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 3c7h_1_A DATA FIRST_RESID 1 DATA SEQUENCE ATSTTIAKHI GNSNPLIDHH LGADPVALTY NGRVYIYMSS DDYEYNSNGT DATA SEQUENCE IKDNSFANLN RVFVISSADM VNWTDHGAIP VAGANGANGG RGIAKWAGAS DATA SEQUENCE WAPSIAVKKI NGKDKFFLYF ANSGGGIGVL TADSPIGPWT DPIGKPLVTP DATA SEQUENCE STPGMSGVVW LFDPAVFVDD DGTGYLYAGG GVPGVSNPTQ GQWANPKTAR DATA SEQUENCE VIKLGPDMTS VVGSASTIDA PFMFEDSGLH KYNGTYYYSY CINFGGTHPA DATA SEQUENCE DKPPGEIGYM TSSSPMGPFT YRGHFLKNPG AFFGGGGNNH HAVFNFKNEW DATA SEQUENCE YVVYHAQTVS SALFGAGKGY RSPHINKLVH NADGSIQEVA ANYAGVTQIS DATA SEQUENCE NLNPYNRVEA ETFAWNGRIL TEKSTAPGGP VNNQHVTSIQ NGDWIAVGNA DATA SEQUENCE DFGAGGARSF KANVASTLGG KIEVRLDSAD GKLVGTLNVP STGGAQTWRE DATA SEQUENCE IETAVSGATG VHKVFFVFTG TGTGNLFNFD YWQFTQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.617 177.584 0.055 0.000 1.274 1 A CA 0.000 52.050 52.037 0.021 0.000 0.836 1 A CB 0.000 18.873 19.000 -0.211 0.000 0.831 2 T N -1.650 112.997 114.554 0.154 0.000 3.028 2 T HA 0.266 4.618 4.350 0.004 0.000 0.250 2 T C 0.935 175.740 174.700 0.175 0.000 0.979 2 T CA 0.960 63.129 62.100 0.114 0.000 1.004 2 T CB -0.282 68.630 68.868 0.073 0.000 1.120 2 T HN 0.784 nan 8.240 nan 0.000 0.482 3 S N 3.077 118.923 115.700 0.242 0.000 2.568 3 S HA 0.449 4.922 4.470 0.004 0.000 0.282 3 S C 0.531 175.332 174.600 0.334 0.000 1.338 3 S CA -0.281 58.038 58.200 0.198 0.000 1.045 3 S CB 0.738 63.978 63.200 0.067 0.000 0.873 3 S HN 0.832 nan 8.310 nan 0.000 0.516 4 T N -0.934 113.743 114.554 0.206 0.000 2.945 4 T HA 0.606 4.958 4.350 0.004 0.000 0.286 4 T C 0.127 174.955 174.700 0.214 0.000 1.025 4 T CA -1.030 61.218 62.100 0.248 0.000 1.039 4 T CB 0.945 69.900 68.868 0.146 0.000 1.068 4 T HN 0.609 nan 8.240 nan 0.000 0.497 5 T N 0.216 114.959 114.554 0.314 0.000 2.919 5 T HA 0.344 4.697 4.350 0.004 0.000 0.302 5 T C 1.496 176.315 174.700 0.198 0.000 1.031 5 T CA -0.763 61.495 62.100 0.263 0.000 1.127 5 T CB 0.115 69.237 68.868 0.424 0.000 0.952 5 T HN 0.559 nan 8.240 nan 0.000 0.540 6 I N 1.571 122.199 120.570 0.096 0.000 2.193 6 I HA 0.034 4.206 4.170 0.004 0.000 0.240 6 I C 2.412 178.548 176.117 0.031 0.000 1.084 6 I CA 1.677 63.006 61.300 0.048 0.000 1.365 6 I CB -0.379 37.620 38.000 -0.001 0.000 1.064 6 I HN 0.875 nan 8.210 nan 0.000 0.410 7 A N -1.183 121.586 122.820 -0.085 0.000 1.827 7 A HA 0.150 4.473 4.320 0.004 0.000 0.196 7 A C 0.978 178.248 177.584 -0.524 0.000 1.833 7 A CA -0.289 51.593 52.037 -0.257 0.000 1.363 7 A CB 0.218 19.187 19.000 -0.051 0.000 1.439 7 A HN 0.074 nan 8.150 nan 0.000 0.391 8 K N 2.345 122.617 120.400 -0.213 0.000 2.250 8 K HA 0.273 4.596 4.320 0.004 0.000 0.280 8 K C -0.973 175.693 176.600 0.111 0.000 1.098 8 K CA -0.435 55.832 56.287 -0.034 0.000 0.916 8 K CB -0.051 32.523 32.500 0.123 0.000 1.209 8 K HN 0.463 nan 8.250 nan 0.000 0.461 9 H N 3.251 122.454 119.070 0.221 0.000 2.505 9 H HA 0.155 4.713 4.556 0.003 0.000 0.351 9 H C 0.579 175.861 175.328 -0.077 0.000 1.151 9 H CA -0.685 55.427 56.048 0.107 0.000 1.339 9 H CB 0.743 30.515 29.762 0.016 0.000 1.483 9 H HN 0.494 nan 8.280 nan 0.000 0.558 10 I N 1.142 121.573 120.570 -0.232 0.000 2.821 10 I HA -0.107 4.065 4.170 0.004 0.000 0.294 10 I C 1.481 177.211 176.117 -0.646 0.000 1.210 10 I CA 1.610 62.302 61.300 -1.012 0.000 1.430 10 I CB 0.001 37.670 38.000 -0.551 0.000 1.356 10 I HN 0.973 nan 8.210 nan 0.000 0.563 11 G N 3.742 112.053 108.800 -0.815 0.000 2.213 11 G HA2 -0.236 3.726 3.960 0.004 0.000 0.236 11 G HA3 -0.236 3.726 3.960 0.004 0.000 0.236 11 G C 0.117 175.144 174.900 0.212 0.000 0.991 11 G CA -0.408 44.611 45.100 -0.135 0.000 0.629 11 G HN 0.556 nan 8.290 nan 0.000 0.517 12 N N -0.084 118.817 118.700 0.334 0.000 2.430 12 N HA 0.694 5.436 4.740 0.004 0.000 0.298 12 N C 0.720 176.521 175.510 0.485 0.000 1.130 12 N CA 0.048 53.320 53.050 0.370 0.000 0.894 12 N CB 1.762 40.431 38.487 0.304 0.000 1.209 12 N HN 0.010 nan 8.380 nan 0.000 0.503 13 S N -0.104 115.778 115.700 0.302 0.000 2.523 13 S HA 0.244 4.716 4.470 0.004 0.000 0.217 13 S C -0.018 174.623 174.600 0.069 0.000 0.996 13 S CA -0.187 58.142 58.200 0.214 0.000 0.921 13 S CB 0.131 63.446 63.200 0.191 0.000 0.829 13 S HN 0.465 nan 8.310 nan 0.000 0.495 14 N N 2.244 120.942 118.700 -0.003 0.000 2.319 14 N HA 0.438 5.180 4.740 0.004 0.000 0.305 14 N C -2.976 172.380 175.510 -0.257 0.000 1.103 14 N CA -1.729 51.116 53.050 -0.342 0.000 0.815 14 N CB 1.326 39.453 38.487 -0.600 0.000 1.288 14 N HN 0.022 nan 8.380 nan 0.000 0.493 15 P HA 0.083 nan 4.420 nan 0.000 0.271 15 P C 0.975 178.073 177.300 -0.336 0.000 1.233 15 P CA -0.238 62.533 63.100 -0.549 0.000 0.789 15 P CB 1.178 32.744 31.700 -0.222 0.000 0.951 16 L N 0.343 121.317 121.223 -0.414 0.000 2.083 16 L HA -0.048 4.295 4.340 0.004 0.000 0.209 16 L C 1.389 177.975 176.870 -0.473 0.000 1.083 16 L CA 1.556 56.062 54.840 -0.556 0.000 0.752 16 L CB -0.657 40.738 42.059 -1.107 0.000 0.899 16 L HN 0.423 nan 8.230 nan 0.000 0.433 17 I N -4.005 116.332 120.570 -0.388 0.000 2.865 17 I HA 0.370 4.543 4.170 0.004 0.000 0.302 17 I C -0.839 175.177 176.117 -0.167 0.000 1.140 17 I CA -0.799 60.355 61.300 -0.243 0.000 1.021 17 I CB 2.172 39.932 38.000 -0.400 0.000 1.233 17 I HN -0.111 nan 8.210 nan 0.000 0.427 18 D N 1.081 121.469 120.400 -0.020 0.000 2.538 18 D HA -0.033 4.609 4.640 0.004 0.000 0.241 18 D C 1.048 177.367 176.300 0.031 0.000 1.297 18 D CA 0.148 54.134 54.000 -0.023 0.000 0.804 18 D CB -0.401 40.403 40.800 0.008 0.000 1.122 18 D HN 0.776 nan 8.370 nan 0.000 0.519 19 H N 0.270 119.303 119.070 -0.062 0.000 2.551 19 H HA 0.181 4.739 4.556 0.004 0.000 0.266 19 H C -0.215 175.148 175.328 0.058 0.000 0.977 19 H CA 0.880 56.936 56.048 0.014 0.000 1.163 19 H CB -0.386 29.441 29.762 0.108 0.000 1.381 19 H HN 0.477 nan 8.280 nan 0.000 0.581 20 H N -1.904 116.944 119.070 -0.370 0.000 2.883 20 H HA 0.568 5.126 4.556 0.005 0.000 0.277 20 H C -1.294 173.894 175.328 -0.234 0.000 1.451 20 H CA -1.033 54.848 56.048 -0.278 0.000 1.157 20 H CB 0.601 30.117 29.762 -0.410 0.000 1.851 20 H HN 0.004 nan 8.280 nan 0.000 0.566 21 L N -0.398 120.869 121.223 0.072 0.000 2.440 21 L HA 0.826 5.169 4.340 0.004 0.000 0.262 21 L C 0.216 177.230 176.870 0.241 0.000 1.072 21 L CA -0.532 54.328 54.840 0.032 0.000 0.798 21 L CB 1.591 43.594 42.059 -0.093 0.000 1.307 21 L HN 1.037 nan 8.230 nan 0.000 0.475 22 G N -0.029 108.830 108.800 0.098 0.000 2.378 22 G HA2 0.570 4.532 3.960 0.004 0.000 0.306 22 G HA3 0.570 4.532 3.960 0.004 0.000 0.306 22 G C -1.611 173.278 174.900 -0.019 0.000 1.413 22 G CA 0.013 45.182 45.100 0.114 0.000 1.123 22 G HN 0.757 nan 8.290 nan 0.000 0.587 23 A N 2.079 124.848 122.820 -0.086 0.000 2.313 23 A HA 0.853 5.175 4.320 0.004 0.000 0.323 23 A C 0.312 177.867 177.584 -0.048 0.000 1.133 23 A CA -0.170 51.822 52.037 -0.074 0.000 0.847 23 A CB 0.673 19.527 19.000 -0.244 0.000 1.308 23 A HN 1.137 nan 8.150 nan 0.000 0.475 24 D N -0.489 119.956 120.400 0.075 0.000 2.697 24 D HA -0.106 4.537 4.640 0.004 0.000 0.238 24 D C -2.354 173.857 176.300 -0.148 0.000 1.152 24 D CA 1.095 54.802 54.000 -0.489 0.000 0.666 24 D CB -1.673 38.652 40.800 -0.791 0.000 1.037 24 D HN 0.413 nan 8.370 nan 0.000 0.423 25 P HA 0.288 nan 4.420 nan 0.000 0.274 25 P C -0.102 177.287 177.300 0.148 0.000 1.231 25 P CA -0.366 62.779 63.100 0.073 0.000 0.790 25 P CB 1.857 33.576 31.700 0.032 0.000 0.951 26 V N 1.100 121.103 119.914 0.147 0.000 3.049 26 V HA 0.747 4.869 4.120 0.004 0.000 0.309 26 V C -1.314 174.868 176.094 0.148 0.000 1.148 26 V CA -0.993 61.406 62.300 0.165 0.000 0.990 26 V CB 2.182 34.116 31.823 0.185 0.000 1.039 26 V HN 0.775 nan 8.190 nan 0.000 0.430 27 A N 4.800 127.658 122.820 0.063 0.000 2.331 27 A HA 0.861 5.183 4.320 0.004 0.000 0.320 27 A C -1.286 176.358 177.584 0.100 0.000 1.138 27 A CA -0.516 51.454 52.037 -0.112 0.000 0.790 27 A CB 1.383 19.820 19.000 -0.938 0.000 1.206 27 A HN 1.206 nan 8.150 nan 0.000 0.470 28 L N 2.640 124.012 121.223 0.249 0.000 2.322 28 L HA 0.723 5.065 4.340 0.004 0.000 0.281 28 L C 0.320 177.400 176.870 0.350 0.000 1.014 28 L CA 0.169 55.213 54.840 0.340 0.000 0.815 28 L CB 1.960 44.288 42.059 0.448 0.000 1.247 28 L HN 0.735 nan 8.230 nan 0.000 0.421 29 T N 1.929 116.708 114.554 0.375 0.000 2.767 29 T HA 0.532 4.884 4.350 0.004 0.000 0.284 29 T C -0.927 174.101 174.700 0.547 0.000 0.973 29 T CA -0.407 61.965 62.100 0.453 0.000 0.996 29 T CB 0.801 69.969 68.868 0.500 0.000 0.927 29 T HN 0.546 nan 8.240 nan 0.000 0.456 30 Y N 3.177 123.739 120.300 0.436 0.000 2.298 30 Y HA 0.324 4.877 4.550 0.005 0.000 0.322 30 Y C -0.429 175.682 175.900 0.351 0.000 1.138 30 Y CA -0.981 57.348 58.100 0.383 0.000 1.127 30 Y CB 0.774 39.474 38.460 0.400 0.000 1.178 30 Y HN 0.850 nan 8.280 nan 0.000 0.428 31 N N 4.279 122.833 118.700 -0.242 0.000 2.714 31 N HA -0.177 4.565 4.740 0.004 0.000 0.253 31 N C 0.893 176.387 175.510 -0.027 0.000 1.024 31 N CA 1.976 54.861 53.050 -0.275 0.000 0.726 31 N CB -1.129 36.981 38.487 -0.627 0.000 0.908 31 N HN 1.510 nan 8.380 nan 0.000 0.542 32 G N -1.518 107.328 108.800 0.077 0.000 2.176 32 G HA2 -0.341 3.621 3.960 0.004 0.000 0.253 32 G HA3 -0.341 3.621 3.960 0.004 0.000 0.253 32 G C 0.088 175.167 174.900 0.299 0.000 0.979 32 G CA 0.529 45.695 45.100 0.109 0.000 0.641 32 G HN 0.645 nan 8.290 nan 0.000 0.530 33 R N -1.033 119.682 120.500 0.358 0.000 2.795 33 R HA 0.712 5.055 4.340 0.004 0.000 0.275 33 R C -1.063 175.197 176.300 -0.067 0.000 0.981 33 R CA -0.675 55.485 56.100 0.100 0.000 0.917 33 R CB 2.799 32.956 30.300 -0.238 0.000 1.202 33 R HN 0.363 nan 8.270 nan 0.000 0.469 34 V N 2.888 122.375 119.914 -0.712 0.000 2.417 34 V HA 0.474 4.596 4.120 0.004 0.000 0.291 34 V C -1.512 174.346 176.094 -0.394 0.000 1.024 34 V CA -0.493 61.447 62.300 -0.602 0.000 0.861 34 V CB 0.988 32.182 31.823 -1.050 0.000 0.985 34 V HN 0.595 nan 8.190 nan 0.000 0.436 35 Y N 6.617 126.879 120.300 -0.064 0.000 2.341 35 Y HA 0.622 5.176 4.550 0.006 0.000 0.337 35 Y C 0.217 176.048 175.900 -0.115 0.000 1.014 35 Y CA -1.018 57.042 58.100 -0.066 0.000 1.111 35 Y CB 1.721 40.162 38.460 -0.033 0.000 1.194 35 Y HN 0.377 nan 8.280 nan 0.000 0.462 36 I N 4.492 125.006 120.570 -0.093 0.000 2.362 36 I HA 0.248 4.421 4.170 0.004 0.000 0.289 36 I C -0.869 175.133 176.117 -0.192 0.000 0.994 36 I CA -1.455 59.778 61.300 -0.112 0.000 1.158 36 I CB 0.588 38.446 38.000 -0.236 0.000 1.315 36 I HN 0.579 nan 8.210 nan 0.000 0.451 37 Y N 6.298 126.617 120.300 0.033 0.000 2.377 37 Y HA 0.677 5.230 4.550 0.004 0.000 0.339 37 Y C 0.224 176.122 175.900 -0.003 0.000 1.011 37 Y CA -0.668 57.452 58.100 0.033 0.000 1.093 37 Y CB 2.069 40.547 38.460 0.029 0.000 1.201 37 Y HN 0.427 nan 8.280 nan 0.000 0.455 38 M N 1.043 120.703 119.600 0.100 0.000 2.531 38 M HA 0.369 4.851 4.480 0.004 0.000 0.286 38 M C -0.624 175.587 176.300 -0.149 0.000 1.232 38 M CA -0.702 54.592 55.300 -0.010 0.000 0.877 38 M CB 2.380 34.991 32.600 0.019 0.000 1.726 38 M HN 0.512 nan 8.290 nan 0.000 0.463 39 S N 1.004 116.571 115.700 -0.222 0.000 2.568 39 S HA 0.087 4.560 4.470 0.004 0.000 0.282 39 S C 0.391 174.661 174.600 -0.549 0.000 1.338 39 S CA -0.465 57.528 58.200 -0.346 0.000 1.045 39 S CB 0.320 63.291 63.200 -0.381 0.000 0.873 39 S HN 0.711 nan 8.310 nan 0.000 0.516 40 S N 1.364 116.627 115.700 -0.729 0.000 3.983 40 S HA 0.164 4.636 4.470 0.004 0.000 0.194 40 S C -0.473 173.789 174.600 -0.564 0.000 1.464 40 S CA -0.863 56.597 58.200 -1.233 0.000 1.021 40 S CB -0.547 61.931 63.200 -1.203 0.000 1.424 40 S HN 0.538 nan 8.310 nan 0.000 0.473 41 D N 2.382 122.585 120.400 -0.327 0.000 2.488 41 D HA 0.350 4.992 4.640 0.004 0.000 0.238 41 D C -0.317 175.966 176.300 -0.028 0.000 1.138 41 D CA 1.102 55.042 54.000 -0.099 0.000 0.873 41 D CB 0.549 41.327 40.800 -0.037 0.000 1.183 41 D HN 0.495 nan 8.370 nan 0.000 0.458 42 D N 1.115 121.503 120.400 -0.022 0.000 2.871 42 D HA 0.070 4.712 4.640 0.004 0.000 0.209 42 D C -1.107 175.116 176.300 -0.127 0.000 1.292 42 D CA -0.544 53.402 54.000 -0.090 0.000 0.869 42 D CB 0.398 41.226 40.800 0.046 0.000 1.663 42 D HN 0.134 nan 8.370 nan 0.000 0.557 43 Y N 1.449 121.634 120.300 -0.192 0.000 2.721 43 Y HA 0.130 4.682 4.550 0.004 0.000 0.329 43 Y C 1.342 177.018 175.900 -0.373 0.000 1.211 43 Y CA 0.471 58.230 58.100 -0.567 0.000 1.512 43 Y CB 0.309 38.409 38.460 -0.600 0.000 1.249 43 Y HN 0.069 nan 8.280 nan 0.000 0.549 44 E N 2.434 122.572 120.200 -0.103 0.000 2.222 44 E HA 0.456 4.809 4.350 0.004 0.000 0.272 44 E C -1.441 174.973 176.600 -0.310 0.000 0.982 44 E CA -0.834 55.529 56.400 -0.061 0.000 0.842 44 E CB 1.216 30.966 29.700 0.083 0.000 1.144 44 E HN 0.497 nan 8.360 nan 0.000 0.397 45 Y N 0.475 120.814 120.300 0.065 0.000 2.477 45 Y HA 0.244 4.796 4.550 0.004 0.000 0.347 45 Y C 0.359 176.268 175.900 0.014 0.000 0.981 45 Y CA -1.152 56.962 58.100 0.023 0.000 1.033 45 Y CB 1.434 39.904 38.460 0.016 0.000 1.245 45 Y HN 0.401 nan 8.280 nan 0.000 0.455 46 N N 0.180 118.974 118.700 0.156 0.000 2.371 46 N HA -0.018 4.724 4.740 0.004 0.000 0.243 46 N C 1.131 176.695 175.510 0.091 0.000 1.287 46 N CA 0.700 53.804 53.050 0.090 0.000 0.911 46 N CB 0.959 39.478 38.487 0.053 0.000 1.142 46 N HN 0.809 nan 8.380 nan 0.000 0.451 47 S N 0.335 116.068 115.700 0.054 0.000 2.419 47 S HA -0.199 4.273 4.470 0.004 0.000 0.235 47 S C 1.046 175.659 174.600 0.023 0.000 1.019 47 S CA 1.149 59.371 58.200 0.036 0.000 0.982 47 S CB -0.374 62.841 63.200 0.025 0.000 0.789 47 S HN 0.727 nan 8.310 nan 0.000 0.490 48 N N 1.247 119.962 118.700 0.026 0.000 2.383 48 N HA 0.228 4.971 4.740 0.004 0.000 0.192 48 N C 1.190 176.705 175.510 0.010 0.000 1.141 48 N CA 0.641 53.699 53.050 0.013 0.000 0.851 48 N CB -0.499 37.995 38.487 0.013 0.000 0.976 48 N HN 0.645 nan 8.380 nan 0.000 0.465 49 G N -0.553 108.261 108.800 0.023 0.000 2.176 49 G HA2 -0.293 3.669 3.960 0.004 0.000 0.253 49 G HA3 -0.293 3.669 3.960 0.004 0.000 0.253 49 G C 0.160 175.128 174.900 0.113 0.000 0.979 49 G CA 0.550 45.646 45.100 -0.007 0.000 0.641 49 G HN 0.809 nan 8.290 nan 0.000 0.530 50 T N -1.118 113.507 114.554 0.118 