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 3bz1_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 IDPELSPEQV 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 3.966 3.960 0.011 0.000 0.244 2 G C 0.000 174.878 174.900 -0.037 0.000 0.946 2 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 3 L N 2.726 123.921 121.223 -0.048 0.000 2.380 3 L HA 0.383 4.730 4.340 0.011 0.000 0.273 3 L C -1.797 174.983 176.870 -0.149 0.000 1.138 3 L CA -1.264 53.518 54.840 -0.097 0.000 0.832 3 L CB 1.063 43.074 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 0.480 177.518 177.300 -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 -0.920 0.000 0.978 5 W N 1.735 122.916 121.300 -0.198 0.000 2.338 5 W HA -0.231 4.435 4.660 0.010 0.000 0.304 5 W C 1.012 177.458 176.519 -0.123 0.000 1.212 5 W CA 1.124 58.407 57.345 -0.104 0.000 1.264 5 W CB -1.833 27.627 29.460 0.001 0.000 1.142 5 W HN 0.426 nan 8.180 nan 0.000 0.512 6 Y N 0.755 120.466 120.300 -0.981 0.000 2.542 6 Y HA 0.357 4.913 4.550 0.011 0.000 0.326 6 Y C 1.918 177.601 175.900 -0.362 0.000 1.218 6 Y CA 0.149 57.722 58.100 -0.879 0.000 1.277 6 Y CB -0.951 36.675 38.460 -1.390 0.000 1.064 6 Y HN -0.064 nan 8.280 nan 0.000 0.499 7 R N -0.307 119.913 120.500 -0.467 0.000 2.521 7 R HA 0.111 4.458 4.340 0.011 0.000 0.289 7 R C 1.834 178.077 176.300 -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 -1.359 118.490 119.914 -0.109 0.000 2.511 8 V HA -0.310 3.816 4.120 0.011 0.000 0.257 8 V C 1.380 177.551 176.094 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 0.901 120.003 119.070 0.053 0.000 2.539 9 H HA 0.043 4.605 4.556 0.011 0.000 0.267 9 H C 2.308 177.668 175.328 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 -2.098 112.545 114.554 0.148 0.000 3.072 10 T HA -0.083 4.273 4.350 0.011 0.000 0.266 10 T C 1.899 176.627 174.700 0.046 0.000 1.127 10 T CA 0.299 62.450 62.100 0.084 0.000 1.107 10 T CB -0.506 68.398 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 4.269 4.120 0.011 0.000 0.273 11 V C 1.612 177.690 176.094 -0.028 0.000 1.179 11 V CA 1.139 63.445 62.300 0.010 0.000 1.174 11 V CB -0.750 31.094 31.823 0.035 0.000 0.794 11 V HN 0.626 nan 8.190 nan 0.000 0.527 12 L N -1.762 119.457 121.223 -0.008 0.000 2.781 12 L HA 0.238 4.584 4.340 0.011 0.000 0.245 12 L C 1.927 178.762 176.870 -0.058 0.000 1.118 12 L CA 0.050 54.861 54.840 -0.048 0.000 0.918 12 L CB 0.051 42.094 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 3.869 4.170 0.011 0.000 0.257 13 I C 0.199 176.285 176.117 -0.051 0.000 1.123 13 I CA 1.579 62.856 61.300 -0.038 0.000 1.393 13 I CB -0.488 37.497 38.000 -0.025 0.000 1.073 13 I HN 0.613 nan 8.210 nan 0.000 0.437 14 N N -0.646 118.021 118.700 -0.056 0.000 2.666 14 N HA 0.148 4.895 4.740 0.011 0.000 0.253 14 N C -0.937 174.540 175.510 -0.055 0.000 1.621 14 N CA -0.362 52.659 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 0.556 120.897 120.400 -0.099 0.000 3.060 15 D HA 0.287 4.933 4.640 0.011 0.000 0.326 15 D C -1.873 174.305 176.300 -0.203 0.000 1.253 15 D CA -1.546 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 -0.191 nan 4.420 nan 0.000 0.221 16 P C 1.369 178.223 177.300 -0.742 0.000 1.153 16 P CA 1.823 64.589 63.100 -0.557 0.000 0.858 16 P CB 0.306 31.575 31.700 -0.719 0.000 0.783 17 G N 0.065 108.475 108.800 -0.649 0.000 2.484 17 G HA2 -0.243 3.724 3.960 0.011 0.000 0.215 17 G HA3 -0.243 3.724 3.960 0.011 0.000 0.215 17 G C 1.450 176.297 174.900 -0.088 0.000 1.219 17 G CA 0.539 45.472 45.100 -0.279 0.000 0.791 17 G HN 0.207 nan 8.290 nan 0.000 0.550 18 R N -0.006 120.429 120.500 -0.107 0.000 2.280 18 R HA 0.103 4.449 4.340 0.011 0.000 0.207 18 R C 2.283 178.591 176.300 0.014 0.000 1.043 18 R CA 0.278 56.345 56.100 -0.054 0.000 1.006 18 R CB -0.573 29.498 30.300 -0.381 0.000 0.885 18 R HN 0.413 nan 8.270 nan 0.000 0.467 19 L N 0.613 121.751 121.223 -0.141 0.000 2.131 19 L HA 0.043 4.389 4.340 0.011 0.000 0.206 19 L C 2.037 178.722 176.870 -0.308 0.000 1.087 19 L CA 1.283 55.979 54.840 -0.239 0.000 0.767 19 L CB -0.059 41.800 42.059 -0.332 0.000 0.917 19 L HN -0.024 nan 8.230 nan 0.000 0.441 20 I N -0.695 119.737 120.570 -0.230 0.000 2.353 20 I HA -0.189 3.988 4.170 0.011 0.000 0.248 20 I C 2.530 178.662 176.117 0.025 0.000 1.119 20 I CA 0.933 62.137 61.300 -0.161 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 0.136 0.000 1.908 21 A HA -0.199 4.127 4.320 0.011 0.000 0.218 21 A C 2.496 180.222 177.584 0.237 0.000 1.181 21 A CA 1.968 54.185 52.037 0.300 0.000 0.627 21 A CB -0.799 18.519 19.000 0.529 0.000 0.818 21 A HN 0.426 nan 8.150 nan 0.000 0.445 22 A N -0.728 122.219 122.820 0.211 0.000 1.832 22 A HA -0.180 4.147 4.320 0.011 0.000 0.214 22 A C 1.916 179.647 177.584 0.245 0.000 1.200 22 A CA 1.483 53.629 52.037 0.181 0.000 0.610 22 A CB -1.258 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 -0.758 118.341 119.070 0.047 0.000 2.466 23 H HA -0.113 4.449 4.556 0.010 0.000 0.297 23 H C 1.989 177.380 175.328 0.105 0.000 1.113 23 H CA 1.081 57.157 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 -0.236 121.129 121.223 0.237 0.000 2.072 24 L HA -0.183 4.164 4.340 0.011 0.000 0.205 24 L C 2.616 179.607 176.870 0.201 0.000 1.079 24 L CA 0.640 55.601 54.840 0.201 0.000 0.752 24 L CB -0.104 42.076 42.059 0.201 0.000 0.906 24 L HN 0.273 nan 8.230 nan 0.000 0.436 25 M N -0.915 118.800 119.600 0.192 0.000 2.117 25 M HA -0.256 4.230 4.480 0.011 0.000 0.262 25 M C 2.315 178.725 176.300 0.183 0.000 1.065 25 M CA 1.775 57.187 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 4.419 4.556 0.011 0.000 0.297 26 H C 1.531 176.895 175.328 0.059 0.000 1.080 26 H CA 2.405 58.482 56.048 0.047 0.000 1.278 26 H CB -0.450 29.307 29.762 -0.007 0.000 1.365 26 H HN 0.354 nan 8.280 nan 0.000 0.489 27 T N 1.224 115.919 114.554 0.234 0.000 2.685 27 T HA -0.209 4.148 4.350 0.011 0.000 0.268 27 T C 2.188 176.951 174.700 0.104 0.000 1.034 27 T CA 1.667 63.863 62.100 0.159 0.000 1.149 27 T CB -0.700 68.263 68.868 0.158 0.000 0.860 27 T HN 0.550 nan 8.240 nan 0.000 0.449 28 A N 1.125 124.024 122.820 0.132 0.000 1.883 28 A HA -0.047 4.279 4.320 0.011 0.000 0.217 28 A C 2.325 179.970 177.584 0.102 0.000 1.186 28 A CA 1.423 53.546 52.037 0.144 0.000 0.624 28 A CB -0.865 18.263 19.000 0.214 0.000 0.822 28 A HN 0.502 nan 8.150 nan 0.000 0.444 29 L N -0.587 120.666 121.223 0.051 0.000 2.056 29 L HA -0.139 4.207 4.340 0.011 0.000 0.207 29 L C 2.471 179.364 176.870 0.037 0.000 1.078 29 L CA 0.977 55.830 54.840 0.022 0.000 0.749 29 L CB -0.510 41.523 42.059 -0.043 0.000 0.901 29 L HN 0.248 nan 8.230 nan 0.000 0.433 30 V N -0.077 119.801 119.914 -0.059 0.000 2.515 30 V HA -0.218 3.909 4.120 0.011 0.000 0.250 30 V C 2.657 178.879 176.094 0.214 0.000 1.058 30 V CA 1.663 63.970 62.300 0.011 0.000 1.064 30 V CB -0.761 31.008 31.823 -0.090 0.000 0.675 30 V HN 0.456 nan 8.190 nan 0.000 0.461 31 A N 0.555 123.484 122.820 0.181 0.000 1.897 31 A HA 0.043 4.370 4.320 0.011 0.000 0.215 31 A C 2.412 180.148 177.584 0.253 0.000 1.181 31 A CA 1.572 53.758 52.037 0.249 0.000 0.620 31 A CB -1.099 18.003 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 3.659 3.960 0.011 0.000 0.217 32 G HA3 -0.308 3.659 3.960 0.011 0.000 0.217 32 G C 1.410 176.397 174.900 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 1.942 123.253 121.300 0.018 0.000 2.317 33 W HA -0.066 4.601 4.660 0.011 0.000 0.318 33 W C 2.739 179.272 176.519 0.024 0.000 1.227 33 W CA 2.703 60.053 57.345 0.009 0.000 1.269 33 W CB -0.378 29.077 29.460 -0.009 0.000 1.155 33 W HN 0.282 nan 8.180 nan 0.000 0.484 34 A N 1.081 123.977 122.820 0.127 0.000 1.873 34 A HA -0.149 4.177 4.320 0.011 0.000 0.218 34 A C 2.271 179.636 177.584 -0.366 0.000 1.193 34 A CA 2.626 54.529 52.037 -0.223 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 -0.224 108.489 108.800 -0.146 0.000 2.491 35 G HA2 -0.260 3.706 3.960 0.011 0.000 0.218 35 G HA3 -0.260 3.706 3.960 0.011 0.000 0.218 35 G C 1.959 176.767 174.900 -0.153 0.000 1.180 35 G CA 2.083 47.120 45.100 -0.105 0.000 0.774 35 G HN 0.929 nan 8.290 nan 0.000 0.562 36 S N -0.153 115.448 115.700 -0.166 0.000 2.428 36 S HA 0.015 4.492 4.470 0.011 0.000 0.230 36 S C 2.200 176.657 174.600 -0.238 0.000 1.014 36 S CA 1.453 59.560 58.200 -0.154 0.000 0.957 36 S CB -0.190 62.949 63.200 -0.100 0.000 0.784 36 S HN 0.236 nan 8.310 nan 0.000 0.499 37 M N 2.758 122.047 119.600 -0.519 0.000 2.229 37 M HA 0.229 4.715 4.480 0.011 0.000 0.264 37 M C 2.018 178.185 176.300 -0.221 0.000 1.063 37 M CA 1.030 56.023 55.300 -0.513 0.000 1.114 37 M CB -0.975 30.953 32.600 -1.119 0.000 1.387 37 M HN 0.371 nan 8.290 nan 0.000 0.420 38 A N 0.462 123.133 122.820 -0.248 0.000 1.835 38 A HA -0.131 4.195 4.320 0.011 0.000 0.215 38 A C 2.112 179.655 177.584 -0.069 0.000 1.199 38 A CA 2.001 53.952 52.037 -0.143 0.000 0.615 38 A CB -1.274 17.634 19.000 -0.153 0.000 0.838 38 A HN 0.568 nan 8.150 nan 0.000 0.444 39 L N -1.909 119.283 121.223 -0.051 0.000 2.089 39 L HA -0.270 4.076 4.340 0.011 0.000 0.213 39 L C 2.623 179.506 176.870 0.022 0.000 1.079 39 L CA 2.069 56.904 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 4.335 4.550 0.010 0.000 0.288 40 Y C 2.497 178.379 175.900 -0.030 0.000 1.146 40 Y CA 1.631 59.700 58.100 -0.052 0.000 1.164 40 Y CB -0.096 38.323 38.460 -0.068 0.000 0.982 40 Y HN 0.209 nan 8.280 nan 0.000 0.515 41 E N -0.111 120.048 120.200 -0.068 0.000 2.107 41 E HA -0.150 4.206 4.350 0.011 0.000 0.191 41 E C 2.178 178.718 176.600 -0.099 0.000 0.982 41 E CA 1.207 57.536 56.400 -0.120 0.000 0.809 41 E CB -0.242 29.416 29.700 -0.069 0.000 0.756 41 E HN 0.480 nan 8.360 nan 0.000 0.459 42 L N 0.517 121.702 121.223 -0.063 0.000 2.275 42 L HA -0.080 4.266 4.340 0.011 0.000 0.215 42 L C 2.318 179.196 176.870 0.013 0.000 1.119 42 L CA 0.626 55.481 54.840 0.025 0.000 0.790 42 L CB -0.253 41.837 42.059 0.051 0.000 0.919 42 L HN 0.106 nan 8.230 nan 0.000 0.443 43 A N -0.772 122.004 122.820 -0.072 0.000 2.208 43 A HA -0.031 4.295 4.320 0.011 0.000 0.209 43 A C 1.940 179.430 177.584 -0.156 0.000 1.161 43 A CA 1.335 53.319 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 -5.129 109.301 114.554 -0.206 0.000 3.009 44 T HA 0.281 4.637 4.350 0.011 0.000 0.267 44 T C 0.115 174.719 174.700 -0.160 0.000 0.942 44 T CA -0.348 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 3.582 123.374 119.950 -0.262 0.000 2.443 45 F HA 0.546 5.079 4.527 0.010 0.000 0.353 45 F C -0.266 175.316 175.800 -0.364 0.000 1.101 45 F CA -1.240 56.587 58.000 -0.289 0.000 1.226 45 F CB 0.791 39.608 39.000 -0.304 0.000 1.140 45 F HN 0.021 nan 8.300 nan 0.000 0.557 46 D N 8.119 127.733 120.400 -1.311 0.000 2.392 46 D HA 0.334 4.980 4.640 0.011 0.000 0.228 46 D C -2.042 173.313 176.300 -1.574 0.000 1.074 46 D CA -2.487 50.818 54.000 -1.159 0.000 0.838 46 D CB 1.526 41.939 40.800 -0.645 0.000 1.067 46 D HN 0.300 nan 8.370 nan 0.000 0.511 47 P HA -0.040 nan 4.420 nan 0.000 0.249 47 P C 1.026 178.056 177.300 -0.451 0.000 1.229 47 P CA 0.195 62.740 63.100 -0.924 0.000 0.788 47 P CB 0.136 31.161 31.700 -1.125 0.000 1.072 48 S N -0.461 114.981 115.700 -0.430 0.000 2.461 48 S HA -0.173 4.304 4.470 0.011 0.000 0.246 48 S C 0.549 175.046 174.600 -0.173 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 0.238 120.520 120.400 -0.196 0.000 2.333 49 D HA 0.297 4.943 4.640 0.011 0.000 0.225 49 D C -2.392 173.845 176.300 -0.104 0.000 1.345 49 D CA -1.400 52.524 54.000 -0.127 0.000 0.971 49 D CB 1.711 42.426 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 1.024 178.351 177.300 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 0.445 120.359 119.914 0.000 0.000 2.283 51 V HA -0.084 4.042 4.120 0.011 0.000 0.239 51 V C 2.585 178.609 176.094 -0.118 0.000 1.035 51 V CA 1.369 63.666 62.300 -0.006 0.000 1.018 51 V CB -1.034 30.781 31.823 -0.013 0.000 0.658 51 V HN -0.013 nan 8.190 nan 0.000 0.459 52 L N -0.223 120.846 121.223 -0.258 0.000 2.585 52 L HA 0.277 4.623 4.340 0.011 0.000 0.226 52 L C 0.649 177.282 176.870 -0.394 0.000 1.113 52 L CA 0.452 54.960 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 0.748 119.287 118.700 -0.269 0.000 2.733 53 N HA 0.200 4.946 4.740 0.011 0.000 0.271 53 N C -2.720 172.636 175.510 -0.256 0.000 1.720 53 N CA -1.441 51.452 53.050 -0.261 0.000 0.803 53 N CB 1.238 39.583 38.487 -0.236 0.000 1.208 53 N HN -0.094 nan 8.380 nan 0.000 0.498 54 P HA 0.140 nan 4.420 nan 0.000 0.282 54 P C 1.413 178.579 177.300 -0.223 0.000 1.259 54 P CA -0.507 62.460 63.100 -0.222 0.000 0.826 54 P CB 1.039 32.598 31.700 -0.235 0.000 1.064 55 M N 0.785 120.436 119.600 0.085 0.000 2.146 55 M HA -0.187 4.299 4.480 0.011 0.000 0.251 55 M C 1.545 177.867 176.300 0.036 0.000 1.083 55 M CA 2.323 57.685 55.300 0.102 0.000 1.076 55 M CB -1.590 30.925 32.600 -0.142 0.000 1.332 55 M HN 0.402 nan 8.290 nan 0.000 0.400 56 W N 0.247 121.559 121.300 0.019 0.000 2.961 56 W HA 0.122 4.788 4.660 0.011 0.000 0.240 56 W C 1.096 177.668 176.519 0.087 0.000 1.305 56 W CA 0.032 57.406 57.345 0.048 0.000 1.465 56 W CB -0.951 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 0.801 121.116 120.500 -0.308 0.000 2.265 57 R HA 0.063 4.409 4.340 0.011 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 -0.231 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 0.012 119.803 119.800 -0.015 0.000 2.217 58 Q HA 0.192 4.538 4.340 0.011 0.000 0.226 58 Q C 0.222 176.281 176.000 0.099 0.000 0.875 58 Q CA 0.138 55.960 55.803 0.032 0.000 0.974 58 Q CB 0.773 29.534 28.738 0.039 0.000 1.079 58 Q HN 0.312 nan 8.270 nan 0.000 0.463 59 G N 1.737 110.628 108.800 0.151 0.000 2.356 59 G HA2 -0.263 3.703 3.960 0.011 0.000 0.296 59 G HA3 -0.263 3.703 3.960 0.011 0.000 0.296 59 G C 0.072 175.105 174.900 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 -1.030 118.698 119.600 0.212 0.000 2.180 60 M HA 0.525 5.012 4.480 0.011 0.000 0.358 60 M C 0.885 177.378 176.300 0.322 0.000 1.233 60 M CA -0.708 54.699 55.300 0.179 0.000 1.114 60 M CB 0.977 33.586 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 0.203 0.000 2.640 61 F HA 0.173 4.706 4.527 0.010 0.000 0.285 61 F C 1.270 177.356 175.800 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 4.034 4.120 0.011 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 0.160 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 1.678 122.868 121.223 -0.055 0.000 2.081 63 L HA -0.110 4.236 4.340 0.011 0.000 0.212 63 L C 0.151 176.898 176.870 -0.205 0.000 1.080 63 L CA 2.474 57.188 54.840 -0.210 0.000 0.754 63 L CB -1.243 40.534 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 1.686 178.675 177.300 -0.518 0.000 1.153 64 P CA 1.491 64.210 63.100 -0.635 0.000 0.844 64 P CB -0.239 30.736 31.700 -1.208 0.000 0.787 65 F N -0.549 119.315 119.950 -0.144 0.000 2.408 65 F HA -0.022 4.511 4.527 0.010 0.000 0.300 65 F C 2.635 178.431 175.800 -0.007 0.000 1.090 65 F CA 1.175 59.166 58.000 -0.016 0.000 1.427 65 F CB -0.964 38.040 39.000 0.005 0.000 1.070 65 F HN -0.175 nan 8.300 nan 0.000 0.549 66 M N -1.331 118.343 119.600 0.124 0.000 2.476 66 M HA 0.047 4.533 4.480 0.011 0.000 0.262 66 M C 2.232 178.584 176.300 0.086 0.000 1.111 66 M CA 0.875 56.248 55.300 0.122 0.000 1.127 66 M CB -0.175 32.553 32.600 0.213 0.000 1.376 66 M HN 0.154 nan 8.290 nan 0.000 0.465 67 A N 0.010 122.864 122.820 0.058 0.000 1.984 67 A HA -0.022 4.305 4.320 0.011 0.000 0.214 67 A C 2.046 179.712 177.584 0.138 0.000 1.173 67 A CA 0.647 52.727 52.037 0.071 0.000 0.673 67 A CB -0.416 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 -0.025 4.321 4.340 0.011 0.000 0.234 68 R C 0.711 177.141 176.300 0.217 0.000 1.127 68 R CA 1.261 57.444 56.100 0.138 0.000 0.989 68 R CB -0.204 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 -1.795 119.540 121.223 0.187 0.000 2.808 69 L HA 0.339 4.685 4.340 0.011 0.000 0.246 69 L C 1.038 178.061 176.870 0.256 0.000 1.153 69 L CA 0.332 55.318 54.840 0.244 0.000 0.956 69 L CB 1.303 43.467 42.059 0.175 0.000 1.270 69 L HN 0.505 nan 8.230 nan 0.000 0.528 70 G N -0.306 108.588 108.800 0.157 0.000 3.180 70 G HA2 -0.215 3.751 3.960 0.011 0.000 0.197 70 G HA3 -0.215 3.751 3.960 0.011 0.000 0.197 70 G C 0.179 175.069 174.900 -0.017 0.000 1.149 70 G CA -0.367 44.774 45.100 0.069 0.000 0.847 70 G HN -0.088 nan 8.290 nan 0.000 0.469 71 V N 3.542 123.397 119.914 -0.098 0.000 2.420 71 V HA 0.403 4.530 4.120 0.011 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 0.537 32.102 31.823 -0.430 0.000 1.002 71 V HN 0.940 nan 8.190 nan 0.000 0.473 72 T N 0.760 115.080 114.554 -0.390 0.000 3.275 72 T HA 0.450 4.806 4.350 0.011 0.000 0.298 72 T C 0.380 175.016 174.700 -0.105 0.000 0.988 72 T CA 0.248 62.276 62.100 -0.120 0.000 0.936 72 T CB 0.492 69.460 68.868 0.166 0.000 1.159 72 T HN 0.757 nan 8.240 nan 0.000 0.519 73 G N 0.293 108.826 108.800 -0.446 0.000 2.658 73 G HA2 0.623 4.590 3.960 0.011 0.000 0.292 73 G HA3 0.623 4.590 3.960 0.011 0.000 0.292 73 G C -1.560 173.039 174.900 -0.501 0.000 1.320 73 G CA -0.762 44.141 45.100 -0.329 0.000 0.933 73 G HN 0.284 nan 8.290 nan 0.000 0.476 74 S N -1.093 114.212 115.700 -0.658 0.000 2.536 74 S HA 0.438 4.915 4.470 0.011 0.000 0.298 74 S C 0.165 174.598 174.600 -0.278 0.000 1.083 74 S CA -0.670 57.139 58.200 -0.653 0.000 0.995 74 S CB 0.857 63.217 63.200 -1.400 0.000 1.058 74 S HN 0.521 nan 8.310 nan 0.000 0.488 75 W N 2.373 123.537 121.300 -0.226 0.000 2.468 75 W HA -0.008 4.658 4.660 0.010 0.000 0.262 75 W C 2.332 178.793 176.519 -0.097 0.000 1.241 75 W CA 1.019 58.277 57.345 -0.145 0.000 1.232 75 W CB -1.331 28.065 29.460 -0.107 0.000 1.124 75 W HN 0.884 nan 8.180 nan 0.000 0.597 76 S N -1.016 114.753 115.700 0.116 0.000 2.603 76 S HA 0.308 4.785 4.470 0.011 0.000 0.220 76 S C 1.749 176.421 174.600 0.120 0.000 0.967 76 S CA 0.874 59.163 58.200 0.148 0.000 0.920 76 S CB 0.013 63.375 63.200 0.270 0.000 0.773 76 S HN 0.345 nan 8.310 nan 0.000 0.529 77 G N 1.048 109.853 108.800 0.007 0.000 2.339 77 G HA2 -0.213 3.754 3.960 0.011 0.000 0.209 77 G HA3 -0.213 3.754 3.960 0.011 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 1.881 123.255 121.300 0.123 0.000 2.030 78 W HA 0.722 5.388 4.660 0.010 0.000 0.360 78 W C 0.334 176.955 176.519 0.171 0.000 1.370 78 W CA 0.399 57.822 57.345 0.130 0.000 1.433 78 W CB 0.078 29.611 29.460 0.123 0.000 1.204 78 W HN 1.010 nan 8.180 nan 0.000 0.649 79 S N -0.353 115.670 115.700 0.538 0.000 2.537 79 S HA 0.275 4.751 4.470 0.011 0.000 0.270 79 S C 0.445 175.381 174.600 0.560 0.000 1.142 79 S CA -0.784 57.651 58.200 0.391 0.000 0.870 79 S CB 1.476 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 3.983 4.170 0.011 0.000 0.249 80 I C 2.871 179.230 176.117 0.402 0.000 1.102 80 I CA 2.562 64.152 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 -2.096 112.684 114.554 0.377 0.000 3.055 81 T HA 0.172 4.528 4.350 0.011 0.000 0.265 81 T C 1.551 176.399 174.700 0.247 0.000 1.111 81 T CA 0.920 63.213 62.100 0.322 0.000 1.118 81 T CB 0.006 69.018 68.868 0.240 0.000 0.909 81 T HN 0.544 nan 8.240 nan 0.000 0.501 82 G N 0.794 109.746 108.800 0.253 0.000 2.148 82 G HA2 -0.159 3.808 3.960 0.011 0.000 0.203 82 G HA3 -0.159 3.808 3.960 0.011 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 0.448 120.750 120.200 0.169 0.000 2.312 83 E HA 0.640 4.996 4.350 0.011 0.000 0.259 83 E C 0.578 177.259 176.600 0.135 0.000 1.122 83 E CA 0.170 56.648 56.400 0.129 0.000 0.922 83 E CB 0.934 30.697 29.700 0.105 0.000 1.109 83 E HN 0.365 nan 8.360 nan 0.000 0.442 84 T N -2.873 111.743 114.554 0.104 0.000 2.888 84 T HA 0.532 4.888 4.350 0.011 0.000 0.288 84 T C 0.953 175.697 174.700 0.073 0.000 1.063 84 T CA -0.410 61.750 62.100 0.099 0.000 1.010 84 T CB 1.476 70.398 68.868 0.090 0.000 1.214 84 T HN 0.696 nan 8.240 nan 0.000 0.533 85 G N 0.600 109.439 108.800 0.065 0.000 2.228 85 G HA2 -0.281 3.685 3.960 0.011 0.000 0.270 85 G HA3 -0.281 3.685 3.960 0.011 0.000 0.270 85 G C 0.204 175.130 174.900 0.043 0.000 0.976 85 G CA 0.550 45.679 45.100 0.049 0.000 0.636 85 G HN 1.346 nan 8.290 nan 0.000 0.542 86 I N -1.104 119.494 120.570 0.047 0.000 2.754 86 I HA 0.588 4.764 4.170 0.011 0.000 0.285 86 I C 0.021 176.155 176.117 0.029 0.000 1.166 86 I CA -1.335 59.987 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 6.674 127.090 120.400 0.027 0.000 2.464 87 D HA 0.304 4.950 4.640 0.011 0.000 0.243 87 D C -1.540 174.782 176.300 0.036 0.000 1.104 87 D CA -1.535 52.484 54.000 0.032 0.000 0.883 87 D CB 1.447 42.265 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 0.812 63.923 63.100 0.018 0.000 0.777 88 P CB 0.449 32.114 31.700 -0.059 0.000 0.794 89 G N 0.652 109.522 108.800 0.116 0.000 2.498 89 G HA2 -0.352 3.614 3.960 0.011 0.000 0.251 89 G HA3 -0.352 3.614 3.960 0.011 0.000 0.251 89 G C 0.262 175.312 174.900 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 0.385 4.917 4.527 0.009 0.000 0.293 90 F C 1.682 177.497 175.800 0.026 0.000 1.085 90 F CA 0.751 58.803 58.000 0.087 0.000 1.390 90 F CB 0.073 38.887 39.000 -0.311 0.000 1.077 90 F HN 0.344 nan 8.300 nan 0.000 0.517 91 W N 3.001 124.357 121.300 0.095 0.000 1.371 91 W HA 0.222 4.889 4.660 0.012 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 -0.533 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 -1.002 114.455 115.700 -0.406 0.000 2.722 92 S HA 0.386 4.862 4.470 0.011 0.000 0.292 92 S C 0.756 174.977 174.600 -0.631 0.000 1.135 92 S CA -0.787 57.044 58.200 -0.617 0.000 1.003 92 S CB 0.835 63.533 63.200 -0.836 0.000 1.067 92 S HN 0.200 nan 8.310 nan 0.000 0.546 93 F N 1.062 120.763 119.950 -0.415 0.000 2.115 93 F HA -0.118 4.415 4.527 0.010 0.000 0.300 93 F C 2.441 177.986 175.800 -0.426 0.000 1.092 93 F CA 1.999 59.805 58.000 -0.323 0.000 1.245 93 F CB -1.067 37.785 39.000 -0.247 0.000 0.995 93 F HN 0.590 nan 8.300 nan 0.000 0.481 94 E N 0.106 120.000 120.200 -0.512 0.000 2.058 94 E HA -0.124 4.232 4.350 0.011 0.000 0.194 94 E C 2.628 178.723 176.600 -0.841 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 0.613 108.660 108.800 -1.256 0.000 2.514 95 G HA2 -0.299 3.667 3.960 0.011 0.000 0.217 95 G HA3 -0.299 3.667 3.960 0.011 0.000 0.217 95 G C 1.769 176.577 174.900 -0.154 0.000 1.198 95 G CA 1.380 45.902 45.100 -0.964 0.000 0.780 95 G HN 0.202 nan 8.290 nan 0.000 0.565 96 V N 1.786 121.719 119.914 0.032 0.000 2.252 96 V HA -0.215 3.912 4.120 0.011 0.000 0.249 96 V C 3.380 179.589 176.094 0.192 0.000 1.056 96 V CA 2.348 64.794 62.300 0.243 0.000 1.022 96 V CB -1.185 30.690 31.823 0.087 0.000 0.641 96 V HN 0.523 nan 8.190 nan 0.000 0.445 97 A N -0.194 122.624 122.820 -0.004 0.000 1.908 97 A HA -0.233 4.093 4.320 0.011 0.000 0.218 97 A C 2.184 179.815 177.584 0.078 0.000 1.181 97 A CA 2.313 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 -0.125 121.136 121.223 0.064 0.000 1.970 98 L HA -0.119 4.228 4.340 0.011 0.000 0.212 98 L C 2.695 179.715 176.870 0.249 0.000 1.071 98 L CA 2.541 57.471 54.840 0.151 0.000 0.751 98 L CB -1.130 41.035 42.059 0.177 0.000 0.889 98 L HN 0.381 nan 8.230 nan 0.000 0.432 99 A N -0.936 122.098 122.820 0.357 0.000 1.881 99 A HA -0.364 3.963 4.320 0.011 0.000 0.219 99 A C 2.161 179.914 177.584 0.281 0.000 1.215 99 A CA 2.418 54.688 52.037 0.389 0.000 0.648 99 A CB -1.441 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 -0.415 118.751 119.070 0.161 0.000 2.353 100 H HA -0.118 4.444 4.556 0.010 0.000 0.298 100 H C 1.946 177.336 175.328 0.102 0.000 1.103 100 H CA 1.666 57.785 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 0.108 120.811 120.570 0.221 0.000 2.264 101 I HA -0.216 3.960 4.170 0.011 0.000 0.248 101 I C 2.211 178.404 176.117 0.126 0.000 1.111 101 I CA 0.967 62.352 61.300 0.141 0.000 1.382 101 I CB -0.946 37.117 38.000 0.106 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 3.924 4.120 0.011 0.000 0.244 102 V C 2.493 178.658 176.094 0.118 0.000 1.041 102 V CA 1.086 63.460 62.300 0.125 0.000 1.025 102 V CB -0.824 31.078 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 4.183 4.340 0.011 0.000 0.214 103 L C 2.483 179.420 176.870 0.110 0.000 1.097 103 L CA 2.381 57.274 54.840 0.089 0.000 0.764 103 L CB -0.788 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 -0.769 115.005 115.700 0.123 0.000 2.357 104 S HA -0.044 4.432 4.470 0.011 0.000 0.221 104 S C 2.061 176.754 174.600 0.156 0.000 1.031 104 S CA 0.921 59.202 58.200 0.134 0.000 0.982 104 S CB -0.786 62.485 63.200 0.118 0.000 0.853 104 S HN 0.621 nan 8.310 nan 0.000 0.458 105 G N 1.633 110.511 108.800 0.131 0.000 2.442 105 G HA2 -0.108 3.858 3.960 0.011 0.000 0.219 105 G HA3 -0.108 3.858 3.960 0.011 0.000 0.219 105 G C 1.425 176.465 174.900 0.232 0.000 1.141 105 G CA 0.934 46.124 45.100 0.151 0.000 0.763 105 G HN 0.515 nan 8.290 nan 0.000 0.554 106 L N -0.238 121.092 121.223 0.179 0.000 2.056 106 L HA 0.063 4.409 4.340 0.011 0.000 0.207 106 L C 2.855 179.836 176.870 0.185 0.000 1.078 106 L CA 0.460 55.399 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 -1.304 120.032 121.223 0.189 0.000 2.191 107 L HA -0.240 4.107 4.340 0.011 0.000 0.212 107 L C 2.487 179.501 176.870 0.240 0.000 1.103 107 L CA 1.036 55.992 54.840 0.194 0.000 0.769 107 L CB -0.471 41.693 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 4.311 4.527 0.010 0.000 0.295 108 F C 2.226 178.106 175.800 0.132 0.000 1.133 108 F CA 1.584 59.648 58.000 0.108 0.000 1.188 108 F CB -0.433 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 0.276 121.594 121.223 0.159 0.000 2.051 109 L HA -0.307 4.040 4.340 0.011 0.000 0.214 109 L C 2.777 179.700 176.870 0.088 0.000 1.076 109 L CA 1.457 56.336 54.840 0.064 0.000 0.758 109 L CB -1.489 40.671 42.059 0.168 0.000 0.890 109 L HN 0.337 nan 8.230 nan 0.000 0.433 110 A N 0.008 122.916 122.820 0.146 0.000 1.908 110 A HA -0.187 4.140 4.320 0.011 0.000 0.218 110 A C 2.559 180.323 177.584 0.301 0.000 1.181 110 A CA 1.859 54.027 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 0.425 nan 8.150 nan 0.000 0.445 111 A N -1.077 121.857 122.820 0.189 0.000 1.940 111 A HA -0.180 4.146 4.320 0.011 0.000 0.219 111 A C 2.309 179.985 177.584 0.154 0.000 1.176 111 A CA 1.733 53.881 52.037 0.184 0.000 0.631 111 A CB -1.251 17.794 19.000 0.076 0.000 0.814 111 A HN 0.610 nan 8.150 nan 0.000 0.446 112 C N -2.945 116.344 119.300 -0.018 0.000 2.436 112 C HA -0.128 4.339 4.460 0.011 0.000 0.277 112 C C 2.337 177.434 174.990 0.178 0.000 1.241 112 C CA 0.689 59.697 59.018 -0.017 0.000 1.721 112 C CB -1.610 26.027 27.740 -0.172 0.000 2.043 112 C HN 0.866 nan 8.230 nan 0.000 0.472 113 W N 0.592 121.929 121.300 0.062 0.000 2.335 113 W HA -0.173 4.493 4.660 0.009 0.000 0.311 113 W C 2.657 179.265 176.519 0.149 0.000 1.213 113 W CA 1.826 59.234 57.345 0.104 0.000 1.274 113 W CB -0.567 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 -1.304 118.136 119.070 0.618 0.000 2.545 114 H HA -0.176 4.387 4.556 0.011 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 29.252 29.762 0.473 0.000 1.377 114 H HN 0.462 nan 8.280 nan 0.000 0.581 115 W N 0.747 122.127 121.300 0.134 0.000 2.480 115 W HA -0.102 4.565 4.660 0.011 0.000 0.299 115 W C 1.688 178.213 176.519 0.010 0.000 1.187 115 W CA 0.699 58.081 57.345 0.062 0.000 1.347 115 W CB -0.355 29.106 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 3.869 4.120 0.011 0.000 0.246 116 V C 0.591 176.376 176.094 -0.514 0.000 1.047 116 V CA 1.464 63.571 62.300 -0.322 0.000 1.035 116 V CB -0.822 30.640 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 0.118 4.674 4.550 0.010 0.000 0.372 117 Y C 1.237 176.959 175.900 -0.296 0.000 1.238 117 Y CA -1.237 56.514 58.100 -0.581 0.000 1.713 117 Y CB -0.689 37.046 38.460 -1.207 0.000 1.809 117 Y HN 0.477 nan 8.280 nan 0.000 0.472 118 W N -1.110 120.120 121.300 -0.116 0.000 2.518 118 W HA 0.002 4.668 4.660 0.010 0.000 0.273 118 W C -0.136 176.434 176.519 0.086 0.000 1.247 118 W CA 0.613 57.924 57.345 -0.057 0.000 1.288 118 W CB -0.132 29.167 29.460 -0.268 0.000 1.107 118 W HN 0.270 nan 8.180 nan 0.000 0.586 119 D N 2.057 121.862 120.400 -0.991 0.000 3.134 119 D HA 0.218 4.865 4.640 0.011 0.000 0.248 119 D C 0.110 176.221 176.300 -0.314 0.000 1.273 119 D CA -0.032 53.451 54.000 -0.861 0.000 0.904 119 D CB -0.734 39.080 40.800 -1.644 0.000 1.089 119 D HN -0.022 nan 8.370 nan 0.000 0.478 120 L N 0.945 122.155 121.223 -0.021 0.000 2.439 120 L HA 0.138 4.485 4.340 0.011 0.000 0.269 120 L C 1.926 178.684 176.870 -0.186 0.000 1.179 120 L CA -0.437 54.343 54.840 -0.099 0.000 0.828 120 L CB 0.813 42.822 42.059 -0.084 0.000 1.106 120 L HN 0.133 nan 8.230 nan 0.000 0.467 121 E N 1.740 121.825 120.200 -0.193 0.000 2.153 121 E HA -0.244 4.112 4.350 0.011 0.000 0.194 121 E C 1.734 178.201 176.600 -0.223 0.000 0.988 121 E CA 0.989 57.293 56.400 -0.160 0.000 0.811 121 E CB -0.334 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 -0.037 120.943 121.223 -0.405 0.000 2.270 122 L HA -0.121 4.225 4.340 0.011 0.000 0.217 122 L C 1.225 177.850 176.870 -0.408 0.000 1.107 122 L CA 1.553 56.112 54.840 -0.468 0.000 0.772 122 L CB -0.482 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 -1.293 118.678 119.950 0.034 0.000 2.749 123 F HA 0.236 4.769 4.527 0.010 0.000 0.300 123 F C 1.186 177.005 175.800 0.032 0.000 1.103 123 F CA -0.416 57.608 58.000 0.040 0.000 1.342 123 F CB -0.395 38.640 39.000 0.058 0.000 1.098 123 F HN -0.193 nan 8.300 nan 0.000 0.586 124 R N 1.339 121.908 120.500 0.115 0.000 2.297 124 R HA 0.169 4.516 4.340 0.011 0.000 0.308 124 R C -0.795 175.532 176.300 0.045 0.000 1.029 124 R CA -0.522 55.625 56.100 0.078 0.000 0.929 124 R CB 0.898 31.221 30.300 0.038 0.000 1.046 124 R HN 0.024 nan 8.270 nan 0.000 0.461 125 D N 3.441 123.871 120.400 0.049 0.000 2.348 125 D HA 0.131 4.777 4.640 0.011 0.000 0.253 125 D C -1.495 174.815 176.300 0.016 0.000 1.161 125 D CA -1.691 52.329 54.000 0.033 0.000 0.876 125 D CB 1.286 42.109 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 1.117 178.417 177.300 -0.000 0.000 1.157 126 P CA 1.192 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 4.217 4.340 0.011 0.000 0.224 127 R C 2.026 178.330 176.300 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 -2.468 112.094 114.554 0.012 0.000 3.051 128 T HA 0.121 4.477 4.350 0.011 0.000 0.269 128 T C 1.531 176.242 174.700 0.019 0.000 1.127 128 T CA 0.894 63.003 62.100 0.016 0.000 1.107 128 T CB -0.706 68.175 68.868 0.022 0.000 0.898 128 T HN 0.666 nan 8.240 nan 0.000 0.517 129 G N 2.118 110.928 108.800 0.018 0.000 2.186 129 G HA2 -0.309 3.658 3.960 0.011 0.000 0.266 129 G HA3 -0.309 3.658 3.960 0.011 0.000 0.266 129 G C -0.141 174.778 174.900 0.031 0.000 0.982 129 G CA 0.640 45.751 45.100 0.018 0.000 0.670 129 G HN 0.985 nan 8.290 nan 0.000 0.533 130 E N 0.301 120.525 120.200 0.040 0.000 2.263 130 E HA 0.634 4.990 4.350 0.011 0.000 0.264 130 E C -2.740 173.904 176.600 0.072 0.000 0.923 130 E CA -2.773 53.660 56.400 0.055 0.000 0.802 130 E CB 2.180 31.909 29.700 0.047 0.000 1.228 130 E HN 0.102 nan 8.360 nan 0.000 0.417 131 P HA 0.024 nan 4.420 nan 0.000 0.261 131 P C -0.942 176.415 177.300 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 32.271 31.700 0.124 0.000 0.772 132 A N 3.689 126.579 122.820 0.117 0.000 2.594 132 A HA 0.631 4.957 4.320 0.011 0.000 0.296 132 A C -1.603 176.052 177.584 0.118 0.000 1.056 132 A CA -0.661 51.433 52.037 0.095 0.000 0.693 132 A CB 0.921 19.968 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 0.416 4.762 4.340 0.011 0.000 0.275 133 L C -0.786 176.132 176.870 0.080 0.000 0.987 133 L CA -0.737 54.163 54.840 0.099 0.000 0.828 133 L CB 2.131 44.238 42.059 0.080 0.000 1.249 133 L HN 0.815 nan 8.230 nan 0.000 0.409 134 D N 3.195 123.643 120.400 0.080 0.000 2.498 134 D HA 0.174 4.820 4.640 0.011 0.000 0.229 134 D C 1.119 177.464 176.300 0.075 0.000 1.188 134 D CA 0.017 54.067 54.000 0.084 0.000 1.028 134 D CB 0.483 41.325 40.800 0.071 0.000 1.087 134 D HN 0.406 nan 8.370 nan 0.000 0.510 135 L N 3.606 124.871 121.223 0.069 0.000 1.963 135 L HA -0.150 4.197 4.340 0.011 0.000 0.220 135 L C -0.407 176.522 176.870 0.099 0.000 1.076 135 L CA 1.262 56.136 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 -0.252 nan 4.420 nan 0.000 0.218 136 P C 1.486 178.916 177.300 0.217 0.000 1.154 136 P CA 1.657 64.881 63.100 0.205 0.000 0.872 136 P CB -0.009 31.824 31.700 0.222 0.000 0.790 137 K N -1.304 119.174 120.400 0.130 0.000 2.116 137 K HA -0.019 4.308 4.320 0.011 0.000 0.203 137 K C 2.093 178.702 176.600 0.015 0.000 1.052 137 K CA 1.035 57.367 56.287 0.076 0.000 0.952 137 K CB -0.350 32.175 32.500 0.040 0.000 0.729 137 K HN 0.073 nan 8.250 nan 0.000 0.446 138 M N 0.025 119.616 119.600 -0.015 0.000 2.065 138 M HA -0.204 4.282 4.480 0.011 0.000 0.259 138 M C 2.092 178.262 176.300 -0.217 0.000 1.071 138 M CA 1.742 56.930 55.300 -0.187 0.000 1.109 138 M CB -0.518 31.983 32.600 -0.165 0.000 1.313 138 M HN 0.156 nan 8.290 nan 0.000 0.408 139 F N 1.113 120.980 119.950 -0.138 0.000 2.115 139 F HA -0.189 4.344 4.527 0.010 0.000 0.300 139 F C 2.078 177.872 175.800 -0.011 0.000 1.092 139 F CA 1.884 59.844 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 0.111 nan 8.300 nan 0.000 0.481 140 G N 0.920 109.581 108.800 -0.232 0.000 2.459 140 G HA2 -0.234 3.733 3.960 0.011 0.000 0.217 140 G HA3 -0.234 3.733 3.960 0.011 0.000 0.217 140 G C 1.843 176.676 174.900 -0.112 0.000 1.183 140 G CA 1.284 46.264 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 2.052 141 I HA -0.264 3.912 4.170 0.011 0.000 0.235 141 I C 2.549 178.757 176.117 0.153 0.000 1.046 141 I CA 1.833 63.144 61.300 0.019 0.000 1.308 141 I CB -0.843 37.139 38.000 -0.031 0.000 1.031 141 I HN 0.278 nan 8.210 nan 0.000 0.395 142 H N 0.157 119.248 119.070 0.036 0.000 2.289 142 H HA -0.263 4.299 4.556 0.011 0.000 0.294 142 H C 2.158 177.485 175.328 -0.003 0.000 1.095 142 H CA 1.523 57.596 56.048 0.041 0.000 1.256 142 H CB -0.182 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 0.815 122.023 121.223 -0.025 0.000 2.127 143 L HA -0.187 4.159 4.340 0.011 0.000 0.211 143 L C 2.113 178.983 176.870 -0.000 0.000 1.089 143 L CA 1.327 56.091 54.840 -0.127 0.000 0.757 143 L CB -0.803 40.927 42.059 -0.549 0.000 0.899 143 L HN 0.189 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 -0.166 4.368 4.527 0.010 0.000 0.297 144 F C 2.032 177.852 175.800 0.033 0.000 1.103 144 F CA 1.720 59.718 58.000 -0.004 0.000 1.248 144 F CB -0.294 38.707 39.000 0.002 0.000 0.999 144 F HN 0.060 nan 8.300 nan 0.000 0.475 145 L N 0.056 121.336 121.223 0.096 0.000 2.046 145 L HA -0.173 4.174 4.340 0.011 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 0.410 123.232 122.820 0.002 0.000 1.841 146 A HA -0.163 4.163 4.320 0.011 0.000 0.216 146 A C 2.433 180.020 177.584 0.005 0.000 1.199 146 A CA 1.898 53.944 52.037 0.015 0.000 0.621 146 A CB -1.545 17.475 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 -0.182 3.785 3.960 0.011 0.000 0.220 147 G HA3 -0.182 3.785 3.960 0.011 0.000 0.220 147 G C 1.459 176.350 174.900 -0.014 0.000 1.130 147 G CA 1.320 46.406 45.100 -0.023 0.000 0.760 147 G HN 0.516 nan 8.290 nan 0.000 0.557 148 L N 0.032 121.156 121.223 -0.165 0.000 2.046 148 L HA 0.091 4.437 4.340 0.011 0.000 0.208 148 L C 2.436 179.372 176.870 0.110 0.000 1.077 148 L CA 1.613 56.375 54.840 -0.130 0.000 0.747 148 L CB -0.592 41.255 42.059 -0.353 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 2.095 149 L HA -0.105 4.241 4.340 0.011 0.000 0.204 149 L C 2.648 179.643 176.870 0.208 0.000 1.080 149 L CA 1.805 56.725 54.840 0.132 0.000 0.759 149 L CB -0.942 41.160 42.059 0.072 0.000 0.914 149 L HN 0.503 nan 8.230 nan 0.000 0.439 150 C N -0.550 118.871 119.300 0.201 0.000 2.413 150 C HA -0.249 4.217 4.460 0.011 0.000 0.277 150 C C 2.746 177.937 174.990 0.336 0.000 1.228 150 C CA 1.176 60.365 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 2.088 122.132 119.950 0.156 0.000 2.025 151 F HA 0.003 4.536 4.527 0.011 0.000 0.297 151 F C 2.267 178.211 175.800 0.241 0.000 1.132 151 F CA 2.431 60.525 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 -0.262 108.659 108.800 0.202 0.000 2.513 152 G HA2 -0.386 3.580 3.960 0.011 0.000 0.219 152 G HA3 -0.386 3.580 3.960 0.011 0.000 0.219 152 G C 1.690 176.750 174.900 0.266 0.000 1.160 152 G CA 1.026 46.293 45.100 0.278 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 4.493 4.527 0.011 0.000 0.298 153 F C 2.544 178.333 175.800 -0.019 0.000 1.112 153 F CA 1.788 59.807 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 -0.647 108.007 108.800 -0.244 0.000 2.394 154 G HA2 -0.102 3.865 3.960 0.011 0.000 0.215 154 G HA3 -0.102 3.865 3.960 0.011 0.000 0.215 154 G C 1.834 176.520 174.900 -0.358 0.000 1.165 154 G CA 0.840 45.715 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 4.480 4.320 0.011 0.000 0.216 155 A C 2.112 179.266 177.584 -0.717 0.000 1.186 155 A CA 1.557 53.173 52.037 -0.701 0.000 0.620 155 A CB -0.407 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 -2.936 116.926 119.950 -0.147 0.000 2.553 156 F HA 0.180 4.714 4.527 0.011 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 -0.459 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 0.699 119.767 119.070 -0.003 0.000 2.260 157 H HA 0.012 4.574 4.556 0.010 0.000 0.304 157 H C 2.096 177.285 175.328 -0.232 0.000 1.059 157 H CA 1.918 57.898 56.048 -0.113 0.000 1.305 157 H CB -0.240 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 0.241 121.336 121.223 -0.213 0.000 2.131 158 L HA -0.133 4.213 4.340 0.011 0.000 0.210 158 L C 2.478 179.230 176.870 -0.198 0.000 1.092 158 L CA 1.646 56.338 54.840 -0.248 0.000 0.759 158 L CB -0.755 41.040 42.059 -0.440 0.000 0.903 158 L HN 0.565 nan 8.230 nan 0.000 0.435 159 T N -3.924 110.511 114.554 -0.200 0.000 3.043 159 T HA 0.155 4.511 4.350 0.011 0.000 0.263 159 T C 1.592 176.220 174.700 -0.121 0.000 1.094 159 T CA 0.711 62.712 62.100 -0.165 0.000 1.127 159 T CB 0.428 69.183 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 2.195 160 G HA2 -0.266 3.700 3.960 0.011 0.000 0.246 160 G HA3 -0.266 3.700 3.960 0.011 0.000 0.246 160 G C 0.622 175.517 174.900 -0.009 0.000 0.984 160 G CA 0.272 45.323 45.100 -0.081 0.000 0.633 160 G HN 0.443 nan 8.290 nan 0.000 0.525 161 L N -0.965 120.259 121.223 0.003 0.000 1.978 161 L HA 0.178 4.524 4.340 0.011 0.000 0.218 161 L C 1.541 178.580 176.870 0.281 0.000 1.075 161 L CA 2.698 57.592 54.840 0.090 0.000 0.767 161 L CB -0.323 41.733 42.059 -0.005 0.000 0.890 161 L HN 0.463 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 5.124 4.527 0.010 0.000 0.336 162 F C 0.107 175.942 175.800 0.059 0.000 1.491 162 F CA -0.250 57.834 58.000 0.139 0.000 1.114 162 F CB 0.329 39.460 39.000 0.218 0.000 1.468 162 F HN -0.016 nan 8.300 nan 0.000 0.579 163 G N 2.330 111.017 108.800 -0.188 0.000 2.349 163 G HA2 0.266 4.232 3.960 0.011 0.000 0.294 163 G HA3 0.266 4.232 3.960 0.011 0.000 0.294 163 G C -2.679 172.010 174.900 -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 2.244 65.178 63.100 -0.277 0.000 0.856 164 P CB 0.608 32.166 31.700 -0.237 0.000 0.786 165 G N 0.535 109.191 108.800 -0.240 0.000 2.301 165 G HA2 0.164 4.130 3.960 0.011 0.000 0.194 165 G HA3 0.164 4.130 3.960 0.011 0.000 0.194 165 G C -0.863 174.052 174.900 0.024 0.000 1.266 165 G CA -0.009 45.028 45.100 -0.105 0.000 1.210 165 G HN 0.613 nan 8.290 nan 0.000 0.524 166 M N -2.292 117.320 119.600 0.020 0.000 2.813 166 M HA 0.646 5.132 4.480 0.011 0.000 0.270 166 M C -1.259 175.104 176.300 0.104 0.000 1.267 166 M CA -0.994 54.368 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 2.647 123.956 121.300 0.015 0.000 2.303 167 W HA 0.569 5.236 4.660 0.010 0.000 0.318 167 W C -2.042 174.483 176.519 0.009 0.000 1.362 167 W CA 0.072 57.425 57.345 0.013 0.000 1.234 167 W CB 1.081 30.548 29.460 0.012 0.000 1.248 167 W HN 0.518 nan 8.180 nan 0.000 0.546 168 V N 5.266 124.977 119.914 -0.339 0.000 2.760 168 V HA 0.425 4.551 4.120 0.011 0.000 0.309 168 V C -0.338 175.606 176.094 -0.251 0.000 1.077 168 V CA -0.621 61.578 62.300 -0.168 0.000 0.910 168 V CB 1.895 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 1.731 117.411 115.700 -0.035 0.000 2.651 169 S HA 0.509 4.985 4.470 0.011 0.000 0.279 169 S C -1.185 173.432 174.600 0.029 0.000 1.148 169 S CA -0.768 57.444 58.200 0.020 0.000 0.837 169 S CB 1.693 65.018 63.200 0.209 0.000 1.138 169 S HN 0.949 nan 8.310 nan 0.000 0.478 170 D N 1.385 121.812 120.400 0.045 0.000 2.356 170 D HA 0.189 4.835 4.640 0.011 0.000 0.258 170 D C -1.873 174.417 176.300 -0.016 0.000 1.279 170 D CA -0.845 53.173 54.000 0.030 0.000 1.016 170 D CB -0.660 40.186 40.800 0.076 0.000 1.107 170 D HN 0.270 nan 8.370 nan 0.000 0.544 171 P HA 0.016 nan 4.420 nan 0.000 0.242 171 P C -0.479 176.430 177.300 -0.651 0.000 1.197 171 P CA 0.824 63.710 63.100 -0.355 0.000 0.765 171 P CB -0.112 31.333 31.700 -0.424 0.000 0.936 172 Y N -1.531 118.766 120.300 -0.005 0.000 2.685 172 Y HA 0.400 4.957 4.550 0.011 0.000 0.257 172 Y C 1.157 177.093 175.900 0.060 0.000 1.053 172 Y CA -0.997 57.106 58.100 0.006 0.000 1.106 172 Y CB -0.151 38.304 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 3.714 3.960 0.011 0.000 0.251 173 G HA3 -0.253 3.714 3.960 0.011 0.000 0.251 173 G C 0.321 175.445 174.900 0.374 0.000 0.780 173 G CA 1.185 46.420 45.100 0.225 0.000 1.183 173 G HN 0.634 nan 8.290 nan 0.000 0.345 174 L N -0.238 121.175 121.223 0.317 0.000 3.066 174 L HA 0.160 4.506 4.340 0.011 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 0.279 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 -0.388 114.278 114.554 0.186 0.000 2.969 175 T HA 0.182 4.539 4.350 0.011 0.000 0.250 175 T C 1.112 175.844 174.700 0.053 0.000 1.021 175 T CA 0.393 62.559 62.100 0.109 0.000 1.003 175 T CB 0.276 69.180 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 4.170 3.960 0.011 0.000 0.228 176 G HA3 0.204 4.170 3.960 0.011 0.000 0.228 176 G C 0.145 174.660 174.900 -0.642 0.000 1.016 176 G CA 0.686 45.718 45.100 -0.113 0.000 0.898 176 G HN 0.924 nan 8.290 nan 0.000 0.463 177 S N -1.268 113.477 115.700 -1.592 0.000 2.683 177 S HA 0.356 4.833 4.470 0.011 0.000 0.264 177 S C -1.055 172.867 174.600 -1.130 0.000 1.066 177 S CA -0.445 56.883 58.200 -1.453 0.000 0.846 177 S CB 0.915 63.788 63.200 -0.545 0.000 1.114 177 S HN 1.217 nan 8.310 nan 0.000 0.476 178 V N 2.358 121.956 119.914 -0.526 0.000 2.406 178 V HA 0.612 4.739 4.120 0.011 0.000 0.272 178 V C -0.399 175.582 176.094 -0.189 0.000 1.043 178 V CA 0.105 62.275 62.300 -0.216 0.000 0.915 178 V CB 0.806 32.605 31.823 -0.039 0.000 0.988 178 V HN 0.708 nan 8.190 nan 0.000 0.466 179 Q N 4.913 124.617 119.800 -0.161 0.000 2.377 179 Q HA 0.416 4.762 4.340 0.011 0.000 0.279 179 Q C -2.849 173.088 176.000 -0.106 0.000 1.049 179 Q CA -1.971 53.754 55.803 -0.131 0.000 0.825 179 Q CB 2.866 31.516 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 -0.816 176.425 177.300 -0.099 0.000 1.220 180 P CA -0.044 62.998 63.100 -0.097 0.000 0.768 180 P CB 0.597 32.248 31.700 -0.082 0.000 0.848 181 V N 3.418 123.263 119.914 -0.115 0.000 2.417 181 V HA 0.583 4.709 4.120 0.011 0.000 0.291 181 V C 0.432 176.440 176.094 -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 33.071 31.823 -0.126 0.000 0.985 181 V HN 0.587 nan 8.190 nan 0.000 0.436 182 A N 6.922 129.660 122.820 -0.137 0.000 2.354 182 A HA 0.756 5.082 4.320 0.011 0.000 0.269 182 A C -2.179 175.255 177.584 -0.251 0.000 1.109 182 A CA -1.310 50.635 52.037 -0.154 0.000 0.800 182 A CB 0.075 19.012 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 -0.437 176.386 177.300 -0.795 0.000 1.264 183 P CA 0.396 63.077 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 -0.876 118.671 120.200 -1.087 0.000 2.558 184 E HA 0.139 4.495 4.350 0.011 0.000 0.345 184 E C -1.166 175.088 176.600 -0.578 0.000 0.928 184 E CA -0.174 55.848 56.400 -0.630 0.000 0.774 184 E CB -0.353 29.151 29.700 -0.326 0.000 1.462 184 E HN 0.382 nan 8.360 nan 0.000 0.387 185 W N 3.114 124.441 121.300 0.045 0.000 3.211 185 W HA 0.371 5.037 4.660 0.011 0.000 0.292 185 W C 0.981 177.578 176.519 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 2.542 111.493 108.800 0.252 0.000 2.590 186 G HA2 0.013 3.980 3.960 0.011 0.000 0.276 186 G HA3 0.013 3.980 3.960 0.011 0.000 0.276 186 G C -0.760 174.275 174.900 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 1.403 64.603 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 0.153 120.630 120.400 0.129 0.000 2.411 188 D HA -0.071 4.575 4.640 0.011 0.000 0.226 188 D C 1.861 178.210 176.300 0.082 0.000 0.988 188 D CA 0.855 54.912 54.000 0.095 0.000 0.938 188 D CB -0.776 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 -1.351 107.517 108.800 0.114 0.000 2.920 189 G HA2 -0.063 3.904 3.960 0.011 0.000 0.208 189 G HA3 -0.063 3.904 3.960 0.011 0.000 0.208 189 G C 0.568 175.367 174.900 -0.168 0.000 1.159 189 G CA -0.163 44.911 45.100 -0.042 0.000 0.784 189 G HN 0.254 nan 8.290 nan 0.000 0.535 190 F N 0.294 120.234 119.950 -0.017 0.000 2.653 190 F HA 0.307 4.841 4.527 0.011 0.000 0.304 190 F C 1.002 176.776 175.800 -0.044 0.000 1.092 190 F CA -1.049 56.940 58.000 -0.018 0.000 1.279 190 F CB 0.356 39.356 39.000 0.000 0.000 1.044 190 F HN 0.018 nan 8.300 nan 0.000 0.564 191 N N 3.208 121.942 118.700 0.056 0.000 2.411 191 N HA 0.053 4.800 4.740 0.011 0.000 0.259 191 N C -1.557 173.894 175.510 -0.099 0.000 1.103 191 N CA -1.498 51.554 53.050 0.002 0.000 0.954 191 N CB 1.330 39.839 38.487 0.037 0.000 1.085 191 N HN -0.021 nan 8.380 nan 0.000 0.485 192 P HA -0.174 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 1.437 64.314 63.100 -0.371 0.000 0.834 192 P CB -0.030 31.338 31.700 -0.554 0.000 0.783 193 Y N -0.810 119.456 120.300 -0.057 0.000 2.462 193 Y HA 0.171 4.728 4.550 0.011 0.000 0.293 193 Y C 1.184 177.050 175.900 -0.057 0.000 1.195 193 Y CA -0.449 57.614 58.100 -0.061 0.000 1.276 193 Y CB -0.707 37.705 38.460 -0.079 0.000 1.082 193 Y HN 0.022 nan 8.280 nan 0.000 0.514 194 N N 0.882 119.596 118.700 0.023 0.000 2.446 194 N HA 0.156 4.902 4.740 0.011 0.000 0.265 194 N C -2.367 173.113 175.510 -0.049 0.000 0.975 194 N CA -1.837 51.209 53.050 -0.007 0.000 0.928 194 N CB 2.028 40.502 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 1.271 178.506 177.300 -0.107 0.000 1.150 195 P CA 1.159 64.223 63.100 -0.060 0.000 0.843 195 P CB 0.098 31.769 31.700 -0.049 0.000 0.787 196 G N -0.389 108.335 108.800 -0.128 0.000 2.507 196 G HA2 -0.269 3.698 3.960 0.011 0.000 0.221 196 G HA3 -0.269 3.698 3.960 0.011 0.000 0.221 196 G C 1.739 176.499 174.900 -0.234 0.000 1.119 196 G CA 1.057 46.040 45.100 -0.194 0.000 0.751 196 G HN 0.399 nan 8.290 nan 0.000 0.574 197 G N 0.071 108.756 108.800 -0.191 0.000 2.421 197 G HA2 -0.049 3.917 3.960 0.011 0.000 0.217 197 G HA3 -0.049 3.917 3.960 0.011 0.000 0.217 197 G C 1.660 176.473 174.900 -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 0.635 120.496 119.914 -0.088 0.000 2.667 198 V HA -0.113 4.013 4.120 0.011 0.000 0.252 198 V C 2.838 178.979 176.094 0.079 0.000 1.065 198 V CA 1.195 63.510 62.300 0.026 0.000 1.083 198 V CB 0.093 31.908 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 4.035 4.120 0.011 0.000 0.240 199 V C 2.750 178.785 176.094 -0.099 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 -0.241 0.000 0.648 199 V HN 0.470 nan 8.190 nan 0.000 0.453 200 A N 0.385 123.057 122.820 -0.247 0.000 1.896 200 A HA -0.412 3.915 4.320 0.011 0.000 0.220 200 A C 2.122 179.692 177.584 -0.025 0.000 1.206 200 A CA 3.028 54.900 52.037 -0.276 0.000 0.647 200 A CB -1.207 17.467 19.000 -0.544 0.000 0.828 200 A HN 0.855 nan 8.150 nan 0.000 0.455 201 H N -0.860 118.154 119.070 -0.093 0.000 2.267 201 H HA -0.267 4.295 4.556 0.010 0.000 0.291 201 H C 1.922 177.242 175.328 -0.015 0.000 1.094 201 H CA 2.713 58.717 56.048 -0.073 0.000 1.227 201 H CB -0.487 29.196 29.762 -0.131 0.000 1.351 201 H HN 0.677 nan 8.280 nan 0.000 0.483 202 H N -0.827 118.200 119.070 -0.070 0.000 2.456 202 H HA -0.004 4.559 4.556 0.011 0.000 0.296 202 H C 2.365 177.688 175.328 -0.008 0.000 1.079 202 H CA 1.444 57.474 56.048 -0.031 0.000 1.322 202 H CB -0.060 29.779 29.762 0.128 0.000 1.388 202 H HN 0.423 nan 8.280 nan 0.000 0.538 203 I N -0.366 120.275 120.570 0.119 0.000 2.277 203 I HA -0.143 4.033 4.170 0.011 0.000 0.243 203 I C 2.538 178.821 176.117 0.276 0.000 1.094 203 I CA 0.819 62.244 61.300 0.210 0.000 1.393 203 I CB -0.249 37.878 38.000 0.212 0.000 1.078 203 I HN 0.295 nan 8.210 nan 0.000 0.417 204 A N 0.925 123.851 122.820 0.178 0.000 1.841 204 A HA -0.116 4.210 4.320 0.011 0.000 0.214 204 A C 2.529 180.132 177.584 0.031 0.000 1.195 204 A CA 1.788 53.907 52.037 0.135 0.000 0.611 204 A CB -1.072 18.023 19.000 0.159 0.000 0.835 204 A HN 0.386 nan 8.150 nan 0.000 0.443 205 A N -0.519 122.222 122.820 -0.132 0.000 1.978 205 A HA 0.076 4.403 4.320 0.011 0.000 0.220 205 A C 2.375 179.923 177.584 -0.059 0.000 1.170 205 A CA 2.069 53.998 52.037 -0.180 0.000 0.636 205 A CB -1.413 17.269 19.000 -0.530 0.000 0.810 205 A HN 0.772 nan 8.150 nan 0.000 0.448 206 G N 0.122 108.932 108.800 0.015 0.000 2.433 206 G HA2 -0.209 3.757 3.960 0.011 0.000 0.216 206 G HA3 -0.209 3.757 3.960 0.011 0.000 0.216 206 G C 1.541 176.493 174.900 0.086 0.000 1.186 206 G CA 1.147 46.327 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 3.994 4.170 0.011 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 1.273 121.200 119.914 0.020 0.000 2.439 208 V HA -0.292 3.834 4.120 0.011 0.000 0.253 208 V C 2.485 178.596 176.094 0.029 0.000 1.074 208 V CA 2.264 64.579 62.300 0.026 0.000 1.076 208 V CB -1.416 30.425 31.823 0.029 0.000 0.664 208 V HN 0.645 nan 8.190 nan 0.000 0.461 209 G N -0.611 108.199 108.800 0.017 0.000 2.403 209 G HA2 -0.151 3.815 3.960 0.011 0.000 0.216 209 G HA3 -0.151 3.815 3.960 0.011 0.000 0.216 209 G C 1.520 176.419 174.900 -0.002 0.000 1.154 209 G CA 0.766 45.875 45.100 0.015 0.000 0.784 209 G HN 0.503 nan 8.290 nan 0.000 0.538 210 I N 0.300 120.841 120.570 -0.048 0.000 2.286 210 I HA -0.076 4.100 4.170 0.011 0.000 0.245 210 I C 2.624 178.811 176.117 0.117 0.000 1.104 210 I CA 0.599 61.844 61.300 -0.092 0.000 1.397 210 I CB -0.241 37.641 38.000 -0.197 0.000 1.072 210 I HN 0.138 nan 8.210 nan 0.000 0.417 211 I N 1.189 121.808 120.570 0.083 0.000 2.058 211 I HA -0.329 3.847 4.170 0.011 0.000 0.235 211 I C 2.889 179.109 176.117 0.172 0.000 1.053 211 I CA 1.655 63.027 61.300 0.120 0.000 1.313 211 I CB -0.551 37.494 38.000 0.075 0.000 1.039 211 I HN 0.176 nan 8.210 nan 0.000 0.396 212 A N 0.876 123.778 122.820 0.137 0.000 1.958 212 A HA -0.238 4.088 4.320 0.011 0.000 0.221 212 A C 2.354 180.106 177.584 0.280 0.000 1.178 212 A CA 2.261 54.403 52.037 0.175 0.000 0.642 212 A CB -1.619 17.459 19.000 0.129 0.000 0.816 212 A HN 0.574 nan 8.150 nan 0.000 0.453 213 G N -0.254 108.674 108.800 0.213 0.000 2.433 213 G HA2 -0.179 3.787 3.960 0.011 0.000 0.216 213 G HA3 -0.179 3.787 3.960 0.011 0.000 0.216 213 G C 1.550 176.597 174.900 0.245 0.000 1.186 213 G CA 1.014 46.237 45.100 0.205 0.000 0.779 213 G HN 0.452 nan 8.290 nan 0.000 0.543 214 L N -0.555 120.827 121.223 0.264 0.000 1.997 214 L HA -0.144 4.202 4.340 0.011 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 0.119 0.000 0.890 214 L HN 0.288 nan 8.230 nan 0.000 0.434 215 F N 0.384 120.349 119.950 0.025 0.000 2.043 215 F HA -0.358 4.175 4.527 0.010 0.000 0.297 215 F C 2.765 178.524 175.800 -0.067 0.000 1.118 215 F CA 2.024 59.997 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 0.134 nan 8.300 nan 0.000 0.482 216 H N 0.319 119.661 119.070 0.453 0.000 2.518 216 H HA -0.044 4.518 4.556 0.011 0.000 0.289 216 H C 2.228 177.606 175.328 0.084 0.000 1.051 216 H CA 1.655 57.887 56.048 0.307 0.000 1.280 216 H CB -0.248 29.682 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 4.049 4.170 0.011 0.000 0.264 217 I C 1.813 177.901 176.117 -0.049 0.000 1.204 217 I CA 0.483 61.787 61.300 0.007 0.000 1.485 217 I CB 0.204 38.166 38.000 -0.063 0.000 1.103 217 I HN 0.109 nan 8.210 nan 0.000 0.446 218 L N -0.432 120.724 121.223 -0.110 0.000 2.416 218 L HA 0.183 4.529 4.340 0.011 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 -0.467 41.474 42.059 -0.197 0.000 1.064 218 L HN -0.193 nan 8.230 nan 0.000 0.490 219 V N 2.376 122.020 119.914 -0.450 0.000 2.673 219 V HA 0.032 4.159 4.120 0.011 0.000 0.303 219 V C 0.432 176.407 176.094 -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 31.422 31.823 -1.033 0.000 0.934 219 V HN 0.261 nan 8.190 nan 0.000 0.487 220 R N 5.030 125.475 120.500 -0.092 0.000 2.549 220 R HA 0.444 4.790 4.340 0.011 0.000 0.267 220 R C -2.322 174.022 176.300 0.073 0.000 1.045 220 R CA -2.233 53.875 56.100 0.015 0.000 1.115 220 R CB 0.327 30.625 30.300 -0.004 0.000 1.121 220 R HN 0.513 nan 8.270 nan 0.000 0.543 221 P HA 0.207 nan 4.420 nan 0.000 0.276 221 P C -2.471 174.907 177.300 0.130 0.000 1.253 221 P CA -1.265 61.946 63.100 0.184 0.000 0.766 221 P CB -0.161 31.702 31.700 0.271 0.000 0.845 222 P HA -0.049 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 0.184 63.327 63.100 0.073 0.000 0.763 222 P CB 0.267 32.009 31.700 0.071 0.000 0.776 223 Q N 4.568 124.391 119.800 0.039 0.000 2.124 223 Q HA -0.355 3.991 4.340 0.011 0.000 0.215 223 Q C 1.639 177.683 176.000 0.074 0.000 1.015 223 Q CA 2.039 57.861 55.803 0.032 0.000 0.890 223 Q CB -0.105 28.628 28.738 -0.009 0.000 0.966 223 Q HN 0.327 nan 8.270 nan 0.000 0.412 224 R N 0.020 120.550 120.500 0.050 0.000 2.134 224 R HA -0.185 4.161 4.340 0.011 0.000 0.248 224 R C 2.476 178.810 176.300 0.056 0.000 1.143 224 R CA 1.700 57.826 56.100 0.043 0.000 0.957 224 R CB -1.169 29.149 30.300 0.030 0.000 0.867 224 R HN 0.429 nan 8.270 nan 0.000 0.441 225 L N -1.336 119.932 121.223 0.074 0.000 2.007 225 L HA -0.142 4.205 4.340 0.011 0.000 0.205 225 L C 2.475 179.399 176.870 0.089 0.000 1.073 225 L CA 1.218 56.098 54.840 0.067 0.000 0.744 225 L CB -0.848 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 1.220 121.522 120.300 0.004 0.000 2.219 226 Y HA -0.379 4.178 4.550 0.011 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 -0.715 119.801 120.400 0.194 0.000 2.044 227 K HA -0.021 4.305 4.320 0.011 0.000 0.204 227 K C 2.436 179.040 176.600 0.007 0.000 1.045 227 K CA 0.770 57.118 56.287 0.102 0.000 0.951 227 K CB -0.435 32.111 32.500 0.077 0.000 0.738 227 K HN 0.296 nan 8.250 nan 0.000 0.443 228 A N 1.934 124.753 122.820 -0.001 0.000 1.849 228 A HA -0.146 4.180 4.320 0.011 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 -0.963 18.023 19.000 -0.022 0.000 0.834 228 A HN 0.226 nan 8.150 nan 0.000 0.447 229 L N -0.446 120.735 121.223 -0.069 0.000 2.855 229 L HA 0.111 4.458 4.340 0.011 0.000 0.245 229 L C 0.318 177.096 176.870 -0.153 0.000 1.276 229 L CA -0.429 54.350 54.840 -0.101 0.000 1.118 229 L CB -0.598 41.404 42.059 -0.094 0.000 1.444 229 L HN 0.256 nan 8.230 nan 0.000 0.440 230 R N 0.235 120.645 120.500 -0.150 0.000 2.719 230 R HA -0.211 4.135 4.340 0.011 0.000 0.213 230 R C 0.488 176.611 176.300 -0.294 0.000 0.770 230 R CA 0.731 56.720 56.100 -0.186 0.000 0.522 230 R CB -1.689 28.526 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 0.049 4.536 4.480 0.011 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 0.002 32.138 32.600 -0.774 0.000 1.230 231 M HN 0.491 nan 8.290 nan 0.000 0.381 232 G N 1.230 109.778 108.800 -0.421 0.000 2.212 232 G HA2 -0.287 3.679 3.960 0.011 0.000 0.267 232 G HA3 -0.287 3.679 3.960 0.011 0.000 0.267 232 G C -0.258 174.578 174.900 -0.107 0.000 1.002 232 G CA 0.831 45.835 45.100 -0.161 0.000 0.729 232 G HN 0.810 nan 8.290 nan 0.000 0.517 233 N N -0.493 118.122 118.700 -0.142 0.000 2.609 233 N HA 0.341 5.088 4.740 0.011 0.000 0.268 233 N C 0.964 176.414 175.510 -0.101 0.000 1.106 233 N CA -0.402 52.586 53.050 -0.104 0.000 0.823 233 N CB 0.691 39.108 38.487 -0.117 0.000 1.263 233 N HN 0.102 nan 8.380 nan 0.000 0.533 234 I N 1.649 122.175 120.570 -0.074 0.000 2.315 234 I HA -0.186 3.991 4.170 0.011 0.000 0.251 234 I C 1.409 177.476 176.117 -0.084 0.000 1.125 234 I CA 1.282 62.541 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 -0.408 119.734 120.200 -0.098 0.000 2.482 235 E HA -0.181 4.176 4.350 0.011 0.000 0.200 235 E C 1.382 177.909 176.600 -0.122 0.000 1.147 235 E CA 0.671 56.996 56.400 -0.125 0.000 0.912 235 E CB 0.031 29.658 29.700 -0.123 0.000 0.938 235 E HN 0.374 nan 8.360 nan 0.000 0.519 236 T N -1.996 112.494 114.554 -0.107 0.000 2.955 236 T HA 0.064 4.420 4.350 0.011 0.000 0.251 236 T C 1.470 176.120 174.700 -0.083 0.000 1.002 236 T CA 0.157 62.199 62.100 -0.097 0.000 0.970 236 T CB 0.370 69.168 68.868 -0.117 0.000 1.091 236 T HN 0.037 nan 8.240 nan 0.000 0.495 237 V N 2.151 122.015 119.914 -0.084 0.000 2.490 237 V HA -0.060 4.066 4.120 0.011 0.000 0.250 237 V C 2.409 178.478 176.094 -0.042 0.000 1.061 237 V CA 1.434 63.693 62.300 -0.068 0.000 1.064 237 V CB -0.559 31.241 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 4.229 4.340 0.011 0.000 0.207 238 L C 2.608 179.486 176.870 0.013 0.000 1.071 238 L CA 2.246 57.051 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 -0.465 115.252 115.700 0.029 0.000 2.387 239 S HA -0.234 4.242 4.470 0.011 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 -0.687 62.559 63.200 0.076 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 4.497 4.470 0.011 0.000 0.223 240 S C 1.997 176.577 174.600 -0.033 0.000 1.030 240 S CA 0.966 59.169 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 2.384 118.085 115.700 0.001 0.000 2.353 241 S HA 0.007 4.484 4.470 0.011 0.000 0.222 241 S C 1.818 176.454 174.600 0.060 0.000 1.035 241 S CA 1.595 59.808 58.200 0.022 0.000 1.025 241 S CB -0.688 62.536 63.200 0.041 0.000 0.902 241 S HN 0.487 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 3.871 4.170 0.011 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 0.363 0.000 1.046 242 I HN 0.294 nan 8.210 nan 0.000 0.413 243 A N 0.463 123.240 122.820 -0.071 0.000 1.978 243 A HA -0.171 4.155 4.320 0.011 0.000 0.220 243 A C 2.476 179.687 177.584 -0.623 0.000 1.170 243 A CA 1.954 53.649 52.037 -0.570 0.000 0.636 243 A CB -0.650 17.805 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 4.443 4.320 0.011 0.000 0.214 244 A C 2.185 179.758 177.584 -0.018 0.000 1.189 244 A CA 1.366 53.351 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 3.842 4.120 0.011 0.000 0.248 245 V C 2.443 178.568 176.094 0.052 0.000 1.055 245 V CA 2.377 64.690 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 -0.425 119.593 119.950 0.114 0.000 2.456 246 F HA -0.001 4.532 4.527 0.010 0.000 0.298 246 F C 1.912 177.868 175.800 0.260 0.000 1.104 246 F CA 0.817 58.897 58.000 0.133 0.000 1.435 246 F CB -1.000 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 2.099 121.928 119.950 -0.202 0.000 2.128 247 F HA 0.113 4.647 4.527 0.011 0.000 0.295 247 F C 2.314 178.167 175.800 0.089 0.000 1.100 247 F CA 1.199 59.164 58.000 -0.057 0.000 1.260 247 F CB -1.091 37.750 39.000 -0.265 0.000 1.009 247 F HN 0.054 nan 8.300 nan 0.000 0.476 248 A N 0.950 123.634 122.820 -0.227 0.000 1.892 248 A HA -0.126 4.200 4.320 0.011 0.000 0.218 248 A C 2.497 179.990 177.584 -0.152 0.000 1.188 248 A CA 2.381 54.244 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 -1.228 121.569 122.820 -0.038 0.000 1.865 249 A HA -0.067 4.259 4.320 0.011 0.000 0.217 249 A C 1.945 179.543 177.584 0.022 0.000 1.191 249 A CA 1.692 53.722 52.037 -0.010 0.000 0.623 249 A CB -0.865 18.097 19.000 -0.063 0.000 0.826 249 A HN 0.464 nan 8.150 