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 3kzi_1_B DATA FIRST_RESID 2 DATA SEQUENCE GLPWYRVHTV LINDPGRLIA AHLMHTALVA GWAGSMALYE LATFDPSDPV DATA SEQUENCE LNPMWRQGMF VLPFMARLGV TGSWSGWSIT GETGIDPGFW SFEGVALAHI DATA SEQUENCE VLSGLLFLAA CWHWVYWDLE LFRDPRTGEP ALDLPKMFGI HLFLAGLLCF DATA SEQUENCE GFGAFHLTGL FGPGMWVSDP YGLTGSVQPV APEWGPDGFN PYNPGGVVAH DATA SEQUENCE HIAAGIVGII AGLFHILVRP PQRLYKALRM GNIETVLSSS IAAVFFAAFV DATA SEQUENCE VAGTMWYGSA TTPIELFGPT RYQWDSSYFQ QEINRRVQAS LASGATLEEA DATA SEQUENCE WSAIPEKLAF YDYIGNNPAK GGLFRTGPMN KGDGIAQAWK GHAVFRNKEG DATA SEQUENCE EELFVRRMPA FFESFPVILT DKNGVVKADI PFRRAESKYS FEQQGVTVSF DATA SEQUENCE YGGELNGQTF TDPPTVKSYA RKAIFGEIFE FDTETLNSDG IFRTSPRGWF DATA SEQUENCE TFAHAVFALL FFFGHIWHGA RTLFRDVFSG IDPEL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 2 G C 0.000 174.877 174.900 -0.038 0.000 0.946 2 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 3 L N 2.723 123.918 121.223 -0.048 0.000 2.380 3 L HA 0.384 4.725 4.340 0.002 0.000 0.273 3 L C -1.797 174.984 176.870 -0.149 0.000 1.138 3 L CA -1.264 53.518 54.840 -0.097 0.000 0.832 3 L CB 1.065 43.076 42.059 -0.079 0.000 1.124 3 L HN 0.254 nan 8.230 nan 0.000 0.454 4 P HA -0.030 nan 4.420 nan 0.000 0.272 4 P C 0.479 177.517 177.300 -0.436 0.000 1.240 4 P CA -0.490 62.351 63.100 -0.431 0.000 0.791 4 P CB 0.337 31.485 31.700 -0.921 0.000 0.978 5 W N 1.730 122.911 121.300 -0.198 0.000 2.338 5 W HA -0.231 4.430 4.660 0.002 0.000 0.304 5 W C 1.012 177.458 176.519 -0.122 0.000 1.212 5 W CA 1.122 58.404 57.345 -0.104 0.000 1.264 5 W CB -1.832 27.628 29.460 0.001 0.000 1.142 5 W HN 0.426 nan 8.180 nan 0.000 0.512 6 Y N 0.754 120.466 120.300 -0.981 0.000 2.542 6 Y HA 0.357 4.908 4.550 0.002 0.000 0.326 6 Y C 1.918 177.601 175.900 -0.362 0.000 1.218 6 Y CA 0.150 57.723 58.100 -0.878 0.000 1.277 6 Y CB -0.949 36.677 38.460 -1.390 0.000 1.064 6 Y HN -0.065 nan 8.280 nan 0.000 0.499 7 R N -0.305 119.915 120.500 -0.466 0.000 2.521 7 R HA 0.111 4.452 4.340 0.002 0.000 0.289 7 R C 1.835 178.078 176.300 -0.096 0.000 0.936 7 R CA 0.742 56.705 56.100 -0.229 0.000 1.089 7 R CB 0.420 30.545 30.300 -0.292 0.000 1.348 7 R HN 0.369 nan 8.270 nan 0.000 0.536 8 V N -1.358 118.491 119.914 -0.109 0.000 2.511 8 V HA -0.310 3.811 4.120 0.002 0.000 0.257 8 V C 1.380 177.550 176.094 0.128 0.000 1.088 8 V CA 1.861 64.153 62.300 -0.013 0.000 1.098 8 V CB -0.864 30.947 31.823 -0.020 0.000 0.674 8 V HN 0.409 nan 8.190 nan 0.000 0.470 9 H N 0.900 120.002 119.070 0.053 0.000 2.539 9 H HA 0.043 4.600 4.556 0.001 0.000 0.267 9 H C 2.307 177.667 175.328 0.053 0.000 0.982 9 H CA 0.664 56.754 56.048 0.070 0.000 1.146 9 H CB 0.164 29.980 29.762 0.090 0.000 1.382 9 H HN 0.725 nan 8.280 nan 0.000 0.577 10 T N -2.097 112.546 114.554 0.148 0.000 3.072 10 T HA -0.083 4.268 4.350 0.002 0.000 0.266 10 T C 1.899 176.627 174.700 0.046 0.000 1.127 10 T CA 0.298 62.449 62.100 0.084 0.000 1.107 10 T CB -0.505 68.399 68.868 0.060 0.000 0.910 10 T HN 0.129 nan 8.240 nan 0.000 0.513 11 V N 0.664 120.612 119.914 0.056 0.000 3.330 11 V HA 0.143 4.264 4.120 0.002 0.000 0.273 11 V C 1.613 177.691 176.094 -0.028 0.000 1.179 11 V CA 1.139 63.445 62.300 0.010 0.000 1.174 11 V CB -0.749 31.095 31.823 0.035 0.000 0.794 11 V HN 0.626 nan 8.190 nan 0.000 0.527 12 L N -1.761 119.458 121.223 -0.007 0.000 2.781 12 L HA 0.238 4.579 4.340 0.002 0.000 0.245 12 L C 1.927 178.762 176.870 -0.058 0.000 1.118 12 L CA 0.051 54.862 54.840 -0.048 0.000 0.918 12 L CB 0.050 42.093 42.059 -0.026 0.000 1.246 12 L HN 0.177 nan 8.230 nan 0.000 0.526 13 I N 2.148 122.699 120.570 -0.032 0.000 2.358 13 I HA -0.307 3.864 4.170 0.002 0.000 0.257 13 I C 0.199 176.286 176.117 -0.051 0.000 1.123 13 I CA 1.579 62.856 61.300 -0.038 0.000 1.393 13 I CB -0.489 37.496 38.000 -0.025 0.000 1.073 13 I HN 0.614 nan 8.210 nan 0.000 0.437 14 N N -0.647 118.020 118.700 -0.056 0.000 2.666 14 N HA 0.148 4.889 4.740 0.002 0.000 0.253 14 N C -0.937 174.540 175.510 -0.055 0.000 1.621 14 N CA -0.362 52.660 53.050 -0.048 0.000 0.785 14 N CB 0.137 38.611 38.487 -0.021 0.000 1.332 14 N HN -0.007 nan 8.380 nan 0.000 0.514 15 D N 0.555 120.895 120.400 -0.099 0.000 3.060 15 D HA 0.287 4.928 4.640 0.002 0.000 0.326 15 D C -1.874 174.304 176.300 -0.203 0.000 1.253 15 D CA -1.545 52.389 54.000 -0.110 0.000 0.737 15 D CB 1.112 41.801 40.800 -0.185 0.000 1.260 15 D HN 0.028 nan 8.370 nan 0.000 0.542 16 P HA -0.190 nan 4.420 nan 0.000 0.221 16 P C 1.369 178.224 177.300 -0.742 0.000 1.153 16 P CA 1.822 64.588 63.100 -0.557 0.000 0.858 16 P CB 0.307 31.576 31.700 -0.718 0.000 0.783 17 G N 0.064 108.475 108.800 -0.649 0.000 2.484 17 G HA2 -0.242 3.719 3.960 0.002 0.000 0.215 17 G HA3 -0.242 3.719 3.960 0.002 0.000 0.215 17 G C 1.451 176.298 174.900 -0.088 0.000 1.219 17 G CA 0.538 45.470 45.100 -0.279 0.000 0.791 17 G HN 0.207 nan 8.290 nan 0.000 0.550 18 R N -0.007 120.429 120.500 -0.107 0.000 2.280 18 R HA 0.103 4.444 4.340 0.002 0.000 0.207 18 R C 2.284 178.592 176.300 0.014 0.000 1.043 18 R CA 0.277 56.344 56.100 -0.054 0.000 1.006 18 R CB -0.574 29.497 30.300 -0.382 0.000 0.885 18 R HN 0.412 nan 8.270 nan 0.000 0.467 19 L N 0.617 121.756 121.223 -0.141 0.000 2.131 19 L HA 0.042 4.383 4.340 0.002 0.000 0.206 19 L C 2.038 178.724 176.870 -0.307 0.000 1.087 19 L CA 1.286 55.982 54.840 -0.239 0.000 0.767 19 L CB -0.061 41.799 42.059 -0.332 0.000 0.917 19 L HN -0.024 nan 8.230 nan 0.000 0.441 20 I N -0.697 119.736 120.570 -0.229 0.000 2.353 20 I HA -0.189 3.982 4.170 0.002 0.000 0.248 20 I C 2.530 178.662 176.117 0.025 0.000 1.119 20 I CA 0.934 62.138 61.300 -0.160 0.000 1.417 20 I CB -0.418 37.429 38.000 -0.254 0.000 1.078 20 I HN 0.310 nan 8.210 nan 0.000 0.421 21 A N 0.802 123.704 122.820 0.137 0.000 1.908 21 A HA -0.199 4.122 4.320 0.002 0.000 0.218 21 A C 2.496 180.222 177.584 0.238 0.000 1.181 21 A CA 1.968 54.185 52.037 0.300 0.000 0.627 21 A CB -0.799 18.518 19.000 0.530 0.000 0.818 21 A HN 0.427 nan 8.150 nan 0.000 0.445 22 A N -0.726 122.221 122.820 0.212 0.000 1.832 22 A HA -0.180 4.141 4.320 0.002 0.000 0.214 22 A C 1.916 179.647 177.584 0.245 0.000 1.200 22 A CA 1.485 53.631 52.037 0.182 0.000 0.610 22 A CB -1.259 17.831 19.000 0.149 0.000 0.842 22 A HN 0.719 nan 8.150 nan 0.000 0.444 23 H N -0.758 118.340 119.070 0.047 0.000 2.466 23 H HA -0.113 4.444 4.556 0.002 0.000 0.297 23 H C 1.989 177.380 175.328 0.105 0.000 1.113 23 H CA 1.080 57.155 56.048 0.046 0.000 1.273 23 H CB -0.156 29.609 29.762 0.004 0.000 1.371 23 H HN 0.343 nan 8.280 nan 0.000 0.528 24 L N -0.236 121.130 121.223 0.237 0.000 2.072 24 L HA -0.183 4.158 4.340 0.002 0.000 0.205 24 L C 2.616 179.607 176.870 0.201 0.000 1.079 24 L CA 0.641 55.601 54.840 0.201 0.000 0.752 24 L CB -0.104 42.075 42.059 0.201 0.000 0.906 24 L HN 0.273 nan 8.230 nan 0.000 0.436 25 M N -0.916 118.800 119.600 0.192 0.000 2.117 25 M HA -0.256 4.225 4.480 0.002 0.000 0.262 25 M C 2.315 178.725 176.300 0.183 0.000 1.065 25 M CA 1.775 57.186 55.300 0.185 0.000 1.114 25 M CB -0.776 31.904 32.600 0.133 0.000 1.361 25 M HN 0.226 nan 8.290 nan 0.000 0.408 26 H N -0.893 118.227 119.070 0.083 0.000 2.267 26 H HA -0.143 4.414 4.556 0.002 0.000 0.297 26 H C 1.531 176.894 175.328 0.059 0.000 1.080 26 H CA 2.404 58.481 56.048 0.047 0.000 1.278 26 H CB -0.450 29.308 29.762 -0.007 0.000 1.365 26 H HN 0.354 nan 8.280 nan 0.000 0.489 27 T N 1.225 115.919 114.554 0.234 0.000 2.685 27 T HA -0.208 4.143 4.350 0.002 0.000 0.268 27 T C 2.188 176.951 174.700 0.104 0.000 1.034 27 T CA 1.663 63.858 62.100 0.159 0.000 1.149 27 T CB -0.699 68.264 68.868 0.158 0.000 0.860 27 T HN 0.550 nan 8.240 nan 0.000 0.449 28 A N 1.126 124.025 122.820 0.132 0.000 1.883 28 A HA -0.046 4.275 4.320 0.002 0.000 0.217 28 A C 2.325 179.970 177.584 0.102 0.000 1.186 28 A CA 1.421 53.545 52.037 0.144 0.000 0.624 28 A CB -0.865 18.264 19.000 0.214 0.000 0.822 28 A HN 0.502 nan 8.150 nan 0.000 0.444 29 L N -0.586 120.668 121.223 0.051 0.000 2.056 29 L HA -0.139 4.202 4.340 0.002 0.000 0.207 29 L C 2.472 179.364 176.870 0.037 0.000 1.078 29 L CA 0.975 55.829 54.840 0.022 0.000 0.749 29 L CB -0.509 41.524 42.059 -0.043 0.000 0.901 29 L HN 0.248 nan 8.230 nan 0.000 0.433 30 V N -0.077 119.802 119.914 -0.059 0.000 2.515 30 V HA -0.218 3.903 4.120 0.002 0.000 0.250 30 V C 2.657 178.879 176.094 0.213 0.000 1.058 30 V CA 1.666 63.972 62.300 0.011 0.000 1.064 30 V CB -0.762 31.007 31.823 -0.090 0.000 0.675 30 V HN 0.456 nan 8.190 nan 0.000 0.461 31 A N 0.554 123.482 122.820 0.181 0.000 1.897 31 A HA 0.043 4.364 4.320 0.002 0.000 0.215 31 A C 2.412 180.148 177.584 0.253 0.000 1.181 31 A CA 1.571 53.758 52.037 0.249 0.000 0.620 31 A CB -1.100 18.002 19.000 0.170 0.000 0.821 31 A HN 0.484 nan 8.150 nan 0.000 0.443 32 G N -1.110 107.802 108.800 0.187 0.000 2.446 32 G HA2 -0.308 3.653 3.960 0.002 0.000 0.217 32 G HA3 -0.308 3.653 3.960 0.002 0.000 0.217 32 G C 1.411 176.397 174.900 0.144 0.000 1.168 32 G CA 1.152 46.338 45.100 0.142 0.000 0.771 32 G HN 0.716 nan 8.290 nan 0.000 0.551 33 W N 1.941 123.252 121.300 0.018 0.000 2.317 33 W HA -0.065 4.596 4.660 0.002 0.000 0.318 33 W C 2.739 179.272 176.519 0.024 0.000 1.227 33 W CA 2.700 60.050 57.345 0.009 0.000 1.269 33 W CB -0.377 29.078 29.460 -0.009 0.000 1.155 33 W HN 0.282 nan 8.180 nan 0.000 0.484 34 A N 1.083 123.979 122.820 0.127 0.000 1.873 34 A HA -0.150 4.171 4.320 0.002 0.000 0.218 34 A C 2.272 179.636 177.584 -0.366 0.000 1.193 34 A CA 2.628 54.531 52.037 -0.222 0.000 0.629 34 A CB -1.837 17.230 19.000 0.111 0.000 0.826 34 A HN 0.519 nan 8.150 nan 0.000 0.447 35 G N -0.225 108.487 108.800 -0.146 0.000 2.491 35 G HA2 -0.260 3.701 3.960 0.002 0.000 0.218 35 G HA3 -0.260 3.701 3.960 0.002 0.000 0.218 35 G C 1.959 176.767 174.900 -0.153 0.000 1.180 35 G CA 2.086 47.123 45.100 -0.104 0.000 0.774 35 G HN 0.929 nan 8.290 nan 0.000 0.562 36 S N -0.153 115.447 115.700 -0.166 0.000 2.428 36 S HA 0.015 4.487 4.470 0.002 0.000 0.230 36 S C 2.200 176.657 174.600 -0.238 0.000 1.014 36 S CA 1.452 59.560 58.200 -0.154 0.000 0.957 36 S CB -0.190 62.950 63.200 -0.100 0.000 0.784 36 S HN 0.236 nan 8.310 nan 0.000 0.499 37 M N 2.757 122.046 119.600 -0.519 0.000 2.229 37 M HA 0.229 4.710 4.480 0.002 0.000 0.264 37 M C 2.017 178.185 176.300 -0.221 0.000 1.063 37 M CA 1.029 56.021 55.300 -0.513 0.000 1.114 37 M CB -0.974 30.954 32.600 -1.119 0.000 1.387 37 M HN 0.372 nan 8.290 nan 0.000 0.420 38 A N 0.461 123.132 122.820 -0.248 0.000 1.835 38 A HA -0.131 4.190 4.320 0.002 0.000 0.215 38 A C 2.112 179.654 177.584 -0.069 0.000 1.199 38 A CA 1.998 53.949 52.037 -0.143 0.000 0.615 38 A CB -1.272 17.636 19.000 -0.153 0.000 0.838 38 A HN 0.568 nan 8.150 nan 0.000 0.444 39 L N -1.907 119.285 121.223 -0.051 0.000 2.089 39 L HA -0.271 4.071 4.340 0.002 0.000 0.213 39 L C 2.623 179.506 176.870 0.022 0.000 1.079 39 L CA 2.070 56.905 54.840 -0.007 0.000 0.758 39 L CB -0.787 41.276 42.059 0.007 0.000 0.891 39 L HN 0.618 nan 8.230 nan 0.000 0.433 40 Y N 0.997 121.251 120.300 -0.076 0.000 2.181 40 Y HA -0.221 4.330 4.550 0.002 0.000 0.288 40 Y C 2.498 178.380 175.900 -0.030 0.000 1.146 40 Y CA 1.632 59.701 58.100 -0.052 0.000 1.164 40 Y CB -0.097 38.322 38.460 -0.068 0.000 0.982 40 Y HN 0.209 nan 8.280 nan 0.000 0.515 41 E N -0.109 120.050 120.200 -0.068 0.000 2.107 41 E HA -0.151 4.200 4.350 0.002 0.000 0.191 41 E C 2.178 178.718 176.600 -0.099 0.000 0.982 41 E CA 1.212 57.540 56.400 -0.120 0.000 0.809 41 E CB -0.244 29.415 29.700 -0.069 0.000 0.756 41 E HN 0.480 nan 8.360 nan 0.000 0.459 42 L N 0.517 121.703 121.223 -0.063 0.000 2.275 42 L HA -0.081 4.260 4.340 0.002 0.000 0.215 42 L C 2.319 179.196 176.870 0.013 0.000 1.119 42 L CA 0.627 55.482 54.840 0.025 0.000 0.790 42 L CB -0.254 41.836 42.059 0.051 0.000 0.919 42 L HN 0.106 nan 8.230 nan 0.000 0.443 43 A N -0.771 122.006 122.820 -0.072 0.000 2.208 43 A HA -0.031 4.290 4.320 0.002 0.000 0.209 43 A C 1.941 179.431 177.584 -0.156 0.000 1.161 43 A CA 1.337 53.321 52.037 -0.089 0.000 0.782 43 A CB -0.387 18.561 19.000 -0.087 0.000 0.816 43 A HN 0.471 nan 8.150 nan 0.000 0.477 44 T N -5.130 109.300 114.554 -0.206 0.000 3.009 44 T HA 0.281 4.632 4.350 0.002 0.000 0.267 44 T C 0.116 174.720 174.700 -0.160 0.000 0.942 44 T CA -0.349 61.618 62.100 -0.222 0.000 0.883 44 T CB -0.477 68.175 68.868 -0.359 0.000 1.192 44 T HN 0.153 nan 8.240 nan 0.000 0.524 45 F N 3.583 123.375 119.950 -0.262 0.000 2.443 45 F HA 0.546 5.074 4.527 0.002 0.000 0.353 45 F C -0.266 175.316 175.800 -0.364 0.000 1.101 45 F CA -1.239 56.588 58.000 -0.289 0.000 1.226 45 F CB 0.789 39.606 39.000 -0.305 0.000 1.140 45 F HN 0.021 nan 8.300 nan 0.000 0.557 46 D N 8.117 127.731 120.400 -1.310 0.000 2.392 46 D HA 0.334 4.975 4.640 0.002 0.000 0.228 46 D C -2.043 173.312 176.300 -1.575 0.000 1.074 46 D CA -2.486 50.819 54.000 -1.159 0.000 0.838 46 D CB 1.527 41.940 40.800 -0.645 0.000 1.067 46 D HN 0.300 nan 8.370 nan 0.000 0.511 47 P HA -0.039 nan 4.420 nan 0.000 0.249 47 P C 1.026 178.055 177.300 -0.451 0.000 1.229 47 P CA 0.193 62.739 63.100 -0.924 0.000 0.788 47 P CB 0.137 31.163 31.700 -1.125 0.000 1.072 48 S N -0.458 114.984 115.700 -0.430 0.000 2.461 48 S HA -0.173 4.298 4.470 0.002 0.000 0.246 48 S C 0.549 175.045 174.600 -0.172 0.000 1.007 48 S CA 1.227 59.280 58.200 -0.245 0.000 0.976 48 S CB -0.931 62.132 63.200 -0.229 0.000 0.763 48 S HN 0.201 nan 8.310 nan 0.000 0.508 49 D N 0.236 120.518 120.400 -0.196 0.000 2.333 49 D HA 0.297 4.938 4.640 0.002 0.000 0.225 49 D C -2.393 173.845 176.300 -0.104 0.000 1.345 49 D CA -1.399 52.524 54.000 -0.127 0.000 0.971 49 D CB 1.711 42.425 40.800 -0.143 0.000 1.451 49 D HN -0.062 nan 8.370 nan 0.000 0.561 50 P HA -0.029 nan 4.420 nan 0.000 0.236 50 P C 1.023 178.350 177.300 0.045 0.000 1.177 50 P CA 0.177 63.307 63.100 0.050 0.000 0.773 50 P CB 0.725 32.505 31.700 0.133 0.000 0.878 51 V N 0.442 120.356 119.914 0.000 0.000 2.283 51 V HA -0.084 4.037 4.120 0.002 0.000 0.239 51 V C 2.584 178.608 176.094 -0.118 0.000 1.035 51 V CA 1.368 63.664 62.300 -0.006 0.000 1.018 51 V CB -1.033 30.782 31.823 -0.013 0.000 0.658 51 V HN -0.013 nan 8.190 nan 0.000 0.459 52 L N -0.220 120.848 121.223 -0.258 0.000 2.585 52 L HA 0.277 4.618 4.340 0.002 0.000 0.226 52 L C 0.648 177.282 176.870 -0.394 0.000 1.113 52 L CA 0.451 54.959 54.840 -0.553 0.000 0.876 52 L CB 0.060 41.716 42.059 -0.672 0.000 1.072 52 L HN 0.387 nan 8.230 nan 0.000 0.468 53 N N 0.750 119.289 118.700 -0.269 0.000 2.733 53 N HA 0.200 4.941 4.740 0.002 0.000 0.271 53 N C -2.720 172.636 175.510 -0.256 0.000 1.720 53 N CA -1.441 51.453 53.050 -0.261 0.000 0.803 53 N CB 1.237 39.583 38.487 -0.236 0.000 1.208 53 N HN -0.093 nan 8.380 nan 0.000 0.498 54 P HA 0.140 nan 4.420 nan 0.000 0.282 54 P C 1.412 178.579 177.300 -0.223 0.000 1.259 54 P CA -0.507 62.460 63.100 -0.222 0.000 0.826 54 P CB 1.041 32.600 31.700 -0.234 0.000 1.064 55 M N 0.783 120.434 119.600 0.085 0.000 2.146 55 M HA -0.188 4.293 4.480 0.002 0.000 0.251 55 M C 1.545 177.866 176.300 0.036 0.000 1.083 55 M CA 2.324 57.685 55.300 0.102 0.000 1.076 55 M CB -1.590 30.925 32.600 -0.141 0.000 1.332 55 M HN 0.402 nan 8.290 nan 0.000 0.400 56 W N 0.245 121.556 121.300 0.019 0.000 2.961 56 W HA 0.122 4.783 4.660 0.002 0.000 0.240 56 W C 1.097 177.668 176.519 0.087 0.000 1.305 56 W CA 0.032 57.405 57.345 0.048 0.000 1.465 56 W CB -0.950 28.524 29.460 0.025 0.000 1.135 56 W HN 0.281 nan 8.180 nan 0.000 0.688 57 R N 0.800 121.115 120.500 -0.308 0.000 2.265 57 R HA 0.063 4.404 4.340 0.002 0.000 0.194 57 R C 1.297 177.568 176.300 -0.048 0.000 0.931 57 R CA 0.478 56.439 56.100 -0.232 0.000 1.032 57 R CB -0.152 29.908 30.300 -0.401 0.000 0.980 57 R HN 0.429 nan 8.270 nan 0.000 0.497 58 Q N 0.013 119.804 119.800 -0.015 0.000 2.217 58 Q HA 0.192 4.533 4.340 0.002 0.000 0.226 58 Q C 0.223 176.282 176.000 0.099 0.000 0.875 58 Q CA 0.139 55.961 55.803 0.032 0.000 0.974 58 Q CB 0.770 29.531 28.738 0.039 0.000 1.079 58 Q HN 0.311 nan 8.270 nan 0.000 0.463 59 G N 1.738 110.628 108.800 0.151 0.000 2.356 59 G HA2 -0.263 3.698 3.960 0.002 0.000 0.296 59 G HA3 -0.263 3.698 3.960 0.002 0.000 0.296 59 G C 0.072 175.106 174.900 0.222 0.000 1.022 59 G CA 0.138 45.359 45.100 0.201 0.000 0.961 59 G HN 0.206 nan 8.290 nan 0.000 0.510 60 M N -1.030 118.697 119.600 0.212 0.000 2.180 60 M HA 0.525 5.006 4.480 0.002 0.000 0.358 60 M C 0.886 177.379 176.300 0.322 0.000 1.233 60 M CA -0.707 54.700 55.300 0.179 0.000 1.114 60 M CB 0.976 33.585 32.600 0.015 0.000 1.594 60 M HN 0.195 nan 8.290 nan 0.000 0.467 61 F N 2.534 122.606 119.950 0.202 0.000 2.640 61 F HA 0.173 4.701 4.527 0.002 0.000 0.285 61 F C 1.271 177.356 175.800 0.476 0.000 1.031 61 F CA 0.589 58.813 58.000 0.374 0.000 1.240 61 F CB 0.418 39.654 39.000 0.393 0.000 1.011 61 F HN 0.313 nan 8.300 nan 0.000 0.656 62 V N 0.363 