0.000 2.904 50 T HA 0.670 5.023 4.350 0.004 0.000 0.290 50 T C 0.559 175.325 174.700 0.109 0.000 1.018 50 T CA -0.344 61.813 62.100 0.096 0.000 1.075 50 T CB 2.448 71.332 68.868 0.026 0.000 0.986 50 T HN 0.876 nan 8.240 nan 0.000 0.523 51 I N 2.119 122.650 120.570 -0.064 0.000 2.575 51 I HA 0.346 4.518 4.170 0.004 0.000 0.285 51 I C 0.386 176.382 176.117 -0.201 0.000 1.085 51 I CA -0.131 60.986 61.300 -0.304 0.000 1.403 51 I CB 0.393 37.934 38.000 -0.766 0.000 1.409 51 I HN 0.878 nan 8.210 nan 0.000 0.557 52 K N 4.717 125.031 120.400 -0.144 0.000 2.313 52 K HA 0.545 4.868 4.320 0.004 0.000 0.235 52 K C -1.021 175.570 176.600 -0.016 0.000 1.035 52 K CA -1.014 55.232 56.287 -0.068 0.000 0.868 52 K CB 0.655 33.133 32.500 -0.038 0.000 1.232 52 K HN 0.294 nan 8.250 nan 0.000 0.459 53 D N 1.276 121.630 120.400 -0.076 0.000 2.399 53 D HA -0.007 4.636 4.640 0.004 0.000 0.241 53 D C -0.218 175.904 176.300 -0.297 0.000 1.133 53 D CA 0.047 53.941 54.000 -0.178 0.000 0.890 53 D CB 0.392 41.080 40.800 -0.186 0.000 1.201 53 D HN 0.438 nan 8.370 nan 0.000 0.432 54 N N 0.238 118.524 118.700 -0.689 0.000 2.411 54 N HA -0.090 4.653 4.740 0.004 0.000 0.265 54 N C 0.447 175.654 175.510 -0.505 0.000 1.266 54 N CA 0.256 52.898 53.050 -0.680 0.000 0.889 54 N CB 0.377 38.327 38.487 -0.896 0.000 1.069 54 N HN 0.250 nan 8.380 nan 0.000 0.476 55 S N 3.110 118.607 115.700 -0.338 0.000 2.539 55 S HA 0.161 4.634 4.470 0.004 0.000 0.221 55 S C 0.158 174.550 174.600 -0.345 0.000 0.987 55 S CA -0.382 57.579 58.200 -0.398 0.000 0.929 55 S CB -0.183 62.907 63.200 -0.184 0.000 0.832 55 S HN 0.485 nan 8.310 nan 0.000 0.492 56 F N -0.172 119.677 119.950 -0.168 0.000 2.840 56 F HA -0.289 4.241 4.527 0.004 0.000 0.310 56 F C 1.735 177.514 175.800 -0.035 0.000 0.688 56 F CA -0.293 57.591 58.000 -0.193 0.000 1.286 56 F CB -2.173 36.620 39.000 -0.344 0.000 1.612 56 F HN 0.388 nan 8.300 nan 0.000 0.335 57 A N 0.696 123.599 122.820 0.138 0.000 1.940 57 A HA -0.218 4.104 4.320 0.004 0.000 0.219 57 A C 1.788 179.436 177.584 0.106 0.000 1.176 57 A CA 2.134 54.241 52.037 0.117 0.000 0.631 57 A CB -0.797 18.247 19.000 0.073 0.000 0.814 57 A HN 0.712 nan 8.150 nan 0.000 0.446 58 N N -0.696 118.053 118.700 0.082 0.000 2.322 58 N HA 0.205 4.948 4.740 0.004 0.000 0.194 58 N C 0.050 175.552 175.510 -0.014 0.000 1.126 58 N CA -0.079 52.994 53.050 0.039 0.000 0.845 58 N CB -0.164 38.348 38.487 0.042 0.000 0.976 58 N HN 0.367 nan 8.380 nan 0.000 0.475 59 L N 1.510 122.745 121.223 0.020 0.000 2.437 59 L HA 0.218 4.560 4.340 0.004 0.000 0.243 59 L C 0.094 176.982 176.870 0.030 0.000 1.346 59 L CA -0.353 54.467 54.840 -0.034 0.000 1.233 59 L CB -0.680 41.308 42.059 -0.119 0.000 1.436 59 L HN 0.433 nan 8.230 nan 0.000 0.416 60 N N -0.244 118.409 118.700 -0.079 0.000 2.143 60 N HA 0.111 4.853 4.740 0.004 0.000 0.222 60 N C 0.207 175.599 175.510 -0.197 0.000 1.264 60 N CA -0.434 52.545 53.050 -0.119 0.000 0.897 60 N CB 0.675 39.112 38.487 -0.083 0.000 1.092 60 N HN 0.246 nan 8.380 nan 0.000 0.516 61 R N -0.620 119.741 120.500 -0.232 0.000 2.912 61 R HA 0.724 5.067 4.340 0.004 0.000 0.262 61 R C -1.321 174.785 176.300 -0.325 0.000 1.057 61 R CA -0.994 54.957 56.100 -0.249 0.000 0.981 61 R CB 2.345 32.554 30.300 -0.152 0.000 1.201 61 R HN -0.148 nan 8.270 nan 0.000 0.484 62 V N 2.483 122.250 119.914 -0.245 0.000 2.409 62 V HA 0.413 4.536 4.120 0.004 0.000 0.291 62 V C -0.930 175.171 176.094 0.012 0.000 1.020 62 V CA -0.662 61.524 62.300 -0.190 0.000 0.848 62 V CB 1.141 32.867 31.823 -0.162 0.000 0.990 62 V HN 0.453 nan 8.190 nan 0.000 0.430 63 F N 4.071 123.975 119.950 -0.076 0.000 2.399 63 F HA 0.592 5.121 4.527 0.004 0.000 0.342 63 F C 0.311 176.072 175.800 -0.064 0.000 1.106 63 F CA -0.975 56.981 58.000 -0.073 0.000 1.196 63 F CB 1.387 40.346 39.000 -0.068 0.000 1.163 63 F HN 0.131 nan 8.300 nan 0.000 0.547 64 V N 5.004 124.994 119.914 0.126 0.000 2.577 64 V HA 0.561 4.683 4.120 0.004 0.000 0.303 64 V C -0.183 175.945 176.094 0.057 0.000 1.042 64 V CA -0.800 61.476 62.300 -0.039 0.000 0.872 64 V CB 1.879 33.647 31.823 -0.092 0.000 0.998 64 V HN 0.625 nan 8.190 nan 0.000 0.423 65 I N 2.038 122.611 120.570 0.005 0.000 2.934 65 I HA 1.035 5.207 4.170 0.004 0.000 0.306 65 I C -0.293 175.925 176.117 0.168 0.000 1.110 65 I CA -0.544 60.789 61.300 0.056 0.000 1.019 65 I CB 2.662 40.617 38.000 -0.076 0.000 1.227 65 I HN 0.664 nan 8.210 nan 0.000 0.434 66 S N 2.353 118.150 115.700 0.162 0.000 2.579 66 S HA 0.795 5.268 4.470 0.004 0.000 0.272 66 S C -0.909 173.522 174.600 -0.283 0.000 1.141 66 S CA -0.630 57.533 58.200 -0.062 0.000 0.843 66 S CB 1.761 64.692 63.200 -0.449 0.000 1.122 66 S HN 0.988 nan 8.310 nan 0.000 0.468 67 S N -0.433 114.866 115.700 -0.669 0.000 2.541 67 S HA 0.713 5.186 4.470 0.004 0.000 0.271 67 S C 0.223 174.463 174.600 -0.600 0.000 1.133 67 S CA -0.107 57.536 58.200 -0.929 0.000 0.876 67 S CB 1.424 63.441 63.200 -1.971 0.000 1.105 67 S HN 1.607 nan 8.310 nan 0.000 0.470 68 A N 2.078 124.681 122.820 -0.362 0.000 2.267 68 A HA 0.269 4.592 4.320 0.004 0.000 0.213 68 A C 0.737 178.332 177.584 0.018 0.000 1.192 68 A CA 1.026 53.029 52.037 -0.057 0.000 0.851 68 A CB -0.310 18.652 19.000 -0.064 0.000 0.881 68 A HN 0.874 nan 8.150 nan 0.000 0.494 69 D N -4.688 115.593 120.400 -0.198 0.000 2.497 69 D HA 0.129 4.772 4.640 0.004 0.000 0.256 69 D C 0.661 176.850 176.300 -0.186 0.000 1.273 69 D CA 0.290 54.212 54.000 -0.129 0.000 0.812 69 D CB 0.127 40.838 40.800 -0.147 0.000 1.190 69 D HN -0.030 nan 8.370 nan 0.000 0.524 70 M N -0.698 118.652 119.600 -0.416 0.000 2.979 70 M HA -0.183 4.299 4.480 0.004 0.000 0.202 70 M C 0.442 176.611 176.300 -0.219 0.000 0.602 70 M CA 0.754 55.874 55.300 -0.300 0.000 0.774 70 M CB -1.907 30.653 32.600 -0.067 0.000 2.769 70 M HN 0.229 nan 8.290 nan 0.000 0.294 71 V N -1.092 118.577 119.914 -0.408 0.000 3.058 71 V HA 0.207 4.330 4.120 0.004 0.000 0.233 71 V C 0.907 176.692 176.094 -0.515 0.000 1.255 71 V CA 0.535 62.658 62.300 -0.295 0.000 1.267 71 V CB 0.350 32.064 31.823 -0.181 0.000 1.049 71 V HN 0.367 nan 8.190 nan 0.000 0.486 72 N N 0.656 118.998 118.700 -0.596 0.000 2.422 72 N HA 0.203 4.945 4.740 0.004 0.000 0.264 72 N C -1.491 173.544 175.510 -0.792 0.000 1.063 72 N CA 0.030 52.759 53.050 -0.534 0.000 0.959 72 N CB 0.812 39.095 38.487 -0.340 0.000 1.087 72 N HN 0.347 nan 8.380 nan 0.000 0.483 73 W N 0.777 121.830 121.300 -0.410 0.000 2.475 73 W HA 0.262 4.926 4.660 0.007 0.000 0.317 73 W C 0.215 176.425 176.519 -0.515 0.000 1.046 73 W CA -0.623 56.462 57.345 -0.433 0.000 1.215 73 W CB 1.086 30.294 29.460 -0.420 0.000 1.335 73 W HN 0.165 nan 8.180 nan 0.000 0.471 74 T N 2.871 117.250 114.554 -0.291 0.000 2.761 74 T HA 0.014 4.367 4.350 0.004 0.000 0.296 74 T C -0.427 173.971 174.700 -0.503 0.000 0.934 74 T CA -0.275 61.562 62.100 -0.437 0.000 1.091 74 T CB 0.446 68.997 68.868 -0.528 0.000 0.896 74 T HN 0.225 nan 8.240 nan 0.000 0.515 75 D N 1.693 121.855 120.400 -0.396 0.000 2.316 75 D HA 0.052 4.695 4.640 0.004 0.000 0.245 75 D C 0.494 176.633 176.300 -0.269 0.000 1.171 75 D CA -0.288 53.573 54.000 -0.231 0.000 0.856 75 D CB 0.564 41.360 40.800 -0.006 0.000 1.090 75 D HN 0.580 nan 8.370 nan 0.000 0.476 76 H N 2.810 121.864 119.070 -0.026 0.000 2.520 76 H HA 0.220 4.778 4.556 0.004 0.000 0.284 76 H C 1.467 176.781 175.328 -0.023 0.000 1.037 76 H CA 0.415 56.451 56.048 -0.020 0.000 1.168 76 H CB 0.743 30.508 29.762 0.005 0.000 1.497 76 H HN 0.714 nan 8.280 nan 0.000 0.547 77 G N 1.231 110.043 108.800 0.021 0.000 2.527 77 G HA2 -0.168 3.795 3.960 0.004 0.000 0.268 77 G HA3 -0.168 3.795 3.960 0.004 0.000 0.268 77 G C -0.392 174.508 174.900 0.000 0.000 1.175 77 G CA -0.034 45.033 45.100 -0.055 0.000 0.962 77 G HN 0.654 nan 8.290 nan 0.000 0.560 78 A N -0.793 122.054 122.820 0.046 0.000 2.393 78 A HA 0.775 5.097 4.320 0.004 0.000 0.306 78 A C -0.294 177.338 177.584 0.080 0.000 1.050 78 A CA -0.383 51.747 52.037 0.154 0.000 0.724 78 A CB 1.127 20.257 19.000 0.216 0.000 1.248 78 A HN 1.192 nan 8.150 nan 0.000 0.424 79 I N 3.554 124.144 120.570 0.032 0.000 2.325 79 I HA 0.305 4.478 4.170 0.004 0.000 0.291 79 I C -1.895 174.156 176.117 -0.111 0.000 1.019 79 I CA -1.919 59.350 61.300 -0.051 0.000 1.302 79 I CB 1.854 39.716 38.000 -0.231 0.000 1.401 79 I HN 0.405 nan 8.210 nan 0.000 0.485 80 P HA 0.086 nan 4.420 nan 0.000 0.237 80 P C 0.895 178.078 177.300 -0.196 0.000 1.788 80 P CA -0.031 63.001 63.100 -0.112 0.000 1.061 80 P CB 0.485 32.149 31.700 -0.059 0.000 1.967 81 V N 2.074 121.800 119.914 -0.313 0.000 2.237 81 V HA -0.155 3.967 4.120 0.004 0.000 0.245 81 V C 1.550 177.348 176.094 -0.493 0.000 1.046 81 V CA 2.036 64.036 62.300 -0.501 0.000 1.007 81 V CB -1.127 30.207 31.823 -0.816 0.000 0.638 81 V HN 0.421 nan 8.190 nan 0.000 0.445 82 A N 0.261 122.822 122.820 -0.433 0.000 2.454 82 A HA 0.512 4.835 4.320 0.004 0.000 0.260 82 A C 1.135 178.565 177.584 -0.256 0.000 1.106 82 A CA 0.452 52.264 52.037 -0.375 0.000 0.780 82 A CB 0.394 19.224 19.000 -0.284 0.000 1.044 82 A HN 0.516 nan 8.150 nan 0.000 0.498 83 G N 1.166 109.812 108.800 -0.257 0.000 3.228 83 G HA2 0.458 4.421 3.960 0.004 0.000 0.245 83 G HA3 0.458 4.421 3.960 0.004 0.000 0.245 83 G C 0.589 175.421 174.900 -0.113 0.000 1.051 83 G CA 0.793 45.799 45.100 -0.156 0.000 0.809 83 G HN 1.134 nan 8.290 nan 0.000 0.531 84 A N 0.377 123.119 122.820 -0.131 0.000 2.272 84 A HA 0.614 4.936 4.320 0.004 0.000 0.275 84 A C 1.042 178.599 177.584 -0.045 0.000 1.096 84 A CA 0.083 52.079 52.037 -0.068 0.000 0.822 84 A CB 0.494 19.458 19.000 -0.060 0.000 1.088 84 A HN 0.277 nan 8.150 nan 0.000 0.495 85 N N -0.693 117.997 118.700 -0.018 0.000 1.188 85 N HA -0.268 4.475 4.740 0.004 0.000 0.128 85 N C 1.237 176.741 175.510 -0.010 0.000 0.759 85 N CA 2.001 55.047 53.050 -0.008 0.000 0.905 85 N CB -1.493 36.990 38.487 -0.005 0.000 1.156 85 N HN 1.095 nan 8.380 nan 0.000 0.553 86 G N 0.417 109.213 108.800 -0.007 0.000 2.464 86 G HA2 0.278 4.241 3.960 0.004 0.000 0.217 86 G HA3 0.278 4.241 3.960 0.004 0.000 0.217 86 G C 0.559 175.449 174.900 -0.018 0.000 1.138 86 G CA 1.165 46.261 45.100 -0.007 0.000 0.793 86 G HN 0.973 nan 8.290 nan 0.000 0.539 87 A N 0.763 123.564 122.820 -0.032 0.000 2.598 87 A HA 0.223 4.545 4.320 0.004 0.000 0.239 87 A C 1.087 178.641 177.584 -0.049 0.000 1.032 87 A CA 0.627 52.636 52.037 -0.047 0.000 0.760 87 A CB -0.211 18.742 19.000 -0.078 0.000 0.946 87 A HN 0.555 nan 8.150 nan 0.000 0.512 88 N N 0.572 119.248 118.700 -0.040 0.000 2.747 88 N HA -0.202 4.541 4.740 0.004 0.000 0.249 88 N C 0.784 176.280 175.510 -0.022 0.000 1.107 88 N CA 1.968 54.996 53.050 -0.035 0.000 0.707 88 N CB -1.569 36.883 38.487 -0.058 0.000 1.054 88 N HN 2.173 nan 8.380 nan 0.000 0.555 89 G N -0.675 108.117 108.800 -0.014 0.000 2.356 89 G HA2 -0.011 3.951 3.960 0.004 0.000 0.296 89 G HA3 -0.011 3.951 3.960 0.004 0.000 0.296 89 G C 1.239 176.134 174.900 -0.007 0.000 1.022 89 G CA 1.430 46.526 45.100 -0.006 0.000 0.961 89 G HN 1.606 nan 8.290 nan 0.000 0.510 90 G N -1.162 107.630 108.800 -0.013 0.000 2.205 90 G HA2 -0.356 3.606 3.960 0.004 0.000 0.261 90 G HA3 -0.356 3.606 3.960 0.004 0.000 0.261 90 G C 1.053 175.945 174.900 -0.013 0.000 0.980 90 G CA 1.141 46.235 45.100 -0.011 0.000 0.632 90 G HN 0.966 nan 8.290 nan 0.000 0.533 91 R N 0.868 121.358 120.500 -0.017 0.000 2.317 91 R HA 0.309 4.652 4.340 0.004 0.000 0.208 91 R C 1.746 178.027 176.300 -0.031 0.000 0.914 91 R CA 0.299 56.389 56.100 -0.017 0.000 1.060 91 R CB 0.204 30.497 30.300 -0.011 0.000 1.015 91 R HN 0.404 nan 8.270 nan 0.000 0.498 92 G N 0.544 109.313 108.800 -0.052 0.000 2.414 92 G HA2 0.032 3.994 3.960 0.004 0.000 0.236 92 G HA3 0.032 3.994 3.960 0.004 0.000 0.236 92 G C 0.714 175.565 174.900 -0.082 0.000 1.293 92 G CA -0.315 44.730 45.100 -0.092 0.000 0.869 92 G HN 0.085 nan 8.290 nan 0.000 0.556 93 I N 1.662 122.167 120.570 -0.109 0.000 2.494 93 I HA 0.081 4.253 4.170 0.004 0.000 0.250 93 I C 2.044 178.131 176.117 -0.050 0.000 1.112 93 I CA 0.725 61.994 61.300 -0.053 0.000 1.438 93 I CB 0.070 38.055 38.000 -0.024 0.000 1.111 93 I HN 0.458 nan 8.210 nan 0.000 0.431 94 A N 1.464 124.180 122.820 -0.173 0.000 2.621 94 A HA 0.234 4.556 4.320 0.004 0.000 0.329 94 A C 0.919 178.262 177.584 -0.401 0.000 1.458 94 A CA -0.427 51.450 52.037 -0.266 0.000 1.052 94 A CB -0.007 18.718 19.000 -0.458 0.000 1.142 94 A HN 0.032 nan 8.150 nan 0.000 0.523 95 K N 1.958 122.288 120.400 -0.117 0.000 2.362 95 K HA -0.099 4.224 4.320 0.004 0.000 0.200 95 K C 1.395 177.985 176.600 -0.016 0.000 1.046 95 K CA 1.052 57.312 56.287 -0.044 0.000 0.952 95 K CB -0.063 32.474 32.500 0.061 0.000 0.753 95 K HN 1.038 nan 8.250 nan 0.000 0.466 96 W N 0.375 121.699 121.300 0.040 0.000 3.003 96 W HA 0.366 5.029 4.660 0.004 0.000 0.257 96 W C 0.061 176.603 176.519 0.039 0.000 1.308 96 W CA -0.397 56.969 57.345 0.035 0.000 1.529 96 W CB -0.195 29.287 29.460 0.038 0.000 1.115 96 W HN -0.199 nan 8.180 nan 0.000 0.659 97 A N 1.585 123.980 122.820 -0.708 0.000 2.276 97 A HA 0.604 4.926 4.320 0.004 0.000 0.316 97 A C 1.123 178.507 177.584 -0.334 0.000 1.229 97 A CA 0.088 51.722 52.037 -0.671 0.000 0.851 97 A CB 1.004 19.325 19.000 -1.130 0.000 1.165 97 A HN 0.225 nan 8.150 nan 0.000 0.513 98 G N 1.070 109.760 108.800 -0.183 0.000 2.777 98 G HA2 0.438 4.401 3.960 0.004 0.000 0.211 98 G HA3 0.438 4.401 3.960 0.004 0.000 0.211 98 G C 0.514 175.339 174.900 -0.125 0.000 1.149 98 G CA 1.004 46.029 45.100 -0.125 0.000 0.785 98 G HN 1.381 nan 8.290 nan 0.000 0.536 99 A N -0.297 122.419 122.820 -0.174 0.000 2.556 99 A HA 0.721 5.043 4.320 0.004 0.000 0.294 99 A C -0.439 177.052 177.584 -0.155 0.000 1.091 99 A CA -0.088 51.869 52.037 -0.134 0.000 0.704 99 A CB 1.399 20.255 19.000 -0.240 0.000 1.300 99 A HN 0.762 nan 8.150 nan 0.000 0.406 100 S N 0.294 115.961 115.700 -0.054 0.000 2.312 100 S HA 0.496 4.968 4.470 0.004 0.000 0.173 100 S C -1.439 173.262 174.600 0.168 0.000 1.488 100 S CA -0.430 57.734 58.200 -0.060 0.000 1.239 100 S CB -0.216 62.669 63.200 -0.525 0.000 1.215 100 S HN 0.576 nan 8.310 