.012 4.652 4.640 0.000 0.000 0.210 90 D C 0.521 176.828 176.300 0.012 0.000 1.094 90 D CA 0.202 54.210 54.000 0.013 0.000 0.839 90 D CB 0.683 41.489 40.800 0.010 0.000 0.963 90 D HN 0.019 nan 8.370 nan 0.000 0.506 91 V N -1.953 117.963 119.914 0.002 0.000 3.234 91 V HA 0.652 4.772 4.120 0.000 0.000 0.317 91 V C 0.297 176.409 176.094 0.030 0.000 1.147 91 V CA -0.667 61.646 62.300 0.022 0.000 1.037 91 V CB 1.524 33.369 31.823 0.037 0.000 1.148 91 V HN -0.234 nan 8.190 nan 0.000 0.455 92 T N 1.327 115.912 114.554 0.053 0.000 2.767 92 T HA 0.511 4.861 4.350 0.000 0.000 0.288 92 T C -0.242 174.516 174.700 0.097 0.000 0.963 92 T CA -0.178 61.962 62.100 0.068 0.000 1.019 92 T CB 1.164 70.082 68.868 0.083 0.000 0.923 92 T HN 0.638 nan 8.240 nan 0.000 0.468 93 V N 5.307 125.278 119.914 0.095 0.000 2.338 93 V HA 0.097 4.217 4.120 0.000 0.000 0.255 93 V C 0.770 176.969 176.094 0.177 0.000 1.082 93 V CA -0.374 62.011 62.300 0.141 0.000 0.951 93 V CB -0.476 31.465 31.823 0.198 0.000 1.102 93 V HN 0.932 nan 8.190 nan 0.000 0.489 94 Y N 4.708 125.051 120.300 0.072 0.000 2.293 94 Y HA 0.289 4.840 4.550 0.000 0.000 0.291 94 Y C 1.194 177.177 175.900 0.138 0.000 1.137 94 Y CA 1.258 59.416 58.100 0.097 0.000 1.202 94 Y CB 0.387 38.904 38.460 0.094 0.000 0.990 94 Y HN 0.607 nan 8.280 nan 0.000 0.537 95 G N -0.753 108.185 108.800 0.231 0.000 2.673 95 G HA2 0.521 4.481 3.960 0.000 0.000 0.292 95 G HA3 0.521 4.481 3.960 0.000 0.000 0.292 95 G C -2.308 172.594 174.900 0.004 0.000 1.450 95 G CA -0.457 44.725 45.100 0.136 0.000 0.837 95 G HN -0.017 nan 8.290 nan 0.000 0.505 96 V N -0.078 119.790 119.914 -0.076 0.000 2.808 96 V HA 0.702 4.822 4.120 0.000 0.000 0.308 96 V C -0.703 175.258 176.094 -0.222 0.000 1.099 96 V CA -0.753 61.424 62.300 -0.206 0.000 0.920 96 V CB 2.026 33.680 31.823 -0.281 0.000 1.014 96 V HN 0.708 nan 8.190 nan 0.000 0.425 97 V N 3.370 123.117 119.914 -0.279 0.000 2.482 97 V HA 0.687 4.807 4.120 0.000 0.000 0.295 97 V C -1.013 175.018 176.094 -0.106 0.000 1.026 97 V CA -0.156 62.017 62.300 -0.212 0.000 0.856 97 V CB 1.742 33.354 31.823 -0.351 0.000 1.001 97 V HN 0.988 nan 8.190 nan 0.000 0.424 98 D N 1.977 122.357 120.400 -0.033 0.000 2.599 98 D HA 0.432 5.072 4.640 0.000 0.000 0.252 98 D C -0.492 175.878 176.300 0.116 0.000 1.232 98 D CA -0.423 53.614 54.000 0.062 0.000 0.819 98 D CB 2.100 42.900 40.800 -0.000 0.000 1.401 98 D HN 0.808 nan 8.370 nan 0.000 0.429 99 H N -1.203 117.851 119.070 -0.027 0.000 2.651 99 H HA 0.501 5.057 4.556 0.000 0.000 0.241 99 H C -0.525 174.668 175.328 -0.224 0.000 1.225 99 H CA -0.488 55.487 56.048 -0.122 0.000 0.942 99 H CB -0.141 29.537 29.762 -0.140 0.000 1.996 99 H HN 0.100 nan 8.280 nan 0.000 0.600 100 H N 0.018 119.000 119.070 -0.148 0.000 2.960 100 H HA 0.513 5.069 4.556 0.000 0.000 0.302 100 H C 0.007 175.295 175.328 -0.067 0.000 1.515 100 H CA -1.294 54.670 56.048 -0.140 0.000 1.431 100 H CB 0.962 30.646 29.762 -0.130 0.000 1.890 100 H HN 0.403 nan 8.280 nan 0.000 0.762 101 R N -0.130 120.453 120.500 0.138 0.000 2.528 101 R HA 0.537 4.877 4.340 0.000 0.000 0.271 101 R C -1.352 174.974 176.300 0.043 0.000 1.056 101 R CA -0.657 55.481 56.100 0.064 0.000 1.117 101 R CB 0.248 30.582 30.300 0.058 0.000 1.085 101 R HN 0.209 nan 8.270 nan 0.000 0.530 102 V N 0.704 120.626 119.914 0.014 0.000 2.532 102 V HA 0.863 4.983 4.120 0.000 0.000 0.295 102 V C -0.201 175.910 176.094 0.028 0.000 1.041 102 V CA 0.146 62.446 62.300 0.000 0.000 0.926 102 V CB 0.989 32.802 31.823 -0.017 0.000 0.992 102 V HN 1.076 nan 8.190 nan 0.000 0.457 103 A N 3.462 126.309 122.820 0.045 0.000 2.601 103 A HA 0.532 4.853 4.320 0.000 0.000 0.303 103 A C -0.020 177.591 177.584 0.045 0.000 1.004 103 A CA -0.519 51.542 52.037 0.040 0.000 0.742 103 A CB 0.610 19.636 19.000 0.044 0.000 1.250 103 A HN 0.872 nan 8.150 nan 0.000 0.406 104 N N -1.277 117.416 118.700 -0.011 0.000 2.714 104 N HA -0.187 4.553 4.740 0.000 0.000 0.250 104 N C -0.562 174.819 175.510 -0.215 0.000 1.117 104 N CA 2.025 55.019 53.050 -0.094 0.000 0.719 104 N CB -1.300 37.171 38.487 -0.027 0.000 1.081 104 N HN 0.946 nan 8.380 nan 0.000 0.557 105 F N 1.497 121.267 119.950 -0.300 0.000 2.467 105 F HA 0.427 4.954 4.527 0.000 0.000 0.336 105 F C -0.149 175.477 175.800 -0.290 0.000 1.123 105 F CA -0.613 57.194 58.000 -0.320 0.000 0.964 105 F CB 1.164 40.136 39.000 -0.047 0.000 1.136 105 F HN 0.104 nan 8.300 nan 0.000 0.447 106 E N 3.186 122.810 120.200 -0.961 0.000 2.375 106 E HA 0.526 4.876 4.350 0.000 0.000 0.280 106 E C -1.909 174.364 176.600 -0.545 0.000 0.972 106 E CA -1.001 55.022 56.400 -0.627 0.000 0.782 106 E CB 2.122 31.594 29.700 -0.381 0.000 1.229 106 E HN 0.517 nan 8.360 nan 0.000 0.439 107 T N -1.251 113.086 114.554 -0.361 0.000 2.893 107 T HA 0.663 5.013 4.350 0.000 0.000 0.291 107 T C 0.598 175.231 174.700 -0.110 0.000 1.028 107 T CA -0.328 61.647 62.100 -0.208 0.000 0.995 107 T CB 1.744 70.506 68.868 -0.177 0.000 1.051 107 T HN 0.604 nan 8.240 nan 0.000 0.470 108 A N 1.942 124.724 122.820 -0.064 0.000 2.169 108 A HA 0.263 4.583 4.320 0.000 0.000 0.212 108 A C 0.831 178.390 177.584 -0.041 0.000 1.153 108 A CA 0.234 52.244 52.037 -0.044 0.000 0.756 108 A CB -0.407 18.578 19.000 -0.024 0.000 0.813 108 A HN 0.767 nan 8.150 nan 0.000 0.471 109 N N -0.707 117.966 118.700 -0.045 0.000 2.405 109 N HA 0.450 5.190 4.740 0.000 0.000 0.285 109 N C -3.145 172.327 175.510 -0.064 0.000 1.262 109 N CA -1.398 51.624 53.050 -0.047 0.000 0.773 109 N CB 0.988 39.455 38.487 -0.034 0.000 1.490 109 N HN -0.163 nan 8.380 nan 0.000 0.486 110 P HA 0.200 nan 4.420 nan 0.000 0.269 110 P C -0.632 176.571 177.300 -0.160 0.000 1.211 110 P CA 0.046 63.072 63.100 -0.122 0.000 0.781 110 P CB 0.506 32.116 31.700 -0.150 0.000 0.877 111 L N -2.074 119.023 121.223 -0.210 0.000 2.794 111 L HA 0.497 4.837 4.340 0.000 0.000 0.261 111 L C -1.498 175.193 176.870 -0.298 0.000 0.989 111 L CA -1.237 53.458 54.840 -0.243 0.000 0.900 111 L CB 0.915 42.942 42.059 -0.054 0.000 1.473 111 L HN 0.121 nan 8.230 nan 0.000 0.414 112 Y N 1.757 121.905 120.300 -0.253 0.000 2.425 112 Y HA 0.604 5.155 4.550 0.000 0.000 0.331 112 Y C 0.376 176.213 175.900 -0.105 0.000 1.157 112 Y CA 0.227 58.216 58.100 -0.184 0.000 1.372 112 Y CB 1.168 39.498 38.460 -0.217 0.000 1.253 112 Y HN 0.403 nan 8.280 nan 0.000 0.536 113 M N 4.130 123.771 119.600 0.068 0.000 2.183 113 M HA 0.331 4.811 4.480 0.000 0.000 0.277 113 M C -1.130 175.176 176.300 0.010 0.000 0.995 113 M CA -0.755 54.549 55.300 0.006 0.000 0.969 113 M CB 2.240 34.824 32.600 -0.026 0.000 1.659 113 M HN 0.441 nan 8.290 nan 0.000 0.462 114 R N 3.399 123.894 120.500 -0.009 0.000 2.337 114 R HA 0.771 5.111 4.340 0.000 0.000 0.319 114 R C -2.267 174.021 176.300 -0.021 0.000 0.954 114 R CA -0.249 55.855 56.100 0.006 0.000 0.840 114 R CB 0.782 31.106 30.300 0.040 0.000 1.164 114 R HN 0.641 nan 8.270 nan 0.000 0.472 115 L N 3.050 124.262 121.223 -0.017 0.000 2.438 115 L HA 0.523 4.863 4.340 0.000 0.000 0.270 115 L C -0.931 175.930 176.870 -0.014 0.000 0.972 115 L CA -0.176 54.652 54.840 -0.020 0.000 0.831 115 L CB 2.381 44.415 42.059 -0.042 0.000 1.273 115 L HN 0.664 nan 8.230 nan 0.000 0.405 116 E N 4.243 124.438 120.200 -0.009 0.000 2.308 116 E HA 0.398 4.748 4.350 0.000 0.000 0.275 116 E C -2.532 174.042 176.600 -0.044 0.000 0.890 116 E CA -1.783 54.592 56.400 -0.042 0.000 0.754 116 E CB 2.371 32.036 29.700 -0.059 0.000 1.207 116 E HN 0.220 nan 8.360 nan 0.000 0.426 117 P HA 0.035 nan 4.420 nan 0.000 0.252 117 P C -0.482 176.735 177.300 -0.138 0.000 1.727 117 P CA 0.036 63.097 63.100 -0.064 0.000 1.134 117 P CB -0.109 31.556 31.700 -0.058 0.000 1.876 118 V N -0.419 119.443 119.914 -0.087 0.000 3.156 118 V HA 0.781 4.901 4.120 0.000 0.000 0.311 118 V C 1.584 177.628 176.094 -0.083 0.000 1.208 