120.427 119.914 0.250 0.000 2.685 62 V HA -0.092 4.029 4.120 0.002 0.000 0.244 62 V C 2.146 178.286 176.094 0.078 0.000 1.054 62 V CA 1.164 63.559 62.300 0.159 0.000 1.076 62 V CB -0.210 31.654 31.823 0.069 0.000 0.725 62 V HN 0.308 nan 8.190 nan 0.000 0.467 63 L N 1.679 122.869 121.223 -0.055 0.000 2.081 63 L HA -0.111 4.230 4.340 0.002 0.000 0.212 63 L C 0.151 176.898 176.870 -0.205 0.000 1.080 63 L CA 2.476 57.190 54.840 -0.210 0.000 0.754 63 L CB -1.244 40.533 42.059 -0.470 0.000 0.893 63 L HN 0.294 nan 8.230 nan 0.000 0.433 64 P HA -0.171 nan 4.420 nan 0.000 0.216 64 P C 1.685 178.674 177.300 -0.518 0.000 1.153 64 P CA 1.493 64.212 63.100 -0.634 0.000 0.844 64 P CB -0.239 30.736 31.700 -1.208 0.000 0.787 65 F N -0.550 119.313 119.950 -0.144 0.000 2.408 65 F HA -0.022 4.506 4.527 0.002 0.000 0.300 65 F C 2.635 178.431 175.800 -0.007 0.000 1.090 65 F CA 1.174 59.164 58.000 -0.016 0.000 1.427 65 F CB -0.963 38.040 39.000 0.005 0.000 1.070 65 F HN -0.176 nan 8.300 nan 0.000 0.549 66 M N -1.329 118.345 119.600 0.124 0.000 2.476 66 M HA 0.046 4.527 4.480 0.002 0.000 0.262 66 M C 2.233 178.584 176.300 0.086 0.000 1.111 66 M CA 0.877 56.249 55.300 0.122 0.000 1.127 66 M CB -0.177 32.551 32.600 0.213 0.000 1.376 66 M HN 0.154 nan 8.290 nan 0.000 0.465 67 A N 0.010 122.865 122.820 0.058 0.000 1.984 67 A HA -0.022 4.299 4.320 0.002 0.000 0.214 67 A C 2.046 179.713 177.584 0.138 0.000 1.173 67 A CA 0.648 52.728 52.037 0.071 0.000 0.673 67 A CB -0.417 18.533 19.000 -0.084 0.000 0.830 67 A HN 0.379 nan 8.150 nan 0.000 0.453 68 R N -0.331 120.187 120.500 0.031 0.000 2.200 68 R HA -0.026 4.315 4.340 0.002 0.000 0.234 68 R C 0.712 177.142 176.300 0.217 0.000 1.127 68 R CA 1.262 57.445 56.100 0.138 0.000 0.989 68 R CB -0.205 30.134 30.300 0.065 0.000 0.869 68 R HN 0.509 nan 8.270 nan 0.000 0.459 69 L N -1.794 119.541 121.223 0.187 0.000 2.808 69 L HA 0.338 4.679 4.340 0.002 0.000 0.246 69 L C 1.039 178.062 176.870 0.256 0.000 1.153 69 L CA 0.332 55.319 54.840 0.244 0.000 0.956 69 L CB 1.302 43.466 42.059 0.175 0.000 1.270 69 L HN 0.505 nan 8.230 nan 0.000 0.528 70 G N -0.307 108.587 108.800 0.157 0.000 3.180 70 G HA2 -0.215 3.746 3.960 0.002 0.000 0.197 70 G HA3 -0.215 3.746 3.960 0.002 0.000 0.197 70 G C 0.180 175.069 174.900 -0.017 0.000 1.149 70 G CA -0.367 44.774 45.100 0.068 0.000 0.847 70 G HN -0.088 nan 8.290 nan 0.000 0.469 71 V N 3.541 123.397 119.914 -0.098 0.000 2.420 71 V HA 0.403 4.525 4.120 0.002 0.000 0.274 71 V C 1.390 177.193 176.094 -0.484 0.000 1.003 71 V CA 1.829 63.926 62.300 -0.338 0.000 1.092 71 V CB 0.538 32.102 31.823 -0.430 0.000 1.002 71 V HN 0.939 nan 8.190 nan 0.000 0.473 72 T N 0.761 115.081 114.554 -0.390 0.000 3.275 72 T HA 0.450 4.801 4.350 0.002 0.000 0.298 72 T C 0.379 175.016 174.700 -0.106 0.000 0.988 72 T CA 0.248 62.276 62.100 -0.120 0.000 0.936 72 T CB 0.492 69.459 68.868 0.165 0.000 1.159 72 T HN 0.757 nan 8.240 nan 0.000 0.519 73 G N 0.293 108.825 108.800 -0.446 0.000 2.658 73 G HA2 0.623 4.584 3.960 0.002 0.000 0.292 73 G HA3 0.623 4.584 3.960 0.002 0.000 0.292 73 G C -1.560 173.040 174.900 -0.501 0.000 1.320 73 G CA -0.761 44.142 45.100 -0.329 0.000 0.933 73 G HN 0.284 nan 8.290 nan 0.000 0.476 74 S N -1.089 114.216 115.700 -0.658 0.000 2.536 74 S HA 0.439 4.910 4.470 0.002 0.000 0.298 74 S C 0.164 174.597 174.600 -0.278 0.000 1.083 74 S CA -0.670 57.138 58.200 -0.652 0.000 0.995 74 S CB 0.858 63.218 63.200 -1.399 0.000 1.058 74 S HN 0.521 nan 8.310 nan 0.000 0.488 75 W N 2.371 123.535 121.300 -0.226 0.000 2.468 75 W HA -0.008 4.653 4.660 0.002 0.000 0.262 75 W C 2.330 178.791 176.519 -0.097 0.000 1.241 75 W CA 1.017 58.275 57.345 -0.145 0.000 1.232 75 W CB -1.330 28.066 29.460 -0.107 0.000 1.124 75 W HN 0.884 nan 8.180 nan 0.000 0.597 76 S N -1.019 114.750 115.700 0.116 0.000 2.603 76 S HA 0.309 4.780 4.470 0.002 0.000 0.220 76 S C 1.749 176.420 174.600 0.120 0.000 0.967 76 S CA 0.871 59.160 58.200 0.148 0.000 0.920 76 S CB 0.015 63.377 63.200 0.270 0.000 0.773 76 S HN 0.345 nan 8.310 nan 0.000 0.529 77 G N 1.052 109.856 108.800 0.007 0.000 2.339 77 G HA2 -0.213 3.748 3.960 0.002 0.000 0.209 77 G HA3 -0.213 3.748 3.960 0.002 0.000 0.209 77 G C 0.133 175.078 174.900 0.075 0.000 1.015 77 G CA -0.230 44.901 45.100 0.052 0.000 0.635 77 G HN 0.683 nan 8.290 nan 0.000 0.499 78 W N 1.883 123.257 121.300 0.123 0.000 2.030 78 W HA 0.722 5.383 4.660 0.002 0.000 0.360 78 W C 0.334 176.955 176.519 0.171 0.000 1.370 78 W CA 0.402 57.825 57.345 0.130 0.000 1.433 78 W CB 0.077 29.610 29.460 0.123 0.000 1.204 78 W HN 1.011 nan 8.180 nan 0.000 0.649 79 S N -0.350 115.673 115.700 0.538 0.000 2.537 79 S HA 0.275 4.746 4.470 0.002 0.000 0.270 79 S C 0.446 175.381 174.600 0.560 0.000 1.142 79 S CA -0.784 57.650 58.200 0.391 0.000 0.870 79 S CB 1.477 64.797 63.200 0.201 0.000 1.112 79 S HN 0.392 nan 8.310 nan 0.000 0.466 80 I N 2.470 123.371 120.570 0.551 0.000 2.236 80 I HA -0.194 3.977 4.170 0.002 0.000 0.249 80 I C 2.872 179.230 176.117 0.402 0.000 1.102 80 I CA 2.563 64.153 61.300 0.483 0.000 1.365 80 I CB -1.963 36.286 38.000 0.415 0.000 1.051 80 I HN 1.032 nan 8.210 nan 0.000 0.420 81 T N -2.093 112.687 114.554 0.377 0.000 3.055 81 T HA 0.171 4.522 4.350 0.002 0.000 0.265 81 T C 1.551 176.399 174.700 0.247 0.000 1.111 81 T CA 0.921 63.214 62.100 0.322 0.000 1.118 81 T CB 0.004 69.016 68.868 0.240 0.000 0.909 81 T HN 0.544 nan 8.240 nan 0.000 0.501 82 G N 0.792 109.744 108.800 0.253 0.000 2.148 82 G HA2 -0.159 3.802 3.960 0.002 0.000 0.203 82 G HA3 -0.159 3.802 3.960 0.002 0.000 0.203 82 G C -0.293 174.709 174.900 0.170 0.000 0.993 82 G CA -0.117 45.106 45.100 0.204 0.000 0.661 82 G HN 0.643 nan 8.290 nan 0.000 0.518 83 E N 0.448 120.749 120.200 0.169 0.000 2.312 83 E HA 0.640 4.991 4.350 0.002 0.000 0.259 83 E C 0.578 177.259 176.600 0.135 0.000 1.122 83 E CA 0.169 56.647 56.400 0.129 0.000 0.922 83 E CB 0.936 30.699 29.700 0.105 0.000 1.109 83 E HN 0.365 nan 8.360 nan 0.000 0.442 84 T N -2.868 111.748 114.554 0.104 0.000 2.888 84 T HA 0.532 4.883 4.350 0.002 0.000 0.288 84 T C 0.954 175.697 174.700 0.073 0.000 1.063 84 T CA -0.409 61.751 62.100 0.099 0.000 1.010 84 T CB 1.477 70.399 68.868 0.090 0.000 1.214 84 T HN 0.696 nan 8.240 nan 0.000 0.533 85 G N 0.599 109.438 108.800 0.065 0.000 2.228 85 G HA2 -0.281 3.680 3.960 0.002 0.000 0.270 85 G HA3 -0.281 3.680 3.960 0.002 0.000 0.270 85 G C 0.204 175.129 174.900 0.043 0.000 0.976 85 G CA 0.548 45.678 45.100 0.049 0.000 0.636 85 G HN 1.345 nan 8.290 nan 0.000 0.542 86 I N -1.100 119.498 120.570 0.047 0.000 2.754 86 I HA 0.588 4.759 4.170 0.002 0.000 0.285 86 I C 0.020 176.155 176.117 0.029 0.000 1.166 86 I CA -1.334 59.988 61.300 0.036 0.000 1.417 86 I CB 0.966 38.989 38.000 0.039 0.000 1.382 86 I HN 0.016 nan 8.210 nan 0.000 0.588 87 D N 6.680 127.096 120.400 0.027 0.000 2.464 87 D HA 0.304 4.945 4.640 0.002 0.000 0.243 87 D C -1.538 174.784 176.300 0.036 0.000 1.104 87 D CA -1.535 52.484 54.000 0.032 0.000 0.883 87 D CB 1.444 42.262 40.800 0.029 0.000 1.050 87 D HN 0.551 nan 8.370 nan 0.000 0.524 88 P HA 0.066 nan 4.420 nan 0.000 0.226 88 P C 0.912 178.261 177.300 0.081 0.000 1.153 88 P CA 0.813 63.924 63.100 0.018 0.000 0.777 88 P CB 0.448 32.113 31.700 -0.060 0.000 0.794 89 G N 0.652 109.522 108.800 0.116 0.000 2.498 89 G HA2 -0.352 3.609 3.960 0.002 0.000 0.251 89 G HA3 -0.352 3.609 3.960 0.002 0.000 0.251 89 G C 0.263 175.312 174.900 0.249 0.000 1.170 89 G CA 0.028 45.211 45.100 0.139 0.000 0.944 89 G HN 0.268 nan 8.290 nan 0.000 0.567 90 F N 0.587 120.575 119.950 0.063 0.000 2.317 90 F HA 0.384 4.912 4.527 0.002 0.000 0.293 90 F C 1.683 177.498 175.800 0.026 0.000 1.085 90 F CA 0.753 58.805 58.000 0.087 0.000 1.390 90 F CB 0.072 38.886 39.000 -0.311 0.000 1.077 90 F HN 0.344 nan 8.300 nan 0.000 0.517 91 W N 3.000 124.357 121.300 0.095 0.000 1.371 91 W HA 0.222 4.883 4.660 0.002 0.000 0.482 91 W C 0.544 176.862 176.519 -0.335 0.000 0.640 91 W CA -0.501 56.772 57.345 -0.120 0.000 2.164 91 W CB -0.534 28.939 29.460 0.021 0.000 1.613 91 W HN -0.028 nan 8.180 nan 0.000 0.212 92 S N -1.002 114.454 115.700 -0.406 0.000 2.722 92 S HA 0.386 4.857 4.470 0.002 0.000 0.292 92 S C 0.756 174.977 174.600 -0.631 0.000 1.135 92 S CA -0.787 57.043 58.200 -0.617 0.000 1.003 92 S CB 0.835 63.532 63.200 -0.837 0.000 1.067 92 S HN 0.200 nan 8.310 nan 0.000 0.546 93 F N 1.061 120.762 119.950 -0.415 0.000 2.115 93 F HA -0.117 4.411 4.527 0.002 0.000 0.300 93 F C 2.442 177.986 175.800 -0.426 0.000 1.092 93 F CA 1.998 59.804 58.000 -0.323 0.000 1.245 93 F CB -1.067 37.784 39.000 -0.247 0.000 0.995 93 F HN 0.590 nan 8.300 nan 0.000 0.481 94 E N 0.108 120.001 120.200 -0.511 0.000 2.058 94 E HA -0.125 4.226 4.350 0.002 0.000 0.194 94 E C 2.628 178.724 176.600 -0.840 0.000 0.997 94 E CA 1.289 57.255 56.400 -0.723 0.000 0.801 94 E CB -1.108 27.885 29.700 -1.178 0.000 0.746 94 E HN 0.364 nan 8.360 nan 0.000 0.450 95 G N 0.611 108.658 108.800 -1.255 0.000 2.514 95 G HA2 -0.299 3.662 3.960 0.002 0.000 0.217 95 G HA3 -0.299 3.662 3.960 0.002 0.000 0.217 95 G C 1.769 176.577 174.900 -0.154 0.000 1.198 95 G CA 1.379 45.901 45.100 -0.964 0.000 0.780 95 G HN 0.202 nan 8.290 nan 0.000 0.565 96 V N 1.787 121.720 119.914 0.032 0.000 2.252 96 V HA -0.215 3.906 4.120 0.002 0.000 0.249 96 V C 3.380 179.589 176.094 0.192 0.000 1.056 96 V CA 2.347 64.793 62.300 0.243 0.000 1.022 96 V CB -1.186 30.690 31.823 0.087 0.000 0.641 96 V HN 0.522 nan 8.190 nan 0.000 0.445 97 A N -0.193 122.625 122.820 -0.004 0.000 1.908 97 A HA -0.233 4.088 4.320 0.002 0.000 0.218 97 A C 2.184 179.815 177.584 0.078 0.000 1.181 97 A CA 2.314 54.336 52.037 -0.024 0.000 0.627 97 A CB -0.654 18.303 19.000 -0.071 0.000 0.818 97 A HN 0.479 nan 8.150 nan 0.000 0.445 98 L N -0.124 121.137 121.223 0.064 0.000 1.970 98 L HA -0.120 4.221 4.340 0.002 0.000 0.212 98 L C 2.696 179.715 176.870 0.249 0.000 1.071 98 L CA 2.544 57.474 54.840 0.151 0.000 0.751 98 L CB -1.131 41.034 42.059 0.178 0.000 0.889 98 L HN 0.382 nan 8.230 nan 0.000 0.432 99 A N -0.939 122.095 122.820 0.357 0.000 1.881 99 A HA -0.364 3.957 4.320 0.002 0.000 0.219 99 A C 2.161 179.914 177.584 0.281 0.000 1.215 99 A CA 2.420 54.691 52.037 0.389 0.000 0.648 99 A CB -1.442 17.906 19.000 0.579 0.000 0.832 99 A HN 0.742 nan 8.150 nan 0.000 0.455 100 H N -0.418 118.749 119.070 0.161 0.000 2.353 100 H HA -0.117 4.440 4.556 0.002 0.000 0.298 100 H C 1.946 177.336 175.328 0.103 0.000 1.103 100 H CA 1.663 57.782 56.048 0.118 0.000 1.293 100 H CB -0.299 29.515 29.762 0.087 0.000 1.372 100 H HN 0.391 nan 8.280 nan 0.000 0.501 101 I N 0.109 120.812 120.570 0.222 0.000 2.264 101 I HA -0.216 3.955 4.170 0.002 0.000 0.248 101 I C 2.210 178.403 176.117 0.127 0.000 1.111 101 I CA 0.967 62.351 61.300 0.141 0.000 1.382 101 I CB -0.947 37.117 38.000 0.107 0.000 1.060 101 I HN 0.141 nan 8.210 nan 0.000 0.418 102 V N 0.571 120.570 119.914 0.142 0.000 2.323 102 V HA -0.202 3.919 4.120 0.002 0.000 0.244 102 V C 2.493 178.658 176.094 0.118 0.000 1.041 102 V CA 1.087 63.462 62.300 0.125 0.000 1.025 102 V CB -0.826 31.077 31.823 0.132 0.000 0.656 102 V HN 0.316 nan 8.190 nan 0.000 0.451 103 L N 0.503 121.793 121.223 0.112 0.000 2.189 103 L HA -0.164 4.177 4.340 0.002 0.000 0.214 103 L C 2.483 179.419 176.870 0.110 0.000 1.097 103 L CA 2.380 57.274 54.840 0.089 0.000 0.764 103 L CB -0.787 41.291 42.059 0.032 0.000 0.900 103 L HN 0.342 nan 8.230 nan 0.000 0.436 104 S N -0.770 115.003 115.700 0.123 0.000 2.357 104 S HA -0.044 4.427 4.470 0.002 0.000 0.221 104 S C 2.061 176.754 174.600 0.156 0.000 1.031 104 S CA 0.919 59.200 58.200 0.134 0.000 0.982 104 S CB -0.785 62.486 63.200 0.119 0.000 0.853 104 S HN 0.621 nan 8.310 nan 0.000 0.458 105 G N 1.638 110.516 108.800 0.131 0.000 2.442 105 G HA2 -0.109 3.852 3.960 0.002 0.000 0.219 105 G HA3 -0.109 3.852 3.960 0.002 0.000 0.219 105 G C 1.425 176.464 174.900 0.232 0.000 1.141 105 G CA 0.936 46.127 45.100 0.151 0.000 0.763 105 G HN 0.515 nan 8.290 nan 0.000 0.554 106 L N -0.237 121.093 121.223 0.179 0.000 2.056 106 L HA 0.062 4.403 4.340 0.002 0.000 0.207 106 L C 2.856 179.837 176.870 0.185 0.000 1.078 106 L CA 0.461 55.400 54.840 0.164 0.000 0.749 106 L CB -0.385 41.745 42.059 0.119 0.000 0.901 106 L HN 0.155 nan 8.230 nan 0.000 0.433 107 L N -1.307 120.029 121.223 0.189 0.000 2.191 107 L HA -0.239 4.102 4.340 0.002 0.000 0.212 107 L C 2.487 179.500 176.870 0.240 0.000 1.103 107 L CA 1.034 55.990 54.840 0.194 0.000 0.769 107 L CB -0.471 41.694 42.059 0.176 0.000 0.908 107 L HN 0.187 nan 8.230 nan 0.000 0.438 108 F N 0.865 120.883 119.950 0.113 0.000 2.031 108 F HA -0.222 4.307 4.527 0.002 0.000 0.295 108 F C 2.226 178.105 175.800 0.132 0.000 1.133 108 F CA 1.582 59.646 58.000 0.108 0.000 1.188 108 F CB -0.434 38.617 39.000 0.084 0.000 0.974 108 F HN -0.172 nan 8.300 nan 0.000 0.473 109 L N 0.279 121.597 121.223 0.158 0.000 2.051 109 L HA -0.307 4.034 4.340 0.002 0.000 0.214 109 L C 2.777 179.700 176.870 0.088 0.000 1.076 109 L CA 1.460 56.338 54.840 0.063 0.000 0.758 109 L CB -1.491 40.668 42.059 0.168 0.000 0.890 109 L HN 0.337 nan 8.230 nan 0.000 0.433 110 A N 0.007 122.915 122.820 0.146 0.000 1.908 110 A HA -0.187 4.134 4.320 0.002 0.000 0.218 110 A C 2.558 180.323 177.584 0.301 0.000 1.181 110 A CA 1.861 54.029 52.037 0.219 0.000 0.627 110 A CB -0.761 18.369 19.000 0.217 0.000 0.818 110 A HN 0.426 nan 8.150 nan 0.000 0.445 111 A N -1.079 121.855 122.820 0.189 0.000 1.940 111 A HA -0.179 4.142 4.320 0.002 0.000 0.219 111 A C 2.309 179.985 177.584 0.154 0.000 1.176 111 A CA 1.731 53.878 52.037 0.184 0.000 0.631 111 A CB -1.249 17.796 19.000 0.076 0.000 0.814 111 A HN 0.610 nan 8.150 nan 0.000 0.446 112 C N -2.942 116.347 119.300 -0.018 0.000 2.436 112 C HA -0.128 4.333 4.460 0.002 0.000 0.277 112 C C 2.337 177.434 174.990 0.178 0.000 1.241 112 C CA 0.690 59.698 59.018 -0.017 0.000 1.721 112 C CB -1.610 26.026 27.740 -0.172 0.000 2.043 112 C HN 0.867 nan 8.230 nan 0.000 0.472 113 W N 0.593 121.930 121.300 0.062 0.000 2.335 113 W HA -0.173 4.489 4.660 0.003 0.000 0.311 113 W C 2.656 179.265 176.519 0.149 0.000 1.213 113 W CA 1.827 59.235 57.345 0.104 0.000 1.274 113 W CB -0.566 28.932 29.460 0.065 0.000 1.148 113 W HN 0.440 nan 8.180 nan 0.000 0.498 114 H N -1.306 118.134 119.070 0.618 0.000 2.545 114 H HA -0.176 4.381 4.556 0.002 0.000 0.282 114 H C 1.792 177.286 175.328 0.277 0.000 1.020 114 H CA 1.564 57.904 56.048 0.487 0.000 1.243 114 H CB -0.793 29.253 29.762 0.473 0.000 1.377 114 H HN 0.462 nan 8.280 nan 0.000 0.581 115 W N 0.745 122.125 121.300 0.134 0.000 2.480 115 W HA -0.101 4.560 4.660 0.002 0.000 0.299 115 W C 1.687 178.212 176.519 0.010 0.000 1.187 115 W CA 0.698 58.080 57.345 0.062 0.000 1.347 115 W CB -0.354 29.108 29.460 0.003 0.000 1.121 115 W HN -0.120 nan 8.180 nan 0.000 0.533 116 V N 0.669 120.572 119.914 -0.019 0.000 2.358 116 V HA -0.258 3.863 4.120 0.002 0.000 0.246 116 V C 0.591 176.376 176.094 -0.515 0.000 1.047 116 V CA 1.464 63.571 62.300 -0.322 0.000 1.035 116 V CB -0.821 30.641 31.823 -0.601 0.000 0.658 116 V HN 0.017 nan 8.190 nan 0.000 0.452 117 Y N 1.000 121.041 120.300 -0.432 0.000 2.832 117 Y HA 0.117 4.668 4.550 0.001 0.000 0.372 117 Y C 1.238 176.961 175.900 -0.296 0.000 1.238 117 Y CA -1.237 56.514 58.100 -0.581 0.000 1.713 117 Y CB -0.690 37.045 38.460 -1.208 0.000 1.809 117 Y HN 0.477 nan 8.280 nan 0.000 0.472 118 W N -1.109 120.122 121.300 -0.116 0.000 2.518 118 W HA 0.001 4.661 4.660 0.001 0.000 0.273 118 W C -0.135 176.435 176.519 0.086 0.000 1.247 118 W CA 0.617 57.928 57.345 -0.057 0.000 1.288 118 W CB -0.134 29.165 29.460 -0.268 0.000 1.107 118 W HN 0.269 nan 8.180 nan 0.000 0.586 119 D N 2.056 121.861 120.400 -0.992 0.000 3.134 119 D HA 0.218 4.859 4.640 0.002 0.000 0.248 119 D C 0.110 176.222 176.300 -0.314 0.000 1.273 119 D CA -0.032 53.452 54.000 -0.861 0.000 0.904 119 D CB -0.735 39.078 40.800 -1.645 0.000 1.089 119 D HN -0.021 nan 8.370 nan 0.000 0.478 120 L N 0.943 122.153 121.223 -0.021 0.000 2.439 120 L HA 0.139 4.480 4.340 0.002 0.000 0.269 120 L C 1.926 178.684 176.870 -0.186 0.000 1.179 120 L CA -0.438 54.342 54.840 -0.099 0.000 0.828 120 L CB 0.814 42.823 42.059 -0.083 0.000 1.106 120 L HN 0.133 nan 8.230 nan 0.000 0.467 121 E N 1.736 121.820 120.200 -0.193 0.000 2.153 121 E HA -0.244 4.107 4.350 0.002 0.000 0.194 121 E C 1.734 178.201 176.600 -0.222 0.000 0.988 121 E CA 0.989 57.294 56.400 -0.160 0.000 0.811 121 E CB -0.333 29.295 29.700 -0.120 0.000 0.746 121 E HN 0.491 nan 8.360 nan 0.000 0.466 122 L N -0.036 120.944 121.223 -0.405 0.000 2.270 122 L HA -0.121 4.220 4.340 0.002 0.000 0.217 122 L C 1.225 177.850 176.870 -0.407 0.000 1.107 122 L CA 1.553 56.112 54.840 -0.468 0.000 0.772 122 L CB -0.481 41.197 42.059 -0.634 0.000 0.902 122 L HN 0.167 nan 8.230 nan 0.000 