nan 0.000 0.438 101 W N 1.640 122.931 121.300 -0.016 0.000 2.381 101 W HA 0.674 5.337 4.660 0.004 0.000 0.329 101 W C 0.810 177.282 176.519 -0.077 0.000 1.157 101 W CA -0.588 56.685 57.345 -0.121 0.000 1.240 101 W CB 0.510 29.886 29.460 -0.140 0.000 1.199 101 W HN 1.259 nan 8.180 nan 0.000 0.579 102 A N 3.084 125.920 122.820 0.026 0.000 2.360 102 A HA -0.150 4.172 4.320 0.004 0.000 0.289 102 A C -2.136 175.509 177.584 0.102 0.000 1.437 102 A CA -0.295 51.713 52.037 -0.048 0.000 0.734 102 A CB -2.014 16.942 19.000 -0.074 0.000 1.145 102 A HN 0.276 nan 8.150 nan 0.000 0.374 103 P HA 0.345 nan 4.420 nan 0.000 0.269 103 P C 0.233 177.634 177.300 0.168 0.000 1.215 103 P CA 0.376 63.563 63.100 0.145 0.000 0.780 103 P CB 1.338 33.089 31.700 0.085 0.000 0.898 104 S N 0.954 116.780 115.700 0.209 0.000 2.634 104 S HA 0.765 5.237 4.470 0.004 0.000 0.296 104 S C -1.148 173.578 174.600 0.211 0.000 1.104 104 S CA -0.670 57.658 58.200 0.212 0.000 0.920 104 S CB 0.720 64.051 63.200 0.217 0.000 1.111 104 S HN 0.373 nan 8.310 nan 0.000 0.493 105 I N 1.878 122.551 120.570 0.171 0.000 2.722 105 I HA 0.848 5.021 4.170 0.004 0.000 0.295 105 I C -1.039 175.229 176.117 0.252 0.000 1.161 105 I CA -0.151 61.191 61.300 0.071 0.000 1.032 105 I CB 1.680 39.445 38.000 -0.391 0.000 1.244 105 I HN 0.856 nan 8.210 nan 0.000 0.421 106 A N 5.551 128.579 122.820 0.346 0.000 2.572 106 A HA 0.835 5.157 4.320 0.004 0.000 0.295 106 A C -1.941 175.816 177.584 0.289 0.000 1.072 106 A CA -0.611 51.627 52.037 0.334 0.000 0.691 106 A CB 1.812 21.033 19.000 0.368 0.000 1.291 106 A HN 0.898 nan 8.150 nan 0.000 0.404 107 V N 1.027 121.023 119.914 0.137 0.000 2.628 107 V HA 0.854 4.977 4.120 0.004 0.000 0.306 107 V C -0.567 175.517 176.094 -0.016 0.000 1.045 107 V CA -0.520 61.695 62.300 -0.142 0.000 0.905 107 V CB 1.683 33.242 31.823 -0.440 0.000 0.997 107 V HN 1.031 nan 8.190 nan 0.000 0.436 108 K N 4.629 125.016 120.400 -0.022 0.000 2.525 108 K HA 0.456 4.778 4.320 0.004 0.000 0.254 108 K C -1.159 175.434 176.600 -0.012 0.000 0.934 108 K CA -0.777 55.530 56.287 0.035 0.000 0.802 108 K CB 1.871 34.430 32.500 0.098 0.000 1.295 108 K HN 0.689 nan 8.250 nan 0.000 0.433 109 K N 5.190 125.585 120.400 -0.008 0.000 2.316 109 K HA 0.276 4.599 4.320 0.004 0.000 0.289 109 K C -0.931 175.676 176.600 0.012 0.000 1.070 109 K CA -0.212 56.071 56.287 -0.008 0.000 0.928 109 K CB 0.359 32.865 32.500 0.010 0.000 1.039 109 K HN 0.485 nan 8.250 nan 0.000 0.480 110 I N 4.381 124.960 120.570 0.015 0.000 2.436 110 I HA 0.150 4.322 4.170 0.004 0.000 0.289 110 I C -0.359 175.767 176.117 0.016 0.000 1.010 110 I CA -0.959 60.358 61.300 0.028 0.000 1.098 110 I CB 1.712 39.751 38.000 0.066 0.000 1.266 110 I HN 0.754 nan 8.210 nan 0.000 0.434 111 N N 4.793 123.501 118.700 0.013 0.000 2.738 111 N HA -0.187 4.556 4.740 0.004 0.000 0.249 111 N C 0.946 176.461 175.510 0.008 0.000 1.047 111 N CA 1.232 54.288 53.050 0.009 0.000 0.707 111 N CB -1.058 37.434 38.487 0.009 0.000 0.937 111 N HN 1.201 nan 8.380 nan 0.000 0.545 112 G N -0.890 107.915 108.800 0.009 0.000 2.180 112 G HA2 -0.377 3.585 3.960 0.004 0.000 0.263 112 G HA3 -0.377 3.585 3.960 0.004 0.000 0.263 112 G C 0.032 174.940 174.900 0.013 0.000 0.989 112 G CA 1.245 46.351 45.100 0.011 0.000 0.692 112 G HN 0.745 nan 8.290 nan 0.000 0.526 113 K N 0.390 120.794 120.400 0.006 0.000 2.378 113 K HA 0.435 4.758 4.320 0.004 0.000 0.252 113 K C -0.987 175.597 176.600 -0.026 0.000 0.931 113 K CA -0.980 55.309 56.287 0.003 0.000 0.794 113 K CB 1.037 33.535 32.500 -0.003 0.000 1.181 113 K HN -0.039 nan 8.250 nan 0.000 0.425 114 D N 3.391 123.774 120.400 -0.029 0.000 2.450 114 D HA 0.036 4.679 4.640 0.004 0.000 0.247 114 D C -0.528 175.569 176.300 -0.338 0.000 1.162 114 D CA 0.648 54.540 54.000 -0.180 0.000 0.879 114 D CB 0.998 41.733 40.800 -0.107 0.000 1.163 114 D HN 0.320 nan 8.370 nan 0.000 0.472 115 K N 2.234 122.348 120.400 -0.477 0.000 2.316 115 K HA 0.480 4.802 4.320 0.004 0.000 0.251 115 K C -1.289 174.741 176.600 -0.951 0.000 0.934 115 K CA -0.654 55.308 56.287 -0.541 0.000 0.802 115 K CB 1.059 33.373 32.500 -0.310 0.000 1.171 115 K HN 0.142 nan 8.250 nan 0.000 0.426 116 F N 2.830 122.339 119.950 -0.736 0.000 2.522 116 F HA 0.529 5.058 4.527 0.003 0.000 0.324 116 F C -0.710 174.662 175.800 -0.713 0.000 1.077 116 F CA -0.762 56.919 58.000 -0.532 0.000 0.944 116 F CB 1.307 40.081 39.000 -0.377 0.000 1.175 116 F HN 0.299 nan 8.300 nan 0.000 0.468 117 F N 3.280 123.372 119.950 0.237 0.000 2.579 117 F HA 0.469 4.998 4.527 0.004 0.000 0.325 117 F C -0.924 174.827 175.800 -0.082 0.000 1.162 117 F CA -0.781 57.246 58.000 0.045 0.000 0.946 117 F CB 1.696 40.680 39.000 -0.028 0.000 1.211 117 F HN 0.178 nan 8.300 nan 0.000 0.447 118 L N 5.147 126.316 121.223 -0.090 0.000 2.280 118 L HA 0.581 4.923 4.340 0.004 0.000 0.287 118 L C -1.493 175.242 176.870 -0.224 0.000 1.023 118 L CA -0.518 54.172 54.840 -0.249 0.000 0.819 118 L CB 0.255 41.918 42.059 -0.660 0.000 1.212 118 L HN 0.457 nan 8.230 nan 0.000 0.420 119 Y N 5.380 125.746 120.300 0.111 0.000 2.457 119 Y HA 0.730 5.283 4.550 0.004 0.000 0.333 119 Y C -0.236 175.774 175.900 0.184 0.000 1.119 119 Y CA -0.443 57.714 58.100 0.095 0.000 1.143 119 Y CB 1.543 40.038 38.460 0.058 0.000 1.230 119 Y HN 0.573 nan 8.280 nan 0.000 0.469 120 F N -0.998 119.072 119.950 0.199 0.000 2.713 120 F HA 0.895 5.424 4.527 0.004 0.000 0.311 120 F C -1.441 174.446 175.800 0.144 0.000 1.141 120 F CA -1.933 56.137 58.000 0.117 0.000 0.939 120 F CB 0.897 39.902 39.000 0.008 0.000 1.325 120 F HN 0.493 nan 8.300 nan 0.000 0.453 121 A N 1.574 124.563 122.820 0.283 0.000 2.288 121 A HA 0.528 4.851 4.320 0.004 0.000 0.320 121 A C -0.830 176.798 177.584 0.073 0.000 1.217 121 A CA -0.720 51.410 52.037 0.155 0.000 0.840 121 A CB 0.563 19.695 19.000 0.221 0.000 1.179 121 A HN 0.748 nan 8.150 nan 0.000 0.504 122 N N 2.433 121.155 118.700 0.038 0.000 2.895 122 N HA 0.259 5.002 4.740 0.004 0.000 0.277 122 N C 0.533 175.819 175.510 -0.373 0.000 1.185 122 N CA 1.097 54.100 53.050 -0.079 0.000 1.106 122 N CB -0.830 37.742 38.487 0.143 0.000 1.422 122 N HN 0.690 nan 8.380 nan 0.000 0.521 123 S N 1.127 116.241 115.700 -0.977 0.000 3.927 123 S HA -0.252 4.220 4.470 0.004 0.000 0.618 123 S C 1.272 175.466 174.600 -0.678 0.000 2.201 123 S CA 1.196 58.438 58.200 -1.598 0.000 4.160 123 S CB -1.312 61.286 63.200 -1.002 0.000 0.266 123 S HN 0.652 nan 8.310 nan 0.000 0.760 124 G N 0.690 109.237 108.800 -0.422 0.000 3.042 124 G HA2 0.452 4.414 3.960 0.004 0.000 0.212 124 G HA3 0.452 4.414 3.960 0.004 0.000 0.212 124 G C 0.354 175.201 174.900 -0.089 0.000 1.166 124 G CA 0.616 45.597 45.100 -0.198 0.000 0.767 124 G HN 1.173 nan 8.290 nan 0.000 0.546 125 G N -0.196 108.557 108.800 -0.078 0.000 4.782 125 G HA2 0.597 4.559 3.960 0.004 0.000 0.327 125 G HA3 0.597 4.559 3.960 0.004 0.000 0.327 125 G C 0.021 174.931 174.900 0.017 0.000 1.466 125 G CA 0.088 45.177 45.100 -0.018 0.000 1.017 125 G HN 0.978 nan 8.290 nan 0.000 0.543 126 G N 0.663 109.482 108.800 0.031 0.000 2.521 126 G HA2 0.229 4.191 3.960 0.004 0.000 0.589 126 G HA3 0.229 4.191 3.960 0.004 0.000 0.589 126 G C -1.109 173.826 174.900 0.058 0.000 1.501 126 G CA -1.074 44.049 45.100 0.038 0.000 0.887 126 G HN 0.328 nan 8.290 nan 0.000 0.654 127 I N 1.476 122.050 120.570 0.005 0.000 2.359 127 I HA 0.693 4.865 4.170 0.004 0.000 0.294 127 I C 1.152 177.191 176.117 -0.130 0.000 0.987 127 I CA -0.282 60.995 61.300 -0.039 0.000 1.225 127 I CB 0.942 38.952 38.000 0.015 0.000 1.366 127 I HN 0.815 nan 8.210 nan 0.000 0.466 128 G N 4.166 112.688 108.800 -0.462 0.000 2.537 128 G HA2 0.657 4.619 3.960 0.004 0.000 0.323 128 G HA3 0.657 4.619 3.960 0.004 0.000 0.323 128 G C -1.428 173.141 174.900 -0.552 0.000 1.207 128 G CA -0.566 44.235 45.100 -0.497 0.000 0.976 128 G HN 0.431 nan 8.290 nan 0.000 0.487 129 V N 0.209 120.052 119.914 -0.118 0.000 2.888 129 V HA 0.719 4.841 4.120 0.004 0.000 0.309 129 V C -1.049 175.151 176.094 0.177 0.000 1.114 129 V CA -0.786 61.456 62.300 -0.096 0.000 0.940 129 V CB 1.731 33.411 31.823 -0.238 0.000 1.021 129 V HN 0.643 nan 8.190 nan 0.000 0.426 130 L N 4.801 126.121 121.223 0.161 0.000 2.319 130 L HA 0.815 5.157 4.340 0.004 0.000 0.267 130 L C 0.012 177.059 176.870 0.296 0.000 1.011 130 L CA -0.595 54.391 54.840 0.242 0.000 0.818 130 L CB 2.500 44.678 42.059 0.198 0.000 1.316 130 L HN 0.813 nan 8.230 nan 0.000 0.432 131 T N -1.105 113.632 114.554 0.306 0.000 2.924 131 T HA 0.925 5.277 4.350 0.004 0.000 0.291 131 T C -0.589 174.082 174.700 -0.048 0.000 1.045 131 T CA -0.666 61.480 62.100 0.076 0.000 1.015 131 T CB 2.482 71.314 68.868 -0.061 0.000 1.103 131 T HN 0.875 nan 8.240 nan 0.000 0.496 132 A N 0.649 123.233 122.820 -0.393 0.000 2.599 132 A HA 0.665 4.988 4.320 0.004 0.000 0.290 132 A C -0.589 176.762 177.584 -0.388 0.000 1.101 132 A CA -0.745 50.912 52.037 -0.632 0.000 0.674 132 A CB 1.013 19.065 19.000 -1.580 0.000 1.277 132 A HN 0.718 nan 8.150 nan 0.000 0.419 133 D N 0.605 120.800 120.400 -0.343 0.000 2.363 133 D HA 0.221 4.863 4.640 0.004 0.000 0.214 133 D C 0.440 176.639 176.300 -0.168 0.000 1.093 133 D CA 1.338 55.251 54.000 -0.145 0.000 0.837 133 D CB 0.583 41.298 40.800 -0.140 0.000 0.948 133 D HN 0.660 nan 8.370 nan 0.000 0.507 134 S N -0.615 114.738 115.700 -0.579 0.000 2.579 134 S HA 0.428 4.900 4.470 0.004 0.000 0.272 134 S C -2.511 171.128 174.600 -1.601 0.000 1.141 134 S CA -1.084 56.532 58.200 -0.974 0.000 0.843 134 S CB 2.665 65.532 63.200 -0.554 0.000 1.122 134 S HN -0.327 nan 8.310 nan 0.000 0.468 135 P HA 0.094 nan 4.420 nan 0.000 0.230 135 P C 1.019 178.022 177.300 -0.495 0.000 1.158 135 P CA 0.733 63.038 63.100 -1.324 0.000 0.769 135 P CB -0.466 30.317 31.700 -1.528 0.000 0.807 136 I N -5.884 114.382 120.570 -0.507 0.000 3.936 136 I HA 0.573 4.745 4.170 0.004 0.000 0.330 136 I C 0.578 176.570 176.117 -0.208 0.000 1.509 136 I CA -0.395 60.797 61.300 -0.179 0.000 1.126 136 I CB 0.107 37.925 38.000 -0.302 0.000 1.115 136 I HN -0.043 nan 8.210 nan 0.000 0.424 137 G N 2.377 110.717 108.800 -0.767 0.000 2.627 137 G HA2 -0.149 3.813 3.960 0.004 0.000 0.214 137 G HA3 -0.149 3.813 3.960 0.004 0.000 0.214 137 G C -2.942 171.603 174.900 -0.593 0.000 1.331 137 G CA -0.514 43.936 45.100 -1.084 0.000 0.891 137 G HN 0.245 nan 8.290 nan 0.000 0.539 138 P HA 0.415 nan 4.420 nan 0.000 0.272 138 P C -0.756 176.245 177.300 -0.498 0.000 1.240 138 P CA 0.007 62.905 63.100 -0.338 0.000 0.791 138 P CB 0.399 32.012 31.700 -0.145 0.000 0.978 139 W N -0.377 120.882 121.300 -0.067 0.000 2.570 139 W HA 0.485 5.146 4.660 0.003 0.000 0.337 139 W C -0.009 176.488 176.519 -0.037 0.000 1.067 139 W CA -0.109 57.200 57.345 -0.060 0.000 1.229 139 W CB 1.350 30.777 29.460 -0.057 0.000 1.355 139 W HN 0.093 nan 8.180 nan 0.000 0.555 140 T N 1.543 116.227 114.554 0.216 0.000 2.876 140 T HA 0.123 4.476 4.350 0.004 0.000 0.289 140 T C -1.388 173.421 174.700 0.182 0.000 1.014 140 T CA -0.622 61.562 62.100 0.141 0.000 0.986 140 T CB 1.430 70.339 68.868 0.070 0.000 1.021 140 T HN 0.222 nan 8.240 nan 0.000 0.458 141 D N 3.597 124.099 120.400 0.170 0.000 2.411 141 D HA 0.264 4.906 4.640 0.004 0.000 0.225 141 D C -1.172 175.229 176.300 0.169 0.000 1.156 141 D CA -2.184 51.945 54.000 0.214 0.000 0.874 141 D CB 1.231 42.187 40.800 0.260 0.000 1.034 141 D HN 0.163 nan 8.370 nan 0.000 0.502 142 P HA 0.132 nan 4.420 nan 0.000 0.249 142 P C 1.028 178.377 177.300 0.082 0.000 1.229 142 P CA 0.264 63.427 63.100 0.106 0.000 0.788 142 P CB 0.742 32.507 31.700 0.108 0.000 1.072 143 I N -1.483 119.140 120.570 0.088 0.000 3.443 143 I HA 0.238 4.410 4.170 0.004 0.000 0.277 143 I C 1.617 177.735 176.117 0.002 0.000 1.169 143 I CA 0.830 62.142 61.300 0.020 0.000 1.419 143 I CB -0.371 37.608 38.000 -0.034 0.000 1.331 143 I HN -0.002 nan 8.210 nan 0.000 0.458 144 G N 2.387 111.230 108.800 0.071 0.000 2.176 144 G HA2 -0.246 3.717 3.960 0.004 0.000 0.253 144 G HA3 -0.246 3.717 3.960 0.004 0.000 0.253 144 G C 0.194 174.986 174.900 -0.181 0.000 0.979 144 G CA 0.594 45.761 45.100 0.113 0.000 0.641 144 G HN 0.524 nan 8.290 nan 0.000 0.530 145 K N -1.585 118.420 120.400 -0.658 0.000 2.571 145 K HA 0.662 4.984 4.320 0.004 0.000 0.289 145 K C -3.427 172.275 176.600 -1.496 0.000 1.028 145 K CA -2.186 53.377 56.287 -1.206 0.000 0.895 145 K CB 1.113 33.299 32.500 -0.523 0.000 1.534 145 K HN -0.065 nan 8.250 nan 0.000 0.421 146 P HA -0.052 nan 4.420 nan 0.000 0.267 146 P C 0.350 177.365 177.300 -0.475 0.000 1.200 146 P CA -0.346 62.147 63.100 -1.012 0.000 0.772 146 P CB 0.417 31.774 31.700 -0.572 0.000 0.855 147 L N 4.416 125.471 121.223 -0.279 0.000 2.044 147 L HA 0.019 4.362 4.340 0.004 0.000 0.205 147 L C 0.288 177.091 176.870 -0.111 0.000 1.075 147 L CA 1.916 56.675 54.840 -0.135 0.000 0.747 147 L CB 0.112 42.155 42.059 -0.027 0.000 0.903 147 L HN 0.094 nan 8.230 nan 0.000 0.435 148 V N -0.205 119.649 119.914 -0.100 0.000 2.656 148 V HA 0.558 4.681 4.120 0.004 0.000 0.307 148 V C -0.134 175.916 176.094 -0.073 0.000 1.051 148 V CA -0.023 62.234 62.300 -0.071 0.000 0.893 148 V CB 1.612 33.413 31.823 -0.036 0.000 0.999 148 V HN 0.476 nan 8.190 nan 0.000 0.426 149 T N 1.831 116.345 114.554 -0.067 0.000 2.864 149 T HA 0.529 4.881 4.350 0.004 0.000 0.289 149 T C -2.399 172.279 174.700 -0.037 0.000 1.082 149 T CA -2.045 60.023 62.100 -0.053 0.000 1.009 149 T CB 2.074 70.901 68.868 -0.069 0.000 1.234 149 T HN 0.304 nan 8.240 nan 0.000 0.526 150 P HA -0.030 nan 4.420 nan 0.000 0.220 150 P C 1.319 178.600 177.300 -0.032 0.000 1.144 150 P CA 0.961 64.045 63.100 -0.026 0.000 0.800 150 P CB -0.070 31.617 31.700 -0.021 0.000 0.772 151 S N -2.279 113.398 115.700 -0.037 0.000 2.527 151 S HA 0.016 4.488 4.470 0.004 0.000 0.222 151 S C 0.780 175.355 174.600 -0.042 0.000 0.985 151 S CA 0.447 58.623 58.200 -0.039 0.000 0.921 151 S CB -0.804 62.371 63.200 -0.041 0.000 0.772 151 S HN 0.212 nan 8.310 nan 0.000 0.529 152 T N 4.754 119.281 114.554 -0.046 0.000 2.908 152 T HA 0.109 4.461 4.350 0.004 0.000 0.301 152 T C -2.518 172.157 174.700 -0.042 