nan 0.000 0.444 250 F N -0.083 119.932 119.950 0.109 0.000 2.250 250 F HA -0.145 4.388 4.527 0.011 0.000 0.301 250 F C 2.347 178.177 175.800 0.050 0.000 1.077 250 F CA 1.340 59.410 58.000 0.117 0.000 1.348 250 F CB -0.292 38.835 39.000 0.212 0.000 1.040 250 F HN 0.036 nan 8.300 nan 0.000 0.509 251 V N -0.468 119.510 119.914 0.106 0.000 2.346 251 V HA -0.206 3.920 4.120 0.011 0.000 0.244 251 V C 2.412 178.526 176.094 0.034 0.000 1.037 251 V CA 1.482 63.783 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 0.256 nan 8.190 nan 0.000 0.454 252 V N -0.363 119.563 119.914 0.021 0.000 2.490 252 V HA -0.144 3.983 4.120 0.011 0.000 0.250 252 V C 2.492 178.682 176.094 0.159 0.000 1.061 252 V CA 1.842 64.177 62.300 0.059 0.000 1.064 252 V CB -1.548 30.323 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 4.448 4.320 0.011 0.000 0.218 253 A C 2.337 180.041 177.584 0.199 0.000 1.169 253 A CA 1.734 53.901 52.037 0.215 0.000 0.635 253 A CB -1.221 17.864 19.000 0.141 0.000 0.810 253 A HN 0.642 nan 8.150 nan 0.000 0.445 254 G N -0.563 108.366 108.800 0.214 0.000 2.396 254 G HA2 -0.098 3.868 3.960 0.011 0.000 0.214 254 G HA3 -0.098 3.868 3.960 0.011 0.000 0.214 254 G C 1.699 176.792 174.900 0.321 0.000 1.166 254 G CA 1.739 47.022 45.100 0.305 0.000 0.793 254 G HN 0.660 nan 8.290 nan 0.000 0.533 255 T N -1.560 113.096 114.554 0.171 0.000 2.995 255 T HA 0.005 4.361 4.350 0.011 0.000 0.269 255 T C 2.222 176.941 174.700 0.032 0.000 1.091 255 T CA 1.416 63.568 62.100 0.085 0.000 1.128 255 T CB -0.093 68.760 68.868 -0.025 0.000 0.891 255 T HN 0.116 nan 8.240 nan 0.000 0.492 256 M N -0.199 119.417 119.600 0.028 0.000 2.236 256 M HA 0.266 4.752 4.480 0.011 0.000 0.266 256 M C 1.944 178.292 176.300 0.081 0.000 1.070 256 M CA 0.856 56.120 55.300 -0.059 0.000 1.137 256 M CB -0.693 31.878 32.600 -0.049 0.000 1.378 256 M HN 0.491 nan 8.290 nan 0.000 0.426 257 W N -0.438 120.804 121.300 -0.096 0.000 2.443 257 W HA -0.197 4.469 4.660 0.010 0.000 0.296 257 W C 1.056 177.520 176.519 -0.093 0.000 1.202 257 W CA 1.155 58.404 57.345 -0.160 0.000 1.312 257 W CB -0.132 29.138 29.460 -0.316 0.000 1.120 257 W HN 0.218 nan 8.180 nan 0.000 0.536 258 Y N 0.420 120.832 120.300 0.187 0.000 2.517 258 Y HA 0.288 4.845 4.550 0.011 0.000 0.281 258 Y C 1.354 177.288 175.900 0.057 0.000 1.125 258 Y CA 1.061 59.193 58.100 0.053 0.000 1.283 258 Y CB -0.640 37.815 38.460 -0.007 0.000 1.042 258 Y HN -0.037 nan 8.280 nan 0.000 0.547 259 G N 0.564 109.467 108.800 0.171 0.000 2.721 259 G HA2 0.202 4.169 3.960 0.011 0.000 0.686 259 G HA3 0.202 4.169 3.960 0.011 0.000 0.686 259 G C -0.419 174.588 174.900 0.178 0.000 1.236 259 G CA -0.377 44.825 45.100 0.170 0.000 0.786 259 G HN 0.796 nan 8.290 nan 0.000 0.616 260 S N -0.495 115.274 115.700 0.115 0.000 2.627 260 S HA 0.875 5.352 4.470 0.011 0.000 0.268 260 S C 1.128 175.763 174.600 0.059 0.000 1.130 260 S CA 0.481 58.619 58.200 -0.103 0.000 0.819 260 S CB 0.936 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 0.585 123.424 122.820 0.031 0.000 2.234 261 A HA 0.127 4.453 4.320 0.011 0.000 0.216 261 A C 1.780 179.403 177.584 0.064 0.000 1.167 261 A CA 2.058 54.139 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 0.872 nan 8.150 nan 0.000 0.475 262 T N -0.526 114.038 114.554 0.016 0.000 3.051 262 T HA 0.051 4.407 4.350 0.011 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 -0.079 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 0.413 4.770 4.350 0.011 0.000 0.351 263 T C -3.043 171.730 174.700 0.122 0.000 1.759 263 T CA -1.845 60.210 62.100 -0.075 0.000 1.561 263 T CB 1.025 69.688 68.868 -0.342 0.000 1.011 263 T HN 0.007 nan 8.240 nan 0.000 0.689 264 P HA 0.217 nan 4.420 nan 0.000 0.271 264 P C 1.625 178.957 177.300 0.053 0.000 1.216 264 P CA -0.692 62.485 63.100 0.129 0.000 0.771 264 P CB 1.140 32.946 31.700 0.177 0.000 0.864 265 I N 0.856 121.443 120.570 0.028 0.000 2.335 265 I HA -0.207 3.969 4.170 0.011 0.000 0.251 265 I C 1.283 177.348 176.117 -0.085 0.000 1.129 265 I CA 1.392 62.653 61.300 -0.065 0.000 1.402 265 I CB -0.774 37.200 38.000 -0.043 0.000 1.069 265 I HN 0.254 nan 8.210 nan 0.000 0.424 266 E N 1.031 121.277 120.200 0.077 0.000 2.516 266 E HA -0.006 4.350 4.350 0.011 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 0.112 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 4.515 4.340 0.011 0.000 0.241 267 L C 1.075 177.527 176.870 -0.697 0.000 1.080 267 L CA 0.045 54.527 54.840 -0.596 0.000 0.909 267 L CB 0.414 41.861 42.059 -1.021 0.000 1.277 267 L HN 0.026 nan 8.230 nan 0.000 0.510 268 F N 0.159 119.954 119.950 -0.258 0.000 2.784 268 F HA 0.535 5.069 4.527 0.011 0.000 0.323 268 F C 1.198 176.803 175.800 -0.325 0.000 1.085 268 F CA 0.134 58.011 58.000 -0.206 0.000 1.196 268 F CB 0.875 39.733 39.000 -0.237 0.000 1.053 268 F HN 0.013 nan 8.300 nan 0.000 0.578 269 G N 0.484 108.893 108.800 -0.650 0.000 2.612 269 G HA2 -0.058 3.908 3.960 0.011 0.000 0.686 269 G HA3 -0.058 3.908 3.960 0.011 0.000 0.686 269 G C -3.023 171.498 174.900 -0.631 0.000 1.274 269 G CA -1.493 42.845 45.100 -1.270 0.000 0.849 269 G HN -0.137 nan 8.290 nan 0.000 0.595 270 P HA 0.397 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 0.171 63.152 63.100 -0.197 0.000 0.795 270 P CB 0.486 32.136 31.700 -0.085 0.000 1.064 271 T N -0.382 114.092 114.554 -0.134 0.000 2.918 271 T HA 0.226 4.583 4.350 0.011 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 0.906 69.691 68.868 -0.138 0.000 1.046 271 T HN 0.355 nan 8.240 nan 0.000 0.479 272 R N 1.049 121.155 120.500 -0.657 0.000 2.148 272 R HA -0.072 4.274 4.340 0.011 0.000 0.227 272 R C 0.973 177.009 176.300 -0.440 0.000 1.103 272 R CA 1.768 57.506 56.100 -0.603 0.000 0.983 272 R CB -0.572 29.207 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 -0.177 0.000 2.457 273 Y HA 0.043 4.599 4.550 0.011 0.000 0.292 273 Y C 2.205 178.073 175.900 -0.053 0.000 1.125 273 Y CA 0.844 58.891 58.100 -0.089 0.000 1.254 273 Y CB -0.141 38.258 38.460 -0.102 0.000 1.012 273 Y HN 0.158 nan 8.280 nan 0.000 0.555 274 Q N -0.967 118.883 119.800 0.084 0.000 2.123 274 Q HA -0.208 4.139 4.340 0.011 0.000 0.199 274 Q C 2.080 178.245 176.000 0.275 0.000 0.966 274 Q CA 1.293 57.182 55.803 0.143 0.000 0.845 274 Q CB -0.528 28.378 28.738 0.279 0.000 0.907 274 Q HN 0.677 nan 8.270 nan 0.000 0.439 275 W N 2.329 123.687 121.300 0.097 0.000 2.381 275 W HA -0.165 4.502 4.660 0.011 0.000 0.301 275 W C 0.675 177.226 176.519 0.054 0.000 1.205 275 W CA 1.333 58.729 57.345 0.085 0.000 1.285 275 W CB -0.001 29.448 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 2.092 276 D HA -0.190 4.456 4.640 0.011 0.000 0.193 276 D C 2.152 178.412 176.300 -0.066 0.000 0.994 276 D CA 2.527 56.517 54.000 -0.018 0.000 0.828 276 D CB -0.776 40.062 40.800 0.064 0.000 0.963 276 D HN 0.194 nan 8.370 nan 0.000 0.450 277 S N -0.634 115.062 115.700 -0.007 0.000 2.671 277 S HA 0.138 4.615 4.470 0.011 0.000 0.220 277 S C 0.592 175.185 174.600 -0.011 0.000 0.951 277 S CA -0.024 58.175 58.200 -0.003 0.000 0.932 277 S CB 0.191 63.406 63.200 0.024 0.000 0.777 277 S HN 0.015 nan 8.310 nan 0.000 0.508 278 S N 0.544 116.192 115.700 -0.087 0.000 3.581 278 S HA -0.247 4.230 4.470 0.011 0.000 0.354 278 S C 0.507 175.152 174.600 0.076 0.000 1.059 278 S CA 0.791 58.938 58.200 -0.089 0.000 1.060 278 S CB -2.316 60.812 63.200 -0.121 0.000 0.908 278 S HN 0.771 nan 8.310 nan 0.000 0.475 279 Y N 1.464 121.754 120.300 -0.017 0.000 1.977 279 Y HA -0.295 4.262 4.550 0.011 0.000 0.264 279 Y C 1.601 177.487 175.900 -0.023 0.000 1.167 279 Y CA 2.313 60.370 58.100 -0.071 0.000 1.102 279 Y CB -0.896 37.441 38.460 -0.205 0.000 0.948 279 Y HN 0.442 nan 8.280 nan 0.000 0.489 280 F N 0.430 120.415 119.950 0.057 0.000 2.365 280 F HA -0.176 4.357 4.527 0.011 0.000 0.300 280 F C 2.701 178.484 175.800 -0.029 0.000 1.090 280 F CA 1.531 59.506 58.000 -0.042 0.000 1.408 280 F CB -0.712 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 0.548 120.459 119.800 0.185 0.000 2.119 281 Q HA -0.229 4.117 4.340 0.011 0.000 0.201 281 Q C 1.959 177.986 176.000 0.044 0.000 0.972 281 Q CA 1.639 57.521 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 -0.128 119.659 119.800 -0.022 0.000 2.123 282 Q HA -0.180 4.166 4.340 0.011 0.000 0.199 282 Q C 1.899 177.816 176.000 -0.140 0.000 0.966 282 Q CA 1.282 57.046 55.803 -0.066 0.000 0.845 282 Q CB 0.016 28.721 28.738 -0.055 0.000 0.907 282 Q HN 0.288 nan 8.270 nan 0.000 0.439 283 E N 1.278 121.327 120.200 -0.252 0.000 2.110 283 E HA -0.141 4.215 4.350 0.011 0.000 0.193 283 E C 1.606 178.030 176.600 -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 0.429 120.900 120.570 -0.164 0.000 2.110 284 I HA -0.279 3.898 4.170 0.011 0.000 0.236 284 I C 2.257 178.259 176.117 -0.192 0.000 1.068 284 I CA 1.058 62.292 61.300 -0.110 0.000 1.333 284 I CB -0.545 37.500 38.000 0.075 0.000 1.054 284 I HN 0.146 nan 8.210 nan 0.000 0.402 285 N N 0.956 119.580 118.700 -0.128 0.000 2.021 285 N HA -0.272 4.474 4.740 0.011 0.000 0.198 285 N C 1.976 177.368 175.510 -0.196 0.000 1.041 285 N CA 1.618 54.569 53.050 -0.167 0.000 0.862 285 N CB -0.492 37.956 38.487 -0.065 0.000 1.048 285 N HN 0.281 nan 8.380 nan 0.000 0.427 286 R N 1.158 121.564 120.500 -0.157 0.000 2.134 286 R HA -0.150 4.196 4.340 0.011 0.000 0.248 286 R C 2.260 178.459 176.300 -0.168 0.000 1.143 286 R CA 1.629 57.643 56.100 -0.145 0.000 0.957 286 R CB -0.050 30.167 30.300 -0.138 0.000 0.867 286 R HN 0.303 nan 8.270 nan 0.000 0.441 287 R N -0.591 119.788 120.500 -0.201 0.000 2.075 287 R HA -0.068 4.278 4.340 0.011 0.000 0.232 287 R C 2.352 178.500 176.300 -0.252 0.000 1.126 287 R CA 1.440 57.421 56.100 -0.199 0.000 0.963 287 R CB -0.302 29.883 30.300 -0.193 0.000 0.858 287 R HN 0.120 nan 8.270 nan 0.000 0.435 288 V N 1.393 121.079 119.914 -0.380 0.000 2.295 288 V HA -0.241 3.886 4.120 0.011 0.000 0.246 288 V C 2.373 178.250 176.094 -0.361 0.000 1.049 288 V CA 1.646 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 -0.341 119.297 119.800 -0.270 0.000 2.226 289 Q HA -0.098 4.248 4.340 0.011 0.000 0.204 289 Q C 2.369 178.286 176.000 -0.139 0.000 0.975 289 Q CA 1.677 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 4.198 4.320 0.011 0.000 0.215 290 A C 2.471 179.994 177.584 -0.102 0.000 1.186 290 A CA 1.691 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 -0.021 115.603 115.700 -0.127 0.000 2.383 291 S HA -0.104 4.372 4.470 0.011 0.000 0.229 291 S C 1.781 176.323 174.600 -0.098 0.000 1.030 291 S CA 1.430 59.566 58.200 -0.108 0.000 1.002 291 S CB -0.462 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 4.236 4.340 0.011 0.000 0.209 292 L C 2.732 179.561 176.870 -0.068 0.000 1.094 292 L CA 1.027 55.810 54.840 -0.095 0.000 0.763 292 L CB -0.700 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 0.247 123.027 122.820 -0.068 0.000 1.873 293 A HA -0.174 4.153 4.320 0.011 0.000 0.215 293 A C 2.209 179.768 177.584 -0.042 0.000 1.186 293 A CA 1.650 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 -0.511 115.162 115.700 -0.044 0.000 2.906 294 S HA 0.369 4.846 4.470 0.011 0.000 0.234 294 S C 1.119 175.700 174.600 -0.031 0.000 0.973 294 S CA 0.642 58.822 58.200 -0.035 0.000 1.036 294 S CB -1.214 61.965 63.200 -0.035 0.000 0.798 294 S HN 1.903 nan 8.310 nan 0.000 0.498 295 G N 0.245 109.025 108.800 -0.033 0.000 2.305 295 G HA2 -0.077 3.890 3.960 0.011 0.000 0.287 295 G HA3 -0.077 3.890 3.960 0.011 0.000 0.287 295 G C 0.230 175.114 174.900 -0.027 0.000 1.036 295 G CA 0.042 45.125 45.100 -0.028 0.000 0.887 295 G HN 1.283 nan 8.290 nan 0.000 0.505 296 A N -0.452 122.346 122.820 -0.036 0.000 2.269 296 A HA 0.951 5.277 4.320 0.011 0.000 0.319 296 A C 0.887 178.451 177.584 -0.033 0.000 1.110 296 A CA 0.583 52.602 52.037 -0.031 0.000 0.847 296 A CB 0.729 19.706 19.000 -0.039 0.000 1.161 296 A HN 1.611 nan 8.150 nan 0.000 0.497 297 T N -0.967 113.577 114.554 -0.016 0.000 2.847 297 T HA 0.351 4.707 4.350 0.011 0.000 0.279 297 T C 1.055 175.740 174.700 -0.026 0.000 0.984 297 T CA -0.383 61.709 62.100 -0.012 0.000 0.988 297 T CB 0.476 69.355 68.868 0.018 0.000 1.040 297 T HN 0.471 nan 8.240 nan 0.000 0.528 298 L N 0.691 121.880 121.223 -0.056 0.000 2.042 298 L HA -0.034 4.312 4.340 0.011 0.000 0.210 298 L C 2.661 179.565 176.870 0.056 0.000 1.076 298 L CA 1.760 56.526 54.840 -0.124 0.000 0.749 298 L CB -1.139 40.657 42.059 -0.438 0.000 0.893 298 L HN 0.809 nan 8.230 nan 0.000 0.432 299 E N -0.478 119.816 120.200 0.156 0.000 2.038 299 E HA -0.274 4.082 4.350 0.011 0.000 0.195 299 E C 1.986 178.701 176.600 0.191 0.000 1.000 299 E CA 1.849 58.413 56.400 0.273 0.000 0.803 299 E CB -0.186 29.634 29.700 0.199 0.000 0.750 299 E HN 0.643 nan 8.360 nan 0.000 0.448 300 E N 0.795 121.057 120.200 0.103 0.000 2.058 300 E HA -0.195 4.161 4.350 0.011 0.000 0.194 300 E C 2.104 178.736 176.600 0.052 0.000 0.997 300 E CA 0.943 57.385 56.400 0.069 0.000 0.801 300 E CB -0.191 29.528 29.700 0.031 0.000 0.746 300 E HN 0.217 nan 8.360 nan 0.000 0.450 301 A N 1.187 124.002 122.820 -0.008 0.000 1.849 301 A HA -0.211 4.115 4.320 0.011 0.000 0.217 301 A C 1.899 179.430 177.584 -0.088 0.000 1.202 301 A CA 1.637 53.599 52.037 -0.125 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 0.393 121.732 121.300 0.064 0.000 2.350 302 W HA -0.117 4.550 4.660 0.010 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 -0.035 115.886 115.700 0.369 0.000 2.442 303 S HA -0.136 4.340 4.470 0.011 0.000 0.236 303 S C 1.914 176.660 174.600 0.243 0.000 1.007 303 S CA 1.138 59.505 58.200 0.279 0.000 0.965 303 S CB -0.537 62.766 63.200 0.172 0.000 0.773 303 S HN 0.303 nan 8.310 nan 0.000 0.504 304 A N 1.254 124.178 122.820 0.174 0.000 2.014 304 A HA 0.141 4.468 4.320 0.011 0.000 0.218 304 A C 0.859 178.520 177.584 0.128 0.000 1.163 304 A CA 0.396 52.499 52.037 0.110 0.000 0.652 304 A CB -0.308 18.712 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 4.227 4.170 0.011 0.000 0.285 305 I C -2.048 174.169 176.117 0.166 0.000 1.148 305 I CA -1.825 59.575 61.300 0.167 0.000 1.386 305 I CB -0.283 37.879 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 -0.026 63.140 63.100 0.109 0.000 0.763 306 P CB 0.892 32.655 31.700 0.105 0.000 0.810 307 E N 2.431 122.697 120.200 0.111 0.000 2.065 307 E HA -0.279 4.077 4.350 0.011 0.000 0.201 307 E C 1.794 178.441 176.600 0.079 0.000 1.016 307 E CA 1.828 58.281 56.400 0.089 0.000 0.818 307 E CB -0.169 29.625 29.700 0.157 0.000 0.749 307 E HN 0.484 nan 8.360 nan 0.000 0.453 308 K N 1.003 121.469 120.400 0.109 0.000 2.089 308 K HA -0.190 4.136 4.320 0.011 0.000 0.210 308 K C 2.148 178.875 176.600 0.213 0.000 1.048 308 K CA 1.115 57.489 56.287 0.145 0.000 0.926 308 K CB -0.273 32.357 32.500 0.217 0.000 0.714 308 K HN 0.080 nan 8.250 nan 0.000 0.448 309 L N 0.188 121.553 121.223 0.235 0.000 2.017 309 L HA -0.110 4.237 4.340 0.011 