0.439 123 F N -1.291 118.679 119.950 0.034 0.000 2.749 123 F HA 0.236 4.764 4.527 0.001 0.000 0.300 123 F C 1.185 177.004 175.800 0.032 0.000 1.103 123 F CA -0.416 57.608 58.000 0.040 0.000 1.342 123 F CB -0.396 38.639 39.000 0.058 0.000 1.098 123 F HN -0.193 nan 8.300 nan 0.000 0.586 124 R N 1.340 121.910 120.500 0.115 0.000 2.312 124 R HA 0.169 4.510 4.340 0.002 0.000 0.311 124 R C -0.795 175.532 176.300 0.045 0.000 1.004 124 R CA -0.522 55.624 56.100 0.078 0.000 0.902 124 R CB 0.897 31.220 30.300 0.038 0.000 1.073 124 R HN 0.024 nan 8.270 nan 0.000 0.457 125 D N 3.446 123.876 120.400 0.049 0.000 2.348 125 D HA 0.130 4.771 4.640 0.002 0.000 0.253 125 D C -1.494 174.816 176.300 0.016 0.000 1.161 125 D CA -1.689 52.331 54.000 0.033 0.000 0.876 125 D CB 1.284 42.107 40.800 0.039 0.000 1.160 125 D HN 0.112 nan 8.370 nan 0.000 0.459 126 P HA -0.228 nan 4.420 nan 0.000 0.216 126 P C 1.117 178.416 177.300 -0.000 0.000 1.157 126 P CA 1.191 64.290 63.100 -0.003 0.000 0.880 126 P CB 0.129 31.824 31.700 -0.009 0.000 0.791 127 R N 0.380 120.881 120.500 0.002 0.000 2.126 127 R HA -0.130 4.211 4.340 0.002 0.000 0.224 127 R C 2.028 178.331 176.300 0.006 0.000 1.128 127 R CA 3.113 59.214 56.100 0.002 0.000 0.895 127 R CB -2.122 28.179 30.300 0.001 0.000 0.817 127 R HN 0.214 nan 8.270 nan 0.000 0.435 128 T N -2.467 112.095 114.554 0.012 0.000 3.051 128 T HA 0.120 4.471 4.350 0.002 0.000 0.269 128 T C 1.532 176.243 174.700 0.019 0.000 1.127 128 T CA 0.898 63.008 62.100 0.016 0.000 1.107 128 T CB -0.709 68.172 68.868 0.022 0.000 0.898 128 T HN 0.666 nan 8.240 nan 0.000 0.517 129 G N 2.117 110.928 108.800 0.018 0.000 2.186 129 G HA2 -0.309 3.652 3.960 0.002 0.000 0.266 129 G HA3 -0.309 3.652 3.960 0.002 0.000 0.266 129 G C -0.141 174.778 174.900 0.031 0.000 0.982 129 G CA 0.641 45.752 45.100 0.018 0.000 0.670 129 G HN 0.985 nan 8.290 nan 0.000 0.533 130 E N 0.299 120.523 120.200 0.040 0.000 2.263 130 E HA 0.634 4.985 4.350 0.002 0.000 0.264 130 E C -2.740 173.903 176.600 0.072 0.000 0.923 130 E CA -2.774 53.659 56.400 0.055 0.000 0.802 130 E CB 2.180 31.908 29.700 0.047 0.000 1.228 130 E HN 0.101 nan 8.360 nan 0.000 0.417 131 P HA 0.025 nan 4.420 nan 0.000 0.261 131 P C -0.943 176.415 177.300 0.096 0.000 1.165 131 P CA 0.604 63.776 63.100 0.120 0.000 0.759 131 P CB 0.497 32.272 31.700 0.124 0.000 0.772 132 A N 3.692 126.582 122.820 0.117 0.000 2.594 132 A HA 0.631 4.952 4.320 0.002 0.000 0.296 132 A C -1.602 176.052 177.584 0.118 0.000 1.056 132 A CA -0.661 51.433 52.037 0.095 0.000 0.693 132 A CB 0.923 19.969 19.000 0.078 0.000 1.278 132 A HN 0.394 nan 8.150 nan 0.000 0.408 133 L N 1.526 122.805 121.223 0.093 0.000 2.376 133 L HA 0.415 4.756 4.340 0.002 0.000 0.275 133 L C -0.784 176.134 176.870 0.080 0.000 0.987 133 L CA -0.737 54.162 54.840 0.099 0.000 0.828 133 L CB 2.130 44.237 42.059 0.080 0.000 1.249 133 L HN 0.816 nan 8.230 nan 0.000 0.409 134 D N 3.196 123.644 120.400 0.080 0.000 2.498 134 D HA 0.173 4.814 4.640 0.002 0.000 0.229 134 D C 1.119 177.464 176.300 0.075 0.000 1.188 134 D CA 0.019 54.069 54.000 0.084 0.000 1.028 134 D CB 0.481 41.324 40.800 0.071 0.000 1.087 134 D HN 0.406 nan 8.370 nan 0.000 0.510 135 L N 3.605 124.869 121.223 0.069 0.000 1.963 135 L HA -0.149 4.192 4.340 0.002 0.000 0.220 135 L C -0.407 176.523 176.870 0.099 0.000 1.076 135 L CA 1.261 56.135 54.840 0.057 0.000 0.772 135 L CB -1.731 40.337 42.059 0.014 0.000 0.892 135 L HN 0.353 nan 8.230 nan 0.000 0.435 136 P HA -0.253 nan 4.420 nan 0.000 0.218 136 P C 1.485 178.916 177.300 0.217 0.000 1.154 136 P CA 1.659 64.882 63.100 0.206 0.000 0.872 136 P CB -0.009 31.824 31.700 0.222 0.000 0.790 137 K N -1.305 119.173 120.400 0.130 0.000 2.116 137 K HA -0.019 4.302 4.320 0.002 0.000 0.203 137 K C 2.094 178.703 176.600 0.015 0.000 1.052 137 K CA 1.034 57.366 56.287 0.076 0.000 0.952 137 K CB -0.350 32.174 32.500 0.040 0.000 0.729 137 K HN 0.072 nan 8.250 nan 0.000 0.446 138 M N 0.027 119.618 119.600 -0.015 0.000 2.065 138 M HA -0.204 4.277 4.480 0.002 0.000 0.259 138 M C 2.093 178.262 176.300 -0.217 0.000 1.071 138 M CA 1.745 56.933 55.300 -0.187 0.000 1.109 138 M CB -0.520 31.981 32.600 -0.165 0.000 1.313 138 M HN 0.156 nan 8.290 nan 0.000 0.408 139 F N 1.112 120.980 119.950 -0.138 0.000 2.115 139 F HA -0.190 4.338 4.527 0.002 0.000 0.300 139 F C 2.079 177.872 175.800 -0.011 0.000 1.092 139 F CA 1.885 59.845 58.000 -0.065 0.000 1.245 139 F CB -1.121 37.834 39.000 -0.075 0.000 0.995 139 F HN 0.112 nan 8.300 nan 0.000 0.481 140 G N 0.921 109.581 108.800 -0.232 0.000 2.459 140 G HA2 -0.234 3.727 3.960 0.002 0.000 0.217 140 G HA3 -0.234 3.727 3.960 0.002 0.000 0.217 140 G C 1.843 176.676 174.900 -0.112 0.000 1.183 140 G CA 1.286 46.266 45.100 -0.200 0.000 0.776 140 G HN 0.489 nan 8.290 nan 0.000 0.552 141 I N 0.084 120.612 120.570 -0.070 0.000 2.069 141 I HA -0.264 3.907 4.170 0.002 0.000 0.237 141 I C 2.549 178.758 176.117 0.153 0.000 1.053 141 I CA 1.833 63.144 61.300 0.018 0.000 1.311 141 I CB -0.842 37.140 38.000 -0.031 0.000 1.030 141 I HN 0.278 nan 8.210 nan 0.000 0.398 142 H N 0.156 119.247 119.070 0.036 0.000 2.289 142 H HA -0.263 4.294 4.556 0.002 0.000 0.294 142 H C 2.158 177.485 175.328 -0.003 0.000 1.095 142 H CA 1.523 57.595 56.048 0.041 0.000 1.256 142 H CB -0.181 29.616 29.762 0.059 0.000 1.359 142 H HN 0.208 nan 8.280 nan 0.000 0.487 143 L N 0.814 122.022 121.223 -0.025 0.000 2.127 143 L HA -0.187 4.155 4.340 0.002 0.000 0.211 143 L C 2.113 178.983 176.870 0.000 0.000 1.089 143 L CA 1.326 56.090 54.840 -0.126 0.000 0.757 143 L CB -0.802 40.928 42.059 -0.548 0.000 0.899 143 L HN 0.188 nan 8.230 nan 0.000 0.434 144 F N -0.577 119.339 119.950 -0.057 0.000 2.113 144 F HA -0.165 4.363 4.527 0.002 0.000 0.297 144 F C 2.031 177.851 175.800 0.033 0.000 1.103 144 F CA 1.718 59.715 58.000 -0.004 0.000 1.248 144 F CB -0.293 38.708 39.000 0.002 0.000 0.999 144 F HN 0.060 nan 8.300 nan 0.000 0.475 145 L N 0.055 121.336 121.223 0.096 0.000 2.046 145 L HA -0.172 4.169 4.340 0.002 0.000 0.208 145 L C 2.801 179.652 176.870 -0.031 0.000 1.077 145 L CA 1.168 56.025 54.840 0.028 0.000 0.747 145 L CB -1.241 40.908 42.059 0.150 0.000 0.896 145 L HN 0.259 nan 8.230 nan 0.000 0.432 146 A N 0.410 123.231 122.820 0.002 0.000 1.841 146 A HA -0.163 4.158 4.320 0.002 0.000 0.216 146 A C 2.433 180.020 177.584 0.005 0.000 1.199 146 A CA 1.896 53.942 52.037 0.015 0.000 0.621 146 A CB -1.544 17.477 19.000 0.034 0.000 0.835 146 A HN 0.418 nan 8.150 nan 0.000 0.445 147 G N -0.427 108.352 108.800 -0.035 0.000 2.450 147 G HA2 -0.181 3.780 3.960 0.002 0.000 0.220 147 G HA3 -0.181 3.780 3.960 0.002 0.000 0.220 147 G C 1.458 176.349 174.900 -0.015 0.000 1.130 147 G CA 1.317 46.404 45.100 -0.023 0.000 0.760 147 G HN 0.516 nan 8.290 nan 0.000 0.557 148 L N 0.034 121.158 121.223 -0.165 0.000 2.046 148 L HA 0.091 4.432 4.340 0.002 0.000 0.208 148 L C 2.435 179.371 176.870 0.110 0.000 1.077 148 L CA 1.612 56.374 54.840 -0.130 0.000 0.747 148 L CB -0.592 41.255 42.059 -0.354 0.000 0.896 148 L HN 0.204 nan 8.230 nan 0.000 0.432 149 L N -1.151 120.122 121.223 0.083 0.000 2.131 149 L HA -0.105 4.236 4.340 0.002 0.000 0.206 149 L C 2.647 179.642 176.870 0.208 0.000 1.087 149 L CA 1.805 56.724 54.840 0.132 0.000 0.767 149 L CB -0.941 41.161 42.059 0.072 0.000 0.917 149 L HN 0.502 nan 8.230 nan 0.000 0.441 150 C N -0.550 118.870 119.300 0.201 0.000 2.413 150 C HA -0.249 4.212 4.460 0.002 0.000 0.277 150 C C 2.746 177.937 174.990 0.336 0.000 1.228 150 C CA 1.175 60.364 59.018 0.285 0.000 1.731 150 C CB -1.337 26.518 27.740 0.192 0.000 2.042 150 C HN 0.674 nan 8.230 nan 0.000 0.468 151 F N 2.089 122.133 119.950 0.156 0.000 2.025 151 F HA 0.003 4.531 4.527 0.002 0.000 0.297 151 F C 2.266 178.211 175.800 0.241 0.000 1.132 151 F CA 2.430 60.524 58.000 0.156 0.000 1.191 151 F CB -1.163 37.898 39.000 0.101 0.000 0.963 151 F HN 0.277 nan 8.300 nan 0.000 0.481 152 G N -0.263 108.658 108.800 0.201 0.000 2.513 152 G HA2 -0.386 3.575 3.960 0.002 0.000 0.219 152 G HA3 -0.386 3.575 3.960 0.002 0.000 0.219 152 G C 1.690 176.750 174.900 0.266 0.000 1.160 152 G CA 1.025 46.292 45.100 0.279 0.000 0.767 152 G HN 0.481 nan 8.290 nan 0.000 0.571 153 F N 2.517 122.519 119.950 0.087 0.000 2.065 153 F HA -0.041 4.487 4.527 0.002 0.000 0.298 153 F C 2.544 178.333 175.800 -0.019 0.000 1.112 153 F CA 1.790 59.808 58.000 0.031 0.000 1.212 153 F CB -0.728 38.257 39.000 -0.026 0.000 0.975 153 F HN 0.106 nan 8.300 nan 0.000 0.476 154 G N -0.649 108.005 108.800 -0.244 0.000 2.394 154 G HA2 -0.101 3.860 3.960 0.002 0.000 0.215 154 G HA3 -0.101 3.860 3.960 0.002 0.000 0.215 154 G C 1.834 176.520 174.900 -0.357 0.000 1.165 154 G CA 0.841 45.716 45.100 -0.375 0.000 0.784 154 G HN 0.652 nan 8.290 nan 0.000 0.535 155 A N 0.225 122.774 122.820 -0.451 0.000 1.877 155 A HA 0.153 4.474 4.320 0.002 0.000 0.216 155 A C 2.112 179.266 177.584 -0.716 0.000 1.186 155 A CA 1.559 53.175 52.037 -0.701 0.000 0.620 155 A CB -0.408 17.847 19.000 -1.242 0.000 0.822 155 A HN 0.350 nan 8.150 nan 0.000 0.443 156 F N -2.937 116.925 119.950 -0.147 0.000 2.553 156 F HA 0.180 4.708 4.527 0.002 0.000 0.282 156 F C 2.147 177.919 175.800 -0.048 0.000 1.089 156 F CA 0.753 58.741 58.000 -0.020 0.000 1.411 156 F CB -0.460 38.606 39.000 0.109 0.000 1.125 156 F HN 0.336 nan 8.300 nan 0.000 0.610 157 H N 0.699 119.768 119.070 -0.003 0.000 2.260 157 H HA 0.011 4.568 4.556 0.002 0.000 0.304 157 H C 2.097 177.285 175.328 -0.232 0.000 1.059 157 H CA 1.920 57.900 56.048 -0.113 0.000 1.305 157 H CB -0.241 29.465 29.762 -0.094 0.000 1.388 157 H HN 0.011 nan 8.280 nan 0.000 0.496 158 L N 0.239 121.335 121.223 -0.212 0.000 2.131 158 L HA -0.134 4.208 4.340 0.002 0.000 0.210 158 L C 2.479 179.231 176.870 -0.198 0.000 1.092 158 L CA 1.649 56.340 54.840 -0.248 0.000 0.759 158 L CB -0.757 41.038 42.059 -0.439 0.000 0.903 158 L HN 0.565 nan 8.230 nan 0.000 0.435 159 T N -3.924 110.510 114.554 -0.199 0.000 3.043 159 T HA 0.155 4.506 4.350 0.002 0.000 0.263 159 T C 1.592 176.220 174.700 -0.120 0.000 1.094 159 T CA 0.711 62.712 62.100 -0.165 0.000 1.127 159 T CB 0.430 69.185 68.868 -0.188 0.000 0.905 159 T HN 0.493 nan 8.240 nan 0.000 0.490 160 G N 0.706 109.438 108.800 -0.114 0.000 2.217 160 G HA2 -0.266 3.695 3.960 0.002 0.000 0.246 160 G HA3 -0.266 3.695 3.960 0.002 0.000 0.246 160 G C 0.622 175.517 174.900 -0.009 0.000 0.990 160 G CA 0.270 45.322 45.100 -0.081 0.000 0.627 160 G HN 0.443 nan 8.290 nan 0.000 0.522 161 L N -0.963 120.262 121.223 0.003 0.000 1.978 161 L HA 0.176 4.517 4.340 0.002 0.000 0.218 161 L C 1.541 178.579 176.870 0.281 0.000 1.075 161 L CA 2.700 57.594 54.840 0.090 0.000 0.767 161 L CB -0.324 41.732 42.059 -0.005 0.000 0.890 161 L HN 0.464 nan 8.230 nan 0.000 0.434 162 F N -0.345 119.694 119.950 0.148 0.000 2.593 162 F HA 0.591 5.119 4.527 0.002 0.000 0.336 162 F C 0.107 175.943 175.800 0.059 0.000 1.491 162 F CA -0.248 57.835 58.000 0.139 0.000 1.114 162 F CB 0.330 39.461 39.000 0.218 0.000 1.468 162 F HN -0.016 nan 8.300 nan 0.000 0.579 163 G N 2.340 111.027 108.800 -0.188 0.000 2.349 163 G HA2 0.266 4.227 3.960 0.002 0.000 0.294 163 G HA3 0.266 4.227 3.960 0.002 0.000 0.294 163 G C -2.679 172.009 174.900 -0.353 0.000 1.380 163 G CA -0.550 44.305 45.100 -0.408 0.000 0.811 163 G HN -0.050 nan 8.290 nan 0.000 0.519 164 P HA 0.247 nan 4.420 nan 0.000 0.215 164 P C 1.205 178.380 177.300 -0.208 0.000 1.157 164 P CA 2.243 65.176 63.100 -0.278 0.000 0.856 164 P CB 0.607 32.165 31.700 -0.237 0.000 0.786 165 G N 0.534 109.189 108.800 -0.241 0.000 2.301 165 G HA2 0.164 4.125 3.960 0.002 0.000 0.194 165 G HA3 0.164 4.125 3.960 0.002 0.000 0.194 165 G C -0.864 174.051 174.900 0.024 0.000 1.266 165 G CA -0.010 45.028 45.100 -0.104 0.000 1.210 165 G HN 0.612 nan 8.290 nan 0.000 0.524 166 M N -2.291 117.320 119.600 0.020 0.000 2.813 166 M HA 0.646 5.127 4.480 0.002 0.000 0.270 166 M C -1.257 175.105 176.300 0.104 0.000 1.267 166 M CA -0.994 54.367 55.300 0.103 0.000 0.822 166 M CB 2.170 34.816 32.600 0.076 0.000 1.671 166 M HN 0.839 nan 8.290 nan 0.000 0.468 167 W N 2.646 123.955 121.300 0.015 0.000 2.303 167 W HA 0.569 5.230 4.660 0.002 0.000 0.318 167 W C -2.041 174.484 176.519 0.009 0.000 1.362 167 W CA 0.072 57.425 57.345 0.013 0.000 1.234 167 W CB 1.080 30.548 29.460 0.012 0.000 1.248 167 W HN 0.517 nan 8.180 nan 0.000 0.546 168 V N 5.269 124.979 119.914 -0.339 0.000 2.760 168 V HA 0.424 4.545 4.120 0.002 0.000 0.309 168 V C -0.337 175.606 176.094 -0.251 0.000 1.077 168 V CA -0.621 61.578 62.300 -0.168 0.000 0.910 168 V CB 1.894 33.630 31.823 -0.146 0.000 1.008 168 V HN 0.536 nan 8.190 nan 0.000 0.424 169 S N 1.739 117.418 115.700 -0.035 0.000 2.651 169 S HA 0.509 4.980 4.470 0.002 0.000 0.279 169 S C -1.181 173.436 174.600 0.029 0.000 1.148 169 S CA -0.768 57.444 58.200 0.020 0.000 0.837 169 S CB 1.692 65.017 63.200 0.208 0.000 1.138 169 S HN 0.949 nan 8.310 nan 0.000 0.478 170 D N 1.388 121.815 120.400 0.045 0.000 2.356 170 D HA 0.188 4.829 4.640 0.002 0.000 0.258 170 D C -1.874 174.417 176.300 -0.016 0.000 1.279 170 D CA -0.844 53.175 54.000 0.030 0.000 1.016 170 D CB -0.661 40.185 40.800 0.076 0.000 1.107 170 D HN 0.270 nan 8.370 nan 0.000 0.544 171 P HA 0.017 nan 4.420 nan 0.000 0.242 171 P C -0.480 176.429 177.300 -0.651 0.000 1.197 171 P CA 0.822 63.709 63.100 -0.356 0.000 0.765 171 P CB -0.112 31.333 31.700 -0.424 0.000 0.936 172 Y N -1.528 118.769 120.300 -0.005 0.000 2.685 172 Y HA 0.400 4.951 4.550 0.002 0.000 0.257 172 Y C 1.157 177.093 175.900 0.060 0.000 1.053 172 Y CA -1.000 57.104 58.100 0.006 0.000 1.106 172 Y CB -0.152 38.303 38.460 -0.009 0.000 1.193 172 Y HN -0.182 nan 8.280 nan 0.000 0.602 173 G N 1.840 110.725 108.800 0.141 0.000 2.144 173 G HA2 -0.253 3.708 3.960 0.002 0.000 0.251 173 G HA3 -0.253 3.708 3.960 0.002 0.000 0.251 173 G C 0.322 175.446 174.900 0.374 0.000 0.780 173 G CA 1.186 46.421 45.100 0.225 0.000 1.183 173 G HN 0.634 nan 8.290 nan 0.000 0.345 174 L N -0.232 121.181 121.223 0.317 0.000 3.066 174 L HA 0.160 4.501 4.340 0.002 0.000 0.272 174 L C 2.157 179.166 176.870 0.233 0.000 1.101 174 L CA 0.765 55.790 54.840 0.308 0.000 1.022 174 L CB 0.278 42.497 42.059 0.266 0.000 1.600 174 L HN 0.333 nan 8.230 nan 0.000 0.559 175 T N -0.388 114.277 114.554 0.186 0.000 2.969 175 T HA 0.182 4.534 4.350 0.002 0.000 0.250 175 T C 1.112 175.844 174.700 0.053 0.000 1.021 175 T CA 0.393 62.558 62.100 0.109 0.000 1.003 175 T CB 0.275 69.179 68.868 0.059 0.000 1.040 175 T HN 0.301 nan 8.240 nan 0.000 0.492 176 G N 2.500 111.357 108.800 0.096 0.000 2.754 176 G HA2 0.204 4.165 3.960 0.002 0.000 0.228 176 G HA3 0.204 4.165 3.960 0.002 0.000 0.228 176 G C 0.145 174.660 174.900 -0.642 0.000 1.016 176 G CA 0.686 45.717 45.100 -0.114 0.000 0.898 176 G HN 0.924 nan 8.290 nan 0.000 0.463 177 S N -1.267 113.478 115.700 -1.592 0.000 2.683 177 S HA 0.357 4.828 4.470 0.002 0.000 0.264 177 S C -1.056 172.866 174.600 -1.130 0.000 1.066 177 S CA -0.446 56.883 58.200 -1.452 0.000 0.846 177 S CB 0.916 63.789 63.200 -0.545 0.000 1.114 177 S HN 1.216 nan 8.310 nan 0.000 0.476 178 V N 2.357 121.955 119.914 -0.526 0.000 2.406 178 V HA 0.612 4.733 4.120 0.002 0.000 0.272 178 V C -0.400 175.581 176.094 -0.189 0.000 1.043 178 V CA 0.104 62.275 62.300 -0.216 0.000 0.915 178 V CB 0.808 32.608 31.823 -0.039 0.000 0.988 178 V HN 0.708 nan 8.190 nan 0.000 0.466 179 Q N 4.912 124.615 119.800 -0.161 0.000 2.377 179 Q HA 0.416 4.757 4.340 0.002 0.000 0.279 179 Q C -2.848 173.088 176.000 -0.106 0.000 1.049 179 Q CA -1.971 53.754 55.803 -0.131 0.000 0.825 179 Q CB 2.865 31.515 28.738 -0.147 0.000 1.401 179 Q HN 0.371 nan 8.270 nan 0.000 0.404 180 P HA 0.109 nan 4.420 nan 0.000 0.271 180 P C -0.815 176.425 177.300 -0.099 0.000 1.220 180 P CA -0.042 62.999 63.100 -0.097 0.000 0.768 180 P CB 0.596 32.246 31.700 -0.082 0.000 0.848 181 V N 3.417 123.262 119.914 -0.115 0.000 2.417 181 V HA 0.583 4.704 4.120 0.002 0.000 0.291 181 V C 0.431 176.439 176.094 -0.144 0.000 1.024 181 V CA -0.904 61.323 62.300 -0.122 0.000 0.861 181 V CB 1.324 33.072 31.823 -0.126 0.000 0.985 181 V HN 0.587 nan 8.190 nan 0.000 0.436 182 A N 6.919 129.657 122.820 -0.137 0.000 2.354 182 A HA 0.757 5.078 4.320 0.002 0.000 0.269 182 A C -2.180 175.254 177.584 -0.251 0.000 1.109 182 A CA -1.313 50.632 52.037 -0.154 0.000 0.800 182 A CB 0.078 19.015 19.000 -0.105 0.000 1.045 182 A HN 0.688 nan 8.150 nan 0.000 0.489 183 P HA 0.195 nan 4.420 nan 0.000 0.276 183 P C -0.438 176.385 177.300 -0.795 0.000 1.264 183 P CA 0.397 63.078 63.100 -0.698 0.000 0.815 183 P CB 0.350 31.434 31.700 -1.026 0.000 1.121 184 E N -0.876 118.672 120.200 -1.087 0.000 2.558 184 E HA 0.138 4.489 4.350 0.002 0.000 0.345 184 E C -1.166 175.087 176.600 -0.578 0.000 0.928 184 E CA -0.175 55.847 56.400 -0.630 0.000 0.774 184 E CB -0.353 29.151 29.700 -0.327 0.000 1.462 184 E HN 0.382 nan 8.360 nan 0.000 0.387 185 W N 3.115 124.442 121.300 0.045 0.000 3.211 185 W HA 0.371 5.032 4.660 0.002 0.000 0.292 185 W C 0.981 177.579 176.519 0.130 0.000 1.268 185 W CA 0.058 57.456 57.345 0.088 0.000 1.702 185 W CB 0.326 29.829 29.460 0.071 0.000 1.092 185 W HN 0.599 nan 8.180 nan 0.000 0.643 186 G N 2.542 111.494 108.800 0.252 0.000 2.590 186 G HA2 0.013 3.974 3.960 0.002 0.000 0.276 186 G HA3 0.013 3.974 3.960 0.002 0.000 0.276 186 G C -0.761 174.274 174.900 0.225 0.000 1.337 186 G CA -0.333 44.886 45.100 0.198 0.000 1.030 186 G HN -0.139 nan 8.290 nan 0.000 0.534 187 P HA -0.053 nan 4.420 nan 0.000 0.217 187 P C 0.954 178.384 177.300 0.216 0.000 1.154 187 P CA 1.402 64.602 63.100 0.167 0.000 0.841 187 P CB 0.129 31.869 31.700 0.066 0.000 0.790 188 D N 0.153 120.631 120.400 0.129 0.000 2.411 188 D HA -0.072 4.569 4.640 0.002 0.000 0.226 188 D C 1.862 178.212 176.300 0.082 0.000 0.988 188 D CA 0.856 54.913 54.000 0.095 0.000 0.938 188 D CB -0.775 40.055 40.800 0.051 0.000 0.883 188 D HN 0.123 nan 8.370 nan 0.000 0.525 189 G N -1.350 107.518 108.800 0.114 0.000 2.920 189 G HA2 -0.064 3.897 3.960 0.002 0.000 0.208 189 G HA3 -0.064 3.897 3.960 0.002 0.000 0.208 189 G C 0.570 175.369 174.900 -0.168 0.000 1.159 189 G CA -0.162 44.913 45.100 -0.042 0.000 0.784 189 G HN 0.254 nan 8.290 nan 0.000 0.535 190 F N 0.293 120.233 119.950 -0.017 0.000 2.664 190 F HA 0.307 4.835 4.527 0.002 0.000 0.303 190 F C 1.005 176.778 175.800 -0.044 0.000 1.092 190 F CA -1.048 56.941 58.000 -0.018 0.000 1.305 190 F CB 0.354 39.354 39.000 0.000 0.000 1.054 190 F HN 0.018 nan 8.300 nan 0.000 0.565 191 N N 3.209 121.942 118.700 0.056 0.000 2.411 191 N HA 0.053 4.794 4.740 0.002 0.000 0.259 191 N C -1.557 173.893 175.510 -0.100 0.000 1.103 191 N CA -1.496 51.556 53.050 0.002 0.000 0.954 191 N CB 1.329 39.838 38.487 0.037 0.000 1.085 191 N HN -0.021 nan 8.380 nan 0.000 0.485 192 P HA -0.173 nan 4.420 nan 0.000 0.217 192 P C 0.317 177.379 177.300 -0.398 0.000 1.148 192 P CA 1.436 64.314 63.100 -0.371 0.000 0.828 192 P CB -0.030 31.337 31.700 -0.554 0.000 0.783 193 Y N -0.806 119.460 120.300 -0.057 0.000 2.462 193 Y HA 0.171 4.722 4.550 0.002 0.000 0.293 193 Y C 1.184 177.049 175.900 -0.057 0.000 1.195 193 Y CA -0.450 57.613 58.100 -0.061 0.000 1.276 193 Y CB -0.709 37.703 38.460 -0.079 0.000 1.082 193 Y HN 0.022 nan 8.280 nan 0.000 0.514 194 N N 0.880 119.594 118.700 0.023 0.000 2.446 194 N HA 0.156 4.897 4.740 0.002 0.000 0.265 194 N C -2.368 173.113 175.510 -0.049 0.000 0.975 194 N CA -1.838 51.208 53.050 -0.007 0.000 0.928 194 N CB 2.030 40.503 38.487 -0.022 0.000 1.160 194 N HN -0.073 nan 8.380 nan 0.000 0.495 195 P HA -0.064 nan 4.420 nan 0.000 0.216 195 P C 1.271 178.507 177.300 -0.107 0.000 1.150 195 P CA 1.161 64.225 63.100 -0.060 0.000 0.843 195 P CB 0.097 31.768 31.700 -0.049 0.000 0.787 196 G N -0.388 108.335 108.800 -0.128 0.000 2.507 196 G HA2 -0.269 3.692 3.960 0.002 0.000 0.221 196 G HA3 -0.269 3.692 3.960 0.002 0.000 0.221 196 G C 1.739 176.499 174.900 -0.234 0.000 1.119 196 G CA 1.058 46.042 45.100 -0.194 0.000 0.751 196 G HN 0.399 nan 8.290 nan 0.000 0.574 197 G N 0.069 108.755 108.800 -0.191 0.000 2.421 197 G HA2 -0.049 3.912 3.960 0.002 0.000 0.217 197 G HA3 -0.049 3.912 3.960 0.002 0.000 0.217 197 G C 1.660 176.474 174.900 -0.144 0.000 1.143 197 G CA 0.994 45.959 45.100 -0.225 0.000 0.784 197 G HN 0.340 nan 8.290 nan 0.000 0.541 198 V N 0.636 120.497 119.914 -0.088 0.000 2.667 198 V HA -0.113 4.008 4.120 0.002 0.000 0.252 198 V C 2.839 178.980 176.094 0.079 0.000 1.065 198 V CA 1.197 63.512 62.300 0.026 0.000 1.083 198 V CB 0.091 31.906 31.823 -0.013 0.000 0.692 198 V HN 0.263 nan 8.190 nan 0.000 0.468 199 V N 0.349 120.209 119.914 -0.090 0.000 2.256 199 V HA -0.092 4.029 4.120 0.002 0.000 0.240 199 V C 2.750 178.785 176.094 -0.100 0.000 1.036 199 V CA 1.599 63.809 62.300 -0.151 0.000 1.008 199 V CB -1.356 30.322 31.823 -0.242 0.000 0.648 199 V HN 0.470 nan 8.190 nan 0.000 0.453 200 A N 0.388 123.060 122.820 -0.247 0.000 1.896 200 A HA -0.412 3.909 4.320 0.002 0.000 0.220 200 A C 2.123 179.692 177.584 -0.025 0.000 1.206 200 A CA 3.031 54.903 52.037 -0.276 0.000 0.647 200 A CB -1.209 17.465 19.000 -0.543 0.000 0.828 200 A HN 0.855 nan 8.150 nan 0.000 0.455 201 H N -0.861 118.152 119.070 -0.093 0.000 2.267 201 H HA -0.267 4.290 4.556 0.002 0.000 0.291 201 H C 1.923 177.242 175.328 -0.015 0.000 1.094 201 H CA 2.713 58.717 56.048 -0.074 0.000 1.227 201 H CB -0.488 29.195 29.762 -0.131 0.000 1.351 201 H HN 0.677 nan 8.280 nan 0.000 0.483 202 H N -0.826 118.202 119.070 -0.070 0.000 2.456 202 H HA -0.004 4.553 4.556 0.002 0.000 0.296 202 H C 2.365 177.688 175.328 -0.008 0.000 1.079 202 H CA 1.445 57.474 56.048 -0.031 0.000 1.322 202 H CB -0.061 29.778 29.762 0.128 0.000 1.388 202 H HN 0.423 nan 8.280 nan 0.000 0.538 203 I N -0.366 120.276 120.570 0.119 0.000 2.277 203 I HA -0.143 4.028 4.170 0.002 0.000 0.243 203 I C 2.539 178.821 176.117 0.276 0.000 1.094 203 I CA 0.818 62.244 61.300 0.210 0.000 1.393 203 I CB -0.250 37.877 38.000 0.212 0.000 1.078 203 I HN 0.295 nan 8.210 nan 0.000 0.417 204 A N 0.926 123.853 122.820 0.178 0.000 1.841 204 A HA -0.117 4.204 4.320 0.002 0.000 0.214 204 A C 2.530 180.132 177.584 0.031 0.000 1.195 204 A CA 1.792 53.910 52.037 0.135 0.000 0.611 204 A CB -1.074 18.021 19.000 0.159 0.000 0.835 204 A HN 0.386 nan 8.150 nan 0.000 0.443 205 A N -0.521 122.219 122.820 -0.132 0.000 1.978 205 A HA 0.076 4.397 4.320 0.002 0.000 0.220 205 A C 2.375 179.923 177.584 -0.059 0.000 1.170 205 A CA 2.070 53.999 52.037 -0.180 0.000 0.636 205 A CB -1.414 17.269 19.000 -0.529 0.000 0.810 205 A HN 0.772 nan 8.150 nan 0.000 0.448 206 G N 0.121 108.930 108.800 0.015 0.000 2.433 206 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 206 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 206 G C 1.541 176.493 174.900 0.086 0.000 1.186 206 G CA 1.146 46.326 45.100 0.133 0.000 0.779 206 G HN 0.479 nan 8.290 nan 0.000 0.543 207 I N 0.269 120.896 120.570 0.094 0.000 2.099 207 I HA -0.183 3.988 4.170 0.002 0.000 0.239 207 I C 2.823 178.938 176.117 -0.004 0.000 1.066 207 I CA 0.728 62.019 61.300 -0.015 0.000 1.324 207 I CB -0.491 37.510 38.000 0.002 0.000 1.037 207 I HN 0.015 nan 8.210 nan 0.000 0.401 208 V N 1.274 121.200 119.914 0.020 0.000 2.439 208 V HA -0.292 3.829 4.120 0.002 0.000 0.253 208 V C 2.484 178.596 176.094 0.029 0.000 1.074 208 V CA 2.264 64.579 62.300 0.026 0.000 1.076 208 V CB -1.415 30.426 31.823 0.029 0.000 0.664 208 V HN 0.645 nan 8.190 nan 0.000 0.461 209 G N -0.615 108.196 108.800 0.017 0.000 2.403 209 G HA2 -0.151 3.811 3.960 0.002 0.000 0.216 209 G HA3 -0.151 3.811 3.960 0.002 0.000 0.216 209 G C 1.520 176.419 174.900 -0.002 0.000 1.154 209 G CA 0.764 45.873 45.100 0.015 0.000 0.784 209 G HN 0.503 nan 8.290 nan 0.000 0.538 210 I N 0.299 120.841 120.570 -0.048 0.000 2.286 210 I HA -0.076 4.095 4.170 0.002 0.000 0.245 210 I C 2.624 178.810 176.117 0.116 0.000 1.104 210 I CA 0.600 61.845 61.300 -0.092 0.000 1.397 210 I CB -0.242 37.641 38.000 -0.197 0.000 1.072 210 I HN 0.137 nan 8.210 nan 0.000 0.417 211 I N 1.189 121.809 120.570 0.083 0.000 2.058 211 I HA -0.329 3.842 4.170 0.002 0.000 0.235 211 I C 2.888 179.108 176.117 0.172 0.000 1.053 211 I CA 1.656 63.028 61.300 0.120 0.000 1.313 211 I CB -0.550 37.495 38.000 0.075 0.000 1.039 211 I HN 0.176 nan 8.210 nan 0.000 0.396 212 A N 0.874 123.776 122.820 0.137 0.000 1.958 212 A HA -0.238 4.083 4.320 0.002 0.000 0.221 212 A C 2.354 180.106 177.584 0.279 0.000 1.178 212 A CA 2.258 54.400 52.037 0.175 0.000 0.642 212 A CB -1.617 17.460 19.000 0.129 0.000 0.816 212 A HN 0.574 nan 8.150 nan 0.000 0.453 213 G N -0.253 108.675 108.800 0.213 0.000 2.433 213 G HA2 -0.179 3.782 3.960 0.002 0.000 0.216 213 G HA3 -0.179 3.782 3.960 0.002 0.000 0.216 213 G C 1.550 176.597 174.900 0.245 0.000 1.186 213 G CA 1.013 46.236 45.100 0.205 0.000 0.779 213 G HN 0.451 nan 8.290 nan 0.000 0.543 214 L N -0.554 120.827 121.223 0.264 0.000 1.997 214 L HA -0.144 4.197 4.340 0.002 0.000 0.216 214 L C 2.573 179.515 176.870 0.119 0.000 1.074 214 L CA 1.744 56.656 54.840 0.120 0.000 0.763 214 L CB -0.626 41.505 42.059 0.120 0.000 0.890 214 L HN 0.288 nan 8.230 nan 0.000 0.434 215 F N 0.384 120.350 119.950 0.025 0.000 2.043 215 F HA -0.358 4.170 4.527 0.002 0.000 0.297 215 F C 2.764 178.524 175.800 -0.067 0.000 1.118 215 F CA 2.025 59.998 58.000 -0.044 0.000 1.202 215 F CB -0.434 38.514 39.000 -0.087 0.000 0.965 215 F HN 0.135 nan 8.300 nan 0.000 0.482 216 H N 0.317 119.659 119.070 0.454 0.000 2.518 216 H HA -0.044 4.513 4.556 0.002 0.000 0.289 216 H C 2.227 177.606 175.328 0.084 0.000 1.051 216 H CA 1.654 57.886 56.048 0.308 0.000 1.280 216 H CB -0.248 29.683 29.762 0.281 0.000 1.380 216 H HN 0.420 nan 8.280 nan 0.000 0.566 217 I N 0.069 120.702 120.570 0.104 0.000 2.876 217 I HA -0.127 4.044 4.170 0.002 0.000 0.264 217 I C 1.812 177.900 176.117 -0.049 0.000 1.204 217 I CA 0.483 61.787 61.300 0.007 0.000 1.485 217 I CB 0.205 38.167 38.000 -0.063 0.000 1.103 217 I HN 0.109 nan 8.210 nan 0.000 0.446 218 L N -0.434 120.723 121.223 -0.110 0.000 2.416 218 L HA 0.183 4.524 4.340 0.002 0.000 0.188 218 L C 0.877 177.610 176.870 -0.229 0.000 1.145 218 L CA 0.104 54.843 54.840 -0.168 0.000 0.826 218 L CB -0.465 41.475 42.059 -0.197 0.000 1.064 218 L HN -0.193 nan 8.230 nan 0.000 0.490 219 V N 2.379 122.023 119.914 -0.450 0.000 2.673 219 V HA 0.032 4.153 4.120 0.002 0.000 0.303 219 V C 0.431 176.406 176.094 -0.199 0.000 1.046 219 V CA -0.055 61.966 62.300 -0.465 0.000 1.126 219 V CB 0.219 31.421 31.823 -1.034 0.000 0.934 219 V HN 0.261 nan 8.190 nan 0.000 0.487 220 R N 5.033 125.477 120.500 -0.092 0.000 2.573 220 R HA 0.443 4.784 4.340 0.002 0.000 0.272 220 R C -2.322 174.022 176.300 0.073 0.000 1.009 220 R CA -2.235 53.874 56.100 0.015 0.000 1.059 220 R CB 0.329 30.627 30.300 -0.004 0.000 1.112 220 R HN 0.513 nan 8.270 nan 0.000 0.517 221 P HA 0.207 nan 4.420 nan 0.000 0.271 221 P C -2.471 174.908 177.300 0.130 0.000 1.233 221 P CA -1.263 61.947 63.100 0.184 0.000 0.764 221 P CB -0.162 31.700 31.700 0.271 0.000 0.825 222 P HA -0.050 nan 4.420 nan 0.000 0.260 222 P C 1.372 178.720 177.300 0.079 0.000 1.185 222 P CA 0.185 63.328 63.100 0.073 0.000 0.763 222 P CB 0.266 32.008 31.700 0.071 0.000 0.776 223 Q N 4.570 124.394 119.800 0.039 0.000 2.124 223 Q HA -0.355 3.986 4.340 0.002 0.000 0.215 223 Q C 1.639 177.683 176.000 0.074 0.000 1.015 223 Q CA 2.040 57.862 55.803 0.032 0.000 0.890 223 Q CB -0.106 28.627 28.738 -0.009 0.000 0.966 223 Q HN 0.327 nan 8.270 nan 0.000 0.412 224 R N 0.019 120.549 120.500 0.050 0.000 2.134 224 R HA -0.185 4.156 4.340 0.002 0.000 0.248 224 R C 2.475 178.809 176.300 0.056 0.000 1.143 224 R CA 1.700 57.826 56.100 0.043 0.000 0.957 224 R CB -1.167 29.151 30.300 0.030 0.000 0.867 224 R HN 0.429 nan 8.270 nan 0.000 0.441 225 L N -1.339 119.929 121.223 0.074 0.000 2.007 225 L HA -0.141 4.200 4.340 0.002 0.000 0.205 225 L C 2.475 179.398 176.870 0.089 0.000 1.073 225 L CA 1.215 56.095 54.840 0.067 0.000 0.744 225 L CB -0.847 41.255 42.059 0.073 0.000 0.898 225 L HN 0.067 nan 8.230 nan 0.000 0.435 226 Y N 1.222 121.525 120.300 0.004 0.000 2.219 226 Y HA -0.379 4.172 4.550 0.001 0.000 0.283 226 Y C 2.504 178.395 175.900 -0.015 0.000 1.191 226 Y CA 1.853 59.953 58.100 -0.001 0.000 1.199 226 Y CB -0.031 38.433 38.460 0.006 0.000 0.972 226 Y HN 0.092 nan 8.280 nan 0.000 0.527 227 K N -0.713 119.803 120.400 0.194 0.000 2.021 227 K HA -0.022 4.299 4.320 0.002 0.000 0.205 227 K C 2.436 179.040 176.600 0.007 0.000 1.047 227 K CA 0.771 57.120 56.287 0.102 0.000 0.943 227 K CB -0.435 32.111 32.500 0.077 0.000 0.725 227 K HN 0.296 nan 8.250 nan 0.000 0.439 228 A N 1.933 124.753 122.820 -0.001 0.000 1.849 228 A HA -0.146 4.175 4.320 0.002 0.000 0.217 228 A C 1.696 179.241 177.584 -0.065 0.000 1.202 228 A CA 1.414 53.430 52.037 -0.035 0.000 0.629 228 A CB -0.962 18.025 19.000 -0.022 0.000 0.834 228 A HN 0.226 nan 8.150 nan 0.000 0.447 229 L N -0.448 120.734 121.223 -0.069 0.000 2.855 229 L HA 0.112 4.453 4.340 0.002 0.000 0.245 229 L C 0.318 177.096 176.870 -0.153 0.000 1.276 229 L CA -0.430 54.349 54.840 -0.101 0.000 1.118 229 L CB -0.597 41.406 42.059 -0.094 0.000 1.444 229 L HN 0.256 nan 8.230 nan 0.000 0.440 230 R N 0.234 120.644 120.500 -0.150 0.000 2.719 230 R HA -0.211 4.130 4.340 0.002 0.000 0.213 230 R C 0.487 176.611 176.300 -0.294 0.000 0.770 230 R CA 0.732 56.720 56.100 -0.185 0.000 0.522 230 R CB -1.689 28.525 30.300 -0.143 0.000 1.198 230 R HN 0.473 nan 8.270 nan 0.000 0.516 231 M N -0.742 118.571 119.600 -0.479 0.000 1.887 231 M HA 0.050 4.531 4.480 0.002 0.000 0.205 231 M C 1.898 177.815 176.300 -0.638 0.000 1.315 231 M CA 1.447 56.391 55.300 -0.594 0.000 0.919 231 M CB 0.003 32.139 32.600 -0.773 0.000 1.230 231 M HN 0.491 nan 8.290 nan 0.000 0.381 232 G N 1.232 109.780 108.800 -0.420 0.000 2.212 232 G HA2 -0.287 3.674 3.960 0.002 0.000 0.267 232 G HA3 -0.287 3.674 3.960 0.002 0.000 0.267 232 G C -0.258 174.577 174.900 -0.107 0.000 1.002 232 G CA 0.831 45.834 45.100 -0.161 0.000 0.729 232 G HN 0.810 nan 8.290 nan 0.000 0.517 233 N N -0.493 118.121 118.700 -0.142 0.000 2.609 233 N HA 0.341 5.082 4.740 0.002 0.000 0.268 233 N C 0.965 176.414 175.510 -0.101 0.000 1.106 233 N CA -0.400 52.587 53.050 -0.104 0.000 0.823 233 N CB 0.690 39.106 38.487 -0.117 0.000 1.263 233 N HN 0.102 nan 8.380 nan 0.000 0.533 234 I N 1.648 122.173 120.570 -0.074 0.000 2.315 234 I HA -0.186 3.985 4.170 0.002 0.000 0.251 234 I C 1.409 177.476 176.117 -0.084 0.000 1.125 234 I CA 1.284 62.543 61.300 -0.067 0.000 1.392 234 I CB 0.260 38.229 38.000 -0.052 0.000 1.065 234 I HN 0.651 nan 8.210 nan 0.000 0.424 235 E N -0.409 119.733 120.200 -0.098 0.000 2.482 235 E HA -0.181 4.170 4.350 0.002 0.000 0.200 235 E C 1.382 177.909 176.600 -0.122 0.000 1.147 235 E CA 0.672 56.997 56.400 -0.125 0.000 0.912 235 E CB 0.031 29.657 29.700 -0.123 0.000 0.938 235 E HN 0.375 nan 8.360 nan 0.000 0.519 236 T N -1.998 112.492 114.554 -0.107 0.000 2.955 236 T HA 0.064 4.415 4.350 0.002 0.000 0.251 236 T C 1.470 176.121 174.700 -0.083 0.000 1.002 236 T CA 0.158 62.200 62.100 -0.097 0.000 0.970 236 T CB 0.369 69.166 68.868 -0.117 0.000 1.091 236 T HN 0.037 nan 8.240 nan 0.000 0.495 237 V N 2.155 122.018 119.914 -0.084 0.000 2.490 237 V HA -0.061 4.060 4.120 0.002 0.000 0.250 237 V C 2.410 178.479 176.094 -0.042 0.000 1.061 237 V CA 1.437 63.696 62.300 -0.068 0.000 1.064 237 V CB -0.561 31.239 31.823 -0.039 0.000 0.670 237 V HN 0.389 nan 8.190 nan 0.000 0.461 238 L N 0.200 121.389 121.223 -0.056 0.000 1.988 238 L HA -0.117 4.224 4.340 0.002 0.000 0.207 238 L C 2.608 179.486 176.870 0.013 0.000 1.071 238 L CA 2.246 57.052 54.840 -0.058 0.000 0.744 238 L CB -0.774 41.169 42.059 -0.194 0.000 0.893 238 L HN 0.282 nan 8.230 nan 0.000 0.433 239 S N -0.467 115.250 115.700 0.029 0.000 2.387 239 S HA -0.234 4.237 4.470 0.002 0.000 0.230 239 S C 2.039 176.788 174.600 0.248 0.000 1.035 239 S CA 1.597 59.898 58.200 0.169 0.000 1.014 239 S CB -0.686 62.560 63.200 0.077 0.000 0.836 239 S HN 0.786 nan 8.310 nan 0.000 0.466 240 S N 1.319 117.069 115.700 0.083 0.000 2.377 240 S HA 0.021 4.492 4.470 0.002 0.000 0.223 240 S C 1.997 176.577 174.600 -0.033 0.000 1.030 240 S CA 0.966 59.170 58.200 0.006 0.000 0.970 240 S CB -0.602 62.561 63.200 -0.061 0.000 0.830 240 S HN 0.351 nan 8.310 nan 0.000 0.473 241 S N 2.385 118.086 115.700 0.001 0.000 2.353 241 S HA 0.007 4.478 4.470 0.002 0.000 0.222 241 S C 1.818 176.454 174.600 0.060 0.000 1.035 241 S CA 1.596 59.809 58.200 0.022 0.000 1.025 241 S CB -0.689 62.536 63.200 0.041 0.000 0.902 241 S HN 0.488 nan 8.310 nan 0.000 0.440 242 I N 1.710 122.364 120.570 0.139 0.000 2.194 242 I HA -0.305 3.866 4.170 0.002 0.000 0.246 242 I C 2.673 178.922 176.117 0.221 0.000 1.093 242 I CA 1.267 62.744 61.300 0.295 0.000 1.355 242 I CB -0.531 37.686 38.000 0.362 0.000 1.046 242 I HN 0.294 nan 8.210 nan 0.000 0.413 243 A N 0.462 123.240 122.820 -0.071 0.000 1.978 243 A HA -0.171 4.150 4.320 0.002 0.000 0.220 243 A C 2.476 179.686 177.584 -0.623 0.000 1.170 243 A CA 1.953 53.648 52.037 -0.571 0.000 0.636 243 A CB -0.650 17.806 19.000 -0.907 0.000 0.810 243 A HN 0.481 nan 8.150 nan 0.000 0.448 244 A N -0.884 121.790 122.820 -0.242 0.000 1.874 244 A HA 0.117 4.438 4.320 0.002 0.000 0.214 244 A C 2.185 179.758 177.584 -0.018 0.000 1.189 244 A CA 1.365 53.350 52.037 -0.087 0.000 0.615 244 A CB -0.886 18.107 19.000 -0.012 0.000 0.830 244 A HN 0.334 nan 8.150 nan 0.000 0.443 245 V N 0.115 120.036 119.914 0.011 0.000 2.332 245 V HA -0.284 3.837 4.120 0.002 0.000 0.248 245 V C 2.443 178.569 176.094 0.053 0.000 1.055 245 V CA 2.378 64.692 62.300 