0.000 1.019 152 T CA -0.662 61.410 62.100 -0.047 0.000 1.152 152 T CB 0.233 69.071 68.868 -0.049 0.000 0.966 152 T HN 0.050 nan 8.240 nan 0.000 0.540 153 P HA 0.167 nan 4.420 nan 0.000 0.262 153 P C 1.062 178.339 177.300 -0.039 0.000 1.182 153 P CA 0.949 64.026 63.100 -0.038 0.000 0.761 153 P CB 0.197 31.875 31.700 -0.038 0.000 0.795 154 G N 3.061 111.839 108.800 -0.038 0.000 2.199 154 G HA2 -0.289 3.674 3.960 0.004 0.000 0.254 154 G HA3 -0.289 3.674 3.960 0.004 0.000 0.254 154 G C 0.841 175.718 174.900 -0.039 0.000 0.982 154 G CA 0.002 45.079 45.100 -0.039 0.000 0.632 154 G HN 0.419 nan 8.290 nan 0.000 0.529 155 M N 1.752 121.330 119.600 -0.036 0.000 2.556 155 M HA 0.210 4.692 4.480 0.004 0.000 0.245 155 M C 1.667 177.947 176.300 -0.032 0.000 1.128 155 M CA 0.908 56.189 55.300 -0.032 0.000 1.069 155 M CB -0.436 32.148 32.600 -0.028 0.000 1.469 155 M HN 0.648 nan 8.290 nan 0.000 0.494 156 S N -0.268 115.411 115.700 -0.035 0.000 2.576 156 S HA 0.534 5.006 4.470 0.004 0.000 0.276 156 S C 1.306 175.880 174.600 -0.044 0.000 1.339 156 S CA 0.353 58.531 58.200 -0.037 0.000 1.039 156 S CB 1.315 64.493 63.200 -0.036 0.000 0.902 156 S HN 0.622 nan 8.310 nan 0.000 0.516 157 G N 0.716 109.486 108.800 -0.050 0.000 2.284 157 G HA2 -0.231 3.731 3.960 0.004 0.000 0.216 157 G HA3 -0.231 3.731 3.960 0.004 0.000 0.216 157 G C 0.020 174.878 174.900 -0.070 0.000 1.009 157 G CA -0.175 44.888 45.100 -0.062 0.000 0.625 157 G HN 1.168 nan 8.290 nan 0.000 0.501 158 V N 1.959 121.840 119.914 -0.055 0.000 2.572 158 V HA 0.328 4.451 4.120 0.004 0.000 0.291 158 V C 1.816 177.863 176.094 -0.078 0.000 1.039 158 V CA 0.460 62.727 62.300 -0.054 0.000 1.055 158 V CB 1.499 33.311 31.823 -0.019 0.000 0.969 158 V HN 0.200 nan 8.190 nan 0.000 0.482 159 V N 4.158 123.986 119.914 -0.143 0.000 2.331 159 V HA 0.031 4.154 4.120 0.004 0.000 0.242 159 V C 0.267 176.290 176.094 -0.118 0.000 1.034 159 V CA 1.061 63.230 62.300 -0.219 0.000 1.027 159 V CB 0.036 31.598 31.823 -0.436 0.000 0.667 159 V HN 0.807 nan 8.190 nan 0.000 0.457 160 W N 0.541 121.680 121.300 -0.269 0.000 2.336 160 W HA 0.491 5.154 4.660 0.004 0.000 0.315 160 W C -0.611 175.618 176.519 -0.484 0.000 1.016 160 W CA -1.706 55.306 57.345 -0.555 0.000 1.318 160 W CB 0.974 29.743 29.460 -1.152 0.000 1.247 160 W HN -0.017 nan 8.180 nan 0.000 0.414 161 L N 7.561 128.755 121.223 -0.048 0.000 2.423 161 L HA 0.222 4.565 4.340 0.004 0.000 0.249 161 L C -0.549 176.436 176.870 0.192 0.000 1.276 161 L CA 0.085 54.960 54.840 0.059 0.000 1.199 161 L CB -1.432 40.652 42.059 0.041 0.000 1.407 161 L HN 0.168 nan 8.230 nan 0.000 0.410 162 F N -0.837 119.218 119.950 0.175 0.000 3.205 162 F HA 0.582 5.112 4.527 0.005 0.000 0.336 162 F C -0.215 175.707 175.800 0.204 0.000 1.255 162 F CA -2.178 55.923 58.000 0.168 0.000 0.998 162 F CB -0.445 38.664 39.000 0.182 0.000 1.531 162 F HN -0.015 nan 8.300 nan 0.000 0.521 163 D N 1.785 122.318 120.400 0.221 0.000 2.890 163 D HA -0.093 4.549 4.640 0.004 0.000 0.226 163 D C -2.559 173.874 176.300 0.221 0.000 1.207 163 D CA 0.597 54.663 54.000 0.110 0.000 0.764 163 D CB -1.332 39.444 40.800 -0.040 0.000 0.948 163 D HN 0.376 nan 8.370 nan 0.000 0.404 164 P HA 0.387 nan 4.420 nan 0.000 0.274 164 P C -0.908 176.501 177.300 0.181 0.000 1.231 164 P CA -0.390 62.822 63.100 0.187 0.000 0.790 164 P CB 1.399 33.189 31.700 0.148 0.000 0.951 165 A N 2.448 125.390 122.820 0.203 0.000 2.375 165 A HA 0.570 4.892 4.320 0.004 0.000 0.295 165 A C -1.068 176.671 177.584 0.260 0.000 1.066 165 A CA -0.614 51.551 52.037 0.213 0.000 0.722 165 A CB 1.218 20.337 19.000 0.198 0.000 1.206 165 A HN 0.290 nan 8.150 nan 0.000 0.435 166 V N 2.682 122.697 119.914 0.170 0.000 2.495 166 V HA 0.644 4.767 4.120 0.004 0.000 0.298 166 V C -1.054 175.250 176.094 0.350 0.000 1.031 166 V CA -0.422 61.951 62.300 0.122 0.000 0.871 166 V CB 1.531 33.126 31.823 -0.380 0.000 0.988 166 V HN 0.834 nan 8.190 nan 0.000 0.432 167 F N 5.216 125.337 119.950 0.285 0.000 2.529 167 F HA 0.740 5.269 4.527 0.003 0.000 0.320 167 F C -0.650 175.342 175.800 0.320 0.000 1.118 167 F CA -0.803 57.401 58.000 0.341 0.000 0.915 167 F CB 1.868 41.139 39.000 0.453 0.000 1.161 167 F HN 0.238 nan 8.300 nan 0.000 0.445 168 V N 5.909 125.606 119.914 -0.361 0.000 2.333 168 V HA 0.209 4.332 4.120 0.004 0.000 0.274 168 V C -0.034 175.631 176.094 -0.716 0.000 1.028 168 V CA -0.589 61.493 62.300 -0.364 0.000 0.851 168 V CB 0.884 32.627 31.823 -0.133 0.000 1.000 168 V HN 0.717 nan 8.190 nan 0.000 0.456 169 D N 2.964 123.086 120.400 -0.463 0.000 2.371 169 D HA 0.053 4.696 4.640 0.004 0.000 0.242 169 D C 1.116 177.410 176.300 -0.011 0.000 1.218 169 D CA -0.317 53.569 54.000 -0.190 0.000 0.945 169 D CB 1.052 42.090 40.800 0.397 0.000 1.137 169 D HN 0.527 nan 8.370 nan 0.000 0.464 170 D N -0.233 120.245 120.400 0.130 0.000 2.182 170 D HA -0.170 4.472 4.640 0.004 0.000 0.201 170 D C 0.981 177.331 176.300 0.084 0.000 0.986 170 D CA 0.968 55.031 54.000 0.106 0.000 0.847 170 D CB -0.064 40.813 40.800 0.129 0.000 0.942 170 D HN 0.545 nan 8.370 nan 0.000 0.467 171 D N -0.802 119.662 120.400 0.106 0.000 2.349 171 D HA 0.066 4.708 4.640 0.004 0.000 0.224 171 D C 1.527 177.851 176.300 0.041 0.000 1.029 171 D CA 0.803 54.850 54.000 0.078 0.000 0.879 171 D CB -0.123 40.737 40.800 0.101 0.000 0.906 171 D HN 0.228 nan 8.370 nan 0.000 0.528 172 G N -0.582 108.230 108.800 0.020 0.000 2.176 172 G HA2 -0.261 3.701 3.960 0.004 0.000 0.253 172 G HA3 -0.261 3.701 3.960 0.004 0.000 0.253 172 G C 0.362 175.225 174.900 -0.062 0.000 0.979 172 G CA 0.352 45.440 45.100 -0.021 0.000 0.641 172 G HN 0.462 nan 8.290 nan 0.000 0.530 173 T N 1.494 116.017 114.554 -0.051 0.000 2.794 173 T HA 0.543 4.896 4.350 0.004 0.000 0.296 173 T C 0.891 175.430 174.700 -0.269 0.000 0.949 173 T CA 0.450 62.441 62.100 -0.181 0.000 1.101 173 T CB 1.588 70.342 68.868 -0.189 0.000 0.905 173 T HN 0.981 nan 8.240 nan 0.000 0.516 174 G N 2.008 110.595 108.800 -0.354 0.000 2.420 174 G HA2 0.550 4.513 3.960 0.004 0.000 0.284 174 G HA3 0.550 4.513 3.960 0.004 0.000 0.284 174 G C -1.432 173.177 174.900 -0.487 0.000 1.177 174 G CA -0.401 44.532 45.100 -0.278 0.000 0.841 174 G HN 0.649 nan 8.290 nan 0.000 0.527 175 Y N 0.004 120.349 120.300 0.074 0.000 2.442 175 Y HA 0.456 5.008 4.550 0.004 0.000 0.344 175 Y C -0.294 175.608 175.900 0.002 0.000 0.976 175 Y CA -0.988 57.129 58.100 0.028 0.000 1.040 175 Y CB 2.576 41.115 38.460 0.132 0.000 1.228 175 Y HN 0.517 nan 8.280 nan 0.000 0.451 176 L N 4.030 125.227 121.223 -0.043 0.000 2.305 176 L HA 0.583 4.926 4.340 0.004 0.000 0.284 176 L C -1.848 174.918 176.870 -0.173 0.000 1.013 176 L CA -0.880 53.919 54.840 -0.068 0.000 0.819 176 L CB 0.242 42.218 42.059 -0.138 0.000 1.227 176 L HN 0.508 nan 8.230 nan 0.000 0.417 177 Y N 4.400 124.767 120.300 0.111 0.000 2.360 177 Y HA 0.851 5.403 4.550 0.005 0.000 0.337 177 Y C 0.416 176.401 175.900 0.143 0.000 1.039 177 Y CA -0.197 57.986 58.100 0.139 0.000 1.109 177 Y CB 1.907 40.516 38.460 0.249 0.000 1.201 177 Y HN 0.863 nan 8.280 nan 0.000 0.458 178 A N 1.301 124.273 122.820 0.254 0.000 2.586 178 A HA 0.880 5.203 4.320 0.004 0.000 0.290 178 A C -0.222 177.513 177.584 0.251 0.000 1.086 178 A CA -0.174 52.013 52.037 0.250 0.000 0.665 178 A CB 1.166 20.269 19.000 0.172 0.000 1.279 178 A HN 1.540 nan 8.150 nan 0.000 0.423 179 G N -1.404 107.594 108.800 0.329 0.000 2.409 179 G HA2 0.653 4.615 3.960 0.004 0.000 0.421 179 G HA3 0.653 4.615 3.960 0.004 0.000 0.421 179 G C 0.749 175.880 174.900 0.385 0.000 1.259 179 G CA 0.878 46.143 45.100 0.274 0.000 1.011 179 G HN 3.115 nan 8.290 nan 0.000 0.497 180 G N -2.310 106.624 108.800 0.224 0.000 2.293 180 G HA2 0.597 4.559 3.960 0.004 0.000 0.282 180 G HA3 0.597 4.559 3.960 0.004 0.000 0.282 180 G C 0.971 175.840 174.900 -0.052 0.000 1.299 180 G CA 1.308 46.548 45.100 0.232 0.000 1.018 180 G HN 3.216 nan 8.290 nan 0.000 0.478 181 G N -2.694 105.959 108.800 -0.245 0.000 2.746 181 G HA2 0.393 4.356 3.960 0.004 0.000 0.685 181 G HA3 0.393 4.356 3.960 0.004 0.000 0.685 181 G C -0.619 173.999 174.900 -0.470 0.000 1.350 181 G CA 0.338 44.806 45.100 -1.055 0.000 0.837 181 G HN 1.929 nan 8.290 nan 0.000 0.564 182 V N 2.825 122.421 119.914 -0.531 0.000 2.577 182 V HA 0.647 4.769 4.120 0.004 0.000 0.303 182 V C -1.573 174.274 176.094 -0.412 0.000 1.042 182 V CA -0.846 61.233 62.300 -0.368 0.000 0.872 182 V CB 2.082 33.658 31.823 -0.411 0.000 0.998 182 V HN 0.892 nan 8.190 nan 0.000 0.423 183 P HA 0.337 nan 4.420 nan 0.000 0.272 183 P C 0.702 177.823 177.300 -0.298 0.000 1.240 183 P CA 0.733 63.671 63.100 -0.271 0.000 0.791 183 P CB 1.118 32.693 31.700 -0.208 0.000 0.978 184 G N -0.824 107.846 108.800 -0.218 0.000 2.163 184 G HA2 -0.178 3.784 3.960 0.004 0.000 0.213 184 G HA3 -0.178 3.784 3.960 0.004 0.000 0.213 184 G C 0.393 175.200 174.900 -0.154 0.000 0.991 184 G CA -0.016 44.968 45.100 -0.193 0.000 0.653 184 G HN 0.493 nan 8.290 nan 0.000 0.518 185 V N -0.250 119.581 119.914 -0.138 0.000 0.688 185 V HA -0.451 3.672 4.120 0.004 0.000 0.092 185 V C 2.756 178.828 176.094 -0.037 0.000 0.817 185 V CA 3.826 66.086 62.300 -0.066 0.000 3.106 185 V CB -2.011 29.796 31.823 -0.027 0.000 0.213 185 V HN 1.863 nan 8.190 nan 0.000 0.135 186 S N 1.260 116.960 115.700 -0.000 0.000 2.414 186 S HA 0.042 4.514 4.470 0.004 0.000 0.227 186 S C 0.603 175.234 174.600 0.052 0.000 1.022 186 S CA 1.396 59.622 58.200 0.043 0.000 0.958 186 S CB -0.404 62.827 63.200 0.052 0.000 0.797 186 S HN 0.874 nan 8.310 nan 0.000 0.493 187 N N 2.236 120.941 118.700 0.008 0.000 2.762 187 N HA 0.415 5.157 4.740 0.004 0.000 0.252 187 N C -3.241 172.231 175.510 -0.062 0.000 1.269 187 N CA -1.217 51.853 53.050 0.034 0.000 0.799 187 N CB 1.619 40.140 38.487 0.056 0.000 1.173 187 N HN 0.187 nan 8.380 nan 0.000 0.516 188 P HA 0.017 nan 4.420 nan 0.000 0.269 188 P C 0.350 177.525 177.300 -0.209 0.000 1.209 188 P CA -0.162 62.674 63.100 -0.441 0.000 0.776 188 P CB 0.497 31.486 31.700 -1.185 0.000 0.876 189 T N -0.788 113.678 114.554 -0.147 0.000 2.802 189 T HA 0.000 4.353 4.350 0.004 0.000 0.305 189 T C 1.290 176.040 174.700 0.084 0.000 1.053 189 T CA -0.235 61.859 62.100 -0.012 0.000 1.058 189 T CB 0.456 69.304 68.868 -0.033 0.000 0.988 189 T HN 0.291 nan 8.240 nan 0.000 0.539 190 Q N 1.621 121.525 119.800 0.173 0.000 2.096 190 Q HA -0.062 4.280 4.340 0.004 0.000 0.208 190 Q C 2.348 178.405 176.000 0.094 0.000 0.993 190 Q CA 2.630 58.565 55.803 0.220 0.000 0.862 190 Q CB -1.244 27.574 28.738 0.133 0.000 0.915 190 Q HN 0.985 nan 8.270 nan 0.000 0.416 191 G N -0.606 108.190 108.800 -0.006 0.000 2.422 191 G HA2 -0.251 3.712 3.960 0.004 0.000 0.218 191 G HA3 -0.251 3.712 3.960 0.004 0.000 0.218 191 G C 1.258 176.072 174.900 -0.143 0.000 1.140 191 G CA 0.671 45.719 45.100 -0.086 0.000 0.775 191 G HN 0.459 nan 8.290 nan 0.000 0.545 192 Q N -0.725 118.984 119.800 -0.151 0.000 2.079 192 Q HA -0.104 4.238 4.340 0.004 0.000 0.200 192 Q C 2.321 178.176 176.000 -0.243 0.000 0.974 192 Q CA 1.116 56.779 55.803 -0.233 0.000 0.840 192 Q CB -0.199 28.355 28.738 -0.306 0.000 0.898 192 Q HN 0.741 nan 8.270 nan 0.000 0.430 193 W N 0.518 121.737 121.300 -0.137 0.000 2.335 193 W HA -0.219 4.444 4.660 0.004 0.000 0.311 193 W C 2.493 178.709 176.519 -0.505 0.000 1.213 193 W CA 0.915 58.180 57.345 -0.133 0.000 1.274 193 W CB -0.197 29.279 29.460 0.028 0.000 1.148 193 W HN 0.166 nan 8.180 nan 0.000 0.498 194 A N -0.472 122.001 122.820 -0.578 0.000 1.929 194 A HA -0.059 4.263 4.320 0.004 0.000 0.216 194 A C 0.965 178.079 177.584 -0.783 0.000 1.176 194 A CA 1.092 52.273 52.037 -1.425 0.000 0.628 194 A CB -0.385 18.050 19.000 -0.941 0.000 0.816 194 A HN 0.229 nan 8.150 nan 0.000 0.444 195 N N -0.684 117.773 118.700 -0.405 0.000 2.791 195 N HA 0.222 4.964 4.740 0.004 0.000 0.265 195 N C -2.519 172.880 175.510 -0.185 0.000 1.580 195 N CA -0.966 51.932 53.050 -0.254 0.000 0.809 195 N CB 1.204 39.572 38.487 -0.197 0.000 1.178 195 N HN 0.065 nan 8.380 nan 0.000 0.499 196 P HA -0.120 nan 4.420 nan 0.000 0.218 196 P C -0.140 177.088 177.300 -0.121 0.000 1.148 196 P CA 1.176 64.196 63.100 -0.134 0.000 0.822 196 P CB 0.257 31.915 31.700 -0.071 0.000 0.784 197 K N -1.679 118.656 120.400 -0.107 0.000 3.071 197 K HA -0.153 4.169 4.320 0.004 0.000 0.265 197 K C 0.434 176.985 176.600 -0.082 0.000 1.060 197 K CA 1.009 57.239 56.287 -0.095 0.000 0.767 197 K CB -2.500 29.944 32.500 -0.094 0.000 1.241 197 K HN 0.397 nan 8.250 nan 0.000 0.486 198 T N -3.373 111.140 114.554 -0.068 0.000 3.054 198 T HA 0.413 4.766 4.350 0.004 0.000 0.255 198 T C 0.653 175.351 174.700 -0.004 0.000 1.035 198 T CA 0.084 62.154 62.100 -0.049 0.000 0.941 198 T CB 0.551 69.378 68.868 -0.067 0.000 1.026 198 T HN 0.358 nan 8.240 nan 0.000 0.533 199 A N 2.100 124.911 122.820 -0.016 0.000 2.354 199 A HA 0.748 5.070 4.320 0.004 0.000 0.269 199 A C 0.066 177.616 177.584 -0.057 0.000 1.109 199 A CA -0.699 51.338 52.037 -0.000 0.000 0.800 199 A CB 0.488 19.458 19.000 -0.050 0.000 1.045 199 A HN 0.288 nan 8.150 nan 0.000 0.489 200 R N 0.628 121.112 120.500 -0.026 0.000 2.744 200 R HA 0.644 4.986 4.340 0.004 0.000 0.279 200 R C -1.569 174.673 176.300 -0.098 0.000 0.977 200 R CA -0.699 55.366 56.100 -0.058 0.000 0.906 200 R CB 1.742 32.025 30.300 -0.028 0.000 1.197 200 R HN 0.617 nan 8.270 nan 0.000 0.463 201 V N 3.560 123.373 119.914 -0.168 0.000 2.656 201 V HA 0.660 4.782 4.120 0.004 0.000 0.307 201 V C -0.852 175.123 176.094 -0.198 0.000 1.051 201 V CA -0.819 61.274 62.300 -0.344 0.000 0.893 201 V CB 2.073 33.579 31.823 -0.529 0.000 0.999 201 V HN 0.731 nan 8.190 nan 0.000 0.426 202 I N 5.066 125.525 120.570 -0.184 0.000 2.619 202 I HA 0.513 4.686 4.170 0.004 0.000 0.292 202 I C -0.299 175.781 176.117 -0.061 0.000 1.100 202 I CA -0.849 60.395 61.300 -0.092 0.000 1.043 202 I CB 1.813 39.764 38.000 -0.082 0.000 1.239 202 I HN 0.751 nan 8.210 nan 0.000 0.420 203 K N 6.838 127.215 120.400 -0.038 0.000 2.326 203 K HA 0.384 4.706 4.320 0.004 0.000 0.275 203 K C -1.145 175.332 176.600 -0.205 0.000 1.018 203 K CA -0.298 55.887 56.287 -0.169 0.000 0.962 203 K CB 0.709 33.120 32.500 -0.149 0.000 0.953 203 K HN 0.565 nan 8.250 nan 0.000 0.475 204 L N 2.645 123.692 121.223 -0.294 0.000 2.379 204 L HA 0.333 4.676 4.340 0.004 0.000 0.269 204 L C 1.068 177.814 176.870 -0.207 0.000 1.084 204 L CA -0.746 53.965 54.840 -0.216 0.000 0.802 204 L CB 1.340 43.268 42.059 -0.217 0.000 1.175 204 L HN 0.820 nan 8.230 nan 0.000 0.448 205 G N 1.060 109.770 108.800 -0.150 0.000 2.667 205 G HA2 0.177 4.139 3.960 0.004 0.000 0.250 205 G HA3 0.177 4.139 3.960 0.004 0.000 0.250 205 G C -1.886 172.926 174.900 -0.146 0.000 1.212 205 G CA -0.841 44.182 45.100 -0.129 0.000 0.874 205 G HN 0.485 nan 8.290 nan 0.000 0.561 206 P HA -0.130 nan 4.420 nan 0.000 0.217 206 P C 1.304 178.534 177.300 -0.117 0.000 1.151 206 P CA 1.671 64.707 63.100 -0.106 0.000 0.849 206 P CB 0.138 31.799 31.700 -0.065 0.000 0.787 207 D N -2.248 118.091 120.400 -0.101 0.000 2.363 207 D HA -0.090 4.552 4.640 0.004 0.000 0.220 207 D C 1.010 177.163 176.300 -0.244 0.000 0.994 207 D CA 0.468 54.419 54.000 -0.080 0.000 0.890 207 D CB -0.660 40.134 40.800 -0.011 0.000 0.906 207 D HN -0.011 nan 8.370 nan 0.000 0.530 208 M N -0.664 118.736 119.600 -0.333 0.000 2.901 208 M HA -0.168 4.314 4.480 0.004 0.000 0.182 208 M C 0.477 176.628 176.300 -0.248 0.000 0.641 208 M CA 1.572 56.571 55.300 -0.501 0.000 0.689 208 M CB -3.033 28.747 32.600 -1.365 0.000 2.484 208 M HN 0.458 nan 8.290 nan 0.000 0.302 209 T N -1.926 112.566 114.554 -0.103 0.000 3.331 209 T HA 0.534 4.886 4.350 0.004 0.000 0.282 209 T C 0.314 175.013 174.700 -0.002 0.000 1.010 209 T CA 0.505 62.616 62.100 0.018 0.000 0.928 209 T CB 0.304 69.225 68.868 0.088 0.000 1.154 209 T HN 0.558 nan 8.240 nan 0.000 0.516 210 S N 0.043 115.724 115.700 -0.032 0.000 2.615 210 S HA 0.786 5.259 4.470 0.004 0.000 0.269 210 S C -0.771 173.792 174.600 -0.062 0.000 1.161 210 S CA -0.493 57.681 58.200 -0.044 0.000 0.817 210 S CB 1.423 64.594 63.200 -0.047 0.000 1.131 210 S HN 0.941 nan 8.310 nan 0.000 0.467 211 V N -1.312 118.563 119.914 -0.065 0.000 2.919 211 V HA 0.983 5.105 4.120 0.004 0.000 0.316 211 V C -0.755 175.294 176.094 -0.076 0.000 1.077 211 V CA -0.839 61.415 62.300 -0.077 0.000 0.977 211 V CB 1.409 33.190 31.823 -0.070 0.000 1.039 211 V HN 0.891 nan 8.190 nan 0.000 0.441 212 V N 3.179 123.043 119.914 -0.084 0.000 2.495 212 V HA 0.886 5.008 4.120 0.004 0.000 0.298 212 V C 1.033 177.092 176.094 -0.058 0.000 1.031 212 V CA 0.678 62.935 62.300 -0.070 0.000 0.871 212 V CB 0.495 32.269 31.823 -0.081 0.000 0.988 212 V HN 1.878 nan 8.190 nan 0.000 0.432 213 G N 4.713 113.485 108.800 -0.047 0.000 2.547 213 G HA2 -0.163 3.799 3.960 0.004 0.000 0.271 213 G HA3 -0.163 3.799 3.960 0.004 0.000 0.271 213 G C 0.050 174.926 174.900 -0.040 0.000 1.209 213 G CA 0.109 45.186 45.100 -0.039 0.000 0.959 213 G HN 1.688 nan 8.290 nan 0.000 0.563 214 S N -0.560 115.118 115.700 -0.037 0.000 2.638 214 S HA 0.871 5.343 4.470 0.004 0.000 0.302 214 S C 0.151 174.726 174.600 -0.042 0.000 1.096 214 S CA 0.488 58.664 58.200 -0.039 0.000 0.953 214 S CB 1.892 65.070 63.200 -0.036 0.000 1.107 214 S HN 2.393 nan 8.310 nan 0.000 0.503 215 A N 1.565 124.357 122.820 -0.047 0.000 2.440 215 A HA 0.601 4.924 4.320 0.004 0.000 0.251 215 A C 0.372 177.925 177.584 -0.051 0.000 1.089 215 A CA -0.434 51.570 52.037 -0.054 0.000 0.779 215 A CB -0.206 18.761 19.000 -0.054 0.000 1.022 215 A HN 0.777 nan 8.150 nan 0.000 0.492 216 S N 0.852 116.518 115.700 -0.057 0.000 2.554 216 S HA 0.430 4.903 4.470 0.004 0.000 0.278 216 S C 0.346 174.910 174.600 -0.059 0.000 1.242 216 S CA -0.366 57.804 58.200 -0.050 0.000 1.051 216 S CB 1.078 64.254 63.200 -0.040 0.000 0.986 216 S HN 0.749 nan 8.310 nan 0.000 0.502 217 T N 3.215 117.737 114.554 -0.054 0.000 2.851 217 T HA 0.313 4.665 4.350 0.004 0.000 0.298 217 T C 0.146 174.806 174.700 -0.067 0.000 0.977 217 T CA 0.022 62.083 62.100 -0.065 0.000 1.126 217 T CB -0.107 68.725 68.868 -0.060 0.000 0.916 217 T HN 0.377 nan 8.240 nan 0.000 0.529 218 I N 3.066 123.563 120.570 -0.121 0.000 2.312 218 I HA 0.161 4.333 4.170 0.004 0.000 0.290 218 I C 0.414 176.442 176.117 -0.149 0.000 1.008 218 I CA -0.579 60.628 61.300 -0.156 0.000 1.226 218 I CB 1.125 38.858 38.000 -0.446 0.000 1.371 218 I HN 0.490 nan 8.210 nan 0.000 0.468 219 D N 6.794 127.146 120.400 -0.079 0.000 2.608 219 D HA 0.209 4.851 4.640 0.004 0.000 0.224 219 D C 0.175 176.424 176.300 -0.086 0.000 1.123 219 D CA -0.088 53.865 54.000 -0.079 0.000 1.030 219 D CB 0.272 41.043 40.800 -0.048 0.000 1.093 219 D HN 0.541 nan 8.370 nan 0.000 0.497 220 A N 3.618 126.332 122.820 -0.176 0.000 2.396 220 A HA 0.411 4.733 4.320 0.004 0.000 0.279 220 A C -2.206 175.282 177.584 -0.160 0.000 1.165 220 A CA -1.174 50.692 52.037 -0.284 0.000 0.824 220 A CB 0.201 18.700 19.000 -0.836 0.000 1.100 220 A HN 0.306 nan 8.150 nan 0.000 0.516 221 P HA 0.201 nan 4.420 nan 0.000 0.267 221 P C -0.234 177.195 177.300 0.216 0.000 1.205 221 P CA 0.184 63.272 63.100 -0.021 0.000 0.765 221 P CB -0.154 31.502 31.700 -0.074 0.000 0.828 222 F N -1.560 118.395 119.950 0.008 0.000 3.067 222 F HA -0.232 4.297 4.527 0.004 0.000 0.279 222 F C 0.964 176.931 175.800 0.280 0.000 0.945 222 F CA 0.139 58.192 58.000 0.088 0.000 0.948 222 F CB -1.910 37.062 39.000 -0.046 0.000 0.898 222 F HN 0.258 nan 8.300 nan 0.000 0.746 223 M N 0.248 120.023 119.600 0.292 0.000 2.245 223 M HA 0.161 4.643 4.480 0.004 0.000 0.335 223 M C 0.410 177.027 176.300 0.528 0.000 1.155 223 M CA 0.661 56.151 55.300 0.317 0.000 1.055 223 M CB 0.233 32.872 32.600 0.065 0.000 1.670 223 M HN 0.237 nan 8.290 nan 0.000 0.447 224 F N 2.423 122.620 119.950 0.411 0.000 2.347 224 F HA 0.384 4.913 4.527 0.004 0.000 0.266 224 F C 0.255 176.373 175.800 0.529 0.000 0.884 224 F CA 1.190 59.448 58.000 0.430 0.000 1.123 224 F CB 0.156 39.426 39.000 0.450 0.000 1.098 224 F HN 0.761 nan 8.300 nan 0.000 0.803 225 E N -1.184 119.302 120.200 0.477 0.000 2.094 225 E HA 0.193 4.546 4.350 0.004 0.000 0.237 225 E C -1.207 175.563 176.600 0.284 0.000 1.460 225 E CA -0.112 56.520 56.400 0.386 0.000 0.965 225 E CB 0.558 30.406 29.700 0.247 0.000 1.641 225 E HN -0.117 nan 8.360 nan 0.000 0.532 226 D N 0.119 120.586 120.400 0.111 0.000 2.718 226 D HA -0.134 4.508 4.640 0.004 0.000 0.242 226 D C -1.088 175.210 176.300 -0.004 0.000 1.123 226 D CA 1.156 55.093 54.000 -0.105 0.000 0.690 226 D CB -1.288 39.422 40.800 -0.151 0.000 1.059 226 D HN 0.561 nan 8.370 nan 0.000 0.429 227 S N 0.023 115.787 115.700 0.108 0.000 2.558 227 S HA 0.522 4.994 4.470 0.004 0.000 0.287 227 S C 0.733 175.289 174.600 -0.074 0.000 1.321 227 S CA 0.446 58.707 58.200 0.102 0.000 1.048 227 S CB 1.389 64.811 63.200 0.370 0.000 0.844 227 S HN 0.696 nan 8.310 nan 0.000 0.512 228 G N 1.112 109.792 108.800 -0.200 0.000 2.720 228 G HA2 0.578 4.541 3.960 0.004 0.000 0.295 228 G HA3 0.578 4.541 3.960 0.004 0.000 0.295 228 G C -2.017 172.784 174.900 -0.165 0.000 1.437 228 G CA -0.420 44.588 45.100 -0.153 0.000 0.886 228 G HN 0.546 nan 8.290 nan 0.000 0.509 229 L N 2.665 123.844 121.223 -0.074 0.000 2.470 229 L HA 0.592 4.934 4.340 0.004 0.000 0.268 229 L C -1.144 175.771 176.870 0.075 0.000 0.964 229 L CA -0.674 54.070 54.840 -0.160 0.000 0.839 229 L CB 1.571 43.299 42.059 -0.551 0.000 1.276 229 L HN 0.939 nan 8.230 nan 0.000 0.403 230 H N 2.749 121.832 119.070 0.021 0.000 2.894 230 H HA 0.549 5.107 4.556 0.004 0.000 0.368 230 H C -1.747 173.633 175.328 0.086 0.000 1.181 230 H CA -0.953 55.167 56.048 0.119 0.000 1.146 230 H CB 2.786 32.698 29.762 0.250 0.000 1.839 230 H HN 0.550 nan 8.280 nan 0.000 0.557 231 K N 1.640 122.149 120.400 0.181 0.000 2.413 231 K HA 0.313 4.636 4.320 0.004 0.000 0.257 231 K C -2.125 174.574 176.600 0.164 0.000 0.946 231 K CA -0.789 55.527 56.287 0.049 0.000 0.823 231 K CB 1.588 34.143 32.500 0.091 0.000 1.109 231 K HN 0.601 nan 8.250 nan 0.000 0.427 232 Y N 4.458 124.663 120.300 -0.157 0.000 2.373 232 Y HA 0.210 4.761 4.550 0.003 0.000 0.336 232 Y C -0.193 175.628 175.900 -0.132 0.000 0.979 232 Y CA -0.594 57.329 58.100 -0.294 0.000 1.080 232 Y CB 1.264 39.073 38.460 -1.086 0.000 1.190 232 Y HN 0.933 nan 8.280 nan 0.000 0.446 233 N N 4.166 122.442 118.700 -0.706 0.000 2.716 233 N HA -0.203 4.540 4.740 0.004 0.000 0.250 233 N C 0.725 176.097 175.510 -0.231 0.000 1.033 233 N CA 2.067 54.798 53.050 -0.531 0.000 0.727 233 N CB -1.146 36.907 38.487 -0.724 0.000 0.950 233 N HN 1.631 nan 8.380 nan 0.000 0.541 234 G N -2.906 105.782 108.800 -0.186 0.000 2.176 234 G HA2 -0.264 3.698 3.960 0.004 0.000 0.253 234 G HA3 -0.264 3.698 3.960 0.004 0.000 0.253 234 G C 0.228 174.981 174.900 -0.244 0.000 0.979 234 G CA 0.595 45.590 45.100 -0.174 0.000 0.641 234 G HN 0.707 nan 8.290 nan 0.000 0.530 235 T N 0.473 114.915 114.554 -0.187 0.000 2.855 235 T HA 0.598 4.950 4.350 0.004 0.000 0.281 235 T C -0.647 173.949 174.700 -0.174 0.000 1.007 235 T CA -0.303 61.705 62.100 -0.153 0.000 1.009 235 T CB 1.226 70.058 68.868 -0.061 0.000 0.983 235 T HN 0.209 nan 8.240 nan 0.000 0.455 236 Y N 1.502 121.794 120.300 -0.012 0.000 2.313 236 Y HA 0.409 4.962 4.550 0.005 0.000 0.332 236 Y C -0.301 175.643 175.900 0.072 0.000 1.071 236 Y CA -0.769 57.353 58.100 0.037 0.000 1.169 236 Y CB 0.646 39.125 38.460 0.032 0.000 1.192 236 Y HN 0.595 nan 8.280 nan 0.000 0.487 237 Y N 3.177 123.496 120.300 0.031 0.000 2.402 237 Y HA 0.208 4.761 4.550 0.005 0.000 0.332 237 Y C -0.775 175.169 175.900 0.074 0.000 0.960 237 Y CA -1.095 57.024 58.100 0.032 0.000 1.228 237 Y CB 0.663 38.858 38.460 -0.442 0.000 1.120 237 Y HN 0.563 nan 8.280 nan 0.000 0.491 238 Y N 4.441 124.788 120.300 0.079 0.000 2.383 238 Y HA 0.456 5.008 4.550 0.004 0.000 0.344 238 Y C -0.039 175.965 175.900 0.174 0.000 0.986 238 Y CA -0.822 57.170 58.100 -0.181 0.000 1.175 238 Y CB 0.519 38.443 38.460 -0.894 0.000 1.152 238 Y HN 0.553 nan 8.280 nan 0.000 0.511 239 S N 6.117 121.608 115.700 -0.347 0.000 2.607 239 S HA 0.852 5.325 4.470 0.004 0.000 0.303 239 S C -1.341 173.136 174.600 -0.205 0.000 1.086 239 S CA -0.569 57.599 58.200 -0.054 0.000 0.995 239 S CB 2.016 65.410 63.200 0.324 0.000 1.084 239 S HN 0.826 nan 8.310 nan 0.000 0.507 240 Y N -2.391 117.800 120.300 -0.183 0.000 2.677 240 Y HA 0.661 5.214 4.550 0.004 0.000 0.334 240 Y C -0.969 174.933 175.900 0.003 0.000 1.196 240 Y CA -1.601 56.462 58.100 -0.061 0.000 1.059 240 Y CB 0.368 38.816 38.460 -0.019 0.000 1.315 240 Y HN 0.877 nan 8.280 nan 0.000 0.455 241 C N 3.897 123.294 119.300 0.161 0.000 2.394 241 C HA 0.620 5.082 4.460 0.004 0.000 0.362 241 C C 0.374 175.529 174.990 0.275 0.000 1.268 241 C CA -0.550 58.531 59.018 0.105 0.000 1.828 241 C CB -1.638 26.256 27.740 0.258 0.000 2.442 241 C HN 0.679 nan 8.230 nan 0.000 0.549 242 I N 6.791 127.369 120.570 0.013 0.000 2.588 242 I HA 0.136 4.308 4.170 0.004 0.000 0.283 242 I C 0.745 176.847 176.117 -0.025 0.000 1.119 242 I CA 0.126 61.499 61.300 0.120 0.000 1.419 242 I CB 0.619 38.580 38.000 -0.064 0.000 1.394 242 I HN 0.817 nan 8.210 nan 0.000 0.562 243 N N 4.797 123.591 118.700 0.156 0.000 2.294 243 N HA 0.078 4.820 4.740 0.004 0.000 0.248 243 N C -0.136 175.082 175.510 -0.486 0.000 1.300 243 N CA 0.224 53.156 53.050 -0.197 0.000 0.925 243 N CB 0.283 38.894 38.487 0.208 0.000 1.188 243 N HN 0.441 nan 8.380 nan 0.000 0.512 244 F N -2.668 117.038 119.950 -0.407 0.000 2.706 244 F HA 0.456 4.985 4.527 0.004 0.000 0.308 244 F C 1.443 176.895 175.800 -0.579 0.000 1.095 244 F CA -0.299 57.423 58.000 -0.463 0.000 1.244 244 F CB 0.308 39.092 39.000 -0.361 0.000 1.063 244 F HN 0.604 nan 8.300 nan 0.000 0.582 245 G N -0.362 107.990 108.800 -0.746 0.000 2.461 245 G HA2 0.521 4.483 3.960 0.004 0.000 0.329 245 G HA3 0.521 4.483 3.960 0.004 0.000 0.329 245 G C 0.182 174.292 174.900 -1.315 0.000 1.170 245 G CA -0.072 43.989 45.100 -1.731 0.000 0.935 245 G HN 0.471 nan 8.290 nan 0.000 0.492 246 G N -0.870 107.196 108.800 -1.223 0.000 2.855 246 G HA2 0.230 4.192 3.960 0.004 0.000 0.352 246 G HA3 0.230 4.192 3.960 0.004 0.000 0.352 246 G C 0.294 175.153 174.900 -0.070 0.000 1.415 246 G CA 0.215 45.065 45.100 -0.417 0.000 0.871 246 G HN 1.932 nan 8.290 nan 0.000 0.543 247 T N -1.627 112.954 114.554 0.045 0.000 2.913 247 T HA 0.607 4.959 4.350 0.004 0.000 0.297 247 T C 0.129 174.851 174.700 0.036 0.000 1.029 247 T CA 0.049 62.179 62.100 0.050 0.000 1.104 247 T CB 1.140 70.027 68.868 0.031 0.000 0.964 247 T HN 0.735 nan 8.240 nan 0.000 0.532 248 H N 2.245 121.146 119.070 -0.281 0.000 2.572 248 H HA 0.426 4.985 4.556 0.004 0.000 0.359 248 H C -2.017 173.113 175.328 -0.331 0.000 1.134 248 H CA -1.777 53.939 56.048 -0.554 0.000 1.187 248 H CB 2.035 31.371 29.762 -0.710 0.000 1.597 248 H HN 0.634 nan 8.280 nan 0.000 0.524 249 P HA 0.080 nan 4.420 nan 0.000 0.274 249 P C 0.519 177.748 177.300 -0.118 0.000 1.237 249 P CA -0.296 62.740 63.100 -0.108 0.000 0.793 249 P CB 0.954 32.616 31.700 -0.063 0.000 0.977 250 A N 1.916 124.696 122.820 -0.066 0.000 1.986 250 A HA -0.205 4.118 4.320 0.004 0.000 0.220 250 A C 1.585 179.148 177.584 -0.036 0.000 1.171 250 A CA 2.038 54.041 52.037 -0.057 0.000 0.640 250 A CB -1.076 17.914 19.000 -0.016 0.000 0.811 250 A HN 0.735 nan 8.150 nan 0.000 0.451 251 D N -0.961 119.450 120.400 0.018 0.000 2.340 251 D HA 0.003 4.646 4.640 0.004 0.000 0.220 251 D C 0.226 176.608 176.300 0.136 0.000 1.039 251 D CA 0.438 54.532 54.000 0.157 0.000 0.866 251 D CB -0.086 40.843 40.800 0.215 0.000 0.913 251 D HN 0.424 nan 8.370 nan 0.000 0.523 252 K N 1.562 121.896 120.400 -0.109 0.000 2.954 252 K HA 0.285 4.608 4.320 0.004 0.000 0.171 252 K C -2.741 173.690 176.600 -0.281 0.000 1.079 252 K CA -1.482 54.688 56.287 -0.193 0.000 0.908 252 K CB 1.961 34.277 32.500 -0.307 0.000 1.142 252 K HN 0.068 nan 8.250 nan 0.000 0.613 253 P HA 0.136 nan 4.420 nan 0.000 0.275 253 P C -2.581 174.426 177.300 -0.488 0.000 1.227 253 P CA -1.630 61.209 63.100 -0.434 0.000 0.781 253 P CB 0.132 31.547 31.700 -0.474 0.000 0.906 254 P HA -0.031 nan 4.420 nan 0.000 0.264 254 P C 1.043 177.889 177.300 -0.757 0.000 1.193 254 P CA 1.172 63.738 63.100 -0.891 