118 V CA -0.354 61.881 62.300 -0.108 0.000 1.063 118 V CB 0.823 32.566 31.823 -0.134 0.000 1.098 118 V HN 0.203 nan 8.190 nan 0.000 0.452 119 G N 0.334 109.089 108.800 -0.075 0.000 2.448 119 G HA2 0.244 4.205 3.960 0.000 0.000 0.219 119 G HA3 0.244 4.205 3.960 0.000 0.000 0.219 119 G C 0.597 175.284 174.900 -0.354 0.000 1.127 119 G CA 1.191 46.229 45.100 -0.103 0.000 0.766 119 G HN 1.672 nan 8.290 nan 0.000 0.552 120 S N -3.032 112.309 115.700 -0.598 0.000 2.567 120 S HA 0.607 5.077 4.470 0.000 0.000 0.270 120 S C 0.560 174.815 174.600 -0.574 0.000 1.152 120 S CA 0.412 58.108 58.200 -0.840 0.000 0.835 120 S CB 1.136 64.177 63.200 -0.266 0.000 1.115 120 S HN 0.673 nan 8.310 nan 0.000 0.459 121 A N 1.741 124.394 122.820 -0.279 0.000 2.016 121 A HA 0.190 4.510 4.320 0.000 0.000 0.217 121 A C 2.125 179.735 177.584 0.043 0.000 1.162 121 A CA 1.644 53.697 52.037 0.025 0.000 0.662 121 A CB -1.295 17.828 19.000 0.204 0.000 0.812 121 A HN 0.966 nan 8.150 nan 0.000 0.450 122 S N 0.708 116.427 115.700 0.032 0.000 2.374 122 S HA -0.165 4.305 4.470 0.000 0.000 0.227 122 S C 2.228 176.877 174.600 0.083 0.000 1.037 122 S CA 1.708 59.946 58.200 0.063 0.000 1.024 122 S CB -0.323 62.891 63.200 0.023 0.000 0.861 122 S HN 0.695 nan 8.310 nan 0.000 0.456 123 S N 1.465 117.180 115.700 0.026 0.000 2.399 123 S HA -0.024 4.447 4.470 0.000 0.000 0.231 123 S C 1.743 176.422 174.600 0.131 0.000 1.022 123 S CA 1.112 59.355 58.200 0.071 0.000 0.983 123 S CB -0.413 62.790 63.200 0.005 0.000 0.803 123 S HN 0.480 nan 8.310 nan 0.000 0.480 124 I N 0.895 121.521 120.570 0.093 0.000 2.235 124 I HA -0.074 4.096 4.170 0.000 0.000 0.241 124 I C 2.184 178.416 176.117 0.191 0.000 1.085 124 I CA 0.570 61.937 61.300 0.113 0.000 1.378 124 I CB -0.705 37.337 38.000 0.070 0.000 1.076 124 I HN 0.089 nan 8.210 nan 0.000 0.415 125 V N 0.979 121.038 119.914 0.241 0.000 2.317 125 V HA -0.359 3.761 4.120 0.000 0.000 0.251 125 V C 2.436 178.799 176.094 0.449 0.000 1.065 125 V CA 2.469 64.999 62.300 0.384 0.000 1.049 125 V CB -0.934 31.146 31.823 0.429 0.000 0.651 125 V HN 0.474 nan 8.190 nan 0.000 0.450 126 Y N 1.298 121.743 120.300 0.242 0.000 2.145 126 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 126 Y C 2.685 178.708 175.900 0.205 0.000 1.145 126 Y CA 1.719 59.937 58.100 0.197 0.000 1.148 126 Y CB -0.374 38.105 38.460 0.032 0.000 0.981 126 Y HN 0.061 nan 8.280 nan 0.000 0.507 127 R N -0.328 120.143 120.500 -0.048 0.000 2.200 127 R HA -0.159 4.181 4.340 0.000 0.000 0.234 127 R C 2.113 178.375 176.300 -0.063 0.000 1.127 127 R CA 1.658 57.667 56.100 -0.152 0.000 0.989 127 R CB -0.299 30.004 30.300 0.005 0.000 0.869 127 R HN 0.473 nan 8.270 nan 0.000 0.459 128 M N -1.067 118.563 119.600 0.051 0.000 2.447 128 M HA -0.020 4.460 4.480 0.000 0.000 0.264 128 M C 1.238 177.506 176.300 -0.053 0.000 1.095 128 M CA 1.078 56.408 55.300 0.049 0.000 1.125 128 M CB 0.075 32.760 32.600 0.141 0.000 1.389 128 M HN 0.044 nan 8.290 nan 0.000 0.459 129 F N 1.107 120.983 119.950 -0.123 0.000 2.113 129 F HA -0.184 4.343 4.527 0.000 0.000 0.297 129 F C 2.348 178.043 175.800 -0.175 0.000 1.103 129 F CA 1.568 59.479 58.000 -0.147 0.000 1.248 129 F CB -0.215 38.720 39.000 -0.109 0.000 0.999 129 F HN -0.018 nan 8.300 nan 0.000 0.475 130 K N 0.178 120.534 120.400 -0.074 0.000 1.991 130 K HA -0.246 4.074 4.320 0.000 0.000 0.212 130 K C 1.922 178.486 176.600 -0.060 0.000 1.049 130 K CA 1.947 58.166 56.287 -0.113 0.000 0.932 130 K CB -0.516 31.847 32.500 -0.228 0.000 0.717 130 K HN 0.233 nan 8.250 nan 0.000 0.441 131 E N 0.468 120.637 120.200 -0.053 0.000 2.208 131 E HA -0.209 4.142 4.350 0.000 0.000 0.202 131 E C 1.299 177.892 176.600 -0.012 0.000 1.014 131 E CA 1.165 57.556 56.400 -0.014 0.000 0.819 131 E CB 0.028 29.739 29.700 0.018 0.000 0.735 131 E HN 0.271 nan 8.360 nan 0.000 0.469 132 N N -1.379 117.284 118.700 -0.062 0.000 2.236 132 N HA 0.038 4.778 4.740 0.000 0.000 0.196 132 N C 0.778 176.226 175.510 -0.103 0.000 1.114 132 N CA 0.819 53.804 53.050 -0.109 0.000 0.859 132 N CB 1.479 39.790 38.487 -0.293 0.000 0.982 132 N HN 0.238 nan 8.380 nan 0.000 0.493 133 G N 0.867 109.632 108.800 -0.057 0.000 2.166 133 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 133 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 133 G C 0.097 174.987 174.900 -0.016 0.000 0.986 133 G CA 0.353 45.435 45.100 -0.029 0.000 0.683 133 G HN 0.184 nan 8.290 nan 0.000 0.527 134 V N 1.370 121.272 119.914 -0.020 0.000 2.470 134 V HA 0.437 4.557 4.120 0.000 0.000 0.276 134 V C 1.274 177.507 176.094 0.233 0.000 1.040 134 V CA 0.152 62.495 62.300 0.071 0.000 1.008 134 V CB 1.244 33.050 31.823 -0.028 0.000 0.990 134 V HN 0.379 nan 8.190 nan 0.000 0.477 135 S N 3.670 119.466 115.700 0.160 0.000 2.568 135 S HA 0.221 4.691 4.470 0.000 0.000 0.282 135 S C 0.071 174.736 174.600 0.108 0.000 1.338 135 S CA -0.468 57.800 58.200 0.113 0.000 1.045 135 S CB 0.874 64.113 63.200 0.065 0.000 0.873 135 S HN 0.564 nan 8.310 nan 0.000 0.516 136 V N 5.524 125.399 119.914 -0.065 0.000 2.348 136 V HA 0.289 4.409 4.120 0.000 0.000 0.270 136 V C -2.083 173.860 176.094 -0.252 0.000 1.037 136 V CA -1.949 60.158 62.300 -0.322 0.000 0.872 136 V CB 0.268 31.867 31.823 -0.374 0.000 1.002 136 V HN 0.665 nan 8.190 nan 0.000 0.464 137 P HA 0.058 nan 4.420 nan 0.000 0.267 137 P C 0.973 178.136 177.300 -0.227 0.000 1.201 137 P CA -0.143 62.811 63.100 -0.244 0.000 0.775 137 P CB 0.852 32.347 31.700 -0.341 0.000 0.854 138 K N 2.076 122.390 120.400 -0.144 0.000 2.032 138 K HA -0.234 4.087 4.320 0.000 0.000 0.209 138 K C 1.731 178.238 176.600 -0.155 0.000 1.048 138 K CA 2.143 58.361 56.287 -0.115 0.000 0.927 138 K CB -0.056 32.422 32.500 -0.037 0.000 0.712 138 K HN 0.619 nan 8.250 nan 0.000 0.441 139 E N 0.712 120.838 120.200 -0.123 0.000 2.051 139 E HA -0.217 4.133 4.350 0.000 0.000 0.192 139 E C 2.220 178.651 176.600 -0.282 0.000 0.991 139 E CA 1.198 57.524 56.400 -0.122 0.000 0.799 139 E CB -0.534 29.144 29.700 -0.036 0.000 0.748 139 E HN 0.271 nan 8.360 nan 0.000 0.449 140 L N 0.952 122.001 121.223 -0.290 0.000 2.046 140 L HA -0.151 4.189 4.340 0.000 0.000 0.208 140 L C 2.841 179.487 176.870 -0.374 0.000 1.077 140 L CA 1.134 55.780 54.840 -0.323 0.000 0.747 140 L CB -0.726 41.096 42.059 -0.396 0.000 0.896 140 L HN 0.288 nan 8.230 nan 0.000 0.432 141 A N 0.368 122.952 122.820 -0.394 0.000 2.024 141 A HA -0.141 4.179 4.320 0.000 0.000 0.220 141 A C 2.353 179.650 177.584 -0.479 0.000 1.164 141 A CA 1.772 53.575 52.037 -0.390 0.000 0.643 141 A CB -1.026 17.779 19.000 -0.324 0.000 0.806 141 A HN 0.482 nan 8.150 nan 0.000 0.451 142 G N -0.501 107.867 108.800 -0.721 0.000 2.394 142 G HA2 -0.008 3.952 3.960 0.000 0.000 0.214 142 G HA3 -0.008 3.952 3.960 0.000 0.000 0.214 142 G C 1.379 175.735 174.900 -0.908 0.000 1.176 142 G CA 0.926 45.201 45.100 -1.375 0.000 0.786 142 G HN 0.347 nan 8.290 nan 0.000 0.533 143 L N 0.314 121.176 121.223 -0.603 0.000 2.042 143 L HA 0.005 4.346 4.340 0.000 0.000 0.210 143 L C 2.881 179.654 176.870 -0.161 0.000 1.076 143 L CA 1.123 55.813 54.840 -0.251 0.000 0.749 143 L CB -0.565 41.407 42.059 -0.144 0.000 0.893 143 L HN 0.171 nan 8.230 nan 0.000 0.432 144 L N -1.837 119.268 121.223 -0.197 0.000 1.976 144 L HA -0.248 4.093 4.340 0.000 0.000 0.209 144 L C 2.403 179.199 176.870 -0.123 0.000 1.071 144 L CA 0.953 55.717 54.840 -0.127 0.000 0.746 144 L CB -0.714 41.257 42.059 -0.147 0.000 0.890 144 L HN 0.242 nan 8.230 nan 0.000 0.432 145 L N -0.536 120.574 121.223 -0.188 0.000 1.963 145 L HA -0.294 4.046 4.340 0.000 0.000 0.220 145 L C 2.641 179.500 176.870 -0.018 0.000 1.076 145 L CA 2.169 56.934 54.840 -0.126 0.000 0.772 145 L CB -0.942 41.022 42.059 -0.159 0.000 0.892 145 L HN 0.163 nan 8.230 nan 0.000 0.435 146 S N -0.112 115.611 115.700 0.038 0.000 