0.000 0.208 309 L C 2.250 179.232 176.870 0.187 0.000 1.073 309 L CA 2.123 57.137 54.840 0.290 0.000 0.745 309 L CB -1.120 41.036 42.059 0.161 0.000 0.894 309 L HN 0.408 nan 8.230 nan 0.000 0.432 310 A N -0.562 122.259 122.820 0.001 0.000 1.902 310 A HA -0.287 4.039 4.320 0.011 0.000 0.217 310 A C 2.087 179.826 177.584 0.259 0.000 1.181 310 A CA 1.456 53.428 52.037 -0.107 0.000 0.623 310 A CB -0.957 17.475 19.000 -0.948 0.000 0.818 310 A HN 0.459 nan 8.150 nan 0.000 0.443 311 F N -0.308 119.693 119.950 0.084 0.000 2.161 311 F HA -0.184 4.349 4.527 0.010 0.000 0.300 311 F C 1.948 177.699 175.800 -0.081 0.000 1.089 311 F CA 1.060 58.991 58.000 -0.114 0.000 1.282 311 F CB -0.773 37.998 39.000 -0.381 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 4.404 4.550 0.011 0.000 0.292 312 Y C 1.435 177.157 175.900 -0.296 0.000 1.137 312 Y CA 1.089 58.868 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 -0.512 119.997 120.400 0.182 0.000 2.881 313 D HA -0.020 4.626 4.640 0.011 0.000 0.240 313 D C -1.311 175.380 176.300 0.651 0.000 1.249 313 D CA 0.012 54.276 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 0.205 120.702 120.300 0.328 0.000 2.338 314 Y HA 0.294 4.850 4.550 0.010 0.000 0.333 314 Y C 0.521 176.349 175.900 -0.120 0.000 0.968 314 Y CA -1.490 56.766 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 -0.028 nan 8.280 nan 0.000 0.452 315 I N 3.809 123.949 120.570 -0.717 0.000 2.800 315 I HA -0.151 4.025 4.170 0.011 0.000 0.266 315 I C 1.761 177.071 176.117 -1.344 0.000 1.249 315 I CA 1.858 62.283 61.300 -1.459 0.000 1.458 315 I CB -0.070 37.051 38.000 -1.464 0.000 1.093 315 I HN 0.989 nan 8.210 nan 0.000 0.466 316 G N 0.137 107.860 108.800 -1.795 0.000 2.956 316 G HA2 -0.103 3.863 3.960 0.011 0.000 0.207 316 G HA3 -0.103 3.863 3.960 0.011 0.000 0.207 316 G C 0.905 175.386 174.900 -0.697 0.000 1.162 316 G CA 0.068 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 0.180 118.512 118.700 -0.613 0.000 2.143 317 N HA 0.010 4.756 4.740 0.011 0.000 0.222 317 N C -0.280 175.060 175.510 -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 38.854 38.487 -0.156 0.000 1.092 317 N HN 0.119 nan 8.380 nan 0.000 0.516 318 N N 2.703 121.134 118.700 -0.448 0.000 2.420 318 N HA 0.131 4.878 4.740 0.011 0.000 0.262 318 N C -1.874 173.428 175.510 -0.347 0.000 1.144 318 N CA -1.430 51.368 53.050 -0.420 0.000 0.952 318 N CB 1.576 39.693 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 0.410 177.664 177.300 -0.077 0.000 1.148 319 P CA 0.782 63.783 63.100 -0.166 0.000 0.779 319 P CB 0.233 31.815 31.700 -0.197 0.000 0.780 320 A N -1.635 121.091 122.820 -0.157 0.000 2.208 320 A HA -0.004 4.322 4.320 0.011 0.000 0.209 320 A C 0.993 178.476 177.584 -0.167 0.000 1.161 320 A CA 0.792 52.782 52.037 -0.078 0.000 0.782 320 A CB -0.437 18.477 19.000 -0.142 0.000 0.816 320 A HN 0.014 nan 8.150 nan 0.000 0.477 321 K N -0.170 120.077 120.400 -0.256 0.000 2.098 321 K HA 0.622 4.948 4.320 0.011 0.000 0.258 321 K C 0.324 176.822 176.600 -0.169 0.000 0.973 321 K CA 0.544 56.667 56.287 -0.272 0.000 0.898 321 K CB 1.247 33.418 32.500 -0.548 0.000 1.057 321 K HN 0.530 nan 8.250 nan 0.000 0.447 322 G N -0.598 108.149 108.800 -0.088 0.000 2.331 322 G HA2 0.307 4.273 3.960 0.011 0.000 0.402 322 G HA3 0.307 4.273 3.960 0.011 0.000 0.402 322 G C -0.941 173.901 174.900 -0.097 0.000 1.275 322 G CA -0.492 44.564 45.100 -0.074 0.000 1.003 322 G HN 0.799 nan 8.290 nan 0.000 0.500 323 G N -1.975 106.753 108.800 -0.120 0.000 2.692 323 G HA2 0.666 4.632 3.960 0.011 0.000 0.291 323 G HA3 0.666 4.632 3.960 0.011 0.000 0.291 323 G C 0.500 175.277 174.900 -0.204 0.000 1.423 323 G CA 0.309 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 -0.258 120.796 121.223 -0.282 0.000 2.141 324 L HA 0.326 4.672 4.340 0.011 0.000 0.209 324 L C 1.400 177.965 176.870 -0.509 0.000 1.094 324 L CA 1.766 56.301 54.840 -0.508 0.000 0.763 324 L CB -0.331 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 -0.867 119.112 119.950 0.048 0.000 2.668 325 F HA 0.346 4.879 4.527 0.010 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 -0.236 nan 8.300 nan 0.000 0.535 326 R N 1.511 122.119 120.500 0.181 0.000 3.235 326 R HA 0.179 4.525 4.340 0.011 0.000 0.232 326 R C 0.473 176.892 176.300 0.199 0.000 1.475 326 R CA -0.165 56.025 56.100 0.149 0.000 1.405 326 R CB -0.105 30.255 30.300 0.099 0.000 1.266 326 R HN 0.179 nan 8.270 nan 0.000 0.650 327 T N -1.202 113.444 114.554 0.153 0.000 2.748 327 T HA 0.474 4.830 4.350 0.011 0.000 0.304 327 T C 0.975 175.726 174.700 0.084 0.000 1.041 327 T CA -0.006 62.151 62.100 0.095 0.000 1.033 327 T CB 1.188 70.077 68.868 0.036 0.000 0.995 327 T HN 0.661 nan 8.240 nan 0.000 0.536 328 G N 1.161 109.978 108.800 0.028 0.000 2.725 328 G HA2 -0.007 3.959 3.960 0.011 0.000 0.220 328 G HA3 -0.007 3.959 3.960 0.011 0.000 0.220 328 G C -2.696 172.269 174.900 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 0.275 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 -0.255 62.914 63.100 0.115 0.000 0.793 329 P CB 0.406 32.145 31.700 0.066 0.000 1.048 330 M N -0.000 119.667 119.600 0.112 0.000 2.476 330 M HA -0.088 4.398 4.480 0.011 0.000 0.262 330 M C 1.391 177.708 176.300 0.029 0.000 1.079 330 M CA 1.152 56.505 55.300 0.089 0.000 1.104 330 M CB -0.626 32.040 32.600 0.110 0.000 1.409 330 M HN 0.289 nan 8.290 nan 0.000 0.467 331 N N 0.569 119.278 118.700 0.015 0.000 2.396 331 N HA -0.115 4.631 4.740 0.011 0.000 0.180 331 N C 1.509 177.000 175.510 -0.031 0.000 1.028 331 N CA 0.964 54.007 53.050 -0.011 0.000 0.893 331 N CB -0.165 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 1.035 121.425 120.400 -0.017 0.000 2.486 332 K HA 0.082 4.408 4.320 0.011 0.000 0.194 332 K C 1.386 177.951 176.600 -0.059 0.000 1.033 332 K CA 0.232 56.504 56.287 -0.026 0.000 1.004 332 K CB -0.311 32.188 32.500 -0.000 0.000 0.798 332 K HN 0.131 nan 8.250 nan 0.000 0.495 333 G N 0.633 109.384 108.800 -0.082 0.000 2.672 333 G HA2 -0.126 3.840 3.960 0.011 0.000 0.200 333 G HA3 -0.126 3.840 3.960 0.011 0.000 0.200 333 G C 0.623 175.362 174.900 -0.268 0.000 1.819 333 G CA 0.457 45.461 45.100 -0.160 0.000 0.902 333 G HN 0.446 nan 8.290 nan 0.000 0.512 334 D N -0.092 120.076 120.400 -0.388 0.000 2.348 334 D HA 0.327 4.974 4.640 0.011 0.000 0.216 334 D C 1.261 177.195 176.300 -0.609 0.000 0.970 334 D CA 0.885 54.512 54.000 -0.621 0.000 0.889 334 D CB -0.240 40.020 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 -0.292 0.000 2.612 335 G HA2 -0.132 3.834 3.960 0.011 0.000 0.686 335 G HA3 -0.132 3.834 3.960 0.011 0.000 0.686 335 G C -0.704 174.278 174.900 0.137 0.000 1.274 335 G CA -0.594 44.471 45.100 -0.058 0.000 0.849 335 G HN 0.242 nan 8.290 nan 0.000 0.595 336 I N 1.614 122.266 120.570 0.136 0.000 2.581 336 I HA 0.370 4.547 4.170 0.011 0.000 0.285 336 I C 1.441 177.679 176.117 0.203 0.000 1.129 336 I CA 0.351 61.721 61.300 0.117 0.000 1.397 336 I CB 0.775 38.779 38.000 0.006 0.000 1.399 336 I HN 0.925 nan 8.210 nan 0.000 0.537 337 A N 7.258 130.186 122.820 0.180 0.000 2.524 337 A HA 0.106 4.432 4.320 0.011 0.000 0.250 337 A C 0.897 178.344 177.584 -0.228 0.000 1.078 337 A CA -0.115 51.844 52.037 -0.130 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 0.768 120.434 119.800 -0.223 0.000 2.387 338 Q HA 0.419 4.765 4.340 0.011 0.000 0.212 338 Q C 0.499 176.430 176.000 -0.115 0.000 0.925 338 Q CA 1.446 57.162 55.803 -0.145 0.000 0.901 338 Q CB 0.346 29.025 28.738 -0.097 0.000 1.020 338 Q HN 1.087 nan 8.270 nan 0.000 0.545 339 A N -0.497 122.279 122.820 -0.073 0.000 2.586 339 A HA 0.415 4.741 4.320 0.011 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 0.262 19.251 19.000 -0.019 0.000 1.281 339 A HN 0.176 nan 8.150 nan 0.000 0.421 340 W N 2.535 123.769 121.300 -0.110 0.000 2.387 340 W HA 0.505 5.171 4.660 0.010 0.000 0.310 340 W C 0.638 176.943 176.519 -0.356 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 4.107 124.218 120.400 -0.481 0.000 2.211 341 K HA 0.123 4.449 4.320 0.011 0.000 0.204 341 K C 0.997 177.120 176.600 -0.796 0.000 1.047 341 K CA 1.327 57.292 56.287 -0.537 0.000 0.935 341 K CB -0.257 32.003 32.500 -0.400 0.000 0.728 341 K HN 0.730 nan 8.250 nan 0.000 0.452 342 G N 0.108 108.069 108.800 -1.398 0.000 2.440 342 G HA2 -0.183 3.783 3.960 0.011 0.000 0.684 342 G HA3 -0.183 3.783 3.960 0.011 0.000 0.684 342 G C -1.685 172.817 174.900 -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 0.354 119.055 119.070 -0.615 0.000 2.803 343 H HA 0.637 5.199 4.556 0.011 0.000 0.330 343 H C 0.646 175.598 175.328 -0.627 0.000 1.057 343 H CA 1.071 56.818 56.048 -0.502 0.000 1.458 343 H CB 1.029 30.018 29.762 -1.288 0.000 1.470 343 H HN 1.082 nan 8.280 nan 0.000 0.560 344 A N 5.351 127.413 122.820 -1.265 0.000 2.276 344 A HA 0.521 4.848 4.320 0.011 0.000 0.316 344 A C -0.916 175.943 177.584 -1.208 0.000 1.229 344 A CA -0.709 50.418 52.037 -1.516 0.000 0.851 344 A CB 0.575 18.762 19.000 -1.356 0.000 1.165 344 A HN 0.545 nan 8.150 nan 0.000 0.513 345 V N 3.455 122.776 119.914 -0.989 0.000 2.384 345 V HA 0.428 4.554 4.120 0.011 0.000 0.287 345 V C -0.877 174.786 176.094 -0.718 0.000 1.020 345 V CA -0.205 61.780 62.300 -0.524 0.000 0.850 345 V CB 0.773 32.545 31.823 -0.084 0.000 0.987 345 V HN 0.723 nan 8.190 nan 0.000 0.436 346 F N 4.389 124.164 119.950 -0.292 0.000 2.421 346 F HA 0.736 5.269 4.527 0.011 0.000 0.337 346 F C 0.694 176.341 175.800 -0.255 0.000 1.105 346 F CA -0.504 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 1.564 122.021 120.500 -0.073 0.000 2.808 347 R HA 0.429 4.775 4.340 0.011 0.000 0.272 347 R C -1.215 175.036 176.300 -0.082 0.000 0.995 347 R CA -1.294 54.752 56.100 -0.089 0.000 0.917 347 R CB 2.292 32.544 30.300 -0.080 0.000 1.217 347 R HN 0.729 nan 8.270 nan 0.000 0.471 348 N N 0.483 119.138 118.700 -0.074 0.000 2.362 348 N HA 0.115 4.862 4.740 0.011 0.000 0.299 348 N C 0.353 175.841 175.510 -0.036 0.000 1.170 348 N CA -0.779 52.232 53.050 -0.065 0.000 0.825 348 N CB 1.489 39.937 38.487 -0.065 0.000 1.299 348 N HN 0.623 nan 8.380 nan 0.000 0.502 349 K N 0.448 120.834 120.400 -0.023 0.000 2.159 349 K HA -0.314 4.012 4.320 0.011 0.000 0.217 349 K C 0.610 177.205 176.600 -0.009 0.000 1.048 349 K CA 2.283 58.563 56.287 -0.011 0.000 0.941 349 K CB -0.437 32.062 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 4.378 4.350 0.011 0.000 0.201 350 E C 1.278 177.874 176.600 -0.006 0.000 1.071 350 E CA 0.987 57.386 56.400 -0.003 0.000 0.880 350 E CB 0.037 29.739 29.700 0.003 0.000 0.828 350 E HN 0.667 nan 8.360 nan 0.000 0.540 351 G N 0.360 109.151 108.800 -0.015 0.000 2.253 351 G HA2 -0.355 3.611 3.960 0.011 0.000 0.251 351 G HA3 -0.355 3.611 3.960 0.011 0.000 0.251 351 G C 0.049 174.936 174.900 -0.021 0.000 0.998 351 G CA 0.161 45.251 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 4.624 4.350 0.011 0.000 0.261 352 E C 0.473 177.038 176.600 -0.058 0.000 0.974 352 E CA 0.588 56.976 56.400 -0.020 0.000 0.936 352 E CB 0.492 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 3.910 124.063 120.200 -0.079 0.000 2.200 353 E HA 0.140 4.496 4.350 0.011 0.000 0.283 353 E C -0.831 175.559 176.600 -0.350 0.000 1.015 353 E CA -0.702 55.575 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 0.191 nan 8.360 nan 0.000 0.397 354 L N 3.937 124.933 121.223 -0.377 0.000 2.365 354 L HA 0.542 4.888 4.340 0.011 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 42.383 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 4.992 4.527 0.011 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 1.784 40.828 39.000 0.073 0.000 1.211 355 F HN -0.062 nan 8.300 nan 0.000 0.446 356 V N 3.027 123.030 119.914 0.147 0.000 2.455 356 V HA 0.312 4.438 4.120 0.011 0.000 0.273 356 V C 0.317 176.491 176.094 0.134 0.000 1.045 356 V CA -0.666 61.660 62.300 0.043 0.000 0.976 356 V CB 0.699 32.483 31.823 -0.064 0.000 0.993 356 V HN 0.584 nan 8.190 nan 0.000 0.475 357 R N 5.463 126.047 120.500 0.140 0.000 2.458 357 R HA 0.125 4.472 4.340 0.011 0.000 0.303 357 R C 0.355 176.781 176.300 0.211 0.000 1.013 357 R CA 0.433 56.644 56.100 0.186 0.000 1.026 357 R CB -0.062 30.386 30.300 0.246 0.000 0.948 357 R HN 0.673 nan 8.270 nan 0.000 0.417 358 R N 3.620 124.189 120.500 0.115 0.000 2.707 358 R HA 0.125 4.472 4.340 0.011 0.000 0.270 358 R C 0.290 176.493 176.300 -0.161 0.000 1.083 358 R CA -0.395 55.766 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 3.035 122.611 119.600 -0.040 0.000 2.105 359 M HA 0.262 4.749 4.480 0.011 0.000 0.350 359 M C -2.313 173.990 176.300 0.005 0.000 1.308 359 M CA -1.687 53.410 55.300 -0.340 0.000 1.108 359 M CB 1.216 33.834 32.600 0.030 0.000 1.622 359 M HN 0.143 nan 8.290 nan 0.000 0.468 360 P HA 0.169 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 -0.029 63.215 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 0.181 0.000 1.971 361 A HA -0.266 4.060 4.320 0.011 0.000 0.222 361 A C 1.813 179.446 177.584 0.083 0.000 1.182 361 A CA 1.729 53.760 52.037 -0.010 0.000 0.649 361 A CB -1.708 17.217 19.000 -0.125 0.000 0.818 361 A HN 0.480 nan 8.150 nan 0.000 0.458 362 F N -0.979 118.991 119.950 0.033 0.000 2.154 362 F HA -0.050 4.484 4.527 0.011 0.000 0.301 362 F C 0.536 176.219 175.800 -0.196 0.000 1.087 362 F CA 0.279 58.204 58.000 -0.124 0.000 1.274 362 F CB -0.654 38.184 39.000 -0.269 0.000 1.009 362 F HN 0.140 nan 8.300 nan 0.000 0.485 363 F N 0.570 120.661 119.950 0.235 0.000 2.424 363 F HA 0.166 4.700 4.527 0.011 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 0.491 39.646 39.000 0.259 0.000 1.115 363 F HN -0.190 nan 8.300 nan 0.000 0.507 364 E N 1.208 121.585 120.200 0.296 0.000 2.072 364 E HA -0.096 4.260 4.350 0.011 0.000 0.191 364 E C 0.619 177.412 176.600 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 29.809 29.700 0.171 0.000 0.750 364 E HN 0.537 nan 8.360 nan 0.000 0.452 365 S N -0.785 115.129 115.700 0.356 0.000 2.542 365 S HA 0.632 5.108 4.470 0.011 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 1.967 65.315 63.200 0.246 0.000 1.062 365 S HN 0.054 nan 8.310 nan 0.000 0.483 366 F N 2.307 122.340 119.950 0.139 0.000 2.601 366 F HA 0.713 5.246 4.527 0.011 0.000 0.309 366 F C -2.527 173.263 175.800 -0.015 0.000 1.089 366 F CA -1.569 56.431 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 0.620 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 3.720 123.558 119.914 -0.127 0.000 2.368 368 V HA 0.255 4.381 4.120 0.011 0.000 0.266 368 V C 0.596 176.666 176.094 -0.040 0.000 1.045 368 V CA -0.060 62.205 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 6.049 126.603 120.570 -0.028 0.000 2.545 369 I HA 0.508 4.685 4.170 0.011 0.000 0.292 369 I C -0.762 175.351 176.117 -0.007 0.000 1.040 369 I CA -0.593 60.689 61.300 -0.030 0.000 1.068 369 I CB 2.351 40.304 38.000 -0.079 0.000 1.251 369 I HN 0.329 nan 8.210 nan 0.000 0.424 370 L N 5.344 