0.000 0.763 254 P CB -0.140 31.012 31.700 -0.914 0.000 0.810 255 G N 1.825 109.985 108.800 -1.066 0.000 2.162 255 G HA2 -0.233 3.730 3.960 0.004 0.000 0.260 255 G HA3 -0.233 3.730 3.960 0.004 0.000 0.260 255 G C 0.004 174.684 174.900 -0.367 0.000 0.976 255 G CA -0.016 44.482 45.100 -1.003 0.000 0.655 255 G HN 0.596 nan 8.290 nan 0.000 0.533 256 E N -0.381 119.604 120.200 -0.358 0.000 2.232 256 E HA 0.548 4.901 4.350 0.004 0.000 0.265 256 E C 0.102 176.500 176.600 -0.336 0.000 1.001 256 E CA -1.161 55.070 56.400 -0.282 0.000 0.870 256 E CB 1.109 30.636 29.700 -0.290 0.000 1.175 256 E HN 0.051 nan 8.360 nan 0.000 0.407 257 I N 2.305 122.613 120.570 -0.437 0.000 2.322 257 I HA 0.153 4.326 4.170 0.004 0.000 0.292 257 I C 0.770 176.467 176.117 -0.700 0.000 1.060 257 I CA 0.265 61.138 61.300 -0.712 0.000 1.309 257 I CB -0.181 37.133 38.000 -1.143 0.000 1.415 257 I HN 0.470 nan 8.210 nan 0.000 0.492 258 G N 6.712 115.095 108.800 -0.695 0.000 2.504 258 G HA2 0.503 4.465 3.960 0.004 0.000 0.288 258 G HA3 0.503 4.465 3.960 0.004 0.000 0.288 258 G C -1.145 173.548 174.900 -0.346 0.000 1.182 258 G CA -0.263 44.552 45.100 -0.475 0.000 0.894 258 G HN 0.619 nan 8.290 nan 0.000 0.521 259 Y N -1.788 118.372 120.300 -0.233 0.000 2.571 259 Y HA 0.770 5.323 4.550 0.005 0.000 0.341 259 Y C -0.787 175.144 175.900 0.052 0.000 1.076 259 Y CA -1.652 56.469 58.100 0.035 0.000 1.029 259 Y CB 1.556 40.166 38.460 0.252 0.000 1.308 259 Y HN 0.489 nan 8.280 nan 0.000 0.461 260 M N 2.895 122.647 119.600 0.254 0.000 2.572 260 M HA 0.626 5.108 4.480 0.004 0.000 0.299 260 M C -1.066 175.420 176.300 0.311 0.000 1.205 260 M CA -0.879 54.552 55.300 0.218 0.000 0.876 260 M CB 2.921 35.749 32.600 0.380 0.000 1.728 260 M HN 0.862 nan 8.290 nan 0.000 0.458 261 T N -1.692 112.981 114.554 0.199 0.000 2.912 261 T HA 0.798 5.151 4.350 0.004 0.000 0.288 261 T C -0.612 174.124 174.700 0.061 0.000 1.030 261 T CA -0.811 61.322 62.100 0.056 0.000 1.020 261 T CB 2.025 70.726 68.868 -0.278 0.000 1.056 261 T HN 0.686 nan 8.240 nan 0.000 0.480 262 S N -0.223 115.409 115.700 -0.113 0.000 2.579 262 S HA 0.515 4.987 4.470 0.004 0.000 0.272 262 S C 0.546 175.093 174.600 -0.088 0.000 1.141 262 S CA -0.712 57.291 58.200 -0.328 0.000 0.843 262 S CB 1.634 64.201 63.200 -1.055 0.000 1.122 262 S HN 0.685 nan 8.310 nan 0.000 0.468 263 S N 1.292 116.949 115.700 -0.072 0.000 2.593 263 S HA 0.287 4.760 4.470 0.004 0.000 0.217 263 S C 0.141 174.830 174.600 0.148 0.000 0.966 263 S CA -0.041 58.198 58.200 0.064 0.000 0.914 263 S CB 0.038 63.243 63.200 0.009 0.000 0.776 263 S HN 0.528 nan 8.310 nan 0.000 0.523 264 S N 1.467 117.101 115.700 -0.109 0.000 2.570 264 S HA 0.394 4.866 4.470 0.004 0.000 0.286 264 S C -2.211 171.895 174.600 -0.823 0.000 1.099 264 S CA -1.227 56.758 58.200 -0.358 0.000 0.913 264 S CB 2.034 65.075 63.200 -0.265 0.000 1.085 264 S HN -0.049 nan 8.310 nan 0.000 0.480 265 P HA 0.024 nan 4.420 nan 0.000 0.223 265 P C 0.529 177.585 177.300 -0.406 0.000 1.151 265 P CA 1.180 63.636 63.100 -1.073 0.000 0.787 265 P CB 0.037 30.907 31.700 -1.385 0.000 0.788 266 M N -1.459 117.909 119.600 -0.387 0.000 2.383 266 M HA 0.324 4.806 4.480 0.004 0.000 0.247 266 M C 0.715 176.937 176.300 -0.130 0.000 1.117 266 M CA 0.156 55.374 55.300 -0.136 0.000 0.995 266 M CB 0.499 33.032 32.600 -0.111 0.000 1.480 266 M HN -0.039 nan 8.290 nan 0.000 0.485 267 G N 1.792 110.314 108.800 -0.463 0.000 2.549 267 G HA2 -0.108 3.855 3.960 0.004 0.000 0.404 267 G HA3 -0.108 3.855 3.960 0.004 0.000 0.404 267 G C -3.071 171.620 174.900 -0.350 0.000 1.292 267 G CA -1.245 43.495 45.100 -0.601 0.000 0.935 267 G HN 0.159 nan 8.290 nan 0.000 0.512 268 P HA 0.554 nan 4.420 nan 0.000 0.276 268 P C -0.753 176.387 177.300 -0.267 0.000 1.230 268 P CA -0.021 62.973 63.100 -0.177 0.000 0.776 268 P CB 0.477 32.128 31.700 -0.082 0.000 0.888 269 F N 0.773 120.714 119.950 -0.016 0.000 2.379 269 F HA 0.346 4.875 4.527 0.004 0.000 0.332 269 F C 1.195 177.013 175.800 0.030 0.000 1.096 269 F CA 0.307 58.316 58.000 0.015 0.000 1.105 269 F CB 1.261 40.286 39.000 0.041 0.000 1.189 269 F HN 0.135 nan 8.300 nan 0.000 0.515 270 T N 2.559 117.248 114.554 0.225 0.000 2.812 270 T HA 0.173 4.525 4.350 0.004 0.000 0.282 270 T C -1.112 173.690 174.700 0.170 0.000 0.990 270 T CA -0.482 61.713 62.100 0.157 0.000 0.960 270 T CB 0.389 69.298 68.868 0.069 0.000 0.948 270 T HN 0.355 nan 8.240 nan 0.000 0.438 271 Y N 3.708 124.053 120.300 0.076 0.000 2.717 271 Y HA 0.053 4.606 4.550 0.005 0.000 0.330 271 Y C 1.326 177.177 175.900 -0.082 0.000 1.217 271 Y CA 0.311 58.431 58.100 0.034 0.000 1.506 271 Y CB 0.486 38.993 38.460 0.078 0.000 1.268 271 Y HN 0.507 nan 8.280 nan 0.000 0.561 272 R N 3.297 123.280 120.500 -0.862 0.000 2.310 272 R HA 0.393 4.735 4.340 0.004 0.000 0.199 272 R C 0.542 176.287 176.300 -0.924 0.000 0.891 272 R CA 0.606 56.246 56.100 -0.767 0.000 1.060 272 R CB 0.626 30.460 30.300 -0.775 0.000 1.188 272 R HN 0.956 nan 8.270 nan 0.000 0.607 273 G N 0.190 108.071 108.800 -1.532 0.000 2.368 273 G HA2 0.125 4.088 3.960 0.004 0.000 0.269 273 G HA3 0.125 4.088 3.960 0.004 0.000 0.269 273 G C -1.887 172.762 174.900 -0.419 0.000 1.291 273 G CA -0.611 44.058 45.100 -0.719 0.000 0.903 273 G HN 0.392 nan 8.290 nan 0.000 0.483 274 H N -2.356 116.722 119.070 0.013 0.000 2.930 274 H HA 0.727 5.286 4.556 0.004 0.000 0.371 274 H C -0.288 175.090 175.328 0.084 0.000 1.169 274 H CA -0.786 55.257 56.048 -0.008 0.000 1.157 274 H CB 1.658 31.373 29.762 -0.079 0.000 1.789 274 H HN 1.105 nan 8.280 nan 0.000 0.547 275 F N 0.671 120.631 119.950 0.017 0.000 2.915 275 F HA 0.470 5.000 4.527 0.005 0.000 0.347 275 F C -1.452 174.286 175.800 -0.103 0.000 1.104 275 F CA -0.660 57.272 58.000 -0.113 0.000 1.126 275 F CB 0.563 39.401 39.000 -0.269 0.000 1.145 275 F HN 0.435 nan 8.300 nan 0.000 0.541 276 L N 2.183 123.303 121.223 -0.172 0.000 2.528 276 L HA 0.499 4.841 4.340 0.004 0.000 0.267 276 L C -0.552 176.289 176.870 -0.048 0.000 0.961 276 L CA -0.844 53.948 54.840 -0.079 0.000 0.866 276 L CB 1.740 43.680 42.059 -0.198 0.000 1.248 276 L HN 0.055 nan 8.230 nan 0.000 0.404 277 K N 2.786 123.247 120.400 0.103 0.000 2.187 277 K HA 0.224 4.547 4.320 0.004 0.000 0.247 277 K C 0.061 176.675 176.600 0.024 0.000 1.019 277 K CA -0.533 55.735 56.287 -0.031 0.000 0.893 277 K CB 0.331 32.660 32.500 -0.284 0.000 1.025 277 K HN 0.610 nan 8.250 nan 0.000 0.500 278 N N 1.873 120.542 118.700 -0.053 0.000 2.407 278 N HA -0.065 4.677 4.740 0.004 0.000 0.250 278 N C -1.863 173.727 175.510 0.132 0.000 1.236 278 N CA -0.617 52.467 53.050 0.058 0.000 0.879 278 N CB 0.441 38.958 38.487 0.051 0.000 1.088 278 N HN 0.305 nan 8.380 nan 0.000 0.450 279 P HA -0.116 nan 4.420 nan 0.000 0.217 279 P C 1.152 178.644 177.300 0.321 0.000 1.148 279 P CA 1.198 64.563 63.100 0.442 0.000 0.828 279 P CB 0.064 32.026 31.700 0.437 0.000 0.783 280 G N -0.381 108.520 108.800 0.169 0.000 2.598 280 G HA2 -0.072 3.890 3.960 0.004 0.000 0.215 280 G HA3 -0.072 3.890 3.960 0.004 0.000 0.215 280 G C 1.557 176.423 174.900 -0.057 0.000 1.131 280 G CA 0.598 45.755 45.100 0.095 0.000 0.785 280 G HN 0.326 nan 8.290 nan 0.000 0.539 281 A N 0.127 122.813 122.820 -0.225 0.000 2.015 281 A HA 0.234 4.556 4.320 0.004 0.000 0.219 281 A C 1.856 179.073 177.584 -0.613 0.000 1.163 281 A CA 1.033 52.779 52.037 -0.485 0.000 0.646 281 A CB -0.288 18.253 19.000 -0.764 0.000 0.806 281 A HN 0.348 nan 8.150 nan 0.000 0.448 282 F N -3.594 116.154 119.950 -0.336 0.000 2.637 282 F HA 0.312 4.842 4.527 0.005 0.000 0.284 282 F C 1.198 176.587 175.800 -0.685 0.000 1.105 282 F CA 0.096 57.683 58.000 -0.688 0.000 1.356 282 F CB 0.248 38.450 39.000 -1.330 0.000 1.096 282 F HN 0.149 nan 8.300 nan 0.000 0.616 283 F N -0.472 119.624 119.950 0.242 0.000 2.831 283 F HA 0.438 4.967 4.527 0.003 0.000 0.334 283 F C 1.436 177.342 175.800 0.176 0.000 1.071 283 F CA -0.449 57.679 58.000 0.213 0.000 1.172 283 F CB -0.380 38.716 39.000 0.159 0.000 1.054 283 F HN -0.096 nan 8.300 nan 0.000 0.572 284 G N 1.377 110.323 108.800 0.243 0.000 2.290 284 G HA2 0.240 4.203 3.960 0.004 0.000 0.270 284 G HA3 0.240 4.203 3.960 0.004 0.000 0.270 284 G C 0.589 175.585 174.900 0.159 0.000 0.891 284 G CA 0.577 45.769 45.100 0.153 0.000 1.321 284 G HN 1.289 nan 8.290 nan 0.000 0.425 285 G N -0.583 108.311 108.800 0.158 0.000 3.322 285 G HA2 0.591 4.554 3.960 0.004 0.000 0.686 285 G HA3 0.591 4.554 3.960 0.004 0.000 0.686 285 G C 1.296 176.257 174.900 0.102 0.000 1.015 285 G CA 0.970 46.167 45.100 0.161 0.000 0.826 285 G HN 2.932 nan 8.290 nan 0.000 0.538 286 G N 0.223 109.076 108.800 0.088 0.000 3.414 286 G HA2 0.501 4.463 3.960 0.004 0.000 0.504 286 G HA3 0.501 4.463 3.960 0.004 0.000 0.504 286 G C 1.209 176.195 174.900 0.144 0.000 0.936 286 G CA 0.815 45.973 45.100 0.097 0.000 0.748 286 G HN 2.525 nan 8.290 nan 0.000 0.408 287 G N 2.596 111.489 108.800 0.154 0.000 2.861 287 G HA2 0.552 4.514 3.960 0.004 0.000 0.160 287 G HA3 0.552 4.514 3.960 0.004 0.000 0.160 287 G C 0.286 175.320 174.900 0.223 0.000 1.570 287 G CA 0.574 45.744 45.100 0.117 0.000 0.925 287 G HN 1.575 nan 8.290 nan 0.000 0.754 288 N N 1.672 120.543 118.700 0.285 0.000 2.498 288 N HA 0.314 5.057 4.740 0.004 0.000 0.287 288 N C -0.882 174.945 175.510 0.528 0.000 1.097 288 N CA -0.647 52.682 53.050 0.464 0.000 0.973 288 N CB 0.946 39.721 38.487 0.481 0.000 1.153 288 N HN 0.082 nan 8.380 nan 0.000 0.472 289 N N 0.416 119.376 118.700 0.433 0.000 2.514 289 N HA 0.126 4.868 4.740 0.004 0.000 0.277 289 N C -1.291 174.311 175.510 0.153 0.000 1.126 289 N CA 0.081 53.291 53.050 0.266 0.000 0.978 289 N CB 0.137 38.718 38.487 0.157 0.000 1.106 289 N HN 0.722 nan 8.380 nan 0.000 0.461 290 H N 1.088 120.003 119.070 -0.257 0.000 2.865 290 H HA 0.360 4.918 4.556 0.004 0.000 0.362 290 H C -0.783 174.511 175.328 -0.056 0.000 1.114 290 H CA -0.609 55.293 56.048 -0.243 0.000 1.208 290 H CB 0.885 30.319 29.762 -0.547 0.000 1.727 290 H HN 0.680 nan 8.280 nan 0.000 0.534 291 H N 2.427 121.394 119.070 -0.173 0.000 3.017 291 H HA 0.811 5.369 4.556 0.004 0.000 0.346 291 H C -1.995 173.390 175.328 0.095 0.000 1.286 291 H CA -0.795 55.294 56.048 0.067 0.000 1.120 291 H CB 1.292 31.106 29.762 0.087 0.000 1.860 291 H HN 0.705 nan 8.280 nan 0.000 0.542 292 A N 1.629 124.468 122.820 0.031 0.000 2.488 292 A HA 0.515 4.838 4.320 0.004 0.000 0.295 292 A C -1.337 176.471 177.584 0.372 0.000 1.045 292 A CA -0.530 51.540 52.037 0.055 0.000 0.703 292 A CB 1.606 20.689 19.000 0.137 0.000 1.271 292 A HN 0.409 nan 8.150 nan 0.000 0.400 293 V N 2.700 122.808 119.914 0.324 0.000 2.481 293 V HA 0.769 4.891 4.120 0.004 0.000 0.286 293 V C -0.381 175.980 176.094 0.445 0.000 1.042 293 V CA -0.018 62.412 62.300 0.216 0.000 0.928 293 V CB 0.552 32.215 31.823 -0.268 0.000 0.986 293 V HN 0.998 nan 8.190 nan 0.000 0.462 294 F N 1.724 121.875 119.950 0.336 0.000 2.668 294 F HA 0.573 5.102 4.527 0.003 0.000 0.309 294 F C -0.929 174.973 175.800 0.170 0.000 1.117 294 F CA -1.075 57.121 58.000 0.328 0.000 0.951 294 F CB 1.867 41.040 39.000 0.289 0.000 1.323 294 F HN 0.360 nan 8.300 nan 0.000 0.451 295 N N 1.929 120.583 118.700 -0.078 0.000 2.417 295 N HA 0.383 5.125 4.740 0.004 0.000 0.274 295 N C -2.247 173.356 175.510 0.154 0.000 0.987 295 N CA -0.190 52.561 53.050 -0.499 0.000 0.912 295 N CB 1.557 39.257 38.487 -1.312 0.000 1.177 295 N HN 0.708 nan 8.380 nan 0.000 0.490 296 F N 3.607 123.653 119.950 0.161 0.000 2.518 296 F HA 0.365 4.895 4.527 0.005 0.000 0.323 296 F C 0.440 176.345 175.800 0.175 0.000 1.129 296 F CA -0.674 57.491 58.000 0.276 0.000 0.920 296 F CB 0.908 40.192 39.000 0.473 0.000 1.160 296 F HN 0.537 nan 8.300 nan 0.000 0.440 297 K N 5.547 125.566 120.400 -0.635 0.000 3.177 297 K HA -0.303 4.020 4.320 0.004 0.000 0.266 297 K C -0.039 176.416 176.600 -0.242 0.000 0.937 297 K CA 1.053 57.019 56.287 -0.535 0.000 0.702 297 K CB -1.246 30.791 32.500 -0.772 0.000 1.365 297 K HN 0.864 nan 8.250 nan 0.000 0.466 298 N N -0.848 117.733 118.700 -0.198 0.000 2.829 298 N HA -0.153 4.589 4.740 0.004 0.000 0.250 298 N C -0.806 174.582 175.510 -0.203 0.000 1.090 298 N CA 1.463 54.402 53.050 -0.184 0.000 0.781 298 N CB -0.484 37.931 38.487 -0.121 0.000 1.124 298 N HN 0.496 nan 8.380 nan 0.000 0.559 299 E N -0.634 119.420 120.200 -0.243 0.000 2.293 299 E HA 0.329 4.681 4.350 0.004 0.000 0.270 299 E C -0.254 175.975 176.600 -0.619 0.000 0.879 299 E CA -0.492 55.691 56.400 -0.360 0.000 0.756 299 E CB 0.817 30.312 29.700 -0.341 0.000 1.208 299 E HN 0.093 nan 8.360 nan 0.000 0.428 300 W N 1.718 122.733 121.300 -0.474 0.000 2.287 300 W HA 0.300 4.963 4.660 0.004 0.000 0.313 300 W C -0.204 175.801 176.519 -0.857 0.000 1.267 300 W CA -0.019 57.023 57.345 -0.506 0.000 1.201 300 W CB 0.463 29.737 29.460 -0.310 0.000 1.196 300 W HN 0.411 nan 8.180 nan 0.000 0.536 301 Y N 1.217 121.328 120.300 -0.316 0.000 2.638 301 Y HA 0.634 5.184 4.550 0.001 0.000 0.339 301 Y C -0.583 175.054 175.900 -0.439 0.000 1.084 301 Y CA -1.557 56.261 58.100 -0.470 0.000 1.068 301 Y CB 1.461 39.477 38.460 -0.741 0.000 1.294 301 Y HN 0.078 nan 8.280 nan 0.000 0.480 302 V N 2.199 122.151 119.914 0.064 0.000 2.588 302 V HA 0.682 4.804 4.120 0.004 0.000 0.304 302 V C -1.483 174.915 176.094 0.506 0.000 1.042 302 V CA -0.781 61.676 62.300 0.263 0.000 0.877 302 V CB 1.763 33.739 31.823 0.254 0.000 0.996 302 V HN 0.626 nan 8.190 nan 0.000 0.425 303 V N 8.711 128.999 119.914 0.622 0.000 2.481 303 V HA 0.777 4.900 4.120 0.004 0.000 0.286 303 V C -0.712 175.630 176.094 0.414 0.000 1.042 303 V CA 0.110 62.682 62.300 0.454 0.000 0.928 303 V CB 1.358 33.386 31.823 0.341 0.000 0.986 303 V HN 1.055 nan 8.190 nan 0.000 0.462 304 Y N 3.898 124.312 120.300 0.190 0.000 2.744 304 Y HA 0.703 5.255 4.550 0.003 0.000 0.330 304 Y C -0.627 175.343 175.900 0.117 0.000 1.263 304 Y CA -1.183 56.998 58.100 0.135 0.000 1.065 304 Y CB 1.201 39.747 38.460 0.144 0.000 1.306 304 Y HN 0.818 nan 8.280 nan 0.000 0.459 305 H N 0.801 119.954 119.070 0.138 0.000 2.731 305 H HA 1.006 5.565 4.556 0.004 0.000 0.368 305 H C -1.595 