0.022 0.000 1.038 245 V CB -1.047 30.803 31.823 0.045 0.000 0.651 245 V HN 0.798 nan 8.190 nan 0.000 0.450 246 F N -0.423 119.595 119.950 0.114 0.000 2.456 246 F HA -0.001 4.526 4.527 0.002 0.000 0.298 246 F C 1.913 177.868 175.800 0.260 0.000 1.104 246 F CA 0.819 58.899 58.000 0.133 0.000 1.435 246 F CB -1.001 38.179 39.000 0.299 0.000 1.078 246 F HN 0.179 nan 8.300 nan 0.000 0.546 247 F N 2.100 121.929 119.950 -0.203 0.000 2.128 247 F HA 0.112 4.640 4.527 0.002 0.000 0.295 247 F C 2.315 178.168 175.800 0.089 0.000 1.100 247 F CA 1.203 59.168 58.000 -0.058 0.000 1.260 247 F CB -1.092 37.749 39.000 -0.265 0.000 1.009 247 F HN 0.054 nan 8.300 nan 0.000 0.476 248 A N 0.949 123.634 122.820 -0.226 0.000 1.892 248 A HA -0.126 4.195 4.320 0.002 0.000 0.218 248 A C 2.497 179.990 177.584 -0.152 0.000 1.188 248 A CA 2.382 54.245 52.037 -0.290 0.000 0.631 248 A CB -1.683 17.243 19.000 -0.123 0.000 0.822 248 A HN 0.576 nan 8.150 nan 0.000 0.447 249 A N -1.224 121.573 122.820 -0.038 0.000 1.865 249 A HA -0.068 4.253 4.320 0.002 0.000 0.217 249 A C 1.946 179.543 177.584 0.022 0.000 1.191 249 A CA 1.694 53.725 52.037 -0.010 0.000 0.623 249 A CB -0.867 18.095 19.000 -0.063 0.000 0.826 249 A HN 0.464 nan 8.150 nan 0.000 0.444 250 F N -0.083 119.933 119.950 0.110 0.000 2.250 250 F HA -0.146 4.382 4.527 0.002 0.000 0.301 250 F C 2.349 178.179 175.800 0.050 0.000 1.077 250 F CA 1.344 59.415 58.000 0.117 0.000 1.348 250 F CB -0.295 38.832 39.000 0.212 0.000 1.040 250 F HN 0.036 nan 8.300 nan 0.000 0.509 251 V N -0.465 119.513 119.914 0.106 0.000 2.346 251 V HA -0.207 3.914 4.120 0.002 0.000 0.244 251 V C 2.412 178.526 176.094 0.035 0.000 1.037 251 V CA 1.483 63.784 62.300 0.002 0.000 1.029 251 V CB -0.817 30.864 31.823 -0.236 0.000 0.663 251 V HN 0.257 nan 8.190 nan 0.000 0.454 252 V N -0.367 119.559 119.914 0.021 0.000 2.490 252 V HA -0.143 3.978 4.120 0.002 0.000 0.250 252 V C 2.491 178.681 176.094 0.160 0.000 1.061 252 V CA 1.840 64.176 62.300 0.060 0.000 1.064 252 V CB -1.546 30.325 31.823 0.079 0.000 0.670 252 V HN 0.388 nan 8.190 nan 0.000 0.461 253 A N 1.297 124.228 122.820 0.184 0.000 1.969 253 A HA 0.122 4.443 4.320 0.002 0.000 0.218 253 A C 2.337 180.040 177.584 0.199 0.000 1.169 253 A CA 1.733 53.900 52.037 0.216 0.000 0.635 253 A CB -1.220 17.865 19.000 0.141 0.000 0.810 253 A HN 0.642 nan 8.150 nan 0.000 0.445 254 G N -0.564 108.364 108.800 0.214 0.000 2.396 254 G HA2 -0.098 3.863 3.960 0.002 0.000 0.214 254 G HA3 -0.098 3.863 3.960 0.002 0.000 0.214 254 G C 1.699 176.791 174.900 0.321 0.000 1.166 254 G CA 1.737 47.020 45.100 0.305 0.000 0.793 254 G HN 0.660 nan 8.290 nan 0.000 0.533 255 T N -1.561 113.095 114.554 0.171 0.000 2.995 255 T HA 0.006 4.357 4.350 0.002 0.000 0.269 255 T C 2.221 176.940 174.700 0.032 0.000 1.091 255 T CA 1.414 63.565 62.100 0.085 0.000 1.128 255 T CB -0.092 68.761 68.868 -0.025 0.000 0.891 255 T HN 0.116 nan 8.240 nan 0.000 0.492 256 M N -0.197 119.419 119.600 0.028 0.000 2.236 256 M HA 0.266 4.747 4.480 0.002 0.000 0.266 256 M C 1.944 178.293 176.300 0.081 0.000 1.070 256 M CA 0.858 56.123 55.300 -0.059 0.000 1.137 256 M CB -0.692 31.879 32.600 -0.048 0.000 1.378 256 M HN 0.490 nan 8.290 nan 0.000 0.426 257 W N -0.437 120.806 121.300 -0.096 0.000 2.443 257 W HA -0.198 4.463 4.660 0.002 0.000 0.296 257 W C 1.058 177.521 176.519 -0.093 0.000 1.202 257 W CA 1.156 58.405 57.345 -0.160 0.000 1.312 257 W CB -0.133 29.137 29.460 -0.316 0.000 1.120 257 W HN 0.218 nan 8.180 nan 0.000 0.536 258 Y N 0.419 120.831 120.300 0.187 0.000 2.517 258 Y HA 0.289 4.840 4.550 0.002 0.000 0.281 258 Y C 1.354 177.288 175.900 0.057 0.000 1.125 258 Y CA 1.060 59.191 58.100 0.053 0.000 1.283 258 Y CB -0.641 37.814 38.460 -0.007 0.000 1.042 258 Y HN -0.037 nan 8.280 nan 0.000 0.547 259 G N 0.565 109.468 108.800 0.172 0.000 2.721 259 G HA2 0.202 4.163 3.960 0.002 0.000 0.686 259 G HA3 0.202 4.163 3.960 0.002 0.000 0.686 259 G C -0.419 174.588 174.900 0.178 0.000 1.236 259 G CA -0.376 44.826 45.100 0.170 0.000 0.786 259 G HN 0.796 nan 8.290 nan 0.000 0.616 260 S N -0.493 115.276 115.700 0.116 0.000 2.627 260 S HA 0.875 5.346 4.470 0.002 0.000 0.268 260 S C 1.128 175.764 174.600 0.059 0.000 1.130 260 S CA 0.481 58.619 58.200 -0.102 0.000 0.819 260 S CB 0.935 63.998 63.200 -0.229 0.000 1.100 260 S HN 2.515 nan 8.310 nan 0.000 0.465 261 A N 0.588 123.427 122.820 0.032 0.000 2.234 261 A HA 0.126 4.447 4.320 0.002 0.000 0.216 261 A C 1.781 179.403 177.584 0.065 0.000 1.167 261 A CA 2.060 54.141 52.037 0.074 0.000 0.698 261 A CB -1.265 17.755 19.000 0.034 0.000 0.779 261 A HN 0.873 nan 8.150 nan 0.000 0.475 262 T N -0.526 114.037 114.554 0.016 0.000 3.051 262 T HA 0.051 4.402 4.350 0.002 0.000 0.255 262 T C 0.885 175.589 174.700 0.006 0.000 1.085 262 T CA 1.396 63.506 62.100 0.017 0.000 1.109 262 T CB -0.080 68.773 68.868 -0.025 0.000 0.921 262 T HN 0.644 nan 8.240 nan 0.000 0.488 263 T N 2.024 116.563 114.554 -0.026 0.000 3.390 263 T HA 0.414 4.765 4.350 0.002 0.000 0.351 263 T C -3.044 171.730 174.700 0.122 0.000 1.759 263 T CA -1.846 60.209 62.100 -0.075 0.000 1.561 263 T CB 1.027 69.690 68.868 -0.342 0.000 1.011 263 T HN 0.007 nan 8.240 nan 0.000 0.689 264 P HA 0.218 nan 4.420 nan 0.000 0.276 264 P C 1.626 178.958 177.300 0.053 0.000 1.230 264 P CA -0.694 62.483 63.100 0.129 0.000 0.776 264 P CB 1.142 32.949 31.700 0.177 0.000 0.888 265 I N 0.857 121.443 120.570 0.028 0.000 2.335 265 I HA -0.208 3.963 4.170 0.002 0.000 0.251 265 I C 1.282 177.348 176.117 -0.085 0.000 1.129 265 I CA 1.394 62.655 61.300 -0.065 0.000 1.402 265 I CB -0.775 37.199 38.000 -0.043 0.000 1.069 265 I HN 0.254 nan 8.210 nan 0.000 0.424 266 E N 1.030 121.277 120.200 0.077 0.000 2.516 266 E HA -0.006 4.345 4.350 0.002 0.000 0.199 266 E C 1.751 178.325 176.600 -0.043 0.000 1.069 266 E CA 0.706 57.221 56.400 0.192 0.000 0.876 266 E CB 0.111 30.032 29.700 0.368 0.000 0.843 266 E HN 0.663 nan 8.360 nan 0.000 0.530 267 L N -2.014 119.020 121.223 -0.314 0.000 2.766 267 L HA 0.168 4.509 4.340 0.002 0.000 0.241 267 L C 1.075 177.527 176.870 -0.696 0.000 1.080 267 L CA 0.044 54.527 54.840 -0.596 0.000 0.909 267 L CB 0.414 41.861 42.059 -1.020 0.000 1.277 267 L HN 0.026 nan 8.230 nan 0.000 0.510 268 F N 0.160 119.955 119.950 -0.258 0.000 2.784 268 F HA 0.535 5.063 4.527 0.002 0.000 0.323 268 F C 1.199 176.804 175.800 -0.324 0.000 1.085 268 F CA 0.135 58.011 58.000 -0.206 0.000 1.196 268 F CB 0.874 39.732 39.000 -0.237 0.000 1.053 268 F HN 0.013 nan 8.300 nan 0.000 0.578 269 G N 0.484 108.894 108.800 -0.649 0.000 2.612 269 G HA2 -0.058 3.903 3.960 0.002 0.000 0.686 269 G HA3 -0.058 3.903 3.960 0.002 0.000 0.686 269 G C -3.022 171.499 174.900 -0.631 0.000 1.274 269 G CA -1.493 42.846 45.100 -1.268 0.000 0.849 269 G HN -0.136 nan 8.290 nan 0.000 0.595 270 P HA 0.396 nan 4.420 nan 0.000 0.274 270 P C 0.353 177.527 177.300 -0.210 0.000 1.264 270 P CA 0.172 63.153 63.100 -0.197 0.000 0.795 270 P CB 0.486 32.135 31.700 -0.085 0.000 1.064 271 T N -0.386 114.087 114.554 -0.134 0.000 2.918 271 T HA 0.226 4.577 4.350 0.002 0.000 0.286 271 T C 1.306 175.817 174.700 -0.314 0.000 1.026 271 T CA -0.501 61.441 62.100 -0.264 0.000 1.031 271 T CB 0.907 69.692 68.868 -0.138 0.000 1.046 271 T HN 0.355 nan 8.240 nan 0.000 0.479 272 R N 1.052 121.157 120.500 -0.657 0.000 2.148 272 R HA -0.073 4.268 4.340 0.002 0.000 0.227 272 R C 0.974 177.010 176.300 -0.440 0.000 1.103 272 R CA 1.772 57.509 56.100 -0.604 0.000 0.983 272 R CB -0.573 29.205 30.300 -0.869 0.000 0.874 272 R HN 0.586 nan 8.270 nan 0.000 0.451 273 Y N 1.440 121.634 120.300 -0.176 0.000 2.457 273 Y HA 0.042 4.593 4.550 0.002 0.000 0.292 273 Y C 2.206 178.074 175.900 -0.053 0.000 1.125 273 Y CA 0.845 58.892 58.100 -0.089 0.000 1.254 273 Y CB -0.143 38.256 38.460 -0.101 0.000 1.012 273 Y HN 0.159 nan 8.280 nan 0.000 0.555 274 Q N -0.968 118.882 119.800 0.084 0.000 2.123 274 Q HA -0.207 4.134 4.340 0.002 0.000 0.199 274 Q C 2.081 178.246 176.000 0.275 0.000 0.966 274 Q CA 1.293 57.182 55.803 0.144 0.000 0.845 274 Q CB -0.528 28.377 28.738 0.279 0.000 0.907 274 Q HN 0.677 nan 8.270 nan 0.000 0.439 275 W N 2.331 123.689 121.300 0.097 0.000 2.381 275 W HA -0.165 4.496 4.660 0.002 0.000 0.301 275 W C 0.674 177.226 176.519 0.054 0.000 1.205 275 W CA 1.334 58.730 57.345 0.085 0.000 1.285 275 W CB -0.001 29.447 29.460 -0.019 0.000 1.133 275 W HN 0.167 nan 8.180 nan 0.000 0.521 276 D N 0.480 120.907 120.400 0.045 0.000 2.104 276 D HA -0.190 4.451 4.640 0.002 0.000 0.194 276 D C 2.151 178.412 176.300 -0.066 0.000 0.994 276 D CA 2.526 56.516 54.000 -0.018 0.000 0.830 276 D CB -0.776 40.063 40.800 0.064 0.000 0.959 276 D HN 0.194 nan 8.370 nan 0.000 0.452 277 S N -0.636 115.060 115.700 -0.007 0.000 2.634 277 S HA 0.139 4.610 4.470 0.002 0.000 0.221 277 S C 0.592 175.185 174.600 -0.011 0.000 0.952 277 S CA -0.026 58.172 58.200 -0.003 0.000 0.930 277 S CB 0.193 63.408 63.200 0.024 0.000 0.780 277 S HN 0.015 nan 8.310 nan 0.000 0.498 278 S N 0.548 116.196 115.700 -0.087 0.000 3.581 278 S HA -0.247 4.224 4.470 0.002 0.000 0.354 278 S C 0.508 175.153 174.600 0.076 0.000 1.059 278 S CA 0.791 58.938 58.200 -0.089 0.000 1.060 278 S CB -2.314 60.813 63.200 -0.121 0.000 0.908 278 S HN 0.771 nan 8.310 nan 0.000 0.475 279 Y N 1.463 121.753 120.300 -0.017 0.000 1.977 279 Y HA -0.295 4.256 4.550 0.002 0.000 0.264 279 Y C 1.601 177.487 175.900 -0.023 0.000 1.167 279 Y CA 2.314 60.371 58.100 -0.071 0.000 1.102 279 Y CB -0.897 37.440 38.460 -0.205 0.000 0.948 279 Y HN 0.442 nan 8.280 nan 0.000 0.489 280 F N 0.429 120.414 119.950 0.057 0.000 2.365 280 F HA -0.176 4.352 4.527 0.002 0.000 0.300 280 F C 2.701 178.484 175.800 -0.029 0.000 1.090 280 F CA 1.530 59.505 58.000 -0.042 0.000 1.408 280 F CB -0.711 38.380 39.000 0.152 0.000 1.060 280 F HN 0.257 nan 8.300 nan 0.000 0.534 281 Q N 0.550 120.461 119.800 0.185 0.000 2.119 281 Q HA -0.229 4.112 4.340 0.002 0.000 0.201 281 Q C 1.961 177.987 176.000 0.044 0.000 0.972 281 Q CA 1.642 57.524 55.803 0.132 0.000 0.847 281 Q CB -0.121 28.666 28.738 0.081 0.000 0.903 281 Q HN 0.493 nan 8.270 nan 0.000 0.433 282 Q N -0.127 119.660 119.800 -0.022 0.000 2.123 282 Q HA -0.181 4.160 4.340 0.002 0.000 0.199 282 Q C 1.900 177.817 176.000 -0.139 0.000 0.966 282 Q CA 1.284 57.047 55.803 -0.066 0.000 0.845 282 Q CB 0.015 28.720 28.738 -0.055 0.000 0.907 282 Q HN 0.288 nan 8.270 nan 0.000 0.439 283 E N 1.277 121.326 120.200 -0.252 0.000 2.110 283 E HA -0.141 4.210 4.350 0.002 0.000 0.193 283 E C 1.607 178.031 176.600 -0.293 0.000 0.988 283 E CA 1.050 57.196 56.400 -0.423 0.000 0.804 283 E CB -0.132 28.956 29.700 -1.020 0.000 0.745 283 E HN 0.339 nan 8.360 nan 0.000 0.458 284 I N 0.429 120.901 120.570 -0.164 0.000 2.110 284 I HA -0.279 3.892 4.170 0.002 0.000 0.236 284 I C 2.257 178.259 176.117 -0.192 0.000 1.068 284 I CA 1.059 62.293 61.300 -0.110 0.000 1.333 284 I CB -0.545 37.501 38.000 0.075 0.000 1.054 284 I HN 0.146 nan 8.210 nan 0.000 0.402 285 N N 0.956 119.579 118.700 -0.128 0.000 2.021 285 N HA -0.272 4.469 4.740 0.002 0.000 0.198 285 N C 1.976 177.368 175.510 -0.196 0.000 1.041 285 N CA 1.617 54.567 53.050 -0.167 0.000 0.862 285 N CB -0.491 37.957 38.487 -0.065 0.000 1.048 285 N HN 0.281 nan 8.380 nan 0.000 0.427 286 R N 1.159 121.565 120.500 -0.157 0.000 2.134 286 R HA -0.150 4.191 4.340 0.002 0.000 0.248 286 R C 2.260 178.459 176.300 -0.168 0.000 1.143 286 R CA 1.627 57.640 56.100 -0.145 0.000 0.957 286 R CB -0.049 30.168 30.300 -0.138 0.000 0.867 286 R HN 0.303 nan 8.270 nan 0.000 0.441 287 R N -0.593 119.787 120.500 -0.201 0.000 2.075 287 R HA -0.068 4.273 4.340 0.002 0.000 0.232 287 R C 2.351 178.500 176.300 -0.252 0.000 1.126 287 R CA 1.438 57.418 56.100 -0.199 0.000 0.963 287 R CB -0.301 29.884 30.300 -0.193 0.000 0.858 287 R HN 0.119 nan 8.270 nan 0.000 0.435 288 V N 1.395 121.081 119.914 -0.380 0.000 2.295 288 V HA -0.241 3.880 4.120 0.002 0.000 0.246 288 V C 2.373 178.250 176.094 -0.361 0.000 1.049 288 V CA 1.645 63.624 62.300 -0.536 0.000 1.024 288 V CB -0.420 30.774 31.823 -1.047 0.000 0.648 288 V HN 0.308 nan 8.190 nan 0.000 0.447 289 Q N -0.340 119.298 119.800 -0.270 0.000 2.226 289 Q HA -0.098 4.243 4.340 0.002 0.000 0.204 289 Q C 2.370 178.286 176.000 -0.139 0.000 0.975 289 Q CA 1.678 57.375 55.803 -0.176 0.000 0.866 289 Q CB -0.615 28.046 28.738 -0.129 0.000 0.915 289 Q HN 0.673 nan 8.270 nan 0.000 0.440 290 A N 0.454 123.189 122.820 -0.142 0.000 1.873 290 A HA -0.129 4.192 4.320 0.002 0.000 0.215 290 A C 2.471 179.994 177.584 -0.102 0.000 1.186 290 A CA 1.692 53.664 52.037 -0.107 0.000 0.616 290 A CB -0.550 18.389 19.000 -0.102 0.000 0.823 290 A HN 0.314 nan 8.150 nan 0.000 0.442 291 S N -0.023 115.601 115.700 -0.127 0.000 2.383 291 S HA -0.104 4.367 4.470 0.002 0.000 0.229 291 S C 1.781 176.322 174.600 -0.098 0.000 1.030 291 S CA 1.428 59.563 58.200 -0.108 0.000 1.002 291 S CB -0.461 62.661 63.200 -0.129 0.000 0.829 291 S HN 0.495 nan 8.310 nan 0.000 0.467 292 L N 0.845 121.997 121.223 -0.119 0.000 2.141 292 L HA -0.110 4.231 4.340 0.002 0.000 0.209 292 L C 2.732 179.561 176.870 -0.068 0.000 1.094 292 L CA 1.026 55.809 54.840 -0.095 0.000 0.763 292 L CB -0.699 41.295 42.059 -0.107 0.000 0.908 292 L HN 0.328 nan 8.230 nan 0.000 0.437 293 A N 0.247 123.026 122.820 -0.068 0.000 1.873 293 A HA -0.174 4.147 4.320 0.002 0.000 0.215 293 A C 2.209 179.768 177.584 -0.042 0.000 1.186 293 A CA 1.651 53.657 52.037 -0.051 0.000 0.616 293 A CB -0.632 18.338 19.000 -0.051 0.000 0.823 293 A HN 0.482 nan 8.150 nan 0.000 0.442 294 S N -0.398 115.275 115.700 -0.044 0.000 2.906 294 S HA 0.371 4.842 4.470 0.002 0.000 0.234 294 S C 1.064 175.645 174.600 -0.031 0.000 0.973 294 S CA 0.570 58.749 58.200 -0.035 0.000 1.036 294 S CB -1.284 61.895 63.200 -0.035 0.000 0.798 294 S HN 1.900 nan 8.310 nan 0.000 0.498 295 G N 0.338 109.118 108.800 -0.033 0.000 2.371 295 G HA2 -0.021 3.940 3.960 0.002 0.000 0.299 295 G HA3 -0.021 3.940 3.960 0.002 0.000 0.299 295 G C 0.244 175.128 174.900 -0.027 0.000 1.014 295 G CA 0.047 45.130 45.100 -0.028 0.000 1.097 295 G HN 1.232 nan 8.290 nan 0.000 0.512 296 A N -0.398 122.400 122.820 -0.036 0.000 2.263 296 A HA 1.010 5.332 4.320 0.002 0.000 0.318 296 A C 0.820 178.386 177.584 -0.031 0.000 1.111 296 A CA 0.507 52.526 52.037 -0.031 0.000 0.901 296 A CB 0.886 19.863 19.000 -0.039 0.000 1.280 296 A HN 1.646 nan 8.150 nan 0.000 0.503 297 T N -2.060 112.484 114.554 -0.017 0.000 2.936 297 T HA 0.441 4.792 4.350 0.002 0.000 0.282 297 T C 0.892 175.576 174.700 -0.026 0.000 1.003 297 T CA -0.484 61.608 62.100 -0.012 0.000 1.005 297 T CB 0.768 69.647 68.868 0.018 0.000 1.097 297 T HN 0.452 nan 8.240 nan 0.000 0.532 298 L N 0.721 121.910 121.223 -0.056 0.000 2.042 298 L HA -0.026 4.315 4.340 0.002 0.000 0.210 298 L C 2.609 179.512 176.870 0.056 0.000 1.076 298 L CA 1.785 56.551 54.840 -0.123 0.000 0.749 298 L CB -1.103 40.694 42.059 -0.438 0.000 0.893 298 L HN 0.811 nan 8.230 nan 0.000 0.432 299 E N -0.479 119.815 120.200 0.156 0.000 2.038 299 E HA -0.274 4.077 4.350 0.002 0.000 0.195 299 E C 1.986 178.701 176.600 0.191 0.000 1.000 299 E CA 1.846 58.410 56.400 0.273 0.000 0.803 299 E CB -0.185 29.635 29.700 0.199 0.000 0.750 299 E HN 0.643 nan 8.360 nan 0.000 0.448 300 E N 0.796 121.058 120.200 0.103 0.000 2.058 300 E HA -0.195 4.156 4.350 0.002 0.000 0.194 300 E C 2.104 178.735 176.600 0.052 0.000 0.997 300 E CA 0.942 57.384 56.400 0.069 0.000 0.801 300 E CB -0.190 29.528 29.700 0.031 0.000 0.746 300 E HN 0.216 nan 8.360 nan 0.000 0.450 301 A N 1.188 124.002 122.820 -0.008 0.000 1.849 301 A HA -0.211 4.110 4.320 0.002 0.000 0.217 301 A C 1.899 179.430 177.584 -0.089 0.000 1.202 301 A CA 1.636 53.597 52.037 -0.126 0.000 0.629 301 A CB -1.344 17.487 19.000 -0.281 0.000 0.834 301 A HN 0.406 nan 8.150 nan 0.000 0.447 302 W N 0.394 121.732 121.300 0.064 0.000 2.350 302 W HA -0.117 4.544 4.660 0.002 0.000 0.289 302 W C 2.749 179.415 176.519 0.244 0.000 1.215 302 W CA 1.348 58.797 57.345 0.173 0.000 1.236 302 W CB -0.265 29.316 29.460 0.203 0.000 1.130 302 W HN 0.285 nan 8.180 nan 0.000 0.541 303 S N -0.036 115.886 115.700 0.369 0.000 2.442 303 S HA -0.136 4.335 4.470 0.002 0.000 0.236 303 S C 1.914 176.659 174.600 0.243 0.000 1.007 303 S CA 1.138 59.505 58.200 0.279 0.000 0.965 303 S CB -0.536 62.767 63.200 0.172 0.000 0.773 303 S HN 0.303 nan 8.310 nan 0.000 0.504 304 A N 1.252 124.176 122.820 0.174 0.000 2.014 304 A HA 0.142 4.463 4.320 0.002 0.000 0.218 304 A C 0.859 178.520 177.584 0.128 0.000 1.163 304 A CA 0.395 52.498 52.037 0.110 0.000 0.652 304 A CB -0.307 18.713 19.000 0.034 0.000 0.808 304 A HN 0.358 nan 8.150 nan 0.000 0.449 305 I N 2.656 123.342 120.570 0.193 0.000 2.671 305 I HA 0.051 4.222 4.170 0.002 0.000 0.285 305 I C -2.048 174.169 176.117 0.167 0.000 1.148 305 I CA -1.826 