2.393 146 S HA -0.276 4.195 4.470 0.000 0.000 0.234 146 S C 1.884 176.527 174.600 0.071 0.000 1.064 146 S CA 1.547 59.828 58.200 0.134 0.000 1.088 146 S CB -1.323 61.992 63.200 0.192 0.000 0.939 146 S HN 0.798 nan 8.310 nan 0.000 0.448 147 G N 0.996 109.819 108.800 0.039 0.000 2.442 147 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 147 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 147 G C 1.389 176.306 174.900 0.027 0.000 1.141 147 G CA 1.165 46.290 45.100 0.043 0.000 0.763 147 G HN 0.478 nan 8.290 nan 0.000 0.554 148 L N 0.422 121.645 121.223 0.000 0.000 2.109 148 L HA 0.201 4.541 4.340 0.000 0.000 0.207 148 L C 2.583 179.454 176.870 0.002 0.000 1.086 148 L CA 1.198 56.027 54.840 -0.017 0.000 0.760 148 L CB -0.270 41.767 42.059 -0.037 0.000 0.910 148 L HN 0.246 nan 8.230 nan 0.000 0.437 149 I N -1.131 119.450 120.570 0.019 0.000 2.315 149 I HA -0.253 3.917 4.170 0.000 0.000 0.248 149 I C 2.610 178.739 176.117 0.019 0.000 1.117 149 I CA 1.350 62.663 61.300 0.021 0.000 1.404 149 I CB -0.479 37.543 38.000 0.036 0.000 1.071 149 I HN 0.297 nan 8.210 nan 0.000 0.419 150 S N 0.499 116.219 115.700 0.033 0.000 2.355 150 S HA -0.192 4.278 4.470 0.000 0.000 0.222 150 S C 1.579 176.210 174.600 0.053 0.000 1.031 150 S CA 1.631 59.856 58.200 0.041 0.000 0.993 150 S CB -0.187 63.049 63.200 0.060 0.000 0.859 150 S HN 0.367 nan 8.310 nan 0.000 0.453 151 D N 0.103 120.540 120.400 0.062 0.000 2.312 151 D HA 0.013 4.653 4.640 0.000 0.000 0.211 151 D C 1.790 178.124 176.300 0.057 0.000 0.964 151 D CA 1.377 55.426 54.000 0.083 0.000 0.877 151 D CB -0.044 40.816 40.800 0.101 0.000 0.924 151 D HN 0.625 nan 8.370 nan 0.000 0.515 152 T N -2.727 111.846 114.554 0.032 0.000 3.010 152 T HA 0.219 4.569 4.350 0.000 0.000 0.257 152 T C 0.903 175.613 174.700 0.016 0.000 1.020 152 T CA -0.371 61.743 62.100 0.023 0.000 0.938 152 T CB 0.054 68.929 68.868 0.012 0.000 1.049 152 T HN 0.075 nan 8.240 nan 0.000 0.522 153 L N 1.734 122.965 121.223 0.013 0.000 3.671 153 L HA -0.131 4.209 4.340 0.000 0.000 0.609 153 L C 0.423 177.291 176.870 -0.002 0.000 1.251 153 L CA -0.153 54.689 54.840 0.002 0.000 0.934 153 L CB -1.823 40.237 42.059 0.003 0.000 1.496 153 L HN 0.483 nan 8.230 nan 0.000 0.854 154 L N 2.167 123.388 121.223 -0.003 0.000 3.965 154 L HA -0.290 4.050 4.340 0.000 0.000 0.499 154 L C 1.111 177.981 176.870 0.001 0.000 1.194 154 L CA 1.111 55.950 54.840 -0.001 0.000 0.707 154 L CB -0.308 41.746 42.059 -0.008 0.000 1.414 154 L HN 0.666 nan 8.230 nan 0.000 0.802 155 L N -0.667 120.558 121.223 0.004 0.000 4.351 155 L HA -0.306 4.034 4.340 0.000 0.000 0.410 155 L C 1.096 177.969 176.870 0.004 0.000 1.150 155 L CA 1.586 56.428 54.840 0.004 0.000 0.961 155 L CB -1.189 40.871 42.059 0.001 0.000 2.130 155 L HN 0.752 nan 8.230 nan 0.000 0.787 156 K N -1.953 118.450 120.400 0.005 0.000 2.501 156 K HA 0.336 4.656 4.320 0.000 0.000 0.204 156 K C 0.435 177.039 176.600 0.007 0.000 1.067 156 K CA 0.086 56.376 56.287 0.004 0.000 1.060 156 K CB 1.219 33.720 32.500 0.002 0.000 0.873 156 K HN 0.105 nan 8.250 nan 0.000 0.540 157 S N 2.220 117.927 115.700 0.011 0.000 2.586 157 S HA 0.262 4.732 4.470 0.000 0.000 0.274 157 S C -1.669 172.943 174.600 0.019 0.000 1.281 157 S CA -1.679 56.530 58.200 0.015 0.000 1.035 157 S CB 0.753 63.966 63.200 0.022 0.000 0.962 157 S HN 0.062 nan 8.310 nan 0.000 0.512 158 P HA -0.008 nan 4.420 nan 0.000 0.234 158 P C 1.158 178.478 177.300 0.034 0.000 1.167 158 P CA 0.798 63.911 63.100 0.021 0.000 0.763 158 P CB -0.567 31.142 31.700 0.016 0.000 0.835 159 T N -4.670 109.907 114.554 0.039 0.000 3.035 159 T HA -0.017 4.333 4.350 0.000 0.000 0.268 159 T C 1.025 175.764 174.700 0.065 0.000 1.109 159 T CA 0.370 62.502 62.100 0.054 0.000 1.119 159 T CB -1.497 67.408 68.868 0.061 0.000 0.900 159 T HN -0.034 nan 8.240 nan 0.000 0.503 160 T N 2.890 117.474 114.554 0.051 0.000 2.822 160 T HA -0.021 4.329 4.350 0.000 0.000 0.288 160 T C -0.301 174.452 174.700 0.087 0.000 0.991 160 T CA 0.242 62.373 62.100 0.051 0.000 1.176 160 T CB -0.257 68.626 68.868 0.024 0.000 0.951 160 T HN 0.443 nan 8.240 nan 0.000 0.526 161 H N 2.354 121.421 119.070 -0.005 0.000 2.472 161 H HA 0.476 5.032 4.556 0.000 0.000 0.338 161 H C 1.131 176.461 175.328 0.003 0.000 1.133 161 H CA -0.385 55.663 56.048 0.000 0.000 1.216 161 H CB 1.496 31.258 29.762 0.001 0.000 1.497 161 H HN 0.694 nan 8.280 nan 0.000 0.500 162 A N 3.231 125.757 122.820 -0.491 0.000 1.896 162 A HA -0.308 4.013 4.320 0.000 0.000 0.220 162 A C 2.466 179.995 177.584 -0.091 0.000 1.206 162 A CA 2.911 54.785 52.037 -0.270 0.000 0.647 162 A CB -1.228 17.579 19.000 -0.321 0.000 0.828 162 A HN 0.849 nan 8.150 nan 0.000 0.455 163 S N 0.080 115.782 115.700 0.003 0.000 2.407 163 S HA -0.270 4.200 4.470 0.000 0.000 0.235 163 S C 1.353 176.020 174.600 0.112 0.000 1.036 163 S CA 1.733 60.017 58.200 0.140 0.000 1.013 163 S CB -0.764 62.609 63.200 0.288 0.000 0.820 163 S HN 0.599 nan 8.310 nan 0.000 0.476 164 D N 1.605 122.068 120.400 0.104 0.000 2.218 164 D HA 0.029 4.669 4.640 0.000 0.000 0.204 164 D C 1.910 178.225 176.300 0.024 0.000 0.976 164 D CA 0.989 55.024 54.000 0.059 0.000 0.853 164 D CB -0.311 40.517 40.800 0.046 0.000 0.939 164 D HN 0.481 nan 8.370 nan 0.000 0.481 165 I N 1.913 122.492 120.570 0.015 0.000 2.099 165 I HA -0.218 3.952 4.170 0.000 0.000 0.239 165 I C -0.411 175.708 176.117 0.004 0.000 1.066 165 I CA 1.352 62.653 61.300 0.002 0.000 1.324 165 I CB -1.696 36.300 38.000 -0.007 0.000 1.037 165 I HN 0.043 nan 8.210 nan 0.000 0.401 166 P HA -0.092 nan 4.420 nan 0.000 0.217 166 P C 1.968 179.281 177.300 0.021 0.000 1.150 166 P CA 1.311 64.427 63.100 0.027 0.000 0.832 166 P CB -0.127 31.604 31.700 0.051 0.000 0.787 167 V N 1.051 120.987 119.914 0.038 0.000 2.324 167 V HA -0.276 3.844 4.120 0.000 0.000 0.250 167 V C 2.861 178.864 176.094 -0.151 0.000 1.060 167 V CA 2.302 64.592 62.300 -0.016 0.000 1.042 167 V CB -1.777 30.069 31.823 0.038 0.000 0.650 167 V HN 0.130 nan 8.190 nan 0.000 0.450 168 A N -0.321 122.450 122.820 -0.082 0.000 1.858 168 A HA -0.262 4.058 4.320 0.000 0.000 0.216 168 A C 2.369 179.896 177.584 -0.095 0.000 1.190 168 A CA 2.181 54.166 52.037 -0.087 0.000 0.617 168 A CB -0.573 18.402 19.000 -0.040 0.000 0.827 168 A HN 0.482 nan 8.150 nan 0.000 0.443 169 K N -0.309 120.054 120.400 -0.062 0.000 2.020 169 K HA -0.243 4.078 4.320 0.000 0.000 0.212 169 K C 1.979 178.531 176.600 -0.080 0.000 1.050 169 K CA 2.091 58.347 56.287 -0.051 0.000 0.929 169 K CB -0.229 32.257 32.500 -0.023 0.000 0.714 169 K HN 0.637 nan 8.250 nan 0.000 0.443 170 E N 0.354 120.493 120.200 -0.101 0.000 2.106 170 E HA -0.133 4.217 4.350 0.000 0.000 0.192 170 E C 2.145 178.603 176.600 -0.235 0.000 0.984 170 E CA 0.880 57.211 56.400 -0.116 0.000 0.806 170 E CB 0.032 29.718 29.700 -0.023 0.000 0.750 170 E HN 0.273 nan 8.360 nan 0.000 0.458 171 L N 0.424 121.422 121.223 -0.374 0.000 2.027 171 L HA -0.160 4.180 4.340 0.000 0.000 0.206 171 L C 2.579 179.303 176.870 -0.243 0.000 1.074 171 L CA 0.892 55.492 54.840 -0.399 0.000 0.745 171 L CB -0.471 41.326 42.059 -0.437 0.000 0.898 171 L HN 0.155 nan 8.230 nan 0.000 0.433 172 A N 0.117 122.832 122.820 -0.174 0.000 1.903 172 A HA -0.348 3.973 4.320 0.000 0.000 0.219 172 A C 2.200 179.724 177.584 -0.099 0.000 1.191 172 A CA 2.400 54.367 52.037 -0.117 0.000 0.638 172 A CB -0.721 18.236 19.000 -0.072 0.000 0.823 172 A HN 0.517 nan 8.150 nan 0.000 0.451 173 E N -0.308 119.838 120.200 -0.090 0.000 2.038 173 E HA -0.183 4.167 4.350 0.000 0.000 0.195 173 E C 1.805 178.364 176.600 -0.069 0.000 1.000 173 E CA 1.483 57.845 56.400 -0.063 0.000 0.803 173 E CB -0.287 29.383 29.700 -0.049 0.000 0.750 173 E HN 0.600 nan 8.360 nan 0.000 0.448 174 L N 0.117 121.280 121.223 -0.099 0.000 2.362 174 L HA -0.073 4.267 