173.719 175.328 -0.023 0.000 1.168 305 H CA -1.120 54.894 56.048 -0.056 0.000 1.181 305 H CB 2.251 32.002 29.762 -0.018 0.000 1.743 305 H HN 1.113 nan 8.280 nan 0.000 0.547 306 A N 1.328 124.121 122.820 -0.045 0.000 2.609 306 A HA 0.216 4.539 4.320 0.004 0.000 0.291 306 A C -0.843 176.679 177.584 -0.103 0.000 1.096 306 A CA -0.959 51.019 52.037 -0.098 0.000 0.684 306 A CB 1.987 20.660 19.000 -0.544 0.000 1.282 306 A HN 0.813 nan 8.150 nan 0.000 0.412 307 Q N 1.075 120.873 119.800 -0.003 0.000 2.579 307 Q HA 0.121 4.464 4.340 0.004 0.000 0.344 307 Q C 0.669 176.715 176.000 0.076 0.000 0.997 307 Q CA 0.440 56.269 55.803 0.043 0.000 0.991 307 Q CB -0.175 28.616 28.738 0.088 0.000 1.279 307 Q HN 0.881 nan 8.270 nan 0.000 0.420 308 T N -4.540 110.031 114.554 0.027 0.000 3.067 308 T HA 0.011 4.364 4.350 0.004 0.000 0.257 308 T C 1.668 176.428 174.700 0.101 0.000 1.105 308 T CA 0.233 62.388 62.100 0.092 0.000 1.104 308 T CB 0.156 69.074 68.868 0.083 0.000 0.925 308 T HN 0.118 nan 8.240 nan 0.000 0.498 309 V N 2.475 122.426 119.914 0.061 0.000 2.374 309 V HA -0.074 4.048 4.120 0.004 0.000 0.241 309 V C 3.102 179.183 176.094 -0.022 0.000 1.034 309 V CA 1.646 63.961 62.300 0.025 0.000 1.037 309 V CB -0.577 31.260 31.823 0.024 0.000 0.682 309 V HN 0.674 nan 8.190 nan 0.000 0.463 310 S N -0.149 115.587 115.700 0.061 0.000 2.383 310 S HA -0.222 4.250 4.470 0.004 0.000 0.229 310 S C 2.086 176.681 174.600 -0.010 0.000 1.030 310 S CA 1.811 60.029 58.200 0.030 0.000 1.002 310 S CB -0.667 62.814 63.200 0.469 0.000 0.829 310 S HN 0.433 nan 8.310 nan 0.000 0.467 311 S N 2.271 118.032 115.700 0.101 0.000 2.359 311 S HA 0.003 4.475 4.470 0.004 0.000 0.224 311 S C 2.327 176.960 174.600 0.055 0.000 1.035 311 S CA 1.238 59.511 58.200 0.123 0.000 1.018 311 S CB -0.839 62.457 63.200 0.160 0.000 0.876 311 S HN 0.797 nan 8.310 nan 0.000 0.448 312 A N 0.780 123.608 122.820 0.013 0.000 1.969 312 A HA 0.072 4.394 4.320 0.004 0.000 0.218 312 A C 2.070 179.598 177.584 -0.094 0.000 1.169 312 A CA 0.972 53.007 52.037 -0.004 0.000 0.635 312 A CB -0.512 18.498 19.000 0.016 0.000 0.810 312 A HN 0.467 nan 8.150 nan 0.000 0.445 313 L N -2.350 118.703 121.223 -0.283 0.000 2.095 313 L HA -0.028 4.314 4.340 0.004 0.000 0.204 313 L C 1.840 178.501 176.870 -0.348 0.000 1.080 313 L CA 0.997 55.548 54.840 -0.482 0.000 0.759 313 L CB -0.261 41.194 42.059 -1.006 0.000 0.914 313 L HN 0.408 nan 8.230 nan 0.000 0.439 314 F N -1.194 118.774 119.950 0.029 0.000 2.727 314 F HA 0.375 4.905 4.527 0.005 0.000 0.302 314 F C 1.775 177.604 175.800 0.048 0.000 1.107 314 F CA 0.103 58.121 58.000 0.030 0.000 1.277 314 F CB -0.391 38.634 39.000 0.041 0.000 1.079 314 F HN 0.070 nan 8.300 nan 0.000 0.594 315 G N 0.601 109.517 108.800 0.193 0.000 2.159 315 G HA2 0.045 4.007 3.960 0.004 0.000 0.256 315 G HA3 0.045 4.007 3.960 0.004 0.000 0.256 315 G C 0.138 175.136 174.900 0.164 0.000 0.977 315 G CA 0.117 45.308 45.100 0.151 0.000 0.652 315 G HN 0.852 nan 8.290 nan 0.000 0.531 316 A N -1.598 121.355 122.820 0.222 0.000 2.594 316 A HA 0.849 5.171 4.320 0.004 0.000 0.295 316 A C 1.078 178.820 177.584 0.263 0.000 1.071 316 A CA 0.506 52.661 52.037 0.197 0.000 0.685 316 A CB 0.627 19.717 19.000 0.151 0.000 1.285 316 A HN 1.527 nan 8.150 nan 0.000 0.405 317 G N 0.149 109.071 108.800 0.205 0.000 2.402 317 G HA2 0.050 4.013 3.960 0.004 0.000 0.216 317 G HA3 0.050 4.013 3.960 0.004 0.000 0.216 317 G C 0.649 175.709 174.900 0.266 0.000 1.162 317 G CA 0.823 46.056 45.100 0.221 0.000 0.777 317 G HN 1.144 nan 8.290 nan 0.000 0.539 318 K N -1.161 119.329 120.400 0.149 0.000 3.088 318 K HA -0.211 4.112 4.320 0.004 0.000 0.273 318 K C 1.232 177.696 176.600 -0.226 0.000 1.111 318 K CA 0.423 56.734 56.287 0.040 0.000 0.803 318 K CB -1.790 30.817 32.500 0.179 0.000 1.226 318 K HN 1.227 nan 8.250 nan 0.000 0.485 319 G N -1.014 107.682 108.800 -0.172 0.000 2.159 319 G HA2 -0.343 3.619 3.960 0.004 0.000 0.256 319 G HA3 -0.343 3.619 3.960 0.004 0.000 0.256 319 G C -0.295 174.397 174.900 -0.347 0.000 0.977 319 G CA 0.501 45.436 45.100 -0.275 0.000 0.652 319 G HN 0.314 nan 8.290 nan 0.000 0.531 320 Y N 0.449 120.757 120.300 0.014 0.000 2.326 320 Y HA 0.735 5.287 4.550 0.004 0.000 0.337 320 Y C 1.000 176.854 175.900 -0.075 0.000 1.023 320 Y CA -0.684 57.399 58.100 -0.028 0.000 1.143 320 Y CB 1.076 39.562 38.460 0.043 0.000 1.183 320 Y HN 0.175 nan 8.280 nan 0.000 0.485 321 R N 1.098 121.588 120.500 -0.016 0.000 2.778 321 R HA 0.799 5.142 4.340 0.004 0.000 0.277 321 R C -0.917 175.326 176.300 -0.094 0.000 0.977 321 R CA -0.802 55.200 56.100 -0.162 0.000 0.950 321 R CB 2.040 32.033 30.300 -0.510 0.000 1.165 321 R HN 0.549 nan 8.270 nan 0.000 0.474 322 S N 1.984 117.637 115.700 -0.079 0.000 2.548 322 S HA 0.553 5.025 4.470 0.004 0.000 0.286 322 S C -2.688 171.892 174.600 -0.034 0.000 1.098 322 S CA -1.375 56.794 58.200 -0.053 0.000 0.930 322 S CB 2.284 65.468 63.200 -0.026 0.000 1.070 322 S HN 0.415 nan 8.310 nan 0.000 0.480 323 P HA 0.353 nan 4.420 nan 0.000 0.278 323 P C -1.187 176.029 177.300 -0.140 0.000 1.238 323 P CA -0.185 62.828 63.100 -0.144 0.000 0.794 323 P CB 0.641 32.190 31.700 -0.252 0.000 0.955 324 H N 0.893 119.614 119.070 -0.583 0.000 2.895 324 H HA 0.559 5.118 4.556 0.005 0.000 0.373 324 H C -0.481 174.536 175.328 -0.518 0.000 1.174 324 H CA -0.887 54.764 56.048 -0.663 0.000 1.144 324 H CB 2.190 31.258 29.762 -1.156 0.000 1.793 324 H HN 0.274 nan 8.280 nan 0.000 0.551 325 I N 1.990 122.517 120.570 -0.072 0.000 2.545 325 I HA 0.217 4.389 4.170 0.004 0.000 0.292 325 I C -0.756 175.545 176.117 0.307 0.000 1.040 325 I CA -0.396 61.013 61.300 0.181 0.000 1.068 325 I CB 2.131 40.243 38.000 0.186 0.000 1.251 325 I HN 0.533 nan 8.210 nan 0.000 0.424 326 N N 3.156 122.111 118.700 0.426 0.000 2.405 326 N HA 0.415 5.158 4.740 0.004 0.000 0.285 326 N C -1.140 174.554 175.510 0.307 0.000 1.262 326 N CA -0.997 52.248 53.050 0.325 0.000 0.773 326 N CB 1.611 40.241 38.487 0.239 0.000 1.490 326 N HN 0.371 nan 8.380 nan 0.000 0.486 327 K N 0.768 121.301 120.400 0.223 0.000 2.319 327 K HA 0.400 4.722 4.320 0.004 0.000 0.265 327 K C -1.259 175.279 176.600 -0.104 0.000 1.000 327 K CA -0.059 56.245 56.287 0.028 0.000 0.943 327 K CB 0.359 32.845 32.500 -0.022 0.000 0.950 327 K HN 0.509 nan 8.250 nan 0.000 0.485 328 L N 3.818 124.897 121.223 -0.241 0.000 2.385 328 L HA 0.547 4.890 4.340 0.004 0.000 0.273 328 L C -1.607 174.999 176.870 -0.441 0.000 0.990 328 L CA -0.876 53.731 54.840 -0.389 0.000 0.821 328 L CB 1.959 43.697 42.059 -0.535 0.000 1.279 328 L HN 0.432 nan 8.230 nan 0.000 0.412 329 V N 3.484 123.097 119.914 -0.503 0.000 2.378 329 V HA 0.385 4.507 4.120 0.004 0.000 0.288 329 V C -0.729 174.992 176.094 -0.622 0.000 1.016 329 V CA -0.596 61.450 62.300 -0.425 0.000 0.840 329 V CB 1.306 32.984 31.823 -0.242 0.000 0.994 329 V HN 0.706 nan 8.190 nan 0.000 0.431 330 H N 3.084 121.799 119.070 -0.591 0.000 2.548 330 H HA 0.416 4.973 4.556 0.003 0.000 0.331 330 H C 0.327 175.452 175.328 -0.339 0.000 1.093 330 H CA -0.200 55.446 56.048 -0.670 0.000 1.367 330 H CB 0.641 29.593 29.762 -1.350 0.000 1.455 330 H HN 0.548 nan 8.280 nan 0.000 0.519 331 N N 0.622 119.255 118.700 -0.111 0.000 2.413 331 N HA 0.154 4.896 4.740 0.004 0.000 0.266 331 N C 1.054 176.587 175.510 0.037 0.000 1.238 331 N CA 0.077 53.107 53.050 -0.032 0.000 0.972 331 N CB 0.925 39.398 38.487 -0.024 0.000 1.210 331 N HN 0.723 nan 8.380 nan 0.000 0.547 332 A N 0.184 123.031 122.820 0.046 0.000 2.019 332 A HA -0.182 4.140 4.320 0.004 0.000 0.219 332 A C 1.203 178.836 177.584 0.081 0.000 1.164 332 A CA 1.829 53.907 52.037 0.069 0.000 0.644 332 A CB -0.441 18.587 19.000 0.046 0.000 0.805 332 A HN 0.768 nan 8.150 nan 0.000 0.449 333 D N -2.354 118.087 120.400 0.068 0.000 2.349 333 D HA 0.261 4.904 4.640 0.004 0.000 0.224 333 D C 1.182 177.550 176.300 0.112 0.000 1.029 333 D CA 1.023 55.067 54.000 0.074 0.000 0.879 333 D CB -0.456 40.376 40.800 0.052 0.000 0.906 333 D HN 0.765 nan 8.370 nan 0.000 0.528 334 G N 0.125 109.016 108.800 0.152 0.000 2.194 334 G HA2 -0.281 3.681 3.960 0.004 0.000 0.236 334 G HA3 -0.281 3.681 3.960 0.004 0.000 0.236 334 G C 0.448 175.512 174.900 0.273 0.000 0.987 334 G CA 0.374 45.625 45.100 0.251 0.000 0.635 334 G HN 0.825 nan 8.290 nan 0.000 0.520 335 S N -0.129 115.673 115.700 0.169 0.000 2.600 335 S HA 0.713 5.185 4.470 0.004 0.000 0.265 335 S C 0.220 174.807 174.600 -0.021 0.000 1.325 335 S CA -0.306 58.006 58.200 0.188 0.000 1.002 335 S CB 1.559 64.834 63.200 0.125 0.000 0.921 335 S HN 0.663 nan 8.310 nan 0.000 0.554 336 I N 1.443 121.941 120.570 -0.119 0.000 2.433 336 I HA 0.267 4.439 4.170 0.004 0.000 0.292 336 I C 0.258 176.216 176.117 -0.265 0.000 1.001 336 I CA -0.679 60.341 61.300 -0.466 0.000 1.119 336 I CB 1.781 39.199 38.000 -0.970 0.000 1.289 336 I HN 0.678 nan 8.210 nan 0.000 0.438 337 Q N 4.763 124.396 119.800 -0.278 0.000 2.392 337 Q HA 0.144 4.486 4.340 0.004 0.000 0.262 337 Q C -0.380 175.549 176.000 -0.119 0.000 1.003 337 Q CA -0.504 55.203 55.803 -0.161 0.000 0.888 337 Q CB 0.813 29.462 28.738 -0.149 0.000 1.260 337 Q HN 0.401 nan 8.270 nan 0.000 0.435 338 E N 1.358 121.530 120.200 -0.046 0.000 2.558 338 E HA -0.039 4.314 4.350 0.004 0.000 0.255 338 E C -0.566 176.032 176.600 -0.004 0.000 0.968 338 E CA 0.195 56.605 56.400 0.016 0.000 0.939 338 E CB 0.507 30.230 29.700 0.039 0.000 0.921 338 E HN 0.270 nan 8.360 nan 0.000 0.477 339 V N 2.548 122.471 119.914 0.016 0.000 2.572 339 V HA 0.088 4.210 4.120 0.004 0.000 0.291 339 V C 0.643 176.691 176.094 -0.077 0.000 1.039 339 V CA -0.035 62.231 62.300 -0.057 0.000 1.055 339 V CB 1.143 32.924 31.823 -0.071 0.000 0.969 339 V HN 0.701 nan 8.190 nan 0.000 0.482 340 A N 5.308 128.076 122.820 -0.086 0.000 2.923 340 A HA 0.683 5.005 4.320 0.004 0.000 0.306 340 A C 0.690 178.132 177.584 -0.237 0.000 1.542 340 A CA -0.094 51.889 52.037 -0.091 0.000 1.225 340 A CB -0.376 18.623 19.000 -0.002 0.000 1.147 340 A HN 1.155 nan 8.150 nan 0.000 0.542 341 A N 3.119 125.511 122.820 -0.714 0.000 2.477 341 A HA 0.555 4.877 4.320 0.004 0.000 0.246 341 A C 0.399 177.750 177.584 -0.389 0.000 1.078 341 A CA 0.136 51.749 52.037 -0.707 0.000 0.770 341 A CB -0.040 18.058 19.000 -1.503 0.000 1.011 341 A HN 1.174 nan 8.150 nan 0.000 0.494 342 N N 0.172 118.973 118.700 0.169 0.000 3.308 342 N HA 0.213 4.956 4.740 0.004 0.000 0.276 342 N C -0.418 175.288 175.510 0.327 0.000 1.533 342 N CA -0.533 52.671 53.050 0.257 0.000 0.878 342 N CB 0.035 38.628 38.487 0.176 0.000 1.566 342 N HN 0.223 nan 8.380 nan 0.000 0.546 343 Y N -0.456 120.083 120.300 0.399 0.000 2.347 343 Y HA 0.394 4.946 4.550 0.003 0.000 0.294 343 Y C 2.474 178.467 175.900 0.155 0.000 1.117 343 Y CA 1.453 59.687 58.100 0.223 0.000 1.184 343 Y CB -0.523 38.072 38.460 0.226 0.000 1.047 343 Y HN 0.745 nan 8.280 nan 0.000 0.546 344 A N 0.538 123.554 122.820 0.327 0.000 1.917 344 A HA 0.074 4.397 4.320 0.004 0.000 0.219 344 A C 2.040 179.751 177.584 0.211 0.000 1.182 344 A CA 1.825 54.009 52.037 0.244 0.000 0.633 344 A CB -1.430 17.691 19.000 0.201 0.000 0.819 344 A HN 0.602 nan 8.150 nan 0.000 0.448 345 G N -2.450 106.465 108.800 0.191 0.000 2.569 345 G HA2 -0.157 3.805 3.960 0.004 0.000 0.259 345 G HA3 -0.157 3.805 3.960 0.004 0.000 0.259 345 G C -0.059 174.949 174.900 0.181 0.000 1.263 345 G CA -0.035 45.167 45.100 0.171 0.000 0.928 345 G HN 1.149 nan 8.290 nan 0.000 0.572 346 V N 1.328 121.349 119.914 0.179 0.000 2.407 346 V HA 0.498 4.621 4.120 0.004 0.000 0.278 346 V C 1.063 177.256 176.094 0.165 0.000 1.037 346 V CA 0.201 62.615 62.300 0.191 0.000 0.900 346 V CB 1.212 33.150 31.823 0.192 0.000 0.983 346 V HN 0.918 nan 8.190 nan 0.000 0.459 347 T N 4.908 119.557 114.554 0.160 0.000 2.928 347 T HA 0.044 4.397 4.350 0.004 0.000 0.305 347 T C 0.277 175.046 174.700 0.115 0.000 1.035 347 T CA 0.248 62.431 62.100 0.139 0.000 1.145 347 T CB 0.261 69.201 68.868 0.120 0.000 0.963 347 T HN 0.795 nan 8.240 nan 0.000 0.545 348 Q N 2.328 122.188 119.800 0.100 0.000 2.304 348 Q HA -0.044 4.299 4.340 0.004 0.000 0.315 348 Q C 0.615 176.644 176.000 0.048 0.000 1.075 348 Q CA -0.080 55.755 55.803 0.053 0.000 0.988 348 Q CB 0.263 29.029 28.738 0.047 0.000 1.146 348 Q HN 0.524 nan 8.270 nan 0.000 0.383 349 I N 1.510 122.100 120.570 0.033 0.000 2.867 349 I HA -0.000 4.172 4.170 0.004 0.000 0.265 349 I C 0.683 176.804 176.117 0.007 0.000 1.162 349 I CA 0.922 62.245 61.300 0.039 0.000 1.471 349 I CB -0.659 37.380 38.000 0.065 0.000 1.123 349 I HN 0.645 nan 8.210 nan 0.000 0.440 350 S N 0.180 115.873 115.700 -0.011 0.000 2.550 350 S HA 0.478 4.951 4.470 0.004 0.000 0.270 350 S C -0.591 173.989 174.600 -0.033 0.000 1.145 350 S CA -0.958 57.228 58.200 -0.023 0.000 0.852 350 S CB 2.117 65.296 63.200 -0.034 0.000 1.119 350 S HN 0.049 nan 8.310 nan 0.000 0.465 351 N N 0.596 119.278 118.700 -0.031 0.000 2.415 351 N HA 0.339 5.082 4.740 0.004 0.000 0.248 351 N C -0.611 174.865 175.510 -0.055 0.000 1.271 351 N CA -0.392 52.634 53.050 -0.041 0.000 0.913 351 N CB 0.257 38.720 38.487 -0.041 0.000 1.129 351 N HN 0.702 nan 8.380 nan 0.000 0.444 352 L N 1.398 122.582 121.223 -0.065 0.000 2.307 352 L HA 0.346 4.688 4.340 0.004 0.000 0.282 352 L C -0.098 176.719 176.870 -0.088 0.000 1.051 352 L CA -0.518 54.283 54.840 -0.065 0.000 0.804 352 L CB 0.733 42.774 42.059 -0.030 0.000 1.197 352 L HN 0.396 nan 8.230 nan 0.000 0.431 353 N N 6.122 124.780 118.700 -0.069 0.000 2.420 353 N HA 0.345 5.088 4.740 0.004 0.000 0.249 353 N C -2.073 173.390 175.510 -0.079 0.000 1.033 353 N CA -2.037 50.973 53.050 -0.068 0.000 0.944 353 N CB 1.299 39.790 38.487 0.006 0.000 1.113 353 N HN 0.472 nan 8.380 nan 0.000 0.502 354 P HA 0.037 nan 4.420 nan 0.000 0.249 354 P C 0.031 177.377 177.300 0.077 0.000 1.229 354 P CA 0.511 63.592 63.100 -0.031 0.000 0.788 354 P CB 0.050 31.432 31.700 -0.530 0.000 1.072 355 Y N -0.041 120.409 120.300 0.249 0.000 2.462 355 Y HA 0.186 4.737 4.550 0.001 0.000 0.261 355 Y C 1.037 177.027 175.900 0.150 0.000 1.146 355 Y CA -0.547 57.704 58.100 0.252 0.000 1.283 355 