59.574 61.300 0.167 0.000 1.386 305 I CB -0.281 37.880 38.000 0.269 0.000 1.406 305 I HN 0.176 nan 8.210 nan 0.000 0.540 306 P HA 0.044 nan 4.420 nan 0.000 0.264 306 P C 0.679 178.022 177.300 0.071 0.000 1.193 306 P CA -0.027 63.139 63.100 0.109 0.000 0.763 306 P CB 0.893 32.656 31.700 0.105 0.000 0.810 307 E N 2.428 122.695 120.200 0.111 0.000 2.065 307 E HA -0.279 4.072 4.350 0.002 0.000 0.201 307 E C 1.794 178.441 176.600 0.079 0.000 1.016 307 E CA 1.829 58.282 56.400 0.089 0.000 0.818 307 E CB -0.170 29.624 29.700 0.157 0.000 0.749 307 E HN 0.484 nan 8.360 nan 0.000 0.453 308 K N 1.002 121.468 120.400 0.109 0.000 2.089 308 K HA -0.191 4.130 4.320 0.002 0.000 0.210 308 K C 2.148 178.875 176.600 0.213 0.000 1.048 308 K CA 1.119 57.493 56.287 0.145 0.000 0.926 308 K CB -0.274 32.356 32.500 0.217 0.000 0.714 308 K HN 0.080 nan 8.250 nan 0.000 0.448 309 L N 0.187 121.551 121.223 0.235 0.000 2.017 309 L HA -0.110 4.231 4.340 0.002 0.000 0.208 309 L C 2.251 179.233 176.870 0.187 0.000 1.073 309 L CA 2.123 57.137 54.840 0.290 0.000 0.745 309 L CB -1.121 41.035 42.059 0.161 0.000 0.894 309 L HN 0.408 nan 8.230 nan 0.000 0.432 310 A N -0.558 122.263 122.820 0.001 0.000 1.902 310 A HA -0.287 4.034 4.320 0.002 0.000 0.217 310 A C 2.088 179.827 177.584 0.259 0.000 1.181 310 A CA 1.461 53.433 52.037 -0.107 0.000 0.623 310 A CB -0.959 17.472 19.000 -0.948 0.000 0.818 310 A HN 0.459 nan 8.150 nan 0.000 0.443 311 F N -0.307 119.693 119.950 0.084 0.000 2.161 311 F HA -0.185 4.343 4.527 0.002 0.000 0.300 311 F C 1.949 177.700 175.800 -0.081 0.000 1.089 311 F CA 1.062 58.993 58.000 -0.114 0.000 1.282 311 F CB -0.774 37.998 39.000 -0.380 0.000 1.010 311 F HN 0.388 nan 8.300 nan 0.000 0.485 312 Y N -0.960 119.269 120.300 -0.119 0.000 2.497 312 Y HA -0.152 4.399 4.550 0.002 0.000 0.292 312 Y C 1.434 177.156 175.900 -0.297 0.000 1.137 312 Y CA 1.088 58.867 58.100 -0.534 0.000 1.285 312 Y CB -0.404 37.100 38.460 -1.594 0.000 0.991 312 Y HN -0.068 nan 8.280 nan 0.000 0.556 313 D N -0.513 119.997 120.400 0.182 0.000 2.881 313 D HA -0.020 4.621 4.640 0.002 0.000 0.240 313 D C -1.311 175.379 176.300 0.650 0.000 1.249 313 D CA 0.011 54.275 54.000 0.440 0.000 0.839 313 D CB -0.645 40.401 40.800 0.411 0.000 1.042 313 D HN 0.139 nan 8.370 nan 0.000 0.475 314 Y N 0.206 120.703 120.300 0.328 0.000 2.338 314 Y HA 0.294 4.845 4.550 0.002 0.000 0.333 314 Y C 0.522 176.350 175.900 -0.120 0.000 0.968 314 Y CA -1.488 56.768 58.100 0.260 0.000 1.123 314 Y CB 0.757 39.350 38.460 0.221 0.000 1.165 314 Y HN -0.027 nan 8.280 nan 0.000 0.452 315 I N 3.809 123.949 120.570 -0.717 0.000 2.657 315 I HA -0.151 4.020 4.170 0.002 0.000 0.261 315 I C 1.762 177.073 176.117 -1.344 0.000 1.212 315 I CA 1.859 62.284 61.300 -1.458 0.000 1.453 315 I CB -0.070 37.052 38.000 -1.463 0.000 1.092 315 I HN 0.990 nan 8.210 nan 0.000 0.452 316 G N 0.139 107.862 108.800 -1.795 0.000 2.956 316 G HA2 -0.103 3.858 3.960 0.002 0.000 0.207 316 G HA3 -0.103 3.858 3.960 0.002 0.000 0.207 316 G C 0.905 175.386 174.900 -0.698 0.000 1.162 316 G CA 0.069 44.356 45.100 -1.354 0.000 0.796 316 G HN 0.407 nan 8.290 nan 0.000 0.527 317 N N 0.178 118.511 118.700 -0.613 0.000 2.143 317 N HA 0.010 4.751 4.740 0.002 0.000 0.222 317 N C -0.279 175.061 175.510 -0.283 0.000 1.264 317 N CA -0.275 52.628 53.050 -0.245 0.000 0.897 317 N CB 0.460 38.853 38.487 -0.156 0.000 1.092 317 N HN 0.119 nan 8.380 nan 0.000 0.516 318 N N 2.704 121.135 118.700 -0.447 0.000 2.420 318 N HA 0.131 4.873 4.740 0.002 0.000 0.262 318 N C -1.874 173.428 175.510 -0.346 0.000 1.144 318 N CA -1.430 51.368 53.050 -0.420 0.000 0.952 318 N CB 1.576 39.694 38.487 -0.616 0.000 1.081 318 N HN -0.063 nan 8.380 nan 0.000 0.480 319 P HA -0.029 nan 4.420 nan 0.000 0.225 319 P C 0.410 177.665 177.300 -0.077 0.000 1.148 319 P CA 0.782 63.782 63.100 -0.165 0.000 0.779 319 P CB 0.233 31.815 31.700 -0.197 0.000 0.780 320 A N -1.633 121.093 122.820 -0.157 0.000 2.208 320 A HA -0.004 4.317 4.320 0.002 0.000 0.209 320 A C 0.993 178.476 177.584 -0.167 0.000 1.161 320 A CA 0.792 52.783 52.037 -0.078 0.000 0.782 320 A CB -0.439 18.476 19.000 -0.142 0.000 0.816 320 A HN 0.014 nan 8.150 nan 0.000 0.477 321 K N -0.171 120.075 120.400 -0.256 0.000 2.098 321 K HA 0.622 4.943 4.320 0.002 0.000 0.258 321 K C 0.324 176.823 176.600 -0.169 0.000 0.973 321 K CA 0.544 56.667 56.287 -0.272 0.000 0.898 321 K CB 1.246 33.417 32.500 -0.548 0.000 1.057 321 K HN 0.530 nan 8.250 nan 0.000 0.447 322 G N -0.599 108.148 108.800 -0.088 0.000 2.331 322 G HA2 0.307 4.268 3.960 0.002 0.000 0.402 322 G HA3 0.307 4.268 3.960 0.002 0.000 0.402 322 G C -0.940 173.902 174.900 -0.097 0.000 1.275 322 G CA -0.492 44.563 45.100 -0.074 0.000 1.003 322 G HN 0.799 nan 8.290 nan 0.000 0.500 323 G N -1.976 106.752 108.800 -0.120 0.000 2.692 323 G HA2 0.666 4.627 3.960 0.002 0.000 0.291 323 G HA3 0.666 4.627 3.960 0.002 0.000 0.291 323 G C 0.500 175.277 174.900 -0.204 0.000 1.423 323 G CA 0.310 45.334 45.100 -0.125 0.000 0.843 323 G HN 1.547 nan 8.290 nan 0.000 0.486 324 L N -0.261 120.793 121.223 -0.282 0.000 2.141 324 L HA 0.326 4.667 4.340 0.002 0.000 0.209 324 L C 1.400 177.964 176.870 -0.509 0.000 1.094 324 L CA 1.765 56.300 54.840 -0.508 0.000 0.763 324 L CB -0.330 41.306 42.059 -0.705 0.000 0.908 324 L HN 0.461 nan 8.230 nan 0.000 0.437 325 F N -0.868 119.110 119.950 0.048 0.000 2.668 325 F HA 0.346 4.874 4.527 0.002 0.000 0.301 325 F C 0.806 176.647 175.800 0.068 0.000 1.106 325 F CA -0.367 57.669 58.000 0.060 0.000 1.289 325 F CB -0.104 38.906 39.000 0.017 0.000 1.006 325 F HN -0.237 nan 8.300 nan 0.000 0.535 326 R N 1.514 122.122 120.500 0.181 0.000 3.235 326 R HA 0.179 4.520 4.340 0.002 0.000 0.232 326 R C 0.473 176.893 176.300 0.199 0.000 1.475 326 R CA -0.165 56.025 56.100 0.149 0.000 1.405 326 R CB -0.106 30.254 30.300 0.099 0.000 1.266 326 R HN 0.179 nan 8.270 nan 0.000 0.650 327 T N -1.201 113.444 114.554 0.153 0.000 2.748 327 T HA 0.473 4.824 4.350 0.002 0.000 0.304 327 T C 0.975 175.725 174.700 0.084 0.000 1.041 327 T CA -0.006 62.151 62.100 0.095 0.000 1.033 327 T CB 1.187 70.076 68.868 0.036 0.000 0.995 327 T HN 0.661 nan 8.240 nan 0.000 0.536 328 G N 1.161 109.977 108.800 0.028 0.000 2.725 328 G HA2 -0.007 3.954 3.960 0.002 0.000 0.220 328 G HA3 -0.007 3.954 3.960 0.002 0.000 0.220 328 G C -2.695 172.270 174.900 0.108 0.000 1.357 328 G CA -0.513 44.616 45.100 0.049 0.000 0.866 328 G HN 0.893 nan 8.290 nan 0.000 0.548 329 P HA 0.274 nan 4.420 nan 0.000 0.274 329 P C 1.111 178.478 177.300 0.111 0.000 1.260 329 P CA -0.253 62.916 63.100 0.115 0.000 0.793 329 P CB 0.405 32.145 31.700 0.066 0.000 1.048 330 M N 0.002 119.670 119.600 0.112 0.000 2.476 330 M HA -0.088 4.393 4.480 0.002 0.000 0.262 330 M C 1.391 177.708 176.300 0.029 0.000 1.079 330 M CA 1.152 56.506 55.300 0.089 0.000 1.104 330 M CB -0.626 32.039 32.600 0.110 0.000 1.409 330 M HN 0.289 nan 8.290 nan 0.000 0.467 331 N N 0.568 119.278 118.700 0.015 0.000 2.396 331 N HA -0.115 4.626 4.740 0.002 0.000 0.180 331 N C 1.509 177.000 175.510 -0.031 0.000 1.028 331 N CA 0.963 54.006 53.050 -0.012 0.000 0.893 331 N CB -0.164 38.313 38.487 -0.016 0.000 0.967 331 N HN 0.190 nan 8.380 nan 0.000 0.440 332 K N 1.034 121.424 120.400 -0.017 0.000 2.486 332 K HA 0.082 4.403 4.320 0.002 0.000 0.194 332 K C 1.386 177.950 176.600 -0.059 0.000 1.033 332 K CA 0.231 56.502 56.287 -0.026 0.000 1.004 332 K CB -0.311 32.189 32.500 -0.000 0.000 0.798 332 K HN 0.130 nan 8.250 nan 0.000 0.495 333 G N 0.636 109.387 108.800 -0.082 0.000 2.672 333 G HA2 -0.127 3.834 3.960 0.002 0.000 0.200 333 G HA3 -0.127 3.834 3.960 0.002 0.000 0.200 333 G C 0.624 175.362 174.900 -0.269 0.000 1.819 333 G CA 0.457 45.462 45.100 -0.160 0.000 0.902 333 G HN 0.446 nan 8.290 nan 0.000 0.512 334 D N -0.091 120.076 120.400 -0.388 0.000 2.348 334 D HA 0.327 4.968 4.640 0.002 0.000 0.216 334 D C 1.261 177.195 176.300 -0.609 0.000 0.970 334 D CA 0.886 54.513 54.000 -0.622 0.000 0.889 334 D CB -0.241 40.018 40.800 -0.901 0.000 0.912 334 D HN 0.973 nan 8.370 nan 0.000 0.524 335 G N -0.300 108.324 108.800 -0.293 0.000 2.612 335 G HA2 -0.133 3.828 3.960 0.002 0.000 0.686 335 G HA3 -0.133 3.828 3.960 0.002 0.000 0.686 335 G C -0.703 174.279 174.900 0.137 0.000 1.274 335 G CA -0.594 44.471 45.100 -0.059 0.000 0.849 335 G HN 0.242 nan 8.290 nan 0.000 0.595 336 I N 1.615 122.266 120.570 0.136 0.000 2.581 336 I HA 0.370 4.541 4.170 0.002 0.000 0.285 336 I C 1.441 177.680 176.117 0.203 0.000 1.129 336 I CA 0.353 61.723 61.300 0.117 0.000 1.397 336 I CB 0.772 38.775 38.000 0.006 0.000 1.399 336 I HN 0.925 nan 8.210 nan 0.000 0.537 337 A N 7.259 130.188 122.820 0.180 0.000 2.524 337 A HA 0.105 4.426 4.320 0.002 0.000 0.250 337 A C 0.897 178.344 177.584 -0.228 0.000 1.078 337 A CA -0.113 51.846 52.037 -0.129 0.000 0.761 337 A CB 0.397 19.128 19.000 -0.448 0.000 1.012 337 A HN 0.785 nan 8.150 nan 0.000 0.500 338 Q N 0.765 120.432 119.800 -0.223 0.000 2.387 338 Q HA 0.419 4.760 4.340 0.002 0.000 0.212 338 Q C 0.498 176.429 176.000 -0.115 0.000 0.925 338 Q CA 1.445 57.161 55.803 -0.145 0.000 0.901 338 Q CB 0.348 29.028 28.738 -0.097 0.000 1.020 338 Q HN 1.089 nan 8.270 nan 0.000 0.545 339 A N -0.496 122.281 122.820 -0.073 0.000 2.586 339 A HA 0.415 4.736 4.320 0.002 0.000 0.291 339 A C -2.204 175.470 177.584 0.150 0.000 1.062 339 A CA -0.710 51.347 52.037 0.034 0.000 0.666 339 A CB 0.260 19.249 19.000 -0.019 0.000 1.281 339 A HN 0.175 nan 8.150 nan 0.000 0.421 340 W N 2.538 123.772 121.300 -0.110 0.000 2.387 340 W HA 0.505 5.166 4.660 0.002 0.000 0.310 340 W C 0.639 176.944 176.519 -0.355 0.000 1.181 340 W CA -0.694 56.353 57.345 -0.498 0.000 1.333 340 W CB 1.035 30.282 29.460 -0.355 0.000 1.286 340 W HN 0.803 nan 8.180 nan 0.000 0.455 341 K N 4.106 124.217 120.400 -0.481 0.000 2.211 341 K HA 0.122 4.443 4.320 0.002 0.000 0.204 341 K C 0.997 177.120 176.600 -0.796 0.000 1.047 341 K CA 1.328 57.293 56.287 -0.537 0.000 0.935 341 K CB -0.258 32.003 32.500 -0.399 0.000 0.728 341 K HN 0.731 nan 8.250 nan 0.000 0.452 342 G N 0.107 108.068 108.800 -1.399 0.000 2.440 342 G HA2 -0.183 3.778 3.960 0.002 0.000 0.684 342 G HA3 -0.183 3.778 3.960 0.002 0.000 0.684 342 G C -1.685 172.816 174.900 -0.664 0.000 1.309 342 G CA -0.864 43.343 45.100 -1.488 0.000 0.931 342 G HN 0.335 nan 8.290 nan 0.000 0.612 343 H N 0.354 119.056 119.070 -0.615 0.000 2.803 343 H HA 0.637 5.194 4.556 0.002 0.000 0.330 343 H C 0.647 175.599 175.328 -0.627 0.000 1.057 343 H CA 1.070 56.817 56.048 -0.502 0.000 1.458 343 H CB 1.029 30.018 29.762 -1.287 0.000 1.470 343 H HN 1.082 nan 8.280 nan 0.000 0.560 344 A N 5.356 127.418 122.820 -1.264 0.000 2.276 344 A HA 0.521 4.842 4.320 0.002 0.000 0.316 344 A C -0.915 175.944 177.584 -1.208 0.000 1.229 344 A CA -0.709 50.419 52.037 -1.516 0.000 0.851 344 A CB 0.571 18.758 19.000 -1.356 0.000 1.165 344 A HN 0.545 nan 8.150 nan 0.000 0.513 345 V N 3.458 122.779 119.914 -0.989 0.000 2.384 345 V HA 0.428 4.549 4.120 0.002 0.000 0.287 345 V C -0.876 174.787 176.094 -0.718 0.000 1.020 345 V CA -0.205 61.780 62.300 -0.524 0.000 0.850 345 V CB 0.774 32.546 31.823 -0.084 0.000 0.987 345 V HN 0.723 nan 8.190 nan 0.000 0.436 346 F N 4.391 124.166 119.950 -0.292 0.000 2.421 346 F HA 0.735 5.263 4.527 0.002 0.000 0.337 346 F C 0.694 176.341 175.800 -0.255 0.000 1.105 346 F CA -0.505 57.341 58.000 -0.257 0.000 1.049 346 F CB 1.406 40.259 39.000 -0.244 0.000 1.139 346 F HN 0.288 nan 8.300 nan 0.000 0.479 347 R N 1.568 122.024 120.500 -0.073 0.000 2.808 347 R HA 0.429 4.770 4.340 0.002 0.000 0.272 347 R C -1.212 175.038 176.300 -0.082 0.000 0.995 347 R CA -1.295 54.752 56.100 -0.089 0.000 0.917 347 R CB 2.290 32.542 30.300 -0.080 0.000 1.217 347 R HN 0.729 nan 8.270 nan 0.000 0.471 348 N N 0.480 119.136 118.700 -0.074 0.000 2.362 348 N HA 0.115 4.856 4.740 0.002 0.000 0.299 348 N C 0.352 175.841 175.510 -0.036 0.000 1.170 348 N CA -0.779 52.232 53.050 -0.065 0.000 0.825 348 N CB 1.488 39.936 38.487 -0.065 0.000 1.299 348 N HN 0.623 nan 8.380 nan 0.000 0.502 349 K N 0.446 120.832 120.400 -0.023 0.000 2.159 349 K HA -0.314 4.008 4.320 0.002 0.000 0.217 349 K C 0.610 177.204 176.600 -0.009 0.000 1.048 349 K CA 2.281 58.562 56.287 -0.011 0.000 0.941 349 K CB -0.436 32.063 32.500 -0.002 0.000 0.738 349 K HN 0.508 nan 8.250 nan 0.000 0.469 350 E N 0.013 120.209 120.200 -0.007 0.000 2.515 350 E HA 0.022 4.373 4.350 0.002 0.000 0.201 350 E C 1.278 177.874 176.600 -0.006 0.000 1.071 350 E CA 0.987 57.385 56.400 -0.003 0.000 0.880 350 E CB 0.036 29.738 29.700 0.003 0.000 0.828 350 E HN 0.667 nan 8.360 nan 0.000 0.540 351 G N 0.360 109.152 108.800 -0.015 0.000 2.253 351 G HA2 -0.355 3.606 3.960 0.002 0.000 0.251 351 G HA3 -0.355 3.606 3.960 0.002 0.000 0.251 351 G C 0.049 174.936 174.900 -0.021 0.000 0.998 351 G CA 0.162 45.252 45.100 -0.016 0.000 0.621 351 G HN 0.389 nan 8.290 nan 0.000 0.524 352 E N 1.281 121.470 120.200 -0.019 0.000 2.502 352 E HA 0.267 4.618 4.350 0.002 0.000 0.261 352 E C 0.474 177.039 176.600 -0.058 0.000 0.974 352 E CA 0.588 56.976 56.400 -0.020 0.000 0.936 352 E CB 0.491 30.186 29.700 -0.009 0.000 0.926 352 E HN 0.597 nan 8.360 nan 0.000 0.459 353 E N 3.912 124.065 120.200 -0.079 0.000 2.200 353 E HA 0.140 4.491 4.350 0.002 0.000 0.283 353 E C -0.831 175.559 176.600 -0.350 0.000 1.015 353 E CA -0.702 55.574 56.400 -0.206 0.000 0.819 353 E CB 0.516 30.088 29.700 -0.214 0.000 1.081 353 E HN 0.192 nan 8.360 nan 0.000 0.397 354 L N 3.936 124.933 121.223 -0.377 0.000 2.365 354 L HA 0.542 4.883 4.340 0.002 0.000 0.267 354 L C -0.420 176.073 176.870 -0.627 0.000 1.033 354 L CA -0.550 54.089 54.840 -0.335 0.000 0.802 354 L CB 0.424 42.382 42.059 -0.167 0.000 1.267 354 L HN 0.645 nan 8.230 nan 0.000 0.457 355 F N -0.640 119.336 119.950 0.043 0.000 2.569 355 F HA 0.459 4.987 4.527 0.002 0.000 0.312 355 F C -0.010 175.786 175.800 -0.006 0.000 1.109 355 F CA -0.945 57.091 58.000 0.060 0.000 0.919 355 F CB 1.785 40.829 39.000 0.073 0.000 1.211 355 F HN -0.062 nan 8.300 nan 0.000 0.446 356 V N 3.025 123.027 119.914 0.147 0.000 2.455 356 V HA 0.313 4.434 4.120 0.002 0.000 0.273 356 V C 0.315 176.490 176.094 0.134 0.000 1.045 356 V CA -0.667 61.658 62.300 0.043 0.000 0.976 356 V CB 0.703 32.488 31.823 -0.064 0.000 0.993 356 V HN 0.584 nan 8.190 nan 0.000 0.475 357 R N 5.460 126.044 120.500 0.140 0.000 2.458 357 R HA 0.126 4.467 4.340 0.002 0.000 0.303 357 R C 0.354 176.781 176.300 0.211 0.000 1.013 357 R CA 0.431 56.642 56.100 0.186 0.000 1.026 357 R CB -0.061 30.387 30.300 0.246 0.000 0.948 357 R HN 0.673 nan 8.270 nan 0.000 0.417 358 R N 3.622 124.191 120.500 0.115 0.000 2.707 358 R HA 0.125 4.466 4.340 0.002 0.000 0.270 358 R C 0.290 176.493 176.300 -0.161 0.000 1.083 358 R CA -0.394 55.767 56.100 0.102 0.000 1.182 358 R CB 0.531 30.904 30.300 0.121 0.000 1.084 358 R HN 0.601 nan 8.270 nan 0.000 0.528 359 M N 3.042 122.618 119.600 -0.040 0.000 2.105 359 M HA 0.262 4.743 4.480 0.002 0.000 0.350 359 M C -2.312 173.991 176.300 0.005 0.000 1.308 359 M CA -1.685 53.411 55.300 -0.340 0.000 1.108 359 M CB 1.212 33.830 32.600 0.030 0.000 1.622 359 M HN 0.143 nan 8.290 nan 0.000 0.468 360 P HA 0.168 nan 4.420 nan 0.000 0.276 360 P C -0.090 177.382 177.300 0.286 0.000 1.230 360 P CA -0.028 63.216 63.100 0.240 0.000 0.776 360 P CB 0.994 32.909 31.700 0.358 0.000 0.888 361 A N 3.084 126.013 122.820 0.182 0.000 1.971 361 A HA -0.266 4.055 4.320 0.002 0.000 0.222 361 A C 1.812 179.446 177.584 0.083 0.000 1.182 361 A CA 1.728 53.759 52.037 -0.010 0.000 0.649 361 A CB -1.707 17.218 19.000 -0.125 0.000 0.818 361 A HN 0.480 nan 8.150 nan 0.000 0.458 362 F N -0.975 118.994 119.950 0.033 0.000 2.154 362 F HA -0.050 4.478 4.527 0.002 0.000 0.301 362 F C 0.537 176.220 175.800 -0.195 0.000 1.087 362 F CA 0.279 58.205 58.000 -0.124 0.000 1.274 362 F CB -0.655 38.183 39.000 -0.269 0.000 1.009 362 F HN 0.141 nan 8.300 nan 0.000 0.485 363 F N 0.571 120.662 119.950 0.235 0.000 2.424 363 F HA 0.166 4.694 4.527 0.002 0.000 0.356 363 F C 1.552 177.453 175.800 0.169 0.000 1.110 363 F CA -0.593 57.523 58.000 0.194 0.000 1.161 363 F CB 0.489 39.644 39.000 0.259 0.000 1.115 363 F HN -0.190 nan 8.300 nan 0.000 0.507 364 E N 1.209 121.587 120.200 0.296 0.000 2.072 364 E HA -0.097 4.254 4.350 0.002 0.000 0.191 364 E C 0.620 177.413 176.600 0.322 0.000 0.985 364 E CA 0.924 57.472 56.400 0.246 0.000 0.801 364 E CB 0.007 29.810 29.700 0.171 0.000 0.750 364 E HN 0.537 nan 8.360 nan 0.000 0.452 365 S N -0.784 115.130 115.700 0.356 0.000 2.542 365 S HA 0.632 5.103 4.470 0.002 0.000 0.293 365 S C -0.835 174.022 174.600 0.427 0.000 1.089 365 S CA -0.909 57.502 58.200 0.352 0.000 0.961 365 S CB 1.966 65.313 63.200 0.246 0.000 1.062 365 S HN 0.054 nan 8.310 nan 0.000 0.483 366 F N 2.309 122.342 119.950 0.138 0.000 2.601 366 F