4.340 0.000 0.000 0.219 174 L C 2.303 179.113 176.870 -0.100 0.000 1.134 174 L CA 0.824 55.605 54.840 -0.098 0.000 0.807 174 L CB -0.202 41.783 42.059 -0.123 0.000 0.927 174 L HN 0.224 nan 8.230 nan 0.000 0.447 175 A N -0.292 122.464 122.820 -0.108 0.000 1.943 175 A HA 0.350 4.670 4.320 0.000 0.000 0.213 175 A C 1.609 179.212 177.584 0.032 0.000 1.181 175 A CA 0.685 52.690 52.037 -0.054 0.000 0.653 175 A CB -0.341 18.584 19.000 -0.125 0.000 0.833 175 A HN 0.404 nan 8.150 nan 0.000 0.451 176 G N -0.482 108.310 108.800 -0.012 0.000 2.473 176 G HA2 0.125 4.085 3.960 0.000 0.000 0.289 176 G HA3 0.125 4.085 3.960 0.000 0.000 0.289 176 G C -0.150 174.749 174.900 -0.001 0.000 1.084 176 G CA 0.396 45.498 45.100 0.003 0.000 1.215 176 G HN 1.798 nan 8.290 nan 0.000 0.527 177 V N -2.135 117.749 119.914 -0.049 0.000 3.087 177 V HA 0.739 4.859 4.120 0.000 0.000 0.306 177 V C 0.129 176.206 176.094 -0.028 0.000 1.187 177 V CA -1.512 60.738 62.300 -0.084 0.000 0.999 177 V CB 2.047 33.670 31.823 -0.333 0.000 1.049 177 V HN 0.535 nan 8.190 nan 0.000 0.431 178 N N 1.288 120.001 118.700 0.021 0.000 2.514 178 N HA 0.187 4.927 4.740 0.000 0.000 0.277 178 N C 0.606 176.159 175.510 0.070 0.000 1.126 178 N CA -0.263 52.810 53.050 0.038 0.000 0.978 178 N CB 1.787 40.301 38.487 0.045 0.000 1.106 178 N HN 0.916 nan 8.380 nan 0.000 0.461 179 L N 4.300 125.552 121.223 0.049 0.000 1.976 179 L HA -0.105 4.235 4.340 0.000 0.000 0.209 179 L C 2.055 178.968 176.870 0.071 0.000 1.071 179 L CA 1.709 56.588 54.840 0.065 0.000 0.746 179 L CB -0.407 41.668 42.059 0.026 0.000 0.890 179 L HN 0.587 nan 8.230 nan 0.000 0.432 180 E N -0.101 120.125 120.200 0.043 0.000 2.118 180 E HA -0.270 4.080 4.350 0.000 0.000 0.195 180 E C 2.161 178.781 176.600 0.033 0.000 0.992 180 E CA 1.645 58.063 56.400 0.029 0.000 0.804 180 E CB -0.134 29.578 29.700 0.020 0.000 0.741 180 E HN 0.663 nan 8.360 nan 0.000 0.458 181 E N -0.850 119.384 120.200 0.058 0.000 2.060 181 E HA -0.109 4.241 4.350 0.000 0.000 0.189 181 E C 2.001 178.656 176.600 0.091 0.000 0.974 181 E CA 0.300 56.739 56.400 0.065 0.000 0.808 181 E CB -0.066 29.680 29.700 0.077 0.000 0.768 181 E HN 0.218 nan 8.360 nan 0.000 0.453 182 Y N 0.716 121.012 120.300 -0.008 0.000 2.220 182 Y HA -0.017 4.533 4.550 0.000 0.000 0.291 182 Y C 1.990 177.888 175.900 -0.003 0.000 1.129 182 Y CA 1.707 59.795 58.100 -0.020 0.000 1.161 182 Y CB -0.703 37.694 38.460 -0.106 0.000 0.997 182 Y HN 0.034 nan 8.280 nan 0.000 0.522 183 G N 1.320 110.113 108.800 -0.010 0.000 2.681 183 G HA2 -0.373 3.587 3.960 0.000 0.000 0.220 183 G HA3 -0.373 3.587 3.960 0.000 0.000 0.220 183 G C 1.636 176.441 174.900 -0.160 0.000 1.210 183 G CA 1.808 46.853 45.100 -0.092 0.000 0.783 183 G HN 0.460 nan 8.290 nan 0.000 0.609 184 L N 0.031 121.195 121.223 -0.099 0.000 2.187 184 L HA -0.036 4.304 4.340 0.000 0.000 0.213 184 L C 2.842 179.615 176.870 -0.161 0.000 1.100 184 L CA 1.157 55.936 54.840 -0.102 0.000 0.765 184 L CB -0.115 41.910 42.059 -0.056 0.000 0.904 184 L HN 0.154 nan 8.230 nan 0.000 0.437 185 E N -0.506 119.569 120.200 -0.209 0.000 2.216 185 E HA -0.157 4.194 4.350 0.000 0.000 0.192 185 E C 2.059 178.325 176.600 -0.557 0.000 0.988 185 E CA 1.203 57.431 56.400 -0.288 0.000 0.834 185 E CB 0.090 29.704 29.700 -0.143 0.000 0.772 185 E HN 0.630 nan 8.360 nan 0.000 0.479 186 M N -1.740 117.536 119.600 -0.539 0.000 2.429 186 M HA 0.103 4.583 4.480 0.000 0.000 0.265 186 M C 2.041 178.151 176.300 -0.315 0.000 1.120 186 M CA 0.783 55.754 55.300 -0.548 0.000 1.173 186 M CB -0.418 31.920 32.600 -0.436 0.000 1.343 186 M HN -0.113 nan 8.290 nan 0.000 0.464 187 L N 1.099 122.188 121.223 -0.224 0.000 2.021 187 L HA -0.196 4.144 4.340 0.000 0.000 0.215 187 L C 2.686 179.470 176.870 -0.143 0.000 1.074 187 L CA 1.760 56.519 54.840 -0.135 0.000 0.760 187 L CB -0.875 41.126 42.059 -0.098 0.000 0.889 187 L HN 0.446 nan 8.230 nan 0.000 0.433 188 K N 0.154 120.444 120.400 -0.184 0.000 2.574 188 K HA -0.067 4.254 4.320 0.000 0.000 0.193 188 K C 1.567 178.051 176.600 -0.192 0.000 1.035 188 K CA 0.705 56.894 56.287 -0.163 0.000 0.982 188 K CB 0.075 32.482 32.500 -0.155 0.000 0.795 188 K HN 0.312 nan 8.250 nan 0.000 0.491 189 A N -0.253 122.411 122.820 -0.260 0.000 2.275 189 A HA 0.162 4.482 4.320 0.000 0.000 0.212 189 A C 1.544 179.069 177.584 -0.098 0.000 1.201 189 A CA 0.495 52.400 52.037 -0.220 0.000 0.843 189 A CB 0.207 18.994 19.000 -0.356 0.000 0.873 189 A HN 0.371 nan 8.150 nan 0.000 0.492 190 G N -1.015 107.736 108.800 -0.083 0.000 3.044 190 G HA2 0.152 4.112 3.960 0.000 0.000 0.223 190 G HA3 0.152 4.112 3.960 0.000 0.000 0.223 190 G C 1.197 176.083 174.900 -0.024 0.000 1.123 190 G CA 1.088 46.167 45.100 -0.035 0.000 0.765 190 G HN 0.537 nan 8.290 nan 0.000 0.546 191 T N -2.279 112.252 114.554 -0.037 0.000 3.044 191 T HA 0.112 4.462 4.350 0.000 0.000 0.250 191 T C 1.065 175.754 174.700 -0.018 0.000 1.081 191 T CA -0.374 61.711 62.100 -0.025 0.000 1.040 191 T CB -0.047 68.803 68.868 -0.031 0.000 0.962 191 T HN 0.081 nan 8.240 nan 0.000 0.506 192 N N 1.890 120.578 118.700 -0.021 0.000 2.383 192 N HA 0.055 4.795 4.740 0.000 0.000 0.295 192 N C 0.539 176.048 175.510 -0.002 0.000 1.281 192 N CA 0.107 53.150 53.050 -0.012 0.000 1.048 192 N CB -0.188 38.292 38.487 -0.012 0.000 1.455 192 N HN 0.508 nan 8.380 nan 0.000 0.488 193 L N 1.563 122.785 121.223 -0.002 0.000 2.467 193 L HA -0.012 4.328 4.340 0.000 0.000 0.213 193 L C 2.160 179.033 176.870 0.004 0.000 1.053 193 L CA 0.213 55.055 54.840 0.004 0.000 0.847 193 L CB -0.316 41.746 42.059 0.004 0.000 1.075 193 L HN 0.387 nan 8.230 nan 0.000 0.479 194 S N -0.230 115.470 115.700 0.001 0.000 2.419 194 S HA -0.182 4.289 4.470 0.000 0.000 0.233 194 S C 1.974 176.577 174.600 0.004 0.000 1.016 194 S CA 1.203 59.403 58.200 0.001 0.000 0.974 194 S CB -0.643 62.556 63.200 -0.001 0.000 0.786 194 S HN 0.510 nan 8.310 nan 0.000 0.492 195 S N 0.860 116.564 115.700 0.005 0.000 2.595 195 S HA 0.063 4.533 4.470 0.000 0.000 0.235 195 S C 0.433 175.039 174.600 0.011 0.000 0.974 195 S CA 0.159 58.364 58.200 0.008 0.000 0.942 195 S CB -0.295 62.911 63.200 0.010 0.000 0.766 195 S HN 0.199 nan 8.310 nan 0.000 0.536 196 K N 3.382 123.789 120.400 0.011 0.000 2.274 196 K HA 0.303 4.623 4.320 0.000 0.000 0.262 196 K C 0.159 176.767 176.600 0.013 0.000 0.961 196 K CA -0.201 56.095 56.287 0.015 0.000 0.833 196 K CB 1.614 34.125 32.500 0.019 0.000 1.102 196 K HN 0.483 nan 8.250 nan 0.000 0.436 197 T N -1.087 113.475 114.554 0.014 0.000 2.802 197 T HA 0.135 4.486 4.350 0.000 0.000 0.305 197 T C 1.532 176.238 174.700 0.010 0.000 1.053 197 T CA -0.021 62.085 62.100 0.010 0.000 1.058 197 T CB 0.872 69.747 68.868 0.011 0.000 0.988 197 T HN 0.495 nan 8.240 nan 0.000 0.539 198 A N 1.187 124.009 122.820 0.002 0.000 1.972 198 A HA 0.179 4.499 4.320 0.000 0.000 0.219 198 A C 2.598 180.181 177.584 -0.002 0.000 1.169 198 A CA 1.695 53.729 52.037 -0.005 0.000 0.635 198 A CB -1.456 17.535 19.000 -0.016 0.000 0.810 198 A HN 1.178 nan 8.150 nan 0.000 0.446 199 A N -0.185 122.639 122.820 0.006 0.000 1.855 199 A HA -0.132 4.188 4.320 0.000 0.000 0.215 199 A C 1.886 179.494 177.584 0.039 0.000 1.191 199 A CA 1.591 53.640 52.037 0.019 0.000 0.613 199 A CB -0.631 18.381 19.000 0.021 0.000 0.829 199 A HN 0.566 nan 8.150 nan 0.000 0.442 200 E N -0.236 119.985 120.200 0.035 0.000 2.086 200 E HA -0.213 4.137 4.350 0.000 0.000 0.200 200 E C 1.971 178.603 176.600 0.053 0.000 1.012 200 E CA 1.148 57.574 56.400 0.043 0.000 0.812 200 E CB -0.270 29.450 29.700 0.034 0.000 0.743 200 E HN 0.474 nan 8.360 nan 0.000 0.453 201 L N 1.032 122.281 121.223 0.043 0.000 1.976 201 L HA -0.237 4.103 4.340 0.000 0.000 0.223 201 L C 2.448 179.365 176.870 0.078 0.000 1.081 201 L CA 2.130 56.999 54.840 0.047 0.000 0.784 201 L CB -0.753 