126.549 121.223 -0.030 0.000 2.356 370 L HA 0.615 4.962 4.340 0.011 0.000 0.277 370 L C -0.207 176.639 176.870 -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 44.123 42.059 -0.127 0.000 1.256 370 L HN 0.647 nan 8.230 nan 0.000 0.413 371 T N -2.444 112.133 114.554 0.040 0.000 2.916 371 T HA 0.558 4.914 4.350 0.011 0.000 0.292 371 T C -0.584 174.223 174.700 0.179 0.000 1.064 371 T CA -0.955 61.182 62.100 0.063 0.000 1.011 371 T CB 2.352 71.259 68.868 0.065 0.000 1.152 371 T HN 0.531 nan 8.240 nan 0.000 0.510 372 D N 0.292 120.786 120.400 0.156 0.000 2.469 372 D HA 0.214 4.861 4.640 0.011 0.000 0.278 372 D C 1.480 177.975 176.300 0.324 0.000 1.231 372 D CA -0.724 53.418 54.000 0.238 0.000 1.075 372 D CB 0.510 41.386 40.800 0.126 0.000 1.121 372 D HN 0.767 nan 8.370 nan 0.000 0.571 373 K N -0.587 119.994 120.400 0.301 0.000 2.032 373 K HA -0.151 4.176 4.320 0.011 0.000 0.209 373 K C 1.096 177.725 176.600 0.048 0.000 1.048 373 K CA 1.258 57.630 56.287 0.142 0.000 0.927 373 K CB -0.570 32.010 32.500 0.134 0.000 0.712 373 K HN 0.200 nan 8.250 nan 0.000 0.441 374 N N 0.759 119.496 118.700 0.061 0.000 2.571 374 N HA -0.003 4.743 4.740 0.011 0.000 0.189 374 N C 0.820 176.348 175.510 0.029 0.000 1.154 374 N CA 1.121 54.192 53.050 0.034 0.000 0.907 374 N CB 0.567 39.075 38.487 0.036 0.000 0.977 374 N HN 0.645 nan 8.380 nan 0.000 0.449 375 G N 0.041 108.866 108.800 0.041 0.000 2.148 375 G HA2 -0.278 3.689 3.960 0.011 0.000 0.254 375 G HA3 -0.278 3.689 3.960 0.011 0.000 0.254 375 G C -0.016 174.898 174.900 0.023 0.000 0.981 375 G CA 0.143 45.263 45.100 0.032 0.000 0.670 375 G HN 0.216 nan 8.290 nan 0.000 0.528 376 V N 1.121 121.052 119.914 0.028 0.000 2.488 376 V HA 0.371 4.498 4.120 0.011 0.000 0.277 376 V C 1.324 177.400 176.094 -0.030 0.000 1.046 376 V CA -0.595 61.709 62.300 0.007 0.000 0.986 376 V CB 1.665 33.502 31.823 0.024 0.000 0.989 376 V HN 0.265 nan 8.190 nan 0.000 0.475 377 V N 6.992 126.848 119.914 -0.098 0.000 2.450 377 V HA 0.091 4.218 4.120 0.011 0.000 0.281 377 V C 1.220 177.153 176.094 -0.269 0.000 1.019 377 V CA 0.241 62.402 62.300 -0.231 0.000 1.062 377 V CB 0.417 31.999 31.823 -0.403 0.000 0.979 377 V HN 0.888 nan 8.190 nan 0.000 0.477 378 K N 3.338 123.632 120.400 -0.178 0.000 2.350 378 K HA 0.490 4.817 4.320 0.011 0.000 0.196 378 K C 0.418 177.014 176.600 -0.006 0.000 1.084 378 K CA 0.810 57.066 56.287 -0.052 0.000 0.967 378 K CB 1.170 33.659 32.500 -0.018 0.000 0.950 378 K HN 0.706 nan 8.250 nan 0.000 0.512 379 A N 1.976 124.739 122.820 -0.095 0.000 2.609 379 A HA 0.572 4.899 4.320 0.011 0.000 0.291 379 A C -1.814 175.804 177.584 0.056 0.000 1.096 379 A CA -0.584 51.464 52.037 0.019 0.000 0.684 379 A CB 1.580 20.501 19.000 -0.131 0.000 1.282 379 A HN 0.222 nan 8.150 nan 0.000 0.412 380 D N -1.243 119.317 120.400 0.267 0.000 2.725 380 D HA 0.400 5.046 4.640 0.011 0.000 0.292 380 D C -1.348 175.108 176.300 0.261 0.000 1.288 380 D CA -0.431 53.719 54.000 0.252 0.000 0.784 380 D CB 0.295 41.146 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 4.508 4.170 0.011 0.000 0.285 381 I C -2.014 174.111 176.117 0.015 0.000 1.041 381 I CA -1.716 59.546 61.300 -0.063 0.000 1.199 381 I CB 1.242 39.117 38.000 -0.208 0.000 1.370 381 I HN 0.234 nan 8.210 nan 0.000 0.470 382 P HA 0.026 nan 4.420 nan 0.000 0.269 382 P C 0.052 177.407 177.300 0.091 0.000 1.209 382 P CA -0.001 63.152 63.100 0.088 0.000 0.776 382 P CB 1.488 33.237 31.700 0.081 0.000 0.876 383 F N 2.260 122.204 119.950 -0.010 0.000 2.202 383 F HA 0.180 4.714 4.527 0.011 0.000 0.279 383 F C 1.414 177.210 175.800 -0.007 0.000 1.077 383 F CA 0.728 58.719 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 1.224 121.862 120.500 0.230 0.000 2.210 384 R HA 0.162 4.508 4.340 0.011 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 0.109 0.000 0.902 384 R CB 0.985 31.372 30.300 0.144 0.000 1.050 384 R HN 0.142 nan 8.270 nan 0.000 0.461 385 R N 2.134 122.640 120.500 0.010 0.000 2.189 385 R HA -0.025 4.321 4.340 0.011 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 -0.427 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 4.061 4.320 0.011 0.000 0.223 386 A C 0.965 178.553 177.584 0.007 0.000 1.218 386 A CA 2.130 54.172 52.037 0.009 0.000 0.667 386 A CB -0.238 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 -0.487 119.720 120.200 0.011 0.000 3.428 387 E HA 0.176 4.532 4.350 0.011 0.000 0.191 387 E C -0.496 176.098 176.600 -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 4.652 4.470 0.011 0.000 0.282 388 S C 0.747 175.302 174.600 -0.074 0.000 1.304 388 S CA -0.389 57.810 58.200 -0.001 0.000 1.063 388 S CB 1.575 64.797 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 4.470 4.320 0.011 0.000 0.194 389 K C -0.276 176.027 176.600 -0.494 0.000 1.045 389 K CA 0.440 56.467 56.287 -0.433 0.000 1.026 389 K CB 0.171 32.248 32.500 -0.705 0.000 0.866 389 K HN 0.784 nan 8.250 nan 0.000 0.530 390 Y N 0.953 121.282 120.300 0.048 0.000 2.696 390 Y HA 0.164 4.720 4.550 0.011 0.000 0.260 390 Y C 0.306 176.271 175.900 0.108 0.000 1.165 390 Y CA -1.036 57.100 58.100 0.061 0.000 1.189 390 Y CB 0.031 38.525 38.460 0.057 0.000 1.180 390 Y HN -0.124 nan 8.280 nan 0.000 0.538 391 S N -0.714 115.106 115.700 0.201 0.000 2.558 391 S HA -0.074 4.402 4.470 0.011 0.000 0.288 391 S C 0.943 175.727 174.600 0.306 0.000 1.318 391 S CA -0.417 57.917 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 -0.084 4.450 4.527 0.011 0.000 0.301 392 F C 2.210 178.040 175.800 0.051 0.000 1.079 392 F CA 1.687 59.720 58.000 0.055 0.000 1.303 392 F CB -1.070 37.961 39.000 0.053 0.000 1.024 392 F HN 0.638 nan 8.300 nan 0.000 0.494 393 E N -0.136 120.205 120.200 0.234 0.000 2.028 393 E HA -0.206 4.151 4.350 0.011 0.000 0.191 393 E C 2.102 178.756 176.600 0.091 0.000 0.988 393 E CA 1.397 57.877 56.400 0.134 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 -0.085 119.764 119.800 0.082 0.000 2.364 394 Q HA -0.108 4.238 4.340 0.011 0.000 0.209 394 Q C 1.380 177.407 176.000 0.044 0.000 0.977 394 Q CA 0.808 56.640 55.803 0.048 0.000 0.885 394 Q CB 0.159 28.915 28.738 0.029 0.000 0.941 394 Q HN 0.200 nan 8.270 nan 0.000 0.464 395 Q N -1.325 118.509 119.800 0.057 0.000 2.281 395 Q HA 0.137 4.483 4.340 0.011 0.000 0.215 395 Q C 0.865 176.866 176.000 0.002 0.000 0.867 395 Q CA 0.677 56.496 55.803 0.026 0.000 0.940 395 Q CB 1.242 29.989 28.738 0.016 0.000 1.111 395 Q HN 0.447 nan 8.270 nan 0.000 0.513 396 G N 1.520 110.333 108.800 0.021 0.000 2.249 396 G HA2 -0.270 3.696 3.960 0.011 0.000 0.273 396 G HA3 -0.270 3.696 3.960 0.011 0.000 0.273 396 G C 0.324 175.215 174.900 -0.014 0.000 1.036 396 G CA 0.381 45.491 45.100 0.016 0.000 0.824 396 G HN 0.206 nan 8.290 nan 0.000 0.504 397 V N 0.851 120.725 119.914 -0.067 0.000 2.788 397 V HA 0.492 4.618 4.120 0.011 0.000 0.307 397 V C 1.142 177.223 176.094 -0.020 0.000 1.069 397 V CA 1.005 63.206 62.300 -0.166 0.000 1.173 397 V CB 0.936 32.395 31.823 -0.606 0.000 0.925 397 V HN 1.093 nan 8.190 nan 0.000 0.492 398 T N 1.646 116.194 114.554 -0.010 0.000 2.865 398 T HA 0.734 5.090 4.350 0.011 0.000 0.294 398 T C -0.980 173.707 174.700 -0.022 0.000 1.119 398 T CA -0.761 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 0.688 nan 8.240 nan 0.000 0.515 399 V N 0.616 120.496 119.914 -0.057 0.000 2.760 399 V HA 0.792 4.919 4.120 0.011 0.000 0.309 399 V C -1.133 174.753 176.094 -0.347 0.000 1.077 399 V CA -0.272 61.805 62.300 -0.371 0.000 0.910 399 V CB 2.182 33.750 31.823 -0.424 0.000 1.008 399 V HN 1.220 nan 8.190 nan 0.000 0.424 400 S N 5.438 120.784 115.700 -0.589 0.000 2.542 400 S HA 0.796 5.273 4.470 0.011 0.000 0.293 400 S C -1.192 172.879 174.600 -0.881 0.000 1.089 400 S CA -0.300 57.565 58.200 -0.557 0.000 0.961 400 S CB 1.662 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 5.162 4.527 0.011 0.000 0.325 401 F C -0.898 174.303 175.800 -1.000 0.000 1.066 401 F CA -0.663 56.871 58.000 -0.778 0.000 0.946 401 F CB 1.365 40.023 39.000 -0.570 0.000 1.199 401 F HN 0.459 nan 8.300 nan 0.000 0.473 402 Y N 0.494 120.690 120.300 -0.173 0.000 2.331 402 Y HA 0.556 5.113 4.550 0.011 0.000 0.326 402 Y C 0.221 176.049 175.900 -0.120 0.000 1.020 402 Y CA -1.488 56.555 58.100 -0.095 0.000 1.136 402 Y CB 1.758 40.216 38.460 -0.002 0.000 1.157 402 Y HN 0.853 nan 8.280 nan 0.000 0.444 403 G N 1.388 110.205 108.800 0.028 0.000 2.854 403 G HA2 0.405 4.372 3.960 0.011 0.000 0.686 403 G HA3 0.405 4.372 3.960 0.011 0.000 0.686 403 G C 0.041 174.687 174.900 -0.423 0.000 1.202 403 G CA -0.069 44.999 45.100 -0.053 0.000 0.878 403 G HN 1.849 nan 8.290 nan 0.000 0.583 404 G N 1.008 109.624 108.800 -0.306 0.000 2.549 404 G HA2 0.251 4.218 3.960 0.011 0.000 0.404 404 G HA3 0.251 4.218 3.960 0.011 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 1.206 nan 8.290 nan 0.000 0.512 405 E N -0.298 119.723 120.200 -0.298 0.000 2.033 405 E HA -0.130 4.227 4.350 0.011 0.000 0.199 405 E C 2.550 178.988 176.600 -0.271 0.000 1.011 405 E CA 1.747 58.004 56.400 -0.237 0.000 0.815 405 E CB -0.232 29.330 29.700 -0.231 0.000 0.755 405 E HN 0.509 nan 8.360 nan 0.000 0.451 406 L N 1.644 122.621 121.223 -0.409 0.000 2.645 406 L HA 0.035 4.381 4.340 0.011 0.000 0.235 406 L C 0.738 177.414 176.870 -0.323 0.000 1.150 406 L CA -0.470 54.107 54.840 -0.439 0.000 0.911 406 L CB -0.809 40.687 42.059 -0.938 0.000 1.077 406 L HN -0.004 nan 8.230 nan 0.000 0.438 407 N N 1.323 119.864 118.700 -0.266 0.000 2.292 407 N HA 0.027 4.774 4.740 0.011 0.000 0.258 407 N C 1.302 176.703 175.510 -0.182 0.000 1.261 407 N CA 1.415 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 1.450 110.120 108.800 -0.217 0.000 2.205 408 G HA2 -0.296 3.670 3.960 0.011 0.000 0.261 408 G HA3 -0.296 3.670 3.960 0.011 0.000 0.261 408 G C -0.098 174.648 174.900 -0.257 0.000 0.980 408 G CA 0.583 45.563 45.100 -0.199 0.000 0.632 408 G HN 0.700 nan 8.290 nan 0.000 0.533 409 Q N 0.145 119.758 119.800 -0.312 0.000 2.205 409 Q HA 0.677 5.024 4.340 0.011 0.000 0.249 409 Q C -0.359 175.325 176.000 -0.526 0.000 0.948 409 Q CA -0.010 55.535 55.803 -0.430 0.000 0.895 409 Q CB 1.502 29.947 28.738 -0.487 0.000 1.249 409 Q HN 0.236 nan 8.270 nan 0.000 0.458 410 T N 0.854 114.994 114.554 -0.689 0.000 2.909 410 T HA 0.646 5.002 4.350 0.011 0.000 0.299 410 T C -1.307 172.930 174.700 -0.771 0.000 1.073 410 T CA -0.574 61.193 62.100 -0.554 0.000 0.999 410 T CB 0.668 69.350 68.868 -0.310 0.000 1.098 410 T HN 0.284 nan 8.240 nan 0.000 0.477 411 F N 1.179 121.125 119.950 -0.007 0.000 2.547 411 F HA 0.507 5.040 4.527 0.011 0.000 0.316 411 F C 1.252 177.085 175.800 0.055 0.000 1.121 411 F CA -0.916 57.117 58.000 0.054 0.000 0.911 411 F CB 2.316 41.408 39.000 0.154 0.000 1.179 411 F HN 0.711 nan 8.300 nan 0.000 0.443 412 T N -3.615 111.070 114.554 0.218 0.000 3.016 412 T HA 0.059 4.415 4.350 0.011 0.000 0.271 412 T C -0.123 174.669 174.700 0.153 0.000 0.968 412 T CA -0.238 61.951 62.100 0.148 0.000 0.891 412 T CB -0.209 68.704 68.868 0.074 0.000 1.149 412 T HN 0.510 nan 8.240 nan 0.000 0.524 413 D N 2.431 122.931 120.400 0.168 0.000 2.344 413 D HA 0.180 4.826 4.640 0.011 0.000 0.253 413 D C -1.854 174.530 176.300 0.140 0.000 1.255 413 D CA -1.526 52.550 54.000 0.128 0.000 0.894 413 D CB 1.652 42.514 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 -1.460 175.910 177.300 0.115 0.000 1.073 414 P CA 2.349 65.548 63.100 0.165 0.000 1.008 414 P CB -1.010 30.762 31.700 0.119 0.000 0.760 415 P HA -0.192 nan 4.420 nan 0.000 0.215 415 P C 1.613 178.907 177.300 -0.010 0.000 1.163 415 P CA 2.330 65.426 63.100 -0.006 0.000 0.894 415 P CB -0.752 30.939 31.700 -0.015 0.000 0.791 416 T N -1.015 113.550 114.554 0.019 0.000 2.788 416 T HA -0.099 4.257 4.350 0.011 0.000 0.268 416 T C 1.772 176.551 174.700 0.132 0.000 1.044 416 T CA 1.224 63.311 62.100 -0.022 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 1.521 121.598 119.914 0.271 0.000 2.295 417 V HA -0.189 3.938 4.120 0.011 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 0.179 120.691 120.400 0.187 0.000 2.097 418 K HA -0.171 4.156 4.320 0.011 0.000 0.206 418 K C 2.508 179.076 176.600 -0.053 0.000 1.049 418 K CA 1.563 57.756 56.287 -0.158 0.000 0.933 418 K CB -0.389 31.871 32.500 -0.400 0.000 0.717 418 K HN 0.449 nan 8.250 nan 0.000 0.442 419 S N 0.515 116.185 115.700 -0.049 0.000 2.359 419 S HA -0.213 4.264 4.470 0.011 0.000 0.222 419 S C 1.955 176.538 174.600 -0.027 0.000 1.038 419 S CA 1.345 59.472 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 1.783 122.178 120.300 0.157 0.000 2.224 420 Y HA 0.103 4.659 4.550 0.011 0.000 0.289 420 Y C 2.790 178.881 175.900 0.318 0.000 1.146 420 Y CA 0.575 58.840 58.100 0.274 0.000 1.182 420 Y CB -1.065 37.619 38.460 0.373 0.000 0.983 420 Y HN 0.397 nan 8.280 nan 0.000 0.524 421 A N 0.084 123.155 122.820 0.419 0.000 1.902 421 A HA -0.238 4.088 4.320 0.011 0.000 0.217 421 A C 2.242 179.832 177.584 0.010 0.000 1.181 421 A CA 1.845 53.920 52.037 0.063 0.000 0.623 421 A CB -0.672 18.390 19.000 0.104 0.000 0.818 421 A HN 0.360 nan 8.150 nan 0.000 0.443 422 R N -0.876 119.628 120.500 0.007 0.000 2.200 422 R HA -0.121 4.225 4.340 0.011 0.000 0.234 422 R C 1.680 177.937 176.300 -0.072 0.000 1.127 422 R CA 1.677 57.751 56.100 -0.045 0.000 0.989 422 R CB -0.087 30.195 30.300 -0.030 0.000 0.869 422 R HN 0.330 nan 8.270 nan 0.000 0.459 423 K N -0.913 119.533 120.400 0.076 0.000 2.202 423 K HA 0.255 4.581 4.320 0.011 0.000 0.201 423 K C 1.614 178.322 176.600 0.181 0.000 1.051 423 K CA 0.982 57.380 56.287 0.185 0.000 0.977 423 K CB -0.088 32.636 32.500 0.373 0.000 0.792 423 K HN 0.177 nan 8.250 nan 0.000 0.469 424 A N 1.042 123.987 122.820 0.207 0.000 1.986 424 A HA -0.188 4.138 4.320 0.011 0.000 0.220 424 A C 2.065 179.757 177.584 0.181 0.000 1.171 424 A CA 1.428 53.608 52.037 0.239 0.000 0.640 424 A CB -0.811 18.303 19.000 0.190 0.000 0.811 424 A HN 0.281 nan 8.150 nan 0.000 0.451 425 I N -1.447 119.116 120.570 -0.011 0.000 2.300 425 I HA -0.282 3.894 4.170 0.011 0.000 0.252 425 I C 1.322 177.508 176.117 0.115 0.000 1.119 425 I CA 1.333 62.603 61.300 -0.050 0.000 1.384 425 I CB -0.257 37.580 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 0.348 4.882 4.527 0.011 0.000 0.302 426 F C 1.417 177.588 175.800 0.619 0.000 1.111 426 F CA 0.349 58.594 58.000 0.408 0.000 1.359 426 F CB -0.802 38.504 39.000 0.511 0.000 1.097 426 F HN 0.133 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 3.778 3.960 0.011 0.000 0.218 427 G HA3 -0.188 3.778 3.960 0.011 0.000 0.218 427 G C -0.619 174.657 174.900 0.626 0.000 1.237 427 G CA -1.035 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 0.562 121.131 120.200 0.616 0.000 2.558 428 E HA 0.178 4.534 4.350 0.011 0.000 0.255 428 E C 0.787 177.674 176.600 0.478 0.000 0.968 428 E CA 0.368 57.085 56.400 0.528 0.000 0.939 428 E CB 0.252 30.230 29.700 0.462 0.000 0.921 428 