HA 0.713 5.241 4.527 0.002 0.000 0.309 366 F C -2.527 173.264 175.800 -0.015 0.000 1.089 366 F CA -1.570 56.430 58.000 -0.000 0.000 0.940 366 F CB 1.905 40.880 39.000 -0.043 0.000 1.273 366 F HN 0.619 nan 8.300 nan 0.000 0.450 367 P HA 0.319 nan 4.420 nan 0.000 0.277 367 P C -1.292 175.843 177.300 -0.274 0.000 1.240 367 P CA -0.322 62.548 63.100 -0.383 0.000 0.798 367 P CB 1.752 33.191 31.700 -0.435 0.000 0.979 368 V N 3.722 123.560 119.914 -0.126 0.000 2.368 368 V HA 0.255 4.376 4.120 0.002 0.000 0.266 368 V C 0.596 176.666 176.094 -0.040 0.000 1.045 368 V CA -0.060 62.204 62.300 -0.059 0.000 0.899 368 V CB -0.208 31.570 31.823 -0.075 0.000 1.006 368 V HN 0.390 nan 8.190 nan 0.000 0.470 369 I N 6.050 126.603 120.570 -0.028 0.000 2.545 369 I HA 0.508 4.679 4.170 0.002 0.000 0.292 369 I C -0.761 175.352 176.117 -0.007 0.000 1.040 369 I CA -0.593 60.690 61.300 -0.030 0.000 1.068 369 I CB 2.350 40.303 38.000 -0.079 0.000 1.251 369 I HN 0.329 nan 8.210 nan 0.000 0.424 370 L N 5.345 126.549 121.223 -0.030 0.000 2.356 370 L HA 0.616 4.957 4.340 0.002 0.000 0.277 370 L C -0.206 176.640 176.870 -0.041 0.000 0.996 370 L CA -0.447 54.365 54.840 -0.047 0.000 0.822 370 L CB 2.141 44.124 42.059 -0.127 0.000 1.256 370 L HN 0.647 nan 8.230 nan 0.000 0.413 371 T N -2.447 112.131 114.554 0.040 0.000 2.916 371 T HA 0.557 4.908 4.350 0.002 0.000 0.292 371 T C -0.580 174.227 174.700 0.179 0.000 1.064 371 T CA -0.954 61.184 62.100 0.063 0.000 1.011 371 T CB 2.354 71.261 68.868 0.065 0.000 1.152 371 T HN 0.531 nan 8.240 nan 0.000 0.510 372 D N 0.497 120.991 120.400 0.157 0.000 2.469 372 D HA 0.312 4.953 4.640 0.002 0.000 0.278 372 D C 1.290 177.785 176.300 0.325 0.000 1.231 372 D CA -0.702 53.441 54.000 0.238 0.000 1.075 372 D CB 0.362 41.238 40.800 0.126 0.000 1.121 372 D HN 0.411 nan 8.370 nan 0.000 0.571 373 K N -0.447 120.132 120.400 0.299 0.000 2.032 373 K HA -0.079 4.242 4.320 0.002 0.000 0.209 373 K C 1.291 177.920 176.600 0.048 0.000 1.048 373 K CA 1.369 57.740 56.287 0.141 0.000 0.927 373 K CB -0.661 31.918 32.500 0.132 0.000 0.712 373 K HN 0.479 nan 8.250 nan 0.000 0.441 374 N N -0.185 118.552 118.700 0.061 0.000 2.571 374 N HA -0.019 4.722 4.740 0.002 0.000 0.189 374 N C 0.707 176.235 175.510 0.029 0.000 1.154 374 N CA 1.000 54.070 53.050 0.034 0.000 0.907 374 N CB 0.221 38.729 38.487 0.036 0.000 0.977 374 N HN 0.404 nan 8.380 nan 0.000 0.449 375 G N 0.477 109.301 108.800 0.041 0.000 2.148 375 G HA2 -0.279 3.682 3.960 0.002 0.000 0.254 375 G HA3 -0.279 3.682 3.960 0.002 0.000 0.254 375 G C 0.007 174.921 174.900 0.023 0.000 0.981 375 G CA 0.076 45.195 45.100 0.032 0.000 0.670 375 G HN 0.229 nan 8.290 nan 0.000 0.528 376 V N 1.122 121.053 119.914 0.028 0.000 2.488 376 V HA 0.371 4.492 4.120 0.002 0.000 0.277 376 V C 1.324 177.400 176.094 -0.030 0.000 1.046 376 V CA -0.595 61.710 62.300 0.007 0.000 0.986 376 V CB 1.664 33.502 31.823 0.024 0.000 0.989 376 V HN 0.266 nan 8.190 nan 0.000 0.475 377 V N 6.994 126.849 119.914 -0.098 0.000 2.450 377 V HA 0.091 4.212 4.120 0.002 0.000 0.281 377 V C 1.221 177.153 176.094 -0.269 0.000 1.019 377 V CA 0.242 62.403 62.300 -0.231 0.000 1.062 377 V CB 0.412 31.994 31.823 -0.402 0.000 0.979 377 V HN 0.888 nan 8.190 nan 0.000 0.477 378 K N 3.338 123.631 120.400 -0.178 0.000 2.350 378 K HA 0.490 4.811 4.320 0.002 0.000 0.196 378 K C 0.418 177.015 176.600 -0.006 0.000 1.084 378 K CA 0.810 57.066 56.287 -0.052 0.000 0.967 378 K CB 1.171 33.660 32.500 -0.018 0.000 0.950 378 K HN 0.706 nan 8.250 nan 0.000 0.512 379 A N 1.977 124.740 122.820 -0.095 0.000 2.609 379 A HA 0.572 4.893 4.320 0.002 0.000 0.291 379 A C -1.814 175.803 177.584 0.055 0.000 1.096 379 A CA -0.586 51.463 52.037 0.019 0.000 0.684 379 A CB 1.579 20.500 19.000 -0.131 0.000 1.282 379 A HN 0.222 nan 8.150 nan 0.000 0.412 380 D N -1.238 119.322 120.400 0.267 0.000 2.725 380 D HA 0.400 5.041 4.640 0.002 0.000 0.292 380 D C -1.347 175.110 176.300 0.261 0.000 1.288 380 D CA -0.432 53.719 54.000 0.251 0.000 0.784 380 D CB 0.297 41.148 40.800 0.084 0.000 1.308 380 D HN 0.457 nan 8.370 nan 0.000 0.429 381 I N 1.092 121.699 120.570 0.061 0.000 2.337 381 I HA 0.332 4.503 4.170 0.002 0.000 0.285 381 I C -2.014 174.112 176.117 0.015 0.000 1.041 381 I CA -1.715 59.547 61.300 -0.063 0.000 1.199 381 I CB 1.240 39.115 38.000 -0.208 0.000 1.370 381 I HN 0.234 nan 8.210 nan 0.000 0.470 382 P HA 0.027 nan 4.420 nan 0.000 0.269 382 P C 0.053 177.407 177.300 0.091 0.000 1.209 382 P CA -0.003 63.150 63.100 0.088 0.000 0.776 382 P CB 1.489 33.238 31.700 0.081 0.000 0.876 383 F N 2.252 122.197 119.950 -0.010 0.000 2.202 383 F HA 0.180 4.708 4.527 0.002 0.000 0.279 383 F C 1.414 177.209 175.800 -0.007 0.000 1.077 383 F CA 0.728 58.720 58.000 -0.014 0.000 1.193 383 F CB 0.128 39.120 39.000 -0.013 0.000 1.090 383 F HN 0.122 nan 8.300 nan 0.000 0.516 384 R N 1.222 121.860 120.500 0.230 0.000 2.210 384 R HA 0.162 4.503 4.340 0.002 0.000 0.338 384 R C 0.703 177.038 176.300 0.058 0.000 1.062 384 R CA -0.357 55.809 56.100 0.110 0.000 0.902 384 R CB 0.987 31.373 30.300 0.144 0.000 1.050 384 R HN 0.142 nan 8.270 nan 0.000 0.461 385 R N 2.133 122.639 120.500 0.010 0.000 2.189 385 R HA -0.025 4.316 4.340 0.002 0.000 0.218 385 R C 1.987 178.293 176.300 0.010 0.000 1.074 385 R CA 1.105 57.210 56.100 0.008 0.000 0.991 385 R CB -0.426 29.866 30.300 -0.012 0.000 0.883 385 R HN 0.736 nan 8.270 nan 0.000 0.457 386 A N 1.208 124.035 122.820 0.012 0.000 1.969 386 A HA -0.265 4.056 4.320 0.002 0.000 0.223 386 A C 0.964 178.552 177.584 0.007 0.000 1.218 386 A CA 2.130 54.172 52.037 0.009 0.000 0.667 386 A CB -0.239 18.771 19.000 0.016 0.000 0.826 386 A HN 0.455 nan 8.150 nan 0.000 0.472 387 E N -0.486 119.720 120.200 0.011 0.000 3.428 387 E HA 0.176 4.527 4.350 0.002 0.000 0.191 387 E C -0.497 176.097 176.600 -0.010 0.000 0.980 387 E CA 0.167 56.566 56.400 -0.002 0.000 1.305 387 E CB 0.622 30.323 29.700 0.001 0.000 1.105 387 E HN 0.545 nan 8.360 nan 0.000 0.455 388 S N 0.334 116.033 115.700 -0.001 0.000 2.533 388 S HA 0.176 4.647 4.470 0.002 0.000 0.282 388 S C 0.747 175.302 174.600 -0.074 0.000 1.304 388 S CA -0.390 57.810 58.200 -0.001 0.000 1.063 388 S CB 1.576 64.799 63.200 0.037 0.000 0.881 388 S HN 0.193 nan 8.310 nan 0.000 0.493 389 K N 1.545 121.825 120.400 -0.199 0.000 2.354 389 K HA 0.144 4.465 4.320 0.002 0.000 0.194 389 K C -0.276 176.028 176.600 -0.494 0.000 1.045 389 K CA 0.440 56.467 56.287 -0.433 0.000 1.026 389 K CB 0.172 32.249 32.500 -0.705 0.000 0.866 389 K HN 0.784 nan 8.250 nan 0.000 0.530 390 Y N 0.952 121.281 120.300 0.048 0.000 2.696 390 Y HA 0.164 4.715 4.550 0.002 0.000 0.260 390 Y C 0.307 176.272 175.900 0.108 0.000 1.165 390 Y CA -1.035 57.101 58.100 0.061 0.000 1.189 390 Y CB 0.032 38.526 38.460 0.057 0.000 1.180 390 Y HN -0.124 nan 8.280 nan 0.000 0.538 391 S N -0.714 115.107 115.700 0.201 0.000 2.558 391 S HA -0.075 4.396 4.470 0.002 0.000 0.288 391 S C 0.943 175.726 174.600 0.306 0.000 1.318 391 S CA -0.416 57.918 58.200 0.223 0.000 1.056 391 S CB 0.321 63.595 63.200 0.124 0.000 0.853 391 S HN 0.261 nan 8.310 nan 0.000 0.505 392 F N 1.680 121.664 119.950 0.056 0.000 2.192 392 F HA -0.083 4.445 4.527 0.002 0.000 0.301 392 F C 2.210 178.040 175.800 0.051 0.000 1.079 392 F CA 1.684 59.717 58.000 0.055 0.000 1.303 392 F CB -1.068 37.963 39.000 0.053 0.000 1.024 392 F HN 0.638 nan 8.300 nan 0.000 0.494 393 E N -0.136 120.204 120.200 0.234 0.000 2.028 393 E HA -0.206 4.145 4.350 0.002 0.000 0.191 393 E C 2.101 178.755 176.600 0.091 0.000 0.988 393 E CA 1.396 57.876 56.400 0.133 0.000 0.799 393 E CB -0.545 29.210 29.700 0.092 0.000 0.755 393 E HN 0.437 nan 8.360 nan 0.000 0.447 394 Q N -0.085 119.765 119.800 0.082 0.000 2.364 394 Q HA -0.108 4.234 4.340 0.002 0.000 0.209 394 Q C 1.377 177.404 176.000 0.045 0.000 0.977 394 Q CA 0.806 56.638 55.803 0.049 0.000 0.885 394 Q CB 0.160 28.916 28.738 0.029 0.000 0.941 394 Q HN 0.200 nan 8.270 nan 0.000 0.464 395 Q N -1.324 118.510 119.800 0.057 0.000 2.281 395 Q HA 0.137 4.478 4.340 0.002 0.000 0.215 395 Q C 0.864 176.865 176.000 0.002 0.000 0.867 395 Q CA 0.676 56.495 55.803 0.026 0.000 0.940 395 Q CB 1.243 29.991 28.738 0.016 0.000 1.111 395 Q HN 0.447 nan 8.270 nan 0.000 0.513 396 G N 1.522 110.335 108.800 0.021 0.000 2.249 396 G HA2 -0.270 3.691 3.960 0.002 0.000 0.273 396 G HA3 -0.270 3.691 3.960 0.002 0.000 0.273 396 G C 0.325 175.216 174.900 -0.014 0.000 1.036 396 G CA 0.381 45.491 45.100 0.016 0.000 0.824 396 G HN 0.205 nan 8.290 nan 0.000 0.504 397 V N 0.849 120.723 119.914 -0.067 0.000 2.788 397 V HA 0.491 4.612 4.120 0.002 0.000 0.307 397 V C 1.143 177.224 176.094 -0.020 0.000 1.069 397 V CA 1.006 63.207 62.300 -0.166 0.000 1.173 397 V CB 0.935 32.394 31.823 -0.606 0.000 0.925 397 V HN 1.093 nan 8.190 nan 0.000 0.492 398 T N 1.647 116.195 114.554 -0.010 0.000 2.865 398 T HA 0.734 5.085 4.350 0.002 0.000 0.294 398 T C -0.980 173.707 174.700 -0.022 0.000 1.119 398 T CA -0.760 61.359 62.100 0.032 0.000 1.007 398 T CB 1.906 70.767 68.868 -0.012 0.000 1.225 398 T HN 0.689 nan 8.240 nan 0.000 0.515 399 V N 0.615 120.494 119.914 -0.057 0.000 2.760 399 V HA 0.792 4.913 4.120 0.002 0.000 0.309 399 V C -1.134 174.752 176.094 -0.347 0.000 1.077 399 V CA -0.273 61.804 62.300 -0.372 0.000 0.910 399 V CB 2.182 33.751 31.823 -0.424 0.000 1.008 399 V HN 1.220 nan 8.190 nan 0.000 0.424 400 S N 5.439 120.785 115.700 -0.589 0.000 2.542 400 S HA 0.797 5.268 4.470 0.002 0.000 0.293 400 S C -1.191 172.880 174.600 -0.881 0.000 1.089 400 S CA -0.300 57.565 58.200 -0.557 0.000 0.961 400 S CB 1.661 64.582 63.200 -0.466 0.000 1.062 400 S HN 0.585 nan 8.310 nan 0.000 0.483 401 F N 1.325 120.795 119.950 -0.799 0.000 2.538 401 F HA 0.629 5.157 4.527 0.002 0.000 0.325 401 F C -0.897 174.303 175.800 -1.000 0.000 1.066 401 F CA -0.663 56.870 58.000 -0.778 0.000 0.946 401 F CB 1.365 40.022 39.000 -0.570 0.000 1.199 401 F HN 0.459 nan 8.300 nan 0.000 0.473 402 Y N 0.492 120.688 120.300 -0.173 0.000 2.331 402 Y HA 0.556 5.107 4.550 0.002 0.000 0.326 402 Y C 0.221 176.049 175.900 -0.120 0.000 1.020 402 Y CA -1.487 56.556 58.100 -0.095 0.000 1.136 402 Y CB 1.757 40.215 38.460 -0.002 0.000 1.157 402 Y HN 0.853 nan 8.280 nan 0.000 0.444 403 G N 1.388 110.204 108.800 0.028 0.000 2.854 403 G HA2 0.405 4.366 3.960 0.002 0.000 0.686 403 G HA3 0.405 4.366 3.960 0.002 0.000 0.686 403 G C 0.041 174.687 174.900 -0.423 0.000 1.202 403 G CA -0.070 44.998 45.100 -0.053 0.000 0.878 403 G HN 1.849 nan 8.290 nan 0.000 0.583 404 G N 1.006 109.623 108.800 -0.306 0.000 2.549 404 G HA2 0.251 4.212 3.960 0.002 0.000 0.404 404 G HA3 0.251 4.212 3.960 0.002 0.000 0.404 404 G C 0.673 175.394 174.900 -0.297 0.000 1.292 404 G CA 0.681 45.532 45.100 -0.415 0.000 0.935 404 G HN 1.207 nan 8.290 nan 0.000 0.512 405 E N -0.298 119.724 120.200 -0.298 0.000 2.033 405 E HA -0.130 4.221 4.350 0.002 0.000 0.199 405 E C 2.550 178.988 176.600 -0.271 0.000 1.011 405 E CA 1.747 58.005 56.400 -0.237 0.000 0.815 405 E CB -0.232 29.329 29.700 -0.231 0.000 0.755 405 E HN 0.509 nan 8.360 nan 0.000 0.451 406 L N 1.645 122.622 121.223 -0.409 0.000 2.645 406 L HA 0.035 4.376 4.340 0.002 0.000 0.235 406 L C 0.738 177.415 176.870 -0.323 0.000 1.150 406 L CA -0.470 54.107 54.840 -0.439 0.000 0.911 406 L CB -0.811 40.685 42.059 -0.938 0.000 1.077 406 L HN -0.004 nan 8.230 nan 0.000 0.438 407 N N 1.324 119.865 118.700 -0.266 0.000 2.292 407 N HA 0.027 4.768 4.740 0.002 0.000 0.258 407 N C 1.302 176.703 175.510 -0.182 0.000 1.261 407 N CA 1.414 54.347 53.050 -0.196 0.000 0.845 407 N CB 0.589 39.000 38.487 -0.126 0.000 1.064 407 N HN 0.316 nan 8.380 nan 0.000 0.471 408 G N 1.449 110.118 108.800 -0.217 0.000 2.205 408 G HA2 -0.296 3.665 3.960 0.002 0.000 0.261 408 G HA3 -0.296 3.665 3.960 0.002 0.000 0.261 408 G C -0.097 174.648 174.900 -0.257 0.000 0.980 408 G CA 0.584 45.565 45.100 -0.199 0.000 0.632 408 G HN 0.700 nan 8.290 nan 0.000 0.533 409 Q N 0.144 119.756 119.800 -0.312 0.000 2.205 409 Q HA 0.678 5.019 4.340 0.002 0.000 0.249 409 Q C -0.358 175.326 176.000 -0.527 0.000 0.948 409 Q CA -0.011 55.534 55.803 -0.430 0.000 0.895 409 Q CB 1.502 29.948 28.738 -0.487 0.000 1.249 409 Q HN 0.236 nan 8.270 nan 0.000 0.458 410 T N 0.851 114.992 114.554 -0.689 0.000 2.909 410 T HA 0.646 4.997 4.350 0.002 0.000 0.299 410 T C -1.307 172.930 174.700 -0.771 0.000 1.073 410 T CA -0.575 61.193 62.100 -0.554 0.000 0.999 410 T CB 0.668 69.351 68.868 -0.310 0.000 1.098 410 T HN 0.284 nan 8.240 nan 0.000 0.477 411 F N 1.178 121.124 119.950 -0.007 0.000 2.547 411 F HA 0.507 5.035 4.527 0.002 0.000 0.316 411 F C 1.251 177.084 175.800 0.055 0.000 1.121 411 F CA -0.915 57.117 58.000 0.054 0.000 0.911 411 F CB 2.316 41.409 39.000 0.154 0.000 1.179 411 F HN 0.711 nan 8.300 nan 0.000 0.443 412 T N -3.614 111.070 114.554 0.218 0.000 3.016 412 T HA 0.059 4.410 4.350 0.002 0.000 0.271 412 T C -0.124 174.668 174.700 0.153 0.000 0.968 412 T CA -0.238 61.950 62.100 0.148 0.000 0.891 412 T CB -0.209 68.703 68.868 0.074 0.000 1.149 412 T HN 0.510 nan 8.240 nan 0.000 0.524 413 D N 2.430 122.930 120.400 0.168 0.000 2.344 413 D HA 0.180 4.821 4.640 0.002 0.000 0.253 413 D C -1.854 174.531 176.300 0.140 0.000 1.255 413 D CA -1.526 52.550 54.000 0.128 0.000 0.894 413 D CB 1.650 42.512 40.800 0.103 0.000 1.067 413 D HN -0.003 nan 8.370 nan 0.000 0.492 414 P HA -0.265 nan 4.420 nan 0.000 0.223 414 P C -1.460 175.909 177.300 0.115 0.000 1.073 414 P CA 2.351 65.550 63.100 0.165 0.000 1.008 414 P CB -1.011 30.761 31.700 0.119 0.000 0.760 415 P HA -0.192 nan 4.420 nan 0.000 0.215 415 P C 1.613 178.908 177.300 -0.010 0.000 1.163 415 P CA 2.329 65.426 63.100 -0.006 0.000 0.894 415 P CB -0.751 30.940 31.700 -0.015 0.000 0.791 416 T N -1.014 113.551 114.554 0.019 0.000 2.788 416 T HA -0.099 4.252 4.350 0.002 0.000 0.268 416 T C 1.772 176.551 174.700 0.132 0.000 1.044 416 T CA 1.223 63.310 62.100 -0.023 0.000 1.139 416 T CB -0.937 67.923 68.868 -0.012 0.000 0.867 416 T HN -0.127 nan 8.240 nan 0.000 0.454 417 V N 1.520 121.597 119.914 0.271 0.000 2.295 417 V HA -0.189 3.932 4.120 0.002 0.000 0.246 417 V C 2.422 178.794 176.094 0.464 0.000 1.049 417 V CA 1.613 64.190 62.300 0.462 0.000 1.024 417 V CB -0.485 31.640 31.823 0.503 0.000 0.648 417 V HN 0.470 nan 8.190 nan 0.000 0.447 418 K N 0.178 120.691 120.400 0.187 0.000 2.097 418 K HA -0.171 4.150 4.320 0.002 0.000 0.206 418 K C 2.508 179.076 176.600 -0.053 0.000 1.049 418 K CA 1.564 57.757 56.287 -0.158 0.000 0.933 418 K CB -0.390 31.870 32.500 -0.401 0.000 0.717 418 K HN 0.448 nan 8.250 nan 0.000 0.442 419 S N 0.514 116.184 115.700 -0.049 0.000 2.359 419 S HA -0.213 4.258 4.470 0.002 0.000 0.222 419 S C 1.955 176.539 174.600 -0.027 0.000 1.038 419 S CA 1.345 59.473 58.200 -0.121 0.000 1.051 419 S CB -0.344 62.676 63.200 -0.300 0.000 0.944 419 S HN 0.295 nan 8.310 nan 0.000 0.433 420 Y N 1.784 122.178 120.300 0.158 0.000 2.224 420 Y HA 0.103 4.654 4.550 0.002 0.000 0.289 420 Y C 2.790 178.881 175.900 0.318 0.000 1.146 420 Y CA 0.573 58.837 58.100 0.274 0.000 1.182 420 Y CB -1.067 37.617 38.460 0.373 0.000 0.983 420 Y HN 0.397 nan 8.280 nan 0.000 0.524 421 A N 0.083 123.155 122.820 0.419 0.000 1.902 421 A HA -0.239 4.082 4.320 0.002 0.000 0.217 421 A C 2.242 179.833 177.584 0.010 0.000 1.181 421 A CA 1.847 53.922 52.037 0.064 0.000 0.623 421 A CB -0.673 18.390 19.000 0.105 0.000 0.818 421 A HN 0.360 nan 8.150 nan 0.000 0.443 422 R N -0.876 119.629 120.500 0.007 0.000 2.200 422 R HA -0.121 4.220 4.340 0.002 0.000 0.234 422 R C 1.682 177.939 176.300 -0.072 0.000 1.127 422 R CA 1.678 57.751 56.100 -0.044 0.000 0.989 422 R CB -0.088 30.194 30.300 -0.030 0.000 0.869 422 R HN 0.331 nan 8.270 nan 0.000 0.459 423 K N -0.909 119.537 120.400 0.076 0.000 2.202 423 K HA 0.254 4.575 4.320 0.002 0.000 0.201 423 K C 1.615 178.324 176.600 0.181 0.000 1.051 423 K CA 0.984 57.382 56.287 0.185 0.000 0.977 423 K CB -0.091 32.633 32.500 0.373 0.000 0.792 423 K HN 0.177 nan 8.250 nan 0.000 0.469 424 A N 1.044 123.988 122.820 0.207 0.000 1.986 424 A HA -0.189 4.132 4.320 0.002 0.000 0.220 424 A C 2.065 179.758 177.584 0.181 0.000 1.171 424 A CA 1.431 53.611 52.037 0.239 0.000 0.640 424 A CB -0.813 18.301 19.000 0.190 0.000 0.811 424 A HN 0.282 nan 8.150 nan 0.000 0.451 425 I N -1.448 119.115 120.570 -0.011 0.000 2.300 425 I HA -0.283 3.888 4.170 0.002 0.000 0.252 425 I C 1.323 177.509 176.117 0.115 0.000 1.119 425 I CA 1.334 62.604 61.300 -0.050 0.000 1.384 425 I CB -0.258 37.579 38.000 -0.272 0.000 1.062 425 I HN 0.369 nan 8.210 nan 0.000 0.426 426 F N 0.589 120.784 119.950 0.409 0.000 2.765 426 F HA 0.349 4.877 4.527 0.002 0.000 0.302 426 F C 1.416 177.587 175.800 0.618 0.000 1.111 426 F CA 0.348 58.593 58.000 0.408 0.000 1.359 426 F CB -0.802 38.504 39.000 0.510 0.000 1.097 426 F HN 0.134 nan 