41.324 42.059 0.029 0.000 0.896 201 L HN 0.320 nan 8.230 nan 0.000 0.438 202 I N -3.870 116.755 120.570 0.092 0.000 3.444 202 I HA -0.062 4.108 4.170 0.000 0.000 0.287 202 I C 0.740 177.000 176.117 0.238 0.000 1.302 202 I CA 0.821 62.233 61.300 0.186 0.000 1.368 202 I CB -0.406 37.679 38.000 0.142 0.000 1.048 202 I HN 0.178 nan 8.210 nan 0.000 0.487 203 D N 0.395 120.887 120.400 0.153 0.000 2.538 203 D HA 0.305 4.945 4.640 0.000 0.000 0.231 203 D C 1.548 177.904 176.300 0.094 0.000 1.229 203 D CA 0.010 54.089 54.000 0.133 0.000 0.828 203 D CB 0.272 41.146 40.800 0.124 0.000 1.035 203 D HN 0.297 nan 8.370 nan 0.000 0.495 204 I N -0.431 120.193 120.570 0.089 0.000 2.270 204 I HA 0.001 4.171 4.170 0.000 0.000 0.239 204 I C 0.579 176.743 176.117 0.079 0.000 1.080 204 I CA 0.728 62.073 61.300 0.075 0.000 1.383 204 I CB 0.375 38.415 38.000 0.066 0.000 1.097 204 I HN -0.015 nan 8.210 nan 0.000 0.420 205 D N 1.134 121.581 120.400 0.078 0.000 2.441 205 D HA 0.489 5.129 4.640 0.000 0.000 0.287 205 D C -1.060 175.265 176.300 0.043 0.000 1.198 205 D CA -0.012 54.032 54.000 0.074 0.000 0.894 205 D CB 0.794 41.641 40.800 0.079 0.000 1.070 205 D HN 0.161 nan 8.370 nan 0.000 0.499 206 A N 2.503 125.332 122.820 0.015 0.000 2.374 206 A HA 0.731 5.051 4.320 0.000 0.000 0.305 206 A C -0.553 176.965 177.584 -0.109 0.000 1.053 206 A CA -0.737 51.270 52.037 -0.050 0.000 0.726 206 A CB 1.376 20.350 19.000 -0.044 0.000 1.229 206 A HN 0.224 nan 8.150 nan 0.000 0.431 207 K N 0.725 121.036 120.400 -0.148 0.000 2.385 207 K HA 0.721 5.041 4.320 0.000 0.000 0.248 207 K C -0.992 175.418 176.600 -0.317 0.000 0.955 207 K CA -0.611 55.510 56.287 -0.276 0.000 0.816 207 K CB 2.472 34.759 32.500 -0.355 0.000 1.250 207 K HN 0.632 nan 8.250 nan 0.000 0.434 208 T N 1.552 115.829 114.554 -0.461 0.000 2.823 208 T HA 0.554 4.904 4.350 0.000 0.000 0.279 208 T C -0.959 173.422 174.700 -0.531 0.000 0.998 208 T CA -0.563 61.327 62.100 -0.351 0.000 0.994 208 T CB 0.326 69.078 68.868 -0.193 0.000 0.960 208 T HN 0.229 nan 8.240 nan 0.000 0.448 209 F N 1.548 121.401 119.950 -0.161 0.000 2.518 209 F HA 0.344 4.871 4.527 0.000 0.000 0.323 209 F C 0.489 176.214 175.800 -0.125 0.000 1.129 209 F CA -1.128 56.787 58.000 -0.141 0.000 0.920 209 F CB 1.555 40.447 39.000 -0.181 0.000 1.160 209 F HN 0.355 nan 8.300 nan 0.000 0.440 210 E N 5.395 125.629 120.200 0.056 0.000 2.070 210 E HA 0.289 4.639 4.350 0.000 0.000 0.282 210 E C -0.755 175.851 176.600 0.010 0.000 1.104 210 E CA -0.079 56.338 56.400 0.029 0.000 0.876 210 E CB 0.976 30.690 29.700 0.023 0.000 1.055 210 E HN 0.552 nan 8.360 nan 0.000 0.401 211 L N 2.760 123.966 121.223 -0.029 0.000 2.366 211 L HA 0.303 4.643 4.340 0.000 0.000 0.266 211 L C -0.193 176.730 176.870 0.089 0.000 1.010 211 L CA -0.783 54.030 54.840 -0.046 0.000 0.879 211 L CB -0.061 41.796 42.059 -0.337 0.000 1.228 211 L HN 0.444 nan 8.230 nan 0.000 0.439 212 N N 1.963 120.713 118.700 0.083 0.000 2.727 212 N HA -0.207 4.533 4.740 0.000 0.000 0.251 212 N C 1.107 176.672 175.510 0.091 0.000 1.040 212 N CA 0.613 53.719 53.050 0.093 0.000 0.712 212 N CB -0.857 37.704 38.487 0.123 0.000 0.912 212 N HN 1.087 nan 8.380 nan 0.000 0.545 213 G N -1.086 107.754 108.800 0.068 0.000 2.205 213 G HA2 -0.380 3.580 3.960 0.000 0.000 0.269 213 G HA3 -0.380 3.580 3.960 0.000 0.000 0.269 213 G C -0.195 174.756 174.900 0.086 0.000 0.977 213 G CA 0.686 45.825 45.100 0.064 0.000 0.652 213 G HN 0.524 nan 8.290 nan 0.000 0.539 214 E N 0.682 120.952 120.200 0.116 0.000 2.105 214 E HA 0.532 4.882 4.350 0.000 0.000 0.285 214 E C 0.578 177.238 176.600 0.100 0.000 1.055 214 E CA 0.320 56.808 56.400 0.146 0.000 0.843 214 E CB 1.040 30.905 29.700 0.275 0.000 1.067 214 E HN 0.672 nan 8.360 nan 0.000 0.398 215 A N 3.606 126.497 122.820 0.119 0.000 2.438 215 A HA 0.261 4.581 4.320 0.000 0.000 0.280 215 A C 0.075 177.725 177.584 0.111 0.000 1.160 215 A CA -0.421 51.688 52.037 0.121 0.000 0.821 215 A CB 0.131 19.246 19.000 0.192 0.000 1.101 215 A HN 0.349 nan 8.150 nan 0.000 0.515 216 V N 4.680 124.603 119.914 0.014 0.000 2.334 216 V HA 0.345 4.465 4.120 0.000 0.000 0.281 216 V C 0.281 176.292 176.094 -0.140 0.000 1.016 216 V CA -0.710 61.556 62.300 -0.058 0.000 0.832 216 V CB 1.038 32.761 31.823 -0.167 0.000 0.999 216 V HN 0.925 nan 8.190 nan 0.000 0.439 217 R N 5.005 125.264 120.500 -0.402 0.000 2.216 217 R HA 0.523 4.863 4.340 0.000 0.000 0.332 217 R C -1.209 174.684 176.300 -0.680 0.000 1.056 217 R CA -0.202 55.467 56.100 -0.718 0.000 0.901 217 R CB 0.898 30.258 30.300 -1.566 0.000 1.039 217 R HN 0.439 nan 8.270 nan 0.000 0.456 218 V N 4.500 124.186 119.914 -0.379 0.000 2.378 218 V HA 0.769 4.889 4.120 0.000 0.000 0.288 218 V C -0.148 175.816 176.094 -0.216 0.000 1.016 218 V CA -0.546 61.596 62.300 -0.264 0.000 0.840 218 V CB 1.137 32.899 31.823 -0.101 0.000 0.994 218 V HN 0.945 nan 8.190 nan 0.000 0.431 219 A N 4.419 127.107 122.820 -0.221 0.000 2.354 219 A HA 0.935 5.255 4.320 0.000 0.000 0.321 219 A C -0.757 176.856 177.584 0.048 0.000 1.125 219 A CA -0.672 51.335 52.037 -0.050 0.000 0.799 219 A CB 2.094 21.137 19.000 0.071 0.000 1.293 219 A HN 0.735 nan 8.150 nan 0.000 0.452 220 Q N -0.055 119.784 119.800 0.065 0.000 2.340 220 Q HA 0.597 4.937 4.340 0.000 0.000 0.276 220 Q C -1.860 174.178 176.000 0.063 0.000 1.048 220 Q CA -0.706 55.133 55.803 0.060 0.000 0.832 220 Q CB 2.415 31.180 28.738 0.045 0.000 1.373 220 Q HN 0.996 nan 8.270 nan 0.000 0.409 221 V N 0.338 120.283 119.914 0.052 0.000 2.588 221 V HA 0.570 4.690 4.120 0.000 0.000 0.304 221 V C -0.738 175.372 176.094 0.026 0.000 1.042 221 V CA -0.907 61.418 62.300 0.042 0.000 0.877 221 V CB 1.698 33.546 31.823 0.042 0.000 0.996 221 V HN 0.812 nan 8.190 nan 0.000 0.425 222 N N 2.161 120.874 118.700 0.022 0.000 2.408 222 N HA 0.549 5.289 4.740 0.000 0.000 0.257 222 N C -0.419 175.093 175.510 0.003 0.000 1.064 222 N CA -0.114 52.943 53.050 0.011 0.000 0.952 222 N CB 1.417 39.909 38.487 0.009 0.000 1.093 222 N HN 0.872 nan 8.380 nan 0.000 0.490 223 T N 0.241 114.795 114.554 0.000 0.000 2.865 223 T HA 0.309 4.659 4.350 0.000 0.000 0.294 223 T C 1.162 175.859 174.700 -0.006 0.000 1.119 223 T CA -0.750 61.348 62.100 -0.004 0.000 1.007 223 T CB 1.338 70.205 68.868 -0.001 0.000 1.225 223 T HN 0.140 nan 8.240 nan 0.000 0.515 224 V N -0.388 119.521 119.914 -0.009 0.000 2.685 224 V HA 0.356 4.476 4.120 0.000 0.000 0.244 224 V C 0.501 176.593 176.094 -0.003 0.000 1.054 224 V CA 0.701 62.996 62.300 -0.008 0.000 1.076 224 V CB -0.337 31.478 31.823 -0.014 0.000 0.725 224 V HN 0.754 nan 8.190 nan 0.000 0.467 225 D N -1.017 119.380 120.400 -0.004 0.000 2.542 225 D HA 0.460 5.100 4.640 0.000 0.000 0.252 225 D C 0.786 177.082 176.300 -0.006 0.000 1.222 225 D CA -0.525 53.472 54.000 -0.004 0.000 0.895 225 D CB 1.313 42.107 40.800 -0.010 0.000 1.207 225 D HN 0.074 nan 8.370 nan 0.000 0.558 226 I N 2.469 123.039 120.570 0.001 0.000 2.300 226 I HA -0.318 3.852 4.170 0.000 0.000 0.252 226 I C 1.557 177.656 176.117 -0.030 0.000 1.119 226 I CA 0.880 62.176 61.300 -0.006 0.000 1.384 226 I CB -0.114 37.895 38.000 0.016 0.000 1.062 226 I HN 0.441 nan 8.210 nan 0.000 0.426 227 N N 0.635 119.316 118.700 -0.032 0.000 2.300 227 N HA -0.126 4.615 4.740 0.000 0.000 0.179 227 N C 1.250 176.741 175.510 -0.032 0.000 1.016 227 N CA 1.224 54.249 53.050 -0.041 0.000 0.876 227 N CB -0.470 37.993 38.487 -0.040 0.000 0.979 227 N HN 0.474 nan 8.380 nan 0.000 0.432 228 D N 0.994 121.380 120.400 -0.023 0.000 2.149 228 D HA -0.137 4.503 4.640 0.000 0.000 0.198 228 D C 1.692 177.981 176.300 -0.019 0.000 0.990 228 D CA 0.853 54.842 54.000 -0.018 0.000 0.839 228 D CB -0.067 40.725 40.800 -0.014 0.000 0.948 228 D HN 0.248 nan 8.370 nan 0.000 0.460 229 I N 0.946 121.503 120.570 -0.022 0.000 2.260 229 I HA -0.110 