E HN 0.469 nan 8.360 nan 0.000 0.477 429 I N 4.114 124.889 120.570 0.342 0.000 2.416 429 I HA 0.127 4.303 4.170 0.011 0.000 0.288 429 I C 0.294 176.397 176.117 -0.023 0.000 1.051 429 I CA 0.079 61.542 61.300 0.272 0.000 1.375 429 I CB 0.153 38.352 38.000 0.331 0.000 1.407 429 I HN 0.249 nan 8.210 nan 0.000 0.516 430 F N 3.739 123.712 119.950 0.038 0.000 2.618 430 F HA 0.403 4.937 4.527 0.011 0.000 0.332 430 F C 0.371 175.917 175.800 -0.422 0.000 1.061 430 F CA -0.758 57.097 58.000 -0.242 0.000 0.974 430 F CB 1.408 40.058 39.000 -0.583 0.000 1.310 430 F HN 0.361 nan 8.300 nan 0.000 0.491 431 E N 1.586 121.620 120.200 -0.277 0.000 2.073 431 E HA 0.352 4.709 4.350 0.011 0.000 0.269 431 E C -1.637 174.738 176.600 -0.376 0.000 0.917 431 E CA -0.368 55.886 56.400 -0.243 0.000 0.757 431 E CB 0.599 30.221 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 4.743 4.527 0.010 0.000 0.328 432 F C 0.582 176.380 175.800 -0.004 0.000 1.084 432 F CA -0.968 57.047 58.000 0.025 0.000 1.053 432 F CB 0.968 39.990 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 0.175 0.000 2.443 433 D HA 0.123 4.769 4.640 0.011 0.000 0.221 433 D C 0.790 177.133 176.300 0.073 0.000 1.097 433 D CA -0.356 53.690 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 4.347 4.350 0.011 0.000 0.257 434 T C 1.239 175.937 174.700 -0.003 0.000 1.105 434 T CA 0.224 62.335 62.100 0.019 0.000 1.104 434 T CB 0.098 68.971 68.868 0.007 0.000 0.925 434 T HN 0.162 nan 8.240 nan 0.000 0.498 435 E N 2.095 122.294 120.200 -0.003 0.000 1.997 435 E HA -0.100 4.256 4.350 0.011 0.000 0.201 435 E C 2.391 178.980 176.600 -0.018 0.000 1.011 435 E CA 1.853 58.245 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 2.848 117.389 114.554 -0.022 0.000 2.442 436 T HA -0.249 4.107 4.350 0.011 0.000 0.237 436 T C 1.962 176.644 174.700 -0.030 0.000 1.361 436 T CA 2.274 64.355 62.100 -0.030 0.000 1.127 436 T CB -0.823 68.022 68.868 -0.039 0.000 0.845 436 T HN 0.154 nan 8.240 nan 0.000 0.433 437 L N 1.460 122.666 121.223 -0.029 0.000 2.610 437 L HA 0.195 4.541 4.340 0.011 0.000 0.232 437 L C 0.946 177.802 176.870 -0.024 0.000 1.149 437 L CA 0.194 55.017 54.840 -0.028 0.000 0.872 437 L CB -1.012 41.030 42.059 -0.029 0.000 0.992 437 L HN 0.463 nan 8.230 nan 0.000 0.447 438 N N 0.539 119.224 118.700 -0.024 0.000 2.727 438 N HA -0.183 4.563 4.740 0.011 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 -0.928 37.547 38.487 -0.020 0.000 0.912 438 N HN 0.261 nan 8.380 nan 0.000 0.545 439 S N 0.276 115.954 115.700 -0.037 0.000 2.584 439 S HA 0.149 4.626 4.470 0.011 0.000 0.270 439 S C 1.120 175.683 174.600 -0.062 0.000 1.346 439 S CA 0.140 58.307 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 -1.260 119.093 120.400 -0.079 0.000 2.441 440 D HA 0.283 4.930 4.640 0.011 0.000 0.210 440 D C 1.007 177.235 176.300 -0.119 0.000 1.102 440 D CA 0.264 54.217 54.000 -0.079 0.000 0.840 440 D CB -0.340 40.425 40.800 -0.058 0.000 0.990 440 D HN 0.780 nan 8.370 nan 0.000 0.505 441 G N 0.544 109.235 108.800 -0.181 0.000 2.160 441 G HA2 -0.231 3.736 3.960 0.011 0.000 0.244 441 G HA3 -0.231 3.736 3.960 0.011 0.000 0.244 441 G C -0.137 174.539 174.900 -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 0.477 120.858 120.570 -0.316 0.000 2.410 442 I HA 0.401 4.577 4.170 0.011 0.000 0.286 442 I C 0.369 176.339 176.117 -0.246 0.000 1.009 442 I CA -1.254 59.874 61.300 -0.286 0.000 1.111 442 I CB 0.893 38.827 38.000 -0.109 0.000 1.262 442 I HN -0.050 nan 8.210 nan 0.000 0.443 443 F N 5.486 125.349 119.950 -0.146 0.000 2.635 443 F HA 0.044 4.578 4.527 0.011 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 0.054 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 0.542 121.112 120.500 0.117 0.000 2.854 444 R HA 0.470 4.816 4.340 0.011 0.000 0.271 444 R C -0.285 176.051 176.300 0.060 0.000 0.994 444 R CA -1.036 55.118 56.100 0.090 0.000 0.945 444 R CB 2.061 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 0.268 114.827 114.554 0.009 0.000 2.899 445 T HA 0.230 4.586 4.350 0.011 0.000 0.284 445 T C 0.255 175.023 174.700 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 -0.326 0.000 1.013 445 T HN 0.651 nan 8.240 nan 0.000 0.518 446 S N 3.438 119.218 115.700 0.133 0.000 2.645 446 S HA 0.361 4.838 4.470 0.011 0.000 0.266 446 S C -1.868 172.974 174.600 0.403 0.000 1.258 446 S CA -1.131 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 -0.156 nan 4.420 nan 0.000 0.216 447 P C 1.708 179.373 177.300 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 32.047 31.700 0.645 0.000 0.789 448 R N -0.221 120.535 120.500 0.427 0.000 2.113 448 R HA -0.160 4.186 4.340 0.011 0.000 0.244 448 R C 2.288 178.815 176.300 0.378 0.000 1.142 448 R CA 2.282 58.554 56.100 0.287 0.000 0.953 448 R CB -1.347 29.019 30.300 0.109 0.000 0.860 448 R HN 0.180 nan 8.270 nan 0.000 0.438 449 G N -0.299 108.695 108.800 0.324 0.000 2.421 449 G HA2 -0.265 3.701 3.960 0.011 0.000 0.216 449 G HA3 -0.265 3.701 3.960 0.011 0.000 0.216 449 G C 1.041 176.045 174.900 0.174 0.000 1.171 449 G CA 0.737 46.006 45.100 0.282 0.000 0.775 449 G HN 0.487 nan 8.290 nan 0.000 0.543 450 W N -0.121 121.358 121.300 0.299 0.000 2.355 450 W HA 0.050 4.717 4.660 0.011 0.000 0.309 450 W C 2.257 178.975 176.519 0.332 0.000 1.206 450 W CA 0.574 58.070 57.345 0.251 0.000 1.284 450 W CB -0.604 28.955 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 4.215 4.527 0.010 0.000 0.300 451 F C 2.321 178.397 175.800 0.460 0.000 1.095 451 F CA 2.416 60.800 58.000 0.641 0.000 1.249 451 F CB -0.701 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 4.129 4.350 0.011 0.000 0.267 452 T C 1.567 176.316 174.700 0.082 0.000 1.039 452 T CA 1.608 63.905 62.100 0.328 0.000 1.142 452 T CB -0.712 68.304 68.868 0.247 0.000 0.866 452 T HN 0.417 nan 8.240 nan 0.000 0.444 453 F N 2.363 122.267 119.950 -0.076 0.000 2.084 453 F HA 0.061 4.594 4.527 0.010 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 -0.916 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 -0.152 122.430 122.820 -0.396 0.000 1.883 454 A HA -0.262 4.064 4.320 0.011 0.000 0.217 454 A C 1.924 178.924 177.584 -0.974 0.000 1.186 454 A CA 2.241 53.769 52.037 -0.848 0.000 0.624 454 A CB -1.448 17.230 19.000 -0.536 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 4.798 4.556 0.010 0.000 0.296 455 H C 2.339 177.435 175.328 -0.387 0.000 1.062 455 H CA 1.126 56.957 56.048 -0.362 0.000 1.350 455 H CB -0.142 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 4.232 4.320 0.011 0.000 0.218 456 A C 2.402 179.717 177.584 -0.449 0.000 1.169 456 A CA 1.381 53.210 52.037 -0.346 0.000 0.635 456 A CB -0.601 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 -1.053 118.506 119.914 -0.591 0.000 2.239 457 V HA -0.158 3.968 4.120 0.011 0.000 0.242 457 V C 2.230 178.122 176.094 -0.336 0.000 1.038 457 V CA 1.806 63.779 62.300 -0.545 0.000 1.002 457 V CB -1.102 30.209 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 -0.313 4.220 4.527 0.011 0.000 0.299 458 F C 2.488 178.198 175.800 -0.149 0.000 1.096 458 F CA 1.553 59.419 58.000 -0.223 0.000 1.227 458 F CB -1.616 37.151 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 4.112 4.320 0.011 0.000 0.217 459 A C 2.183 179.645 177.584 -0.203 0.000 1.198 459 A CA 1.858 53.708 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 -0.513 120.534 121.223 -0.294 0.000 2.187 460 L HA -0.101 4.245 4.340 0.011 0.000 0.213 460 L C 2.191 179.125 176.870 0.106 0.000 1.100 460 L CA 1.481 56.328 54.840 0.013 0.000 0.765 460 L CB -0.422 41.659 42.059 0.036 0.000 0.904 460 L HN 0.436 nan 8.230 nan 0.000 0.437 461 L N -2.388 118.913 121.223 0.129 0.000 2.095 461 L HA -0.152 4.195 4.340 0.011 0.000 0.204 461 L C 2.300 179.340 176.870 0.283 0.000 1.080 461 L CA 0.997 55.952 54.840 0.192 0.000 0.759 461 L CB -0.367 41.810 42.059 0.197 0.000 0.914 461 L HN 0.190 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 4.242 4.527 0.010 0.000 0.300 462 F C 2.339 178.227 175.800 0.147 0.000 1.085 462 F CA 1.247 59.345 58.000 0.164 0.000 1.326 462 F CB -0.253 38.869 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 -0.109 0.000 2.091 463 F HA -0.346 4.188 4.527 0.011 0.000 0.299 463 F C 2.219 178.052 175.800 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 4.470 4.527 0.011 0.000 0.301 464 F C 2.288 178.086 175.800 -0.004 0.000 1.082 464 F CA 1.724 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 -1.376 107.497 108.800 0.122 0.000 2.402 465 G HA2 -0.330 3.637 3.960 0.011 0.000 0.216 465 G HA3 -0.330 3.637 3.960 0.011 0.000 0.216 465 G C 1.400 176.352 174.900 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 0.765 119.830 119.070 -0.008 0.000 2.267 466 H HA -0.040 4.523 4.556 0.011 0.000 0.297 466 H C 2.413 177.645 175.328 -0.161 0.000 1.080 466 H CA 1.540 57.588 56.048 0.000 0.000 1.278 466 H CB -0.422 29.400 29.762 0.099 0.000 1.365 466 H HN 0.185 nan 8.280 nan 0.000 0.489 467 I N 0.564 120.787 120.570 -0.578 0.000 2.248 467 I HA -0.293 3.883 4.170 0.011 0.000 0.248 467 I C 2.559 178.402 176.117 -0.457 0.000 1.107 467 I CA 1.390 62.312 61.300 -0.629 0.000 1.373 467 I CB -0.879 36.734 38.000 -0.646 0.000 1.055 467 I HN 0.563 nan 8.210 nan 0.000 0.418 468 W N 0.641 121.557 121.300 -0.639 0.000 2.413 468 W HA -0.198 4.468 4.660 0.011 0.000 0.315 468 W C 2.582 178.879 176.519 -0.369 0.000 1.186 468 W CA 1.461 58.477 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 0.189 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 4.473 4.556 0.011 0.000 0.299 469 H C 2.454 177.597 175.328 -0.309 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 -0.245 3.721 3.960 0.011 0.000 0.216 470 G HA3 -0.245 3.721 3.960 0.011 0.000 0.216 470 G C 2.034 176.820 174.900 -0.189 0.000 1.200 470 G CA 1.569 46.543 45.100 -0.211 0.000 0.782 470 G HN 0.516 nan 8.290 nan 0.000 0.554 471 A N 0.681 123.350 122.820 -0.251 0.000 1.873 471 A HA -0.143 4.183 4.320 0.011 0.000 0.218 471 A C 2.323 179.814 177.584 -0.154 0.000 1.193 471 A CA 2.059 54.000 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 -1.089 119.133 120.500 -0.464 0.000 2.341 472 R HA -0.082 4.264 4.340 0.011 0.000 0.213 472 R C 1.389 177.502 176.300 -0.311 0.000 1.082 472 R CA 1.556 57.336 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 0.566 nan 8.270 nan 0.000 0.473 473 T N -0.149 114.292 114.554 -0.188 0.000 3.033 473 T HA 0.122 4.478 4.350 0.011 0.000 0.248 473 T C 1.409 176.037 174.700 -0.119 0.000 1.040 473 T CA 0.292 62.305 62.100 -0.146 0.000 1.133 473 T CB 0.229 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 -0.185 120.988 121.223 -0.084 0.000 2.492 474 L HA 0.264 4.611 4.340 0.011 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 -0.220 0.000 0.850 474 L CB -0.138 41.777 42.059 -0.241 0.000 0.966 474 L HN 0.257 nan 8.230 nan 0.000 0.454 475 F N -1.559 118.311 119.950 -0.135 0.000 2.791 475 F HA 0.263 4.796 4.527 0.011 0.000 0.316 475 F C 1.961 177.717 175.800 -0.072 0.000 1.134 475 F CA -0.365 57.583 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 4.135 4.340 0.011 0.000 0.242 476 R C 2.100 178.447 176.300 0.077 0.000 1.142 476 R CA 2.451 58.531 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 0.062 120.491 120.400 0.048 0.000 2.106 477 D HA -0.156 4.490 4.640 0.011 0.000 0.191 477 D C 1.664 178.028 176.300 0.107 0.000 0.997 477 D CA 1.945 55.980 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 -2.707 117.294 119.914 0.144 0.000 3.510 478 V HA 0.145 4.272 4.120 0.011 0.000 0.270 478 V C 1.080 177.285 176.094 0.185 0.000 1.201 478 V CA -0.452 61.941 62.300 0.155 0.000 1.166 478 V CB -1.723 30.216 31.823 0.193 0.000 0.825 478 V HN -0.065 nan 8.190 nan 0.000 0.484 479 F N 1.812 121.780 119.950 0.030 0.000 2.535 479 F HA 0.424 4.957 4.527 0.011 0.000 0.332 479 F C 1.680 177.484 175.800 0.007 0.000 1.208 479 F CA 0.933 58.935 58.000 0.002 0.000 1.330 479 F CB 0.840 39.832 39.000 -0.013 0.000 1.167 479 F HN 0.315 nan 8.300 nan 0.000 0.597 480 S N -0.275 115.166 115.700 -0.432 0.000 2.361 480 S HA -0.107 4.370 4.470 0.011 0.000 0.247 480 S C 0.227 174.737 174.600 -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 0.292 109.037 108.800 -0.091 0.000 2.346 481 G HA2 0.416 4.382 3.960 0.011 0.000 0.294 481 G HA3 0.416 4.382 3.960 0.011 0.000 0.294 481 G C -0.686 174.213 174.900 -0.002 0.000 1.294 481 G CA -0.280 44.791 45.100 -0.047 0.000 0.962 481 G HN 1.267 nan 8.290 nan 0.000 0.508 482 I N -3.829 116.742 120.570 0.001 0.000 3.786 482 I HA 1.022 5.199 4.170 0.011 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 2.470 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 -0.505 119.902 120.400 0.011 0.000 2.783 483 D HA 0.402 5.048 4.640 0.011 0.000 0.253 483 D C -2.542 173.763 176.300 0.008 0.000 1.206 483 D CA 0.115 54.120 54.000 0.008 0.000 0.740 483 D CB 0.954 41.758 40.800 0.007 0.000 1.313 483 D HN 0.641 nan 8.370 nan 0.000 0.427 484 P HA -0.131 nan 4.420 nan 0.000 0.299 484 P C -0.249 177.054 177.300 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 -2.378 117.825 120.200 0.005 0.000 9.214 485 E HA -0.193 4.163 4.350 0.011 0.000 0.465 485 E C -1.340 175.263 176.600 0.005 0.000 1.407 485 E CA 0.351 56.754 56.400 0.005 0.000 2.446 485 E CB -1.056 28.647 29.700 0.005 0.000 1.031 485 E HN 0.556 nan 8.360 nan 0.000 0.329 486 L N 2.483 123.709 121.223 0.005 0.000 2.367 486 L HA 0.239 4.585 4.340 0.011 0.000 0.263 486 L C 0.501 177.373 176.870 0.005 0.000 1.533 486 L CA 0.497 55.340 54.840 0.005 0.000 0.761 486 L CB 0.131 42.193 42.059 0.004 0.000 0.943 486 L HN 0.842 nan 8.230 nan 0.000 0.526 487 S N 1.268 116.971 115.700 0.006 0.000 2.355 487 S HA 0.278 4.754 4.470 0.011 0.000 0.216 487 S C -0.506 174.097 174.600 0.006 0.000 1.037 487 S CA 0.804 59.007 58.200 0.005 0.000 0.955 487 S CB -0.753 62.451 63.200 0.005 0.000 0.877 487 S HN 0.475 nan 8.310 nan 0.000 0.488 488 P HA -0.243 nan 4.420 nan 0.000 0.274 488 P C -0.198 177.106 177.300 0.007 0.000 0.809 488 P CA 2.129 65.233 63.100 0.008 0.000 1.024 488 P CB -0.523 31.182 31.700 0.008 0.000 0.888 489 E N 1.364 121.568 120.200 0.006 0.000 2.975 489 E HA 0.013 4.369 4.350 0.011 0.000 0.301 489 E C 0.163 176.765 176.600 0.004 0.000 1.554 489 E CA 0.547 56.951 56.400 0.005 0.000 1.716 489 E CB -1.082 28.621 29.700 0.005 0.000 1.365 489 E HN 0.545 nan 8.360 nan 0.000 0.469 490 Q N -2.003 117.799 119.800 0.004 0.000 2.643 490 Q HA 0.246 4.592 4.340 0.011 0.000 0.225 490 Q C -0.437 175.565 176.000 0.003 0.000 0.786 490 Q CA -0.411 55.394 55.803 0.003 0.000 0.953 490 Q CB 0.325 29.065 28.738 0.003 0.000 1.517 490 Q HN -0.039 nan 8.270 nan 0.000 0.457 491 V N 0.000 119.916 119.914 0.003 0.000 2.409 491 V HA 0.000 4.126 4.120 0.011 0.000 0.244 491 V CA 0.000 62.301 62.300 0.002 0.000 1.235 491 V CB 0.000 31.824 31.823 0.002 0.000 1.184 491 V HN 0.000 nan 8.190 nan 0.000 0.556