8.300 nan 0.000 0.577 427 G N -0.120 109.143 108.800 0.771 0.000 2.466 427 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 427 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 427 G C -0.618 174.658 174.900 0.626 0.000 1.237 427 G CA -1.036 44.510 45.100 0.742 0.000 0.954 427 G HN -0.018 nan 8.290 nan 0.000 0.580 428 E N 0.559 121.129 120.200 0.616 0.000 2.558 428 E HA 0.177 4.528 4.350 0.002 0.000 0.255 428 E C 0.787 177.673 176.600 0.477 0.000 0.968 428 E CA 0.371 57.087 56.400 0.528 0.000 0.939 428 E CB 0.252 30.229 29.700 0.462 0.000 0.921 428 E HN 0.469 nan 8.360 nan 0.000 0.477 429 I N 4.112 124.887 120.570 0.342 0.000 2.416 429 I HA 0.128 4.299 4.170 0.002 0.000 0.288 429 I C 0.294 176.397 176.117 -0.023 0.000 1.051 429 I CA 0.077 61.540 61.300 0.272 0.000 1.375 429 I CB 0.155 38.353 38.000 0.331 0.000 1.407 429 I HN 0.249 nan 8.210 nan 0.000 0.516 430 F N 3.736 123.708 119.950 0.038 0.000 2.618 430 F HA 0.403 4.931 4.527 0.002 0.000 0.332 430 F C 0.370 175.917 175.800 -0.422 0.000 1.061 430 F CA -0.758 57.097 58.000 -0.243 0.000 0.974 430 F CB 1.408 40.058 39.000 -0.584 0.000 1.310 430 F HN 0.361 nan 8.300 nan 0.000 0.491 431 E N 1.587 121.621 120.200 -0.277 0.000 2.073 431 E HA 0.352 4.703 4.350 0.002 0.000 0.269 431 E C -1.636 174.738 176.600 -0.375 0.000 0.917 431 E CA -0.368 55.886 56.400 -0.243 0.000 0.757 431 E CB 0.598 30.220 29.700 -0.129 0.000 1.111 431 E HN 0.316 nan 8.360 nan 0.000 0.410 432 F N 1.956 121.941 119.950 0.058 0.000 2.399 432 F HA 0.210 4.738 4.527 0.002 0.000 0.328 432 F C 0.583 176.381 175.800 -0.004 0.000 1.084 432 F CA -0.968 57.047 58.000 0.025 0.000 1.053 432 F CB 0.966 39.988 39.000 0.037 0.000 1.209 432 F HN 0.333 nan 8.300 nan 0.000 0.502 433 D N 0.426 120.931 120.400 0.176 0.000 2.443 433 D HA 0.123 4.764 4.640 0.002 0.000 0.221 433 D C 0.789 177.133 176.300 0.073 0.000 1.097 433 D CA -0.357 53.689 54.000 0.076 0.000 0.865 433 D CB 0.912 41.726 40.800 0.023 0.000 1.034 433 D HN 0.602 nan 8.370 nan 0.000 0.511 434 T N 0.669 115.257 114.554 0.057 0.000 3.067 434 T HA -0.010 4.341 4.350 0.002 0.000 0.257 434 T C 1.239 175.937 174.700 -0.003 0.000 1.105 434 T CA 0.225 62.336 62.100 0.019 0.000 1.104 434 T CB 0.098 68.970 68.868 0.007 0.000 0.925 434 T HN 0.162 nan 8.240 nan 0.000 0.498 435 E N 2.094 122.292 120.200 -0.003 0.000 1.997 435 E HA -0.100 4.251 4.350 0.002 0.000 0.201 435 E C 2.392 178.981 176.600 -0.018 0.000 1.011 435 E CA 1.853 58.246 56.400 -0.013 0.000 0.847 435 E CB -1.305 28.387 29.700 -0.014 0.000 0.787 435 E HN 0.585 nan 8.360 nan 0.000 0.472 436 T N 2.849 117.390 114.554 -0.022 0.000 2.442 436 T HA -0.249 4.102 4.350 0.002 0.000 0.237 436 T C 1.962 176.644 174.700 -0.030 0.000 1.361 436 T CA 2.270 64.352 62.100 -0.030 0.000 1.127 436 T CB -0.822 68.023 68.868 -0.039 0.000 0.845 436 T HN 0.154 nan 8.240 nan 0.000 0.433 437 L N 1.459 122.664 121.223 -0.029 0.000 2.610 437 L HA 0.195 4.536 4.340 0.002 0.000 0.232 437 L C 0.945 177.801 176.870 -0.024 0.000 1.149 437 L CA 0.191 55.015 54.840 -0.028 0.000 0.872 437 L CB -1.012 41.029 42.059 -0.029 0.000 0.992 437 L HN 0.463 nan 8.230 nan 0.000 0.447 438 N N 0.541 119.227 118.700 -0.024 0.000 2.727 438 N HA -0.183 4.558 4.740 0.002 0.000 0.251 438 N C -0.189 175.303 175.510 -0.029 0.000 1.040 438 N CA 0.575 53.611 53.050 -0.024 0.000 0.712 438 N CB -0.926 37.549 38.487 -0.020 0.000 0.912 438 N HN 0.261 nan 8.380 nan 0.000 0.545 439 S N 0.277 115.954 115.700 -0.037 0.000 2.584 439 S HA 0.149 4.620 4.470 0.002 0.000 0.270 439 S C 1.121 175.683 174.600 -0.062 0.000 1.346 439 S CA 0.139 58.306 58.200 -0.055 0.000 1.018 439 S CB 0.887 64.042 63.200 -0.075 0.000 0.899 439 S HN 0.590 nan 8.310 nan 0.000 0.542 440 D N -1.259 119.094 120.400 -0.079 0.000 2.441 440 D HA 0.283 4.924 4.640 0.002 0.000 0.210 440 D C 1.007 177.235 176.300 -0.119 0.000 1.102 440 D CA 0.265 54.217 54.000 -0.079 0.000 0.840 440 D CB -0.339 40.426 40.800 -0.058 0.000 0.990 440 D HN 0.780 nan 8.370 nan 0.000 0.505 441 G N 0.543 109.234 108.800 -0.181 0.000 2.160 441 G HA2 -0.231 3.730 3.960 0.002 0.000 0.244 441 G HA3 -0.231 3.730 3.960 0.002 0.000 0.244 441 G C -0.136 174.539 174.900 -0.374 0.000 1.022 441 G CA 0.186 45.120 45.100 -0.277 0.000 0.741 441 G HN 0.427 nan 8.290 nan 0.000 0.508 442 I N 0.479 120.860 120.570 -0.316 0.000 2.410 442 I HA 0.401 4.572 4.170 0.002 0.000 0.286 442 I C 0.369 176.338 176.117 -0.246 0.000 1.009 442 I CA -1.254 59.874 61.300 -0.286 0.000 1.111 442 I CB 0.892 38.826 38.000 -0.109 0.000 1.262 442 I HN -0.050 nan 8.210 nan 0.000 0.443 443 F N 5.487 125.349 119.950 -0.146 0.000 2.635 443 F HA 0.044 4.572 4.527 0.002 0.000 0.379 443 F C 1.004 176.738 175.800 -0.109 0.000 1.094 443 F CA 0.620 58.517 58.000 -0.172 0.000 1.300 443 F CB 0.053 38.914 39.000 -0.232 0.000 1.035 443 F HN 0.380 nan 8.300 nan 0.000 0.581 444 R N 0.540 121.110 120.500 0.117 0.000 2.854 444 R HA 0.470 4.811 4.340 0.002 0.000 0.271 444 R C -0.287 176.049 176.300 0.060 0.000 0.994 444 R CA -1.036 55.118 56.100 0.090 0.000 0.945 444 R CB 2.062 32.437 30.300 0.125 0.000 1.194 444 R HN 0.618 nan 8.270 nan 0.000 0.476 445 T N 0.269 114.829 114.554 0.009 0.000 2.899 445 T HA 0.230 4.581 4.350 0.002 0.000 0.284 445 T C 0.254 175.022 174.700 0.114 0.000 1.004 445 T CA -0.423 61.641 62.100 -0.060 0.000 1.043 445 T CB 0.720 69.392 68.868 -0.325 0.000 1.013 445 T HN 0.651 nan 8.240 nan 0.000 0.518 446 S N 3.446 119.226 115.700 0.133 0.000 2.645 446 S HA 0.361 4.832 4.470 0.002 0.000 0.266 446 S C -1.867 172.975 174.600 0.403 0.000 1.258 446 S CA -1.132 57.246 58.200 0.296 0.000 0.990 446 S CB 0.713 64.067 63.200 0.257 0.000 0.967 446 S HN 0.498 nan 8.310 nan 0.000 0.556 447 P HA -0.157 nan 4.420 nan 0.000 0.216 447 P C 1.707 179.372 177.300 0.608 0.000 1.153 447 P CA 1.251 64.748 63.100 0.662 0.000 0.858 447 P CB -0.039 32.048 31.700 0.645 0.000 0.789 448 R N -0.222 120.534 120.500 0.427 0.000 2.113 448 R HA -0.160 4.181 4.340 0.002 0.000 0.244 448 R C 2.288 178.815 176.300 0.379 0.000 1.142 448 R CA 2.280 58.553 56.100 0.287 0.000 0.953 448 R CB -1.345 29.020 30.300 0.109 0.000 0.860 448 R HN 0.180 nan 8.270 nan 0.000 0.438 449 G N -0.302 108.693 108.800 0.324 0.000 2.421 449 G HA2 -0.264 3.697 3.960 0.002 0.000 0.216 449 G HA3 -0.264 3.697 3.960 0.002 0.000 0.216 449 G C 1.040 176.044 174.900 0.174 0.000 1.171 449 G CA 0.734 46.003 45.100 0.282 0.000 0.775 449 G HN 0.487 nan 8.290 nan 0.000 0.543 450 W N -0.120 121.359 121.300 0.299 0.000 2.355 450 W HA 0.050 4.711 4.660 0.002 0.000 0.309 450 W C 2.256 178.974 176.519 0.332 0.000 1.206 450 W CA 0.574 58.069 57.345 0.251 0.000 1.284 450 W CB -0.603 28.956 29.460 0.165 0.000 1.145 450 W HN 0.161 nan 8.180 nan 0.000 0.502 451 F N 1.200 121.511 119.950 0.602 0.000 2.120 451 F HA -0.318 4.210 4.527 0.002 0.000 0.300 451 F C 2.321 178.397 175.800 0.460 0.000 1.095 451 F CA 2.415 60.800 58.000 0.641 0.000 1.249 451 F CB -0.700 38.681 39.000 0.635 0.000 0.995 451 F HN -0.295 nan 8.300 nan 0.000 0.480 452 T N 0.650 115.561 114.554 0.596 0.000 2.746 452 T HA -0.227 4.124 4.350 0.002 0.000 0.267 452 T C 1.567 176.316 174.700 0.082 0.000 1.039 452 T CA 1.607 63.904 62.100 0.328 0.000 1.142 452 T CB -0.712 68.305 68.868 0.247 0.000 0.866 452 T HN 0.417 nan 8.240 nan 0.000 0.444 453 F N 2.364 122.268 119.950 -0.076 0.000 2.084 453 F HA 0.061 4.589 4.527 0.002 0.000 0.296 453 F C 2.446 178.104 175.800 -0.236 0.000 1.111 453 F CA 0.980 58.862 58.000 -0.196 0.000 1.224 453 F CB -0.915 37.958 39.000 -0.210 0.000 0.991 453 F HN 0.131 nan 8.300 nan 0.000 0.471 454 A N -0.154 122.428 122.820 -0.396 0.000 1.883 454 A HA -0.262 4.059 4.320 0.002 0.000 0.217 454 A C 1.924 178.923 177.584 -0.975 0.000 1.186 454 A CA 2.240 53.768 52.037 -0.848 0.000 0.624 454 A CB -1.447 17.231 19.000 -0.537 0.000 0.822 454 A HN 0.655 nan 8.150 nan 0.000 0.444 455 H N -0.725 118.049 119.070 -0.493 0.000 2.428 455 H HA 0.236 4.793 4.556 0.002 0.000 0.296 455 H C 2.339 177.435 175.328 -0.386 0.000 1.062 455 H CA 1.126 56.956 56.048 -0.362 0.000 1.350 455 H CB -0.143 29.399 29.762 -0.368 0.000 1.403 455 H HN 0.520 nan 8.280 nan 0.000 0.533 456 A N 0.341 122.974 122.820 -0.312 0.000 1.969 456 A HA -0.094 4.227 4.320 0.002 0.000 0.218 456 A C 2.402 179.717 177.584 -0.449 0.000 1.169 456 A CA 1.382 53.212 52.037 -0.346 0.000 0.635 456 A CB -0.602 18.275 19.000 -0.206 0.000 0.810 456 A HN 0.233 nan 8.150 nan 0.000 0.445 457 V N -1.055 118.504 119.914 -0.591 0.000 2.239 457 V HA -0.158 3.963 4.120 0.002 0.000 0.242 457 V C 2.230 178.123 176.094 -0.336 0.000 1.038 457 V CA 1.804 63.777 62.300 -0.545 0.000 1.002 457 V CB -1.101 30.210 31.823 -0.853 0.000 0.641 457 V HN 0.504 nan 8.190 nan 0.000 0.449 458 F N 1.271 121.007 119.950 -0.357 0.000 2.085 458 F HA -0.312 4.216 4.527 0.002 0.000 0.299 458 F C 2.487 178.198 175.800 -0.149 0.000 1.096 458 F CA 1.550 59.416 58.000 -0.223 0.000 1.227 458 F CB -1.614 37.153 39.000 -0.389 0.000 0.983 458 F HN 0.128 nan 8.300 nan 0.000 0.482 459 A N 0.026 122.746 122.820 -0.166 0.000 1.859 459 A HA -0.214 4.107 4.320 0.002 0.000 0.217 459 A C 2.183 179.645 177.584 -0.203 0.000 1.198 459 A CA 1.857 53.706 52.037 -0.313 0.000 0.629 459 A CB -1.330 17.077 19.000 -0.987 0.000 0.830 459 A HN 0.339 nan 8.150 nan 0.000 0.446 460 L N -0.514 120.532 121.223 -0.295 0.000 2.187 460 L HA -0.101 4.240 4.340 0.002 0.000 0.213 460 L C 2.190 179.124 176.870 0.106 0.000 1.100 460 L CA 1.479 56.327 54.840 0.013 0.000 0.765 460 L CB -0.421 41.660 42.059 0.036 0.000 0.904 460 L HN 0.436 nan 8.230 nan 0.000 0.437 461 L N -2.391 118.909 121.223 0.129 0.000 2.095 461 L HA -0.151 4.190 4.340 0.002 0.000 0.204 461 L C 2.298 179.338 176.870 0.283 0.000 1.080 461 L CA 0.993 55.948 54.840 0.192 0.000 0.759 461 L CB -0.365 41.812 42.059 0.197 0.000 0.914 461 L HN 0.189 nan 8.230 nan 0.000 0.439 462 F N -0.809 119.208 119.950 0.111 0.000 2.216 462 F HA -0.291 4.238 4.527 0.002 0.000 0.300 462 F C 2.338 178.227 175.800 0.147 0.000 1.085 462 F CA 1.246 59.344 58.000 0.163 0.000 1.326 462 F CB -0.252 38.870 39.000 0.203 0.000 1.027 462 F HN 0.033 nan 8.300 nan 0.000 0.497 463 F N 0.082 119.966 119.950 -0.110 0.000 2.091 463 F HA -0.346 4.182 4.527 0.002 0.000 0.299 463 F C 2.219 178.051 175.800 0.054 0.000 1.103 463 F CA 1.702 59.494 58.000 -0.347 0.000 1.228 463 F CB -0.901 37.846 39.000 -0.421 0.000 0.984 463 F HN 0.007 nan 8.300 nan 0.000 0.477 464 F N 1.228 121.326 119.950 0.247 0.000 2.202 464 F HA -0.064 4.464 4.527 0.002 0.000 0.301 464 F C 2.288 178.086 175.800 -0.004 0.000 1.082 464 F CA 1.725 59.796 58.000 0.119 0.000 1.313 464 F CB -0.960 38.103 39.000 0.106 0.000 1.024 464 F HN 0.050 nan 8.300 nan 0.000 0.495 465 G N -1.376 107.496 108.800 0.121 0.000 2.402 465 G HA2 -0.330 3.631 3.960 0.002 0.000 0.216 465 G HA3 -0.330 3.631 3.960 0.002 0.000 0.216 465 G C 1.400 176.351 174.900 0.086 0.000 1.162 465 G CA 1.056 46.196 45.100 0.066 0.000 0.777 465 G HN 0.520 nan 8.290 nan 0.000 0.539 466 H N 0.767 119.831 119.070 -0.009 0.000 2.267 466 H HA -0.040 4.517 4.556 0.002 0.000 0.297 466 H C 2.413 177.644 175.328 -0.161 0.000 1.080 466 H CA 1.542 57.590 56.048 0.000 0.000 1.278 466 H CB -0.422 29.400 29.762 0.100 0.000 1.365 466 H HN 0.184 nan 8.280 nan 0.000 0.489 467 I N 0.564 120.788 120.570 -0.578 0.000 2.248 467 I HA -0.293 3.878 4.170 0.002 0.000 0.248 467 I C 2.558 178.401 176.117 -0.457 0.000 1.107 467 I CA 1.387 62.309 61.300 -0.629 0.000 1.373 467 I CB -0.879 36.734 38.000 -0.645 0.000 1.055 467 I HN 0.563 nan 8.210 nan 0.000 0.418 468 W N 0.641 121.558 121.300 -0.639 0.000 2.413 468 W HA -0.198 4.463 4.660 0.001 0.000 0.315 468 W C 2.581 178.879 176.519 -0.369 0.000 1.186 468 W CA 1.460 58.476 57.345 -0.549 0.000 1.326 468 W CB -0.676 28.421 29.460 -0.605 0.000 1.153 468 W HN 0.188 nan 8.180 nan 0.000 0.489 469 H N 0.049 118.995 119.070 -0.207 0.000 2.387 469 H HA -0.089 4.468 4.556 0.002 0.000 0.299 469 H C 2.454 177.597 175.328 -0.308 0.000 1.090 469 H CA 1.775 57.658 56.048 -0.276 0.000 1.332 469 H CB -1.075 28.665 29.762 -0.036 0.000 1.386 469 H HN 0.286 nan 8.280 nan 0.000 0.516 470 G N 0.537 109.226 108.800 -0.185 0.000 2.480 470 G HA2 -0.246 3.715 3.960 0.002 0.000 0.216 470 G HA3 -0.246 3.715 3.960 0.002 0.000 0.216 470 G C 2.034 176.820 174.900 -0.189 0.000 1.200 470 G CA 1.570 46.544 45.100 -0.211 0.000 0.782 470 G HN 0.516 nan 8.290 nan 0.000 0.554 471 A N 0.680 123.350 122.820 -0.250 0.000 1.873 471 A HA -0.143 4.178 4.320 0.002 0.000 0.218 471 A C 2.323 179.815 177.584 -0.154 0.000 1.193 471 A CA 2.058 53.999 52.037 -0.160 0.000 0.629 471 A CB -0.557 18.224 19.000 -0.365 0.000 0.826 471 A HN 0.362 nan 8.150 nan 0.000 0.447 472 R N -1.088 119.133 120.500 -0.464 0.000 2.341 472 R HA -0.083 4.259 4.340 0.002 0.000 0.213 472 R C 1.390 177.503 176.300 -0.311 0.000 1.082 472 R CA 1.557 57.337 56.100 -0.533 0.000 1.017 472 R CB -0.248 29.542 30.300 -0.851 0.000 0.860 472 R HN 0.567 nan 8.270 nan 0.000 0.473 473 T N -0.149 114.293 114.554 -0.187 0.000 3.033 473 T HA 0.121 4.472 4.350 0.002 0.000 0.248 473 T C 1.409 176.038 174.700 -0.119 0.000 1.040 473 T CA 0.294 62.306 62.100 -0.146 0.000 1.133 473 T CB 0.228 69.020 68.868 -0.127 0.000 0.895 473 T HN 0.143 nan 8.240 nan 0.000 0.465 474 L N -0.185 120.987 121.223 -0.084 0.000 2.492 474 L HA 0.264 4.605 4.340 0.002 0.000 0.223 474 L C 0.613 177.235 176.870 -0.414 0.000 1.132 474 L CA 0.945 55.654 54.840 -0.219 0.000 0.850 474 L CB -0.138 41.776 42.059 -0.241 0.000 0.966 474 L HN 0.256 nan 8.230 nan 0.000 0.454 475 F N -1.558 118.311 119.950 -0.135 0.000 2.791 475 F HA 0.263 4.791 4.527 0.001 0.000 0.316 475 F C 1.961 177.717 175.800 -0.072 0.000 1.134 475 F CA -0.365 57.582 58.000 -0.088 0.000 1.222 475 F CB 0.015 38.968 39.000 -0.079 0.000 1.034 475 F HN -0.191 nan 8.300 nan 0.000 0.516 476 R N 1.497 122.000 120.500 0.005 0.000 2.103 476 R HA -0.211 4.130 4.340 0.002 0.000 0.242 476 R C 2.100 178.446 176.300 0.078 0.000 1.142 476 R CA 2.452 58.532 56.100 -0.034 0.000 0.960 476 R CB -0.399 29.849 30.300 -0.087 0.000 0.858 476 R HN 0.447 nan 8.270 nan 0.000 0.439 477 D N 0.061 120.490 120.400 0.048 0.000 2.106 477 D HA -0.156 4.485 4.640 0.002 0.000 0.191 477 D C 1.664 178.028 176.300 0.107 0.000 0.997 477 D CA 1.943 55.978 54.000 0.058 0.000 0.834 477 D CB -0.661 40.147 40.800 0.013 0.000 0.956 477 D HN 0.312 nan 8.370 nan 0.000 0.448 478 V N -2.705 117.296 119.914 0.144 0.000 3.510 478 V HA 0.145 4.266 4.120 0.002 0.000 0.270 478 V C 1.081 177.286 176.094 0.185 0.000 1.201 478 V CA -0.451 61.942 62.300 0.155 0.000 1.166 478 V CB -1.724 30.215 31.823 0.193 0.000 0.825 478 V HN -0.065 nan 8.190 nan 0.000 0.484 479 F N 1.813 121.781 119.950 0.030 0.000 2.535 479 F HA 0.424 4.951 4.527 0.001 0.000 0.332 479 F C 1.679 177.484 175.800 0.007 0.000 1.208 479 F CA 0.934 58.936 58.000 0.002 0.000 1.330 479 F CB 0.838 39.830 39.000 -0.013 0.000 1.167 479 F HN 0.315 nan 8.300 nan 0.000 0.597 480 S N -0.275 115.165 115.700 -0.433 0.000 2.361 480 S HA -0.107 4.365 4.470 0.002 0.000 0.247 480 S C 0.227 174.738 174.600 -0.149 0.000 1.218 480 S CA 1.034 59.073 58.200 -0.268 0.000 1.502 480 S CB -2.161 60.995 63.200 -0.072 0.000 1.893 480 S HN 1.996 nan 8.310 nan 0.000 0.610 481 G N 0.293 109.039 108.800 -0.091 0.000 2.346 481 G HA2 0.416 4.377 3.960 0.002 0.000 0.294 481 G HA3 0.416 4.377 3.960 0.002 0.000 0.294 481 G C -0.685 174.214 174.900 -0.002 0.000 1.294 481 G CA -0.280 44.792 45.100 -0.047 0.000 0.962 481 G HN 1.267 nan 8.290 nan 0.000 0.508 482 I N -3.830 116.741 120.570 0.001 0.000 3.786 482 I HA 1.022 5.193 4.170 0.002 0.000 0.267 482 I C -0.925 175.198 176.117 0.009 0.000 1.209 482 I CA -0.957 60.352 61.300 0.015 0.000 1.157 482 I CB 2.469 40.481 38.000 0.019 0.000 1.399 482 I HN 0.537 nan 8.210 nan 0.000 0.502 483 D N -0.504 119.903 120.400 0.011 0.000 2.783 483 D HA 0.401 5.042 4.640 0.002 0.000 0.253 483 D C -2.541 173.764 176.300 0.008 0.000 1.206 483 D CA 0.116 54.120 54.000 0.008 0.000 0.740 483 D CB 0.949 41.753 40.800 0.007 0.000 1.313 483 D HN 0.642 nan 8.370 nan 0.000 0.427 484 P HA -0.130 nan 4.420 nan 0.000 0.299 484 P C -0.249 177.055 177.300 0.006 0.000 1.967 484 P CA 1.441 64.544 63.100 0.005 0.000 1.762 484 P CB 0.027 31.729 31.700 0.004 0.000 0.244 485 E N -2.606 117.597 120.200 0.005 0.000 9.214 485 E HA -0.119 4.232 4.350 0.002 0.000 0.465 485 E C -1.613 174.990 176.600 0.005 0.000 1.407 485 E CA 0.384 56.786 56.400 0.005 0.000 2.446 485 E CB -0.931 28.772 29.700 0.005 0.000 1.031 485 E HN 0.594 nan 8.360 nan 0.000 0.329 486 L N 0.000 121.226 121.223 0.005 0.000 2.949 486 L HA 0.000 4.341 4.340 0.002 0.000 0.249 486 L CA 0.000 54.843 54.840 0.005 0.000 0.813 486 L CB 0.000 42.061 42.059 0.004 0.000 0.961 486 L HN 0.000 nan 8.230 nan 0.000 0.502