4.061 4.170 0.000 0.000 0.237 229 I C 2.696 178.792 176.117 -0.035 0.000 1.075 229 I CA 0.343 61.630 61.300 -0.022 0.000 1.376 229 I CB -0.721 37.270 38.000 -0.014 0.000 1.107 229 I HN -0.106 nan 8.210 nan 0.000 0.420 230 L N 0.587 121.775 121.223 -0.057 0.000 2.123 230 L HA -0.363 3.977 4.340 0.000 0.000 0.217 230 L C 2.539 179.375 176.870 -0.058 0.000 1.081 230 L CA 1.710 56.496 54.840 -0.090 0.000 0.772 230 L CB -0.542 41.430 42.059 -0.145 0.000 0.890 230 L HN 0.371 nan 8.230 nan 0.000 0.437 231 A N -0.478 122.318 122.820 -0.041 0.000 2.019 231 A HA -0.202 4.118 4.320 0.000 0.000 0.219 231 A C 2.124 179.697 177.584 -0.018 0.000 1.164 231 A CA 1.442 53.464 52.037 -0.025 0.000 0.644 231 A CB -0.392 18.595 19.000 -0.022 0.000 0.805 231 A HN 0.396 nan 8.150 nan 0.000 0.449 232 R N -0.727 119.761 120.500 -0.019 0.000 2.320 232 R HA 0.094 4.435 4.340 0.000 0.000 0.211 232 R C 1.879 178.171 176.300 -0.014 0.000 0.931 232 R CA 0.469 56.561 56.100 -0.014 0.000 1.071 232 R CB -0.210 30.083 30.300 -0.013 0.000 1.025 232 R HN 0.796 nan 8.270 nan 0.000 0.495 233 Q N 1.558 121.350 119.800 -0.013 0.000 2.047 233 Q HA -0.317 4.023 4.340 0.000 0.000 0.211 233 Q C 1.353 177.351 176.000 -0.004 0.000 1.005 233 Q CA 2.036 57.836 55.803 -0.005 0.000 0.866 233 Q CB 0.043 28.789 28.738 0.013 0.000 0.938 233 Q HN 0.392 nan 8.270 nan 0.000 0.414 234 E N -0.068 120.131 120.200 -0.002 0.000 2.063 234 E HA -0.319 4.032 4.350 0.000 0.000 0.221 234 E C 1.922 178.515 176.600 -0.011 0.000 1.052 234 E CA 2.158 58.556 56.400 -0.004 0.000 0.891 234 E CB -0.284 29.414 29.700 -0.002 0.000 0.792 234 E HN 0.698 nan 8.360 nan 0.000 0.482 235 E N 0.314 120.507 120.200 -0.012 0.000 2.160 235 E HA -0.197 4.153 4.350 0.000 0.000 0.195 235 E C 2.151 178.735 176.600 -0.026 0.000 0.991 235 E CA 1.256 57.646 56.400 -0.016 0.000 0.810 235 E CB -0.363 29.330 29.700 -0.012 0.000 0.742 235 E HN 0.330 nan 8.360 nan 0.000 0.466 236 I N 1.411 121.963 120.570 -0.031 0.000 2.193 236 I HA -0.212 3.959 4.170 0.000 0.000 0.240 236 I C 2.493 178.563 176.117 -0.078 0.000 1.084 236 I CA 1.345 62.614 61.300 -0.051 0.000 1.365 236 I CB -0.218 37.758 38.000 -0.041 0.000 1.064 236 I HN 0.120 nan 8.210 nan 0.000 0.410 237 E N 0.171 120.338 120.200 -0.055 0.000 2.171 237 E HA -0.215 4.135 4.350 0.000 0.000 0.197 237 E C 2.264 178.829 176.600 -0.059 0.000 0.997 237 E CA 1.352 57.718 56.400 -0.056 0.000 0.810 237 E CB -0.051 29.637 29.700 -0.019 0.000 0.738 237 E HN 0.352 nan 8.360 nan 0.000 0.467 238 V N 1.095 120.983 119.914 -0.044 0.000 2.323 238 V HA -0.223 3.898 4.120 0.000 0.000 0.244 238 V C 2.344 178.410 176.094 -0.047 0.000 1.041 238 V CA 1.771 64.050 62.300 -0.034 0.000 1.025 238 V CB -0.617 31.193 31.823 -0.021 0.000 0.656 238 V HN 0.291 nan 8.190 nan 0.000 0.451 239 A N -0.344 122.439 122.820 -0.060 0.000 1.933 239 A HA -0.164 4.157 4.320 0.000 0.000 0.218 239 A C 2.183 179.699 177.584 -0.113 0.000 1.175 239 A CA 1.752 53.750 52.037 -0.065 0.000 0.628 239 A CB -0.526 18.440 19.000 -0.057 0.000 0.814 239 A HN 0.494 nan 8.150 nan 0.000 0.444 240 I N -0.704 119.743 120.570 -0.205 0.000 2.113 240 I HA -0.330 3.840 4.170 0.000 0.000 0.238 240 I C 2.864 178.893 176.117 -0.146 0.000 1.070 240 I CA 1.679 62.761 61.300 -0.363 0.000 1.332 240 I CB -0.395 37.324 38.000 -0.469 0.000 1.044 240 I HN 0.421 nan 8.210 nan 0.000 0.402 241 Q N 0.051 119.807 119.800 -0.072 0.000 2.112 241 Q HA -0.328 4.013 4.340 0.000 0.000 0.206 241 Q C 2.105 178.112 176.000 0.012 0.000 0.987 241 Q CA 2.213 58.013 55.803 -0.005 0.000 0.858 241 Q CB -0.220 28.516 28.738 -0.003 0.000 0.905 241 Q HN 0.416 nan 8.270 nan 0.000 0.420 242 E N 0.327 120.525 120.200 -0.004 0.000 2.118 242 E HA -0.199 4.152 4.350 0.000 0.000 0.195 242 E C 1.649 178.261 176.600 0.019 0.000 0.992 242 E CA 1.410 57.813 56.400 0.004 0.000 0.804 242 E CB -0.132 29.567 29.700 -0.002 0.000 0.741 242 E HN 0.362 nan 8.360 nan 0.000 0.458 243 A N 0.616 123.468 122.820 0.053 0.000 1.872 243 A HA -0.081 4.239 4.320 0.000 0.000 0.214 243 A C 2.294 179.935 177.584 0.095 0.000 1.187 243 A CA 1.363 53.483 52.037 0.139 0.000 0.614 243 A CB -0.649 18.544 19.000 0.321 0.000 0.826 243 A HN 0.355 nan 8.150 nan 0.000 0.442 244 I N -0.131 120.559 120.570 0.200 0.000 2.194 244 I HA -0.255 3.915 4.170 0.000 0.000 0.246 244 I C 2.320 178.445 176.117 0.013 0.000 1.093 244 I CA 1.369 62.774 61.300 0.175 0.000 1.355 244 I CB -0.562 37.566 38.000 0.213 0.000 1.046 244 I HN 0.157 nan 8.210 nan 0.000 0.413 245 V N 0.447 120.364 119.914 0.005 0.000 2.255 245 V HA -0.236 3.884 4.120 0.000 0.000 0.243 245 V C 2.520 178.581 176.094 -0.055 0.000 1.038 245 V CA 2.476 64.767 62.300 -0.016 0.000 1.008 245 V CB -0.898 30.924 31.823 -0.002 0.000 0.645 245 V HN 0.430 nan 8.190 nan 0.000 0.449 246 T N -0.440 114.074 114.554 -0.067 0.000 2.708 246 T HA -0.145 4.205 4.350 0.000 0.000 0.266 246 T C 1.789 176.408 174.700 -0.136 0.000 1.037 246 T CA 1.413 63.468 62.100 -0.076 0.000 1.146 246 T CB -0.175 68.661 68.868 -0.054 0.000 0.865 246 T HN 0.407 nan 8.240 nan 0.000 0.435 247 E N -0.120 119.920 120.200 -0.267 0.000 2.400 247 E HA 0.188 4.538 4.350 0.000 0.000 0.195 247 E C 1.630 177.945 176.600 -0.474 0.000 1.012 247 E CA 0.538 56.673 56.400 -0.441 0.000 0.875 247 E CB 0.209 29.448 29.700 -0.768 0.000 0.859 247 E HN 0.581 nan 8.360 nan 0.000 0.498 248 G N 1.417 109.998 108.800 -0.365 0.000 2.132 248 G HA2 -0.261 3.699 3.960 0.000 0.000 0.234 248 G HA3 -0.261 3.699 3.960 0.000 0.000 0.234 248 G C -0.213 174.649 174.900 -0.063 0.000 0.989 248 G CA 0.022 45.026 45.100 -0.160 0.000 0.676 248 G HN 0.109 nan 8.290 nan 0.000 0.522 249 Y N 1.314 121.663 120.300 0.081 0.000 2.597 249 Y HA 0.318 4.868 4.550 0.000 0.000 0.336 249 Y C 1.965 177.924 175.900 0.100 0.000 1.216 249 Y CA -0.126 58.029 58.100 0.091 0.000 1.463 249 Y CB 0.579 39.113 38.460 0.123 0.000 1.303 249 Y HN 0.308 nan 8.280 nan 0.000 0.576 250 S N -0.099 115.761 115.700 0.266 0.000 2.395 250 S HA 0.005 4.475 4.470 0.000 0.000 0.225 250 S C -0.230 174.506 174.600 0.228 0.000 1.027 250 S CA 0.935 59.258 58.200 0.205 0.000 0.965 250 S CB -0.166 63.145 63.200 0.184 0.000 0.812 250 S HN 0.710 nan 8.310 nan 0.000 0.482 251 D N -0.794 119.755 120.400 0.249 0.000 2.645 251 D HA 0.592 5.232 4.640 0.000 0.000 0.228 251 D C -1.770 174.666 176.300 0.226 0.000 1.148 251 D CA -0.456 53.688 54.000 0.240 0.000 0.860 251 D CB 1.406 42.344 40.800 0.229 0.000 1.548 251 D HN 0.262 nan 8.370 nan 0.000 0.460 252 F N 1.361 121.375 119.950 0.107 0.000 2.477 252 F HA 0.564 5.091 4.527 0.000 0.000 0.335 252 F C -1.324 174.517 175.800 0.067 0.000 1.130 252 F CA -0.721 57.309 58.000 0.050 0.000 0.948 252 F CB 1.234 40.284 39.000 0.083 0.000 1.154 252 F HN 0.099 nan 8.300 nan 0.000 0.439 253 V N 7.215 127.203 119.914 0.123 0.000 2.378 253 V HA 0.346 4.466 4.120 0.000 0.000 0.288 253 V C -0.932 175.286 176.094 0.207 0.000 1.016 253 V CA -0.723 61.695 62.300 0.197 0.000 0.840 253 V CB 1.442 33.337 31.823 0.121 0.000 0.994 253 V HN 0.538 nan 8.190 nan 0.000 0.431 254 L N 6.721 128.121 121.223 0.297 0.000 2.280 254 L HA 0.606 4.946 4.340 0.000 0.000 0.287 254 L C -0.203 176.743 176.870 0.127 0.000 1.023 254 L CA -0.072 54.923 54.840 0.258 0.000 0.819 254 L CB 1.320 43.545 42.059 0.278 0.000 1.212 254 L HN 0.620 nan 8.230 nan 0.000 0.420 255 M N 6.543 126.194 119.600 0.085 0.000 2.077 255 M HA 0.386 4.866 4.480 0.000 0.000 0.348 255 M C -0.643 175.673 176.300 0.027 0.000 1.252 255 M CA 0.037 55.355 55.300 0.031 0.000 1.096 255 M CB 0.720 33.329 32.600 0.015 0.000 1.568 255 M HN 0.453 nan 8.290 nan 0.000 0.456 256 I N 4.070 124.643 120.570 0.006 0.000 2.310 256 I HA 0.197 4.367 4.170 0.000 0.000 0.287 256 I C -0.175 175.938 176.117 -0.007 0.000 1.073 256 I CA -0.370 60.932 61.300 0.004 0.000 1.216 256 I CB 0.541 38.540 38.000 -0.002 0.000 1.415 256 I HN 0.566 nan 8.210 nan 0.000 0.480 257 T N 2.812 117.365 114.554 -0.002 0.000 2.743 257 T HA 0.120 4.471 4.350 0.000 0.000 0.293 257 T C -0.100 174.601 174.700 0.001 0.000 0.945 257 T CA -0.506 61.589 62.100 -0.007 0.000 1.030 257 T CB 1.228 70.094 68.868 -0.004 0.000 0.912 257 T HN 0.418 nan 8.240 nan 0.000 0.483 258 D N 3.253 123.656 120.400 0.005 0.000 2.411 258 D HA 0.117 4.757 4.640 0.000 0.000 0.225 258 D C 1.253 177.555 176.300 0.004 0.000 1.156 258 D CA -0.992 53.014 54.000 0.011 0.000 0.874 258 D CB 0.149 40.966 40.800 0.029 0.000 1.034 258 D HN 0.629 nan 8.370 nan 0.000 0.502 259 I N 1.156 121.725 120.570 -0.001 0.000 3.334 259 I HA -0.038 4.132 4.170 0.000 0.000 0.282 259 I C 0.541 176.655 176.117 -0.006 0.000 1.313 259 I CA 0.175 61.472 61.300 -0.005 0.000 1.396 259 I CB 0.155 38.148 38.000 -0.011 0.000 1.054 259 I HN 0.174 nan 8.210 nan 0.000 0.495 260 V N 1.376 121.288 119.914 -0.002 0.000 2.575 260 V HA 0.037 4.157 4.120 0.000 0.000 0.242 260 V C 1.830 177.928 176.094 0.006 0.000 1.045 260 V CA 1.331 63.630 62.300 -0.001 0.000 1.065 260 V CB -0.567 31.255 31.823 -0.002 0.000 0.717 260 V HN 0.451 nan 8.190 nan 0.000 0.467 261 N N -0.634 118.075 118.700 0.014 0.000 2.322 261 N HA 0.065 4.805 4.740 0.000 0.000 0.181 261 N C 0.443 175.967 175.510 0.023 0.000 1.088 261 N CA 0.686 53.751 53.050 0.025 0.000 0.885 261 N CB 0.674 39.187 38.487 0.044 0.000 1.013 261 N HN 0.341 nan 8.380 nan 0.000 0.472 262 S N 1.005 116.711 115.700 0.010 0.000 3.968 262 S HA -0.115 4.356 4.470 0.000 0.000 0.373 262 S C -0.795 173.791 174.600 -0.023 0.000 0.974 262 S CA 0.056 58.253 58.200 -0.006 0.000 1.124 262 S CB -1.547 61.652 63.200 -0.003 0.000 0.862 262 S HN 0.395 nan 8.310 nan 0.000 0.492 263 N N 0.251 118.933 118.700 -0.029 0.000 2.277 263 N HA 0.624 5.364 4.740 0.000 0.000 0.286 263 N C -1.105 174.329 175.510 -0.125 0.000 1.140 263 N CA -0.574 52.410 53.050 -0.111 0.000 0.799 263 N CB 2.282 40.768 38.487 -0.001 0.000 1.596 263 N HN 0.159 nan 8.380 nan 0.000 0.473 264 S N 0.262 115.804 115.700 -0.263 0.000 2.536 264 S HA 0.297 4.767 4.470 0.000 0.000 0.287 264 S C -0.893 173.575 174.600 -0.219 0.000 1.101 264 S CA -0.573 57.520 58.200 -0.178 0.000 0.950 264 S CB 2.103 65.215 63.200 -0.147 0.000 1.056 264 S HN 0.560 nan 8.310 nan 0.000 0.481 265 E N 3.182 123.339 120.200 -0.070 0.000 2.113 265 E HA 0.381 4.731 4.350 0.000 0.000 0.273 265 E C -0.744 175.831 176.600 -0.042 0.000 0.924 265 E CA -0.523 55.862 56.400 -0.024 0.000 0.764 265 E CB 0.346 30.061 29.700 0.025 0.000 1.104 265 E HN 0.377 nan 8.360 nan 0.000 0.406 266 I N 5.340 125.871 120.570 -0.064 0.000 2.395 266 I HA 0.274 4.444 4.170 0.000 0.000 0.289 266 I C -0.344 175.798 176.117 0.040 0.000 1.023 266 I CA -0.784 60.505 61.300 -0.018 0.000 1.350 266 I CB 0.388 38.369 38.000 -0.032 0.000 1.409 266 I HN 0.544 nan 8.210 nan 0.000 0.507 267 L N 6.475 127.755 121.223 0.095 0.000 2.409 267 L HA 0.879 5.219 4.340 0.000 0.000 0.272 267 L C -0.871 176.098 176.870 0.165 0.000 0.980 267 L CA -0.097 54.816 54.840 0.123 0.000 0.826 267 L CB 1.671 43.787 42.059 0.095 0.000 1.268 267 L HN 0.724 nan 8.230 nan 0.000 0.407 268 A N 5.492 128.409 122.820 0.163 0.000 2.515 268 A HA 0.919 5.239 4.320 0.000 0.000 0.298 268 A C -1.823 175.858 177.584 0.162 0.000 1.059 268 A CA -0.545 51.613 52.037 0.202 0.000 0.698 268 A CB 1.461 20.604 19.000 0.238 0.000 1.289 268 A HN 0.723 nan 8.150 nan 0.000 0.404 269 L N 0.905 122.238 121.223 0.184 0.000 2.424 269 L HA 0.888 5.228 4.340 0.000 0.000 0.258 269 L C 0.543 177.520 176.870 0.180 0.000 0.995 269 L CA -0.256 54.672 54.840 0.147 0.000 0.821 269 L CB 2.446 44.568 42.059 0.105 0.000 1.383 269 L HN 1.308 nan 8.230 nan 0.000 0.410 270 G N 0.480 109.368 108.800 0.146 0.000 2.564 270 G HA2 0.195 4.155 3.960 0.000 0.000 0.139 270 G HA3 0.195 4.155 3.960 0.000 0.000 0.139 270 G C -0.225 174.743 174.900 0.114 0.000 1.147 270 G CA 0.383 45.576 45.100 0.154 0.000 1.031 270 G HN 0.722 nan 8.290 nan 0.000 0.482 271 S N -1.439 114.327 115.700 0.109 0.000 2.744 271 S HA 0.251 4.721 4.470 0.000 0.000 0.265 271 S C 0.361 174.988 174.600 0.045 0.000 1.065 271 S CA 0.343 58.587 58.200 0.072 0.000 1.191 271 S CB 0.354 63.596 63.200 0.069 0.000 1.150 271 S HN 0.363 nan 8.310 nan 0.000 0.646 272 N N 1.455 120.187 118.700 0.054 0.000 2.328 272 N HA 0.310 5.050 4.740 0.000 0.000 0.247 272 N C 0.722 176.230 175.510 -0.004 0.000 1.165 272 N CA -0.114 52.918 53.050 -0.029 0.000 0.873 272 N CB 0.404 38.811 38.487 -0.134 0.000 1.125 272 N HN 0.296 nan 8.380 nan 0.000 0.513 273 M N 0.586 120.218 119.600 0.053 0.000 2.144 273 M HA -0.126 4.354 4.480 0.000 0.000 0.260 273 M C 2.279 178.621 176.300 0.069 0.000 1.067 273 M CA 0.818 56.173 55.300 0.091 0.000 1.095 273 M CB -1.081 31.575 32.600 0.094 0.000 1.365 273 M HN 0.203 nan 8.290 nan 0.000 0.406 274 A N 1.376 124.208 122.820 0.021 0.000 1.893 274 A HA -0.287 4.033 4.320 0.000 0.000 0.222 274 A C 2.213 179.776 177.584 -0.035 0.000 1.309 274 A CA 2.726 54.759 52.037 -0.008 0.000 0.681 274 A CB -0.836 18.140 19.000 -0.040 0.000 0.842 274 A HN 0.602 nan 8.150 nan 0.000 0.468 275 K N -0.776 119.557 120.400 -0.112 0.000 2.155 275 K HA 0.015 4.335 4.320 0.000 0.000 0.203 275 K C 1.879 178.434 176.600 -0.074 0.000 1.052 275 K CA 1.242 57.425 56.287 -0.172 0.000 0.948 275 K CB -0.484 31.735 32.500 -0.468 0.000 0.728 275 K HN 0.359 nan 8.250 nan 0.000 0.448 276 V N 2.386 122.319 119.914 0.031 0.000 2.295 276 V HA -0.231 3.889 4.120 0.000 0.000 0.246 276 V C 2.111 178.271 176.094 0.109 0.000 1.049 276 V CA 1.814 64.180 62.300 0.110 0.000 1.024 276 V CB -0.521 31.455 31.823 0.255 0.000 0.648 276 V HN 0.334 nan 8.190 nan 0.000 0.447 277 E N 0.246 120.553 120.200 0.179 0.000 2.110 277 E HA -0.191 4.159 4.350 0.000 0.000 0.193 277 E C 2.330 178.932 176.600 0.003 0.000 0.988 277 E CA 1.263 57.789 56.400 0.209 0.000 0.804 277 E CB -0.327 29.511 29.700 0.231 0.000 0.745 277 E HN 0.615 nan 8.360 nan 0.000 0.458 278 A N 1.703 124.499 122.820 -0.041 0.000 1.858 278 A HA -0.144 4.176 4.320 0.000 0.000 0.216 278 A C 2.469 179.949 177.584 -0.174 0.000 1.190 278 A CA 1.748 53.734 52.037 -0.086 0.000 0.617 278 A CB -0.867 18.083 19.000 -0.084 0.000 0.827 278 A HN 0.298 nan 8.150 nan 0.000 0.443 279 A N -1.339 121.318 122.820 -0.272 0.000 1.927 279 A HA -0.150 4.171 4.320 0.000 0.000 0.220 279 A C 1.913 179.145 177.584 -0.586 0.000 1.185 279 A CA 1.877 53.626 52.037 -0.479 0.000 0.639 279 A CB -0.753 17.818 19.000 -0.716 0.000 0.820 279 A HN 0.585 nan 8.150 nan 0.000 0.451 280 F N -2.078 117.621 119.950 -0.419 0.000 2.731 280 F HA 0.214 4.742 4.527 0.000 0.000 0.298 280 F C 0.799 176.282 175.800 -0.529 0.000 1.106 280 F CA 0.403 58.015 58.000 -0.647 0.000 1.329 280 F CB 0.240 38.399 39.000 -1.401 0.000 1.100 280 F HN 0.241 nan 8.300 nan 0.000 0.592 281 E N -0.159 119.918 120.200 -0.205 0.000 3.070 281 E HA -0.240 4.110 4.350 0.000 0.000 0.285 281 E C -0.260 176.385 176.600 0.075 0.000 0.972 281 E CA 0.401 56.771 56.400 -0.049 0.000 0.915 281 E CB -1.925 27.765 29.700 -0.018 0.000 1.466 281 E HN 0.458 nan 8.360 nan 0.000 0.432 282 F N -1.276 118.754 119.950 0.133 0.000 2.585 282 F HA 0.807 5.335 4.527 0.000 0.000 0.350 282 F C 0.455 176.307 175.800 0.087 0.000 1.074 282 F CA -1.311 56.749 58.000 0.102 0.000 1.032 282 F CB 0.408 39.467 39.000 0.097 0.000 1.330 282 F HN -0.261 nan 8.300 nan 0.000 0.495 283 T N 1.625 116.407 114.554 0.380 0.000 2.918 283 T HA 0.661 5.012 4.350 0.000 0.000 0.286 283 T C -0.350 174.328 174.700 -0.036 0.000 1.026 283 T CA -0.607 61.604 62.100 0.185 0.000 1.031 283 T CB 1.703 70.625 68.868 0.090 0.000 1.046 283 T HN 0.555 nan 8.240 nan 0.000 0.479 284 L N 2.378 123.589 121.223 -0.022 0.000 2.312 284 L HA 0.535 4.875 4.340 0.000 0.000 0.281 284 L C 0.210 176.993 176.870 -0.144 0.000 1.070 284 L CA -0.714 54.047 54.840 -0.132 0.000 0.805 284 L CB 0.753 42.785 42.059 -0.046 0.000 1.174 284 L HN 0.479 nan 8.230 nan 0.000 0.434 285 E N 2.911 122.952 120.200 -0.266 0.000 2.234 285 E HA 0.100 4.450 4.350 0.000 0.000 0.266 285 E C -0.391 175.967 176.600 -0.403 0.000 0.877 285 E CA -0.572 55.662 56.400 -0.277 0.000 0.758 285 E CB 1.831 31.371 29.700 -0.265 0.000 1.170 285 E HN 0.550 nan 8.360 nan 0.000 0.415 286 N N 3.664 122.233 118.700 -0.218 0.000 2.712 286 N HA -0.302 4.439 4.740 0.000 0.000 0.261 286 N C -0.553 174.882 175.510 -0.124 0.000 0.950 286 N CA 0.595 53.563 53.050 -0.138 0.000 0.821 286 N CB -0.506 37.938 38.487 -0.071 0.000 0.919 286 N HN 0.524 nan 8.380 nan 0.000 0.551 287 N N -1.941 116.685 118.700 -0.123 0.000 2.994 287 N HA -0.189 4.552 4.740 0.000 0.000 0.221 287 N C -0.514 175.003 175.510 0.012 0.000 0.900 287 N CA 1.686 54.721 53.050 -0.025 0.000 1.008 287 N CB -1.327 37.180 38.487 0.033 0.000 1.053 287 N HN 0.920 nan 8.380 nan 0.000 0.580 288 H N -1.909 117.121 119.070 -0.067 0.000 2.946 288 H HA 0.944 5.500 4.556 0.000 0.000 0.365 288 H C -0.427 174.755 175.328 -0.242 0.000 1.197 288 H CA -0.179 55.795 56.048 -0.123 0.000 1.131 288 H CB 1.653 31.373 29.762 -0.070 0.000 1.849 288 H HN 0.187 nan 8.280 nan 0.000 0.555 289 A N 0.938 123.634 122.820 -0.207 0.000 2.529 289 A HA 0.613 4.934 4.320 0.000 0.000 0.296 289 A C -2.039 175.453 177.584 -0.153 0.000 1.205 289 A CA -0.641 51.192 52.037 -0.339 0.000 0.671 289 A CB 1.196 19.552 19.000 -1.074 0.000 1.301 289 A HN 0.766 nan 8.150 nan 0.000 0.450 290 F N 0.404 120.217 119.950 -0.228 0.000 2.539 290 F HA 0.664 5.191 4.527 0.000 0.000 0.328 290 F C -1.574 174.241 175.800 0.025 0.000 1.148 290 F CA -0.871 57.086 58.000 -0.073 0.000 0.940 290 F CB 1.354 40.332 39.000 -0.037 0.000 1.194 290 F HN 0.363 nan 8.300 nan 0.000 0.438 291 L N 6.252 127.122 121.223 -0.589 0.000 2.261 291 L HA 0.579 4.919 4.340 0.000 0.000 0.289 291 L C 0.101 176.477 176.870 -0.824 0.000 1.059 291 L CA -0.496 54.042 54.840 -0.503 0.000 0.816 291 L CB 0.606 42.453 42.059 -0.353 0.000 1.191 291 L HN 0.759 nan 8.230 nan 0.000 0.431 292 A N 3.557 126.030 122.820 -0.580 0.000 2.395 292 A HA 0.523 4.843 4.320 0.000 0.000 0.286 292 A C 1.275 178.750 177.584 -0.182 0.000 1.193 292 A CA 0.506 52.331 52.037 -0.353 0.000 0.852 292 A CB -0.489 18.524 19.000 0.023 0.000 1.118 292 A HN 1.328 nan 8.150 nan 0.000 0.524 293 G N 1.638 110.342 108.800 -0.161 0.000 2.268 293 G HA2 0.078 4.039 3.960 0.000 0.000 0.240 293 G HA3 0.078 4.039 3.960 0.000 0.000 0.240 293 G C 0.708 175.561 174.900 -0.079 0.000 1.010 293 G CA 0.212 45.267 45.100 -0.075 0.000 0.618 293 G HN 2.196 nan 8.290 nan 0.000 0.516 294 A N 0.450 123.199 122.820 -0.118 0.000 2.522 294 A HA 0.616 4.936 4.320 0.000 0.000 0.256 294 A C 1.553 179.089 177.584 -0.080 0.000 1.086 294 A CA 1.243 53.226 52.037 -0.090 0.000 0.763 294 A CB 0.502 19.434 19.000 -0.113 0.000 1.024 294 A HN 1.754 nan 8.150 nan 0.000 0.502 295 V N 0.391 120.281 119.914 -0.040 0.000 3.539 295 V HA 0.280 4.400 4.120 0.000 0.000 0.262 295 V C 0.772 176.864 176.094 -0.003 0.000 1.381 295 V CA 0.828 63.114 62.300 -0.023 0.000 1.060 295 V CB -0.384 31.432 31.823 -0.011 0.000 0.842 295 V HN 0.856 nan 8.190 nan 0.000 0.445 296 S N 0.956 116.659 115.700 0.004 0.000 2.442 296 S HA 0.467 4.937 4.470 0.000 0.000 0.297 296 S C 0.845 175.455 174.600 0.016 0.000 1.131 296 S CA -0.348 57.863 58.200 0.018 0.000 1.092 296 S CB 1.631 64.844 63.200 0.021 0.000 0.998 296 S HN 0.495 nan 8.310 nan 0.000 0.478 297 R N 3.725 124.239 120.500 0.023 0.000 2.062 297 R HA -0.004 4.336 4.340 0.000 0.000 0.229 297 R C 2.251 178.539 176.300 -0.019 0.000 1.128 297 R CA 1.357 57.459 56.100 0.003 0.000 0.960 297 R CB -0.239 30.073 30.300 0.020 0.000 0.855 297 R HN 0.742 nan 8.270 nan 0.000 0.432 298 K N 0.935 121.349 120.400 0.023 0.000 2.211 298 K HA -0.170 4.150 4.320 0.000 0.000 0.203 298 K C 1.460 178.054 176.600 -0.011 0.000 1.050 298 K CA 1.698 57.997 56.287 0.020 0.000 0.945 298 K CB 0.039 32.564 32.500 0.042 0.000 0.732 298 K HN 0.155 nan 8.250 nan 0.000 0.451 299 K N -0.064 120.334 120.400 -0.004 0.000 2.365 299 K HA 0.082 4.402 4.320 0.000 0.000 0.195 299 K C 1.598 178.197 176.600 -0.002 0.000 1.079 299 K CA 0.207 56.492 56.287 -0.003 0.000 0.979 299 K CB 0.534 33.040 32.500 0.010 0.000 0.929 299 K HN 0.119 nan 8.250 nan 0.000 0.523 300 Q N -0.951 118.854 119.800 0.009 0.000 2.316 300 Q HA 0.145 4.486 4.340 0.000 0.000 0.235 300 Q C 1.136 177.199 176.000 0.104 0.000 0.863 300 Q CA 0.024 55.852 55.803 0.042 0.000 0.939 300 Q CB 1.494 30.253 28.738 0.035 0.000 1.108 300 Q HN 0.019 nan 8.270 nan 0.000 0.522 301 V N -1.155 118.791 119.914 0.053 0.000 3.219 301 V HA 0.004 4.124 4.120 0.000 0.000 0.240 301 V C 1.593 177.600 176.094 -0.144 0.000 1.222 301 V CA 0.518 62.866 62.300 0.079 0.000 1.181 301 V CB 0.987 32.879 31.823 0.114 0.000 0.941 301 V HN 0.040 nan 8.190 nan 0.000 0.471 302 V N 1.543 121.326 119.914 -0.220 0.000 2.446 302 V HA -0.013 4.107 4.120 0.000 0.000 0.244 302 V C -0.135 175.811 176.094 -0.247 0.000 1.039 302 V CA 2.027 64.107 62.300 -0.366 0.000 1.045 302 V CB -1.334 30.192 31.823 -0.496 0.000 0.681 302 V HN 0.480 nan 8.190 nan 0.000 0.459 303 P HA -0.169 nan 4.420 nan 0.000 0.218 303 P C 1.239 178.457 177.300 -0.137 0.000 1.148 303 P CA 1.377 64.408 63.100 -0.115 0.000 0.822 303 P CB 0.119 31.775 31.700 -0.074 0.000 0.784 304 Q N -0.454 119.236 119.800 -0.183 0.000 2.089 304 Q HA 0.034 4.375 4.340 0.000 0.000 0.195 304 Q C 2.481 178.325 176.000 -0.260 0.000 0.963 304 Q CA 0.973 56.635 55.803 -0.235 0.000 0.834 304 Q CB -1.158 27.385 28.738 -0.325 0.000 0.906 304 Q HN 0.187 nan 8.270 nan 0.000 0.452 305 L N -0.064 120.972 121.223 -0.312 0.000 1.990 305 L HA -0.271 4.069 4.340 0.000 0.000 0.213 305 L C 2.337 179.133 176.870 -0.123 0.000 1.072 305 L CA 1.625 56.332 54.840 -0.221 0.000 0.755 305 L CB -0.964 40.893 42.059 -0.337 0.000 0.889 305 L HN 0.287 nan 8.230 nan 0.000 0.432 306 T N -0.948 113.492 114.554 -0.190 0.000 2.649 306 T HA -0.310 4.040 4.350 0.000 0.000 0.268 306 T C 1.809 176.491 174.700 -0.029 0.000 1.036 306 T CA 2.159 64.184 62.100 -0.124 0.000 1.157 306 T CB -0.134 68.666 68.868 -0.112 0.000 0.861 306 T HN 0.453 nan 8.240 nan 0.000 0.445 307 E N 0.105 120.282 120.200 -0.038 0.000 2.075 307 E HA -0.068 4.283 4.350 0.000 0.000 0.190 307 E C 2.398 179.000 176.600 0.002 0.000 0.969 307 E CA 1.202 57.590 56.400 -0.020 0.000 0.815 307 E CB -0.203 29.470 29.700 -0.046 0.000 0.776 307 E HN 0.553 nan 8.360 nan 0.000 0.457 308 S N -0.523 115.170 115.700 -0.012 0.000 2.469 308 S HA -0.134 4.337 4.470 0.000 0.000 0.238 308 S C 1.707 176.315 174.600 0.013 0.000 0.998 308 S CA 0.485 58.670 58.200 -0.024 0.000 0.957 308 S CB -0.526 62.624 63.200 -0.084 0.000 0.764 308 S HN 0.319 nan 8.310 nan 0.000 0.514 309 Y N 2.363 122.611 120.300 -0.086 0.000 2.263 309 Y HA 0.176 4.726 4.550 0.000 0.000 0.292 309 Y C 2.432 178.308 175.900 -0.040 0.000 1.130 309 Y CA 0.905 58.972 58.100 -0.055 0.000 1.179 309 Y CB -0.335 38.096 38.460 -0.048 0.000 0.998 309 Y HN 0.372 nan 8.280 nan 0.000 0.532 310 N N 0.064 118.822 118.700 0.098 0.000 2.412 310 N HA 0.110 4.850 4.740 0.000 0.000 0.184 310 N C 0.796 176.310 175.510 0.006 0.000 1.101 310 N CA 0.481 53.557 53.050 0.044 0.000 0.881 310 N CB -0.001 38.506 38.487 0.034 0.000 0.969 310 N HN 0.141 nan 8.380 nan 0.000 0.459 311 A N 0.000 122.814 122.820 -0.010 0.000 2.254 311 A HA 0.000 4.320 4.320 0.000 0.000 0.244 311 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 311 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 311 A HN 0.000 nan 8.150 nan 0.000 0.486