Y CB -0.838 37.732 38.460 0.184 0.000 1.090 355 Y HN -0.006 nan 8.280 nan 0.000 0.526 356 N N 0.622 119.422 118.700 0.168 0.000 2.434 356 N HA 0.182 4.924 4.740 0.004 0.000 0.266 356 N C -0.136 175.356 175.510 -0.030 0.000 1.223 356 N CA -0.918 52.160 53.050 0.046 0.000 0.972 356 N CB 0.568 39.041 38.487 -0.023 0.000 1.207 356 N HN 0.033 nan 8.380 nan 0.000 0.525 357 R N 0.993 121.426 120.500 -0.112 0.000 2.480 357 R HA 0.072 4.415 4.340 0.004 0.000 0.303 357 R C -1.327 174.767 176.300 -0.344 0.000 0.985 357 R CA 0.088 56.046 56.100 -0.237 0.000 1.051 357 R CB -0.048 30.023 30.300 -0.381 0.000 0.935 357 R HN 0.260 nan 8.270 nan 0.000 0.410 358 V N 4.969 124.537 119.914 -0.576 0.000 2.448 358 V HA 0.171 4.294 4.120 0.004 0.000 0.295 358 V C -0.305 175.340 176.094 -0.748 0.000 1.025 358 V CA -0.957 60.864 62.300 -0.798 0.000 0.859 358 V CB 1.604 32.567 31.823 -1.433 0.000 0.988 358 V HN 0.799 nan 8.190 nan 0.000 0.431 359 E N 2.554 122.494 120.200 -0.432 0.000 2.452 359 E HA 0.098 4.451 4.350 0.004 0.000 0.261 359 E C 1.230 177.651 176.600 -0.299 0.000 0.987 359 E CA 0.488 56.720 56.400 -0.281 0.000 0.926 359 E CB 1.104 30.685 29.700 -0.197 0.000 0.934 359 E HN 0.773 nan 8.360 nan 0.000 0.452 360 A N 3.905 126.550 122.820 -0.292 0.000 2.019 360 A HA -0.192 4.130 4.320 0.004 0.000 0.219 360 A C 1.485 179.100 177.584 0.052 0.000 1.164 360 A CA 1.530 53.365 52.037 -0.338 0.000 0.644 360 A CB -0.310 18.065 19.000 -1.041 0.000 0.805 360 A HN 0.613 nan 8.150 nan 0.000 0.449 361 E N 0.184 120.410 120.200 0.042 0.000 2.463 361 E HA -0.006 4.346 4.350 0.004 0.000 0.191 361 E C -0.640 175.904 176.600 -0.093 0.000 1.083 361 E CA 0.379 56.860 56.400 0.135 0.000 0.872 361 E CB -0.631 29.087 29.700 0.031 0.000 0.966 361 E HN 0.276 nan 8.360 nan 0.000 0.491 362 T N 2.571 117.099 114.554 -0.043 0.000 2.811 362 T HA 0.449 4.802 4.350 0.004 0.000 0.309 362 T C -0.707 174.051 174.700 0.095 0.000 1.005 362 T CA -0.550 61.468 62.100 -0.137 0.000 0.955 362 T CB -0.466 68.303 68.868 -0.165 0.000 0.970 362 T HN 0.246 nan 8.240 nan 0.000 0.496 363 F N -0.188 119.746 119.950 -0.026 0.000 2.686 363 F HA 0.807 5.336 4.527 0.003 0.000 0.311 363 F C 0.332 176.043 175.800 -0.149 0.000 1.128 363 F CA -1.562 56.433 58.000 -0.009 0.000 0.946 363 F CB 0.760 39.798 39.000 0.063 0.000 1.336 363 F HN 0.306 nan 8.300 nan 0.000 0.457 364 A N -0.118 122.655 122.820 -0.078 0.000 1.993 364 A HA 0.413 4.735 4.320 0.004 0.000 0.207 364 A C -0.297 176.855 177.584 -0.721 0.000 1.224 364 A CA 0.291 51.934 52.037 -0.658 0.000 0.749 364 A CB 0.104 18.259 19.000 -1.407 0.000 0.884 364 A HN 0.658 nan 8.150 nan 0.000 0.467 365 W N -0.379 121.133 121.300 0.354 0.000 3.033 365 W HA 0.518 5.177 4.660 -0.001 0.000 0.336 365 W C -1.057 175.554 176.519 0.153 0.000 1.173 365 W CA -0.605 56.934 57.345 0.324 0.000 1.185 365 W CB 1.001 30.704 29.460 0.405 0.000 1.425 365 W HN 0.499 nan 8.180 nan 0.000 0.536 366 N N -0.363 118.329 118.700 -0.013 0.000 2.598 366 N HA 0.715 5.458 4.740 0.004 0.000 0.263 366 N C -1.215 173.675 175.510 -1.033 0.000 1.254 366 N CA -0.768 51.822 53.050 -0.767 0.000 0.863 366 N CB 2.161 40.233 38.487 -0.691 0.000 1.586 366 N HN 0.536 nan 8.380 nan 0.000 0.491 367 G N 0.820 108.663 108.800 -1.596 0.000 2.575 367 G HA2 0.532 4.494 3.960 0.004 0.000 0.279 367 G HA3 0.532 4.494 3.960 0.004 0.000 0.279 367 G C -1.379 173.130 174.900 -0.651 0.000 1.460 367 G CA -0.669 43.896 45.100 -0.891 0.000 1.214 367 G HN 0.519 nan 8.290 nan 0.000 0.582 368 R N 1.713 122.032 120.500 -0.300 0.000 2.502 368 R HA 0.596 4.938 4.340 0.004 0.000 0.300 368 R C -0.546 175.672 176.300 -0.137 0.000 0.984 368 R CA -0.688 55.286 56.100 -0.211 0.000 0.882 368 R CB 2.020 32.261 30.300 -0.099 0.000 1.180 368 R HN 0.598 nan 8.270 nan 0.000 0.444 369 I N -0.403 120.087 120.570 -0.132 0.000 3.294 369 I HA 0.651 4.823 4.170 0.004 0.000 0.311 369 I C -0.953 175.186 176.117 0.037 0.000 1.111 369 I CA -1.140 60.115 61.300 -0.074 0.000 0.976 369 I CB 1.028 38.956 38.000 -0.120 0.000 1.260 369 I HN 0.366 nan 8.210 nan 0.000 0.474 370 L N 0.287 121.555 121.223 0.076 0.000 2.309 370 L HA 0.825 5.167 4.340 0.004 0.000 0.261 370 L C -0.473 176.531 176.870 0.222 0.000 1.021 370 L CA -0.687 54.272 54.840 0.198 0.000 0.823 370 L CB 2.379 44.522 42.059 0.139 0.000 1.366 370 L HN 0.911 nan 8.230 nan 0.000 0.423 371 T N -1.829 112.918 114.554 0.321 0.000 2.885 371 T HA 0.738 5.090 4.350 0.004 0.000 0.285 371 T C -0.764 173.994 174.700 0.097 0.000 1.019 371 T CA -0.717 61.522 62.100 0.231 0.000 1.010 371 T CB 2.242 71.282 68.868 0.287 0.000 1.022 371 T HN 0.790 nan 8.240 nan 0.000 0.466 372 E N 0.818 121.026 120.200 0.014 0.000 2.454 372 E HA 0.427 4.779 4.350 0.004 0.000 0.279 372 E C -1.162 175.293 176.600 -0.241 0.000 1.029 372 E CA -1.346 54.997 56.400 -0.094 0.000 0.831 372 E CB 1.474 31.153 29.700 -0.034 0.000 1.405 372 E HN 0.631 nan 8.360 nan 0.000 0.463 373 K N 0.836 121.120 120.400 -0.193 0.000 2.401 373 K HA 0.127 4.450 4.320 0.004 0.000 0.278 373 K C -0.601 175.801 176.600 -0.330 0.000 1.018 373 K CA 0.024 56.191 56.287 -0.199 0.000 0.981 373 K CB 1.034 33.474 32.500 -0.100 0.000 0.933 373 K HN 0.456 nan 8.250 nan 0.000 0.477 374 S N 1.461 116.971 115.700 -0.317 0.000 2.565 374 S HA 0.136 4.608 4.470 0.004 0.000 0.290 374 S C 0.858 175.431 174.600 -0.044 0.000 1.150 374 S CA -0.629 57.412 58.200 -0.265 0.000 1.058 374 S CB 1.199 64.276 63.200 -0.204 0.000 1.032 374 S HN 0.731 nan 8.310 nan 0.000 0.510 375 T N 1.451 116.108 114.554 0.171 0.000 3.129 375 T HA 0.351 4.703 4.350 0.004 0.000 0.251 375 T C 0.655 175.337 174.700 -0.030 0.000 1.117 375 T CA 0.154 62.354 62.100 0.167 0.000 1.034 375 T CB -0.302 68.782 68.868 0.361 0.000 0.968 375 T HN 0.720 nan 8.240 nan 0.000 0.526 376 A N 3.218 125.729 122.820 -0.515 0.000 2.520 376 A HA 0.489 4.812 4.320 0.004 0.000 0.245 376 A C -2.035 175.301 177.584 -0.412 0.000 1.072 376 A CA -1.234 50.158 52.037 -1.075 0.000 0.761 376 A CB -0.318 17.782 19.000 -1.501 0.000 1.004 376 A HN 0.283 nan 8.150 nan 0.000 0.499 377 P HA 0.350 nan 4.420 nan 0.000 0.267 377 P C 1.066 178.303 177.300 -0.106 0.000 1.200 377 P CA 1.542 64.581 63.100 -0.102 0.000 0.772 377 P CB 0.431 32.117 31.700 -0.024 0.000 0.855 378 G N 1.027 109.778 108.800 -0.081 0.000 2.552 378 G HA2 0.267 4.230 3.960 0.004 0.000 0.265 378 G HA3 0.267 4.230 3.960 0.004 0.000 0.265 378 G C 0.169 175.005 174.900 -0.108 0.000 1.234 378 G CA 0.241 45.291 45.100 -0.084 0.000 0.944 378 G HN 1.254 nan 8.290 nan 0.000 0.568 379 G N -1.432 107.294 108.800 -0.124 0.000 2.746 379 G HA2 0.381 4.343 3.960 0.004 0.000 0.685 379 G HA3 0.381 4.343 3.960 0.004 0.000 0.685 379 G C -1.406 173.428 174.900 -0.110 0.000 1.350 379 G CA 0.639 45.659 45.100 -0.133 0.000 0.837 379 G HN 1.540 nan 8.290 nan 0.000 0.564 380 P HA 0.440 nan 4.420 nan 0.000 0.274 380 P C 0.602 177.867 177.300 -0.057 0.000 1.260 380 P CA -0.410 62.648 63.100 -0.069 0.000 0.793 380 P CB 0.372 32.051 31.700 -0.036 0.000 1.048 381 V N 1.691 121.569 119.914 -0.060 0.000 2.644 381 V HA -0.117 4.005 4.120 0.004 0.000 0.305 381 V C 1.326 177.406 176.094 -0.024 0.000 1.053 381 V CA 1.073 63.335 62.300 -0.064 0.000 1.186 381 V CB -1.332 30.426 31.823 -0.109 0.000 0.895 381 V HN 0.834 nan 8.190 nan 0.000 0.490 382 N N 2.289 120.974 118.700 -0.024 0.000 2.741 382 N HA -0.210 4.532 4.740 0.004 0.000 0.250 382 N C 0.199 175.700 175.510 -0.014 0.000 1.115 382 N CA 1.009 54.057 53.050 -0.004 0.000 0.724 382 N CB -1.441 37.069 38.487 0.038 0.000 1.090 382 N HN 0.933 nan 8.380 nan 0.000 0.558 383 N N 0.950 119.625 118.700 -0.041 0.000 2.219 383 N HA -0.103 4.639 4.740 0.004 0.000 0.263 383 N C -0.187 175.263 175.510 -0.100 0.000 1.269 383 N CA 0.926 53.934 53.050 -0.069 0.000 0.831 383 N CB 0.438 38.865 38.487 -0.100 0.000 1.059 383 N HN 0.208 nan 8.380 nan 0.000 0.475 384 Q N 1.660 121.402 119.800 -0.096 0.000 2.333 384 Q HA 0.398 4.740 4.340 0.004 0.000 0.266 384 Q C -0.334 175.620 176.000 -0.077 0.000 1.053 384 Q CA -0.610 55.115 55.803 -0.129 0.000 0.890 384 Q CB 1.712 30.407 28.738 -0.072 0.000 1.337 384 Q HN 0.901 nan 8.270 nan 0.000 0.474 385 H N -3.239 115.852 119.070 0.035 0.000 2.985 385 H HA 0.603 5.162 4.556 0.004 0.000 0.360 385 H C -0.988 174.399 175.328 0.098 0.000 1.221 385 H CA -1.062 55.031 56.048 0.077 0.000 1.121 385 H CB 0.990 30.875 29.762 0.205 0.000 1.854 385 H HN 0.227 nan 8.280 nan 0.000 0.551 386 V N 1.628 121.726 119.914 0.307 0.000 2.498 386 V HA 0.259 4.381 4.120 0.004 0.000 0.279 386 V C 0.529 176.707 176.094 0.140 0.000 1.048 386 V CA 0.254 62.667 62.300 0.189 0.000 0.967 386 V CB 0.968 32.847 31.823 0.094 0.000 0.988 386 V HN 0.919 nan 8.190 nan 0.000 0.473 387 T N 2.213 116.829 114.554 0.104 0.000 2.696 387 T HA 0.447 4.799 4.350 0.004 0.000 0.291 387 T C 0.261 174.935 174.700 -0.043 0.000 1.095 387 T CA 0.333 62.439 62.100 0.009 0.000 1.026 387 T CB 1.699 70.652 68.868 0.141 0.000 1.390 387 T HN 1.064 nan 8.240 nan 0.000 0.513 388 S N 0.319 115.979 115.700 -0.066 0.000 3.614 388 S HA -0.137 4.335 4.470 0.004 0.000 0.360 388 S C -0.042 174.481 174.600 -0.127 0.000 1.023 388 S CA 0.419 58.575 58.200 -0.073 0.000 1.114 388 S CB -1.926 61.264 63.200 -0.017 0.000 0.907 388 S HN 0.491 nan 8.310 nan 0.000 0.470 389 I N 2.044 122.468 120.570 -0.244 0.000 2.312 389 I HA 0.315 4.487 4.170 0.004 0.000 0.291 389 I C 0.465 176.418 176.117 -0.272 0.000 1.031 389 I CA -0.336 60.760 61.300 -0.339 0.000 1.293 389 I CB 1.209 38.727 38.000 -0.804 0.000 1.403 389 I HN 0.345 nan 8.210 nan 0.000 0.484 390 Q N 4.066 123.794 119.800 -0.120 0.000 2.359 390 Q HA 0.316 4.658 4.340 0.004 0.000 0.275 390 Q C -0.261 175.743 176.000 0.006 0.000 1.082 390 Q CA -0.969 54.791 55.803 -0.071 0.000 0.849 390 Q CB 1.076 29.791 28.738 -0.038 0.000 1.377 390 Q HN 0.442 nan 8.270 nan 0.000 0.452 391 N N 0.366 119.078 118.700 0.019 0.000 2.223 391 N HA 0.086 4.829 4.740 0.004 0.000 0.271 391 N C 0.675 176.236 175.510 0.084 0.000 1.315 391 N CA 2.066 55.154 53.050 0.064 0.000 0.835 391 N CB 0.067 38.581 38.487 0.044 0.000 1.066 391 N HN 0.764 nan 8.380 nan 0.000 0.486 392 G N 2.208 111.082 108.800 0.123 0.000 2.213 392 G HA2 -0.244 3.718 3.960 0.004 0.000 0.236 392 G HA3 -0.244 3.718 3.960 0.004 0.000 0.236 392 G C -0.115 174.911 174.900 0.209 0.000 0.991 392 G CA 0.156 45.340 45.100 0.139 0.000 0.629 392 G HN 0.657 nan 8.290 nan 0.000 0.517 393 D N 0.515 121.028 120.400 0.189 0.000 2.360 393 D HA 0.573 5.216 4.640 0.004 0.000 0.242 393 D C 0.854 177.262 176.300 0.181 0.000 1.184 393 D CA 0.939 55.030 54.000 0.153 0.000 0.930 393 D CB 0.409 41.308 40.800 0.166 0.000 1.161 393 D HN 0.635 nan 8.370 nan 0.000 0.447 394 W N 0.302 121.596 121.300 -0.010 0.000 3.146 394 W HA 0.521 5.184 4.660 0.004 0.000 0.319 394 W C -1.493 174.984 176.519 -0.069 0.000 1.258 394 W CA -0.970 56.204 57.345 -0.286 0.000 1.189 394 W CB 0.062 29.461 29.460 -0.101 0.000 1.412 394 W HN 0.281 nan 8.180 nan 0.000 0.567 395 I N 0.378 121.061 120.570 0.188 0.000 2.892 395 I HA 0.993 5.165 4.170 0.004 0.000 0.306 395 I C -0.873 175.460 176.117 0.360 0.000 1.078 395 I CA -1.142 60.258 61.300 0.167 0.000 1.032 395 I CB 1.981 39.977 38.000 -0.005 0.000 1.229 395 I HN 0.642 nan 8.210 nan 0.000 0.435 396 A N 3.284 126.260 122.820 0.260 0.000 2.515 396 A HA 0.758 5.081 4.320 0.004 0.000 0.298 396 A C -0.811 176.846 177.584 0.123 0.000 1.059 396 A CA -0.571 51.408 52.037 -0.097 0.000 0.698 396 A CB 1.757 20.209 19.000 -0.913 0.000 1.289 396 A HN 1.057 nan 8.150 nan 0.000 0.404 397 V N -0.239 119.716 119.914 0.069 0.000 2.630 397 V HA 0.923 5.045 4.120 0.004 0.000 0.305 397 V C 0.558 176.712 176.094 0.101 0.000 1.046 397 V CA -0.152 62.221 62.300 0.120 0.000 0.934 397 V CB 1.300 33.303 31.823 0.300 0.000 1.003 397 V HN 1.463 nan 8.190 nan 0.000 0.451 398 G N 1.404 110.210 108.800 0.009 0.000 2.372 398 G HA2 0.422 4.385 3.960 0.004 0.000 0.283 398 G HA3 0.422 4.385 3.960 0.004 0.000 0.283 398 G C 0.011 174.963 174.900 0.086 0.000 1.177 398 G CA -0.555 44.632 45.100 0.145 0.000 0.842 398 G HN 1.064 nan 8.290 nan 0.000 0.503 399 N N -0.953 117.817 118.700 0.117 0.000 2.678 399 N HA -0.164 4.579 4.740 0.004 0.000 0.268 399 N C 0.488 175.983 175.510 -0.025 0.000 1.010 399 N CA 0.832 53.908 53.050 0.043 0.000 0.784 399 N CB -0.941 37.565 38.487 0.031 0.000 0.905 399 N HN 1.008 nan 8.380 nan 0.000 0.552 400 A N 0.298 123.082 122.820 -0.061 0.000 2.401 400 A HA 0.319 4.641 4.320 0.004 0.000 0.259 400 A C 0.361 177.738 177.584 -0.345 0.000 1.103 400 A CA -0.254 51.636 52.037 -0.245 0.000 0.789 400 A CB 0.485 19.244 19.000 -0.402 0.000 1.035 400 A HN 0.280 nan 8.150 nan 0.000 0.491 401 D N 2.090 122.286 120.400 -0.340 0.000 2.454 401 D HA 0.413 5.055 4.640 0.004 0.000 0.225 401 D C -0.114 176.041 176.300 -0.241 0.000 1.081 401 D CA -0.409 53.474 54.000 -0.195 0.000 0.864 401 D CB -0.021 40.738 40.800 -0.069 0.000 1.040 401 D HN 0.313 nan 8.370 nan 0.000 0.517 402 F N 2.483 122.436 119.950 0.006 0.000 2.661 402 F HA 0.250 4.777 4.527 0.001 0.000 0.298 402 F C 1.914 177.859 175.800 0.241 0.000 1.137 402 F CA 0.893 58.932 58.000 0.067 0.000 1.454 402 F CB -0.298 38.707 39.000 0.009 0.000 1.103 402 F HN 0.595 nan 8.300 nan 0.000 0.577 403 G N 0.124 109.091 108.800 0.278 0.000 2.829 403 G HA2 -0.054 3.908 3.960 0.004 0.000 0.628 403 G HA3 -0.054 3.908 3.960 0.004 0.000 0.628 403 G C 0.813 175.820 174.900 0.177 0.000 1.412 403 G CA -0.462 44.758 45.100 0.200 0.000 0.864 403 G HN 0.472 nan 8.290 nan 0.000 0.544 404 A N -0.286 122.603 122.820 0.115 0.000 1.969 404 A HA 0.317 4.639 4.320 0.004 0.000 0.218 404 A C 2.778 180.414 177.584 0.088 0.000 1.169 404 A CA 2.429 54.520 52.037 0.090 0.000 0.635 404 A CB -0.731 18.305 19.000 0.059 0.000 0.810 404 A HN 2.312 nan 8.150 nan 0.000 0.445 405 G N -1.032 107.821 108.800 0.089 0.000 2.421 405 G HA2 0.370 4.332 3.960 0.004 0.000 0.217 405 G HA3 0.370 4.332 3.960 0.004 0.000 0.217 405 G C 1.130 176.093 174.900 0.104 0.000 1.143 405 G CA 0.711 45.856 45.100 0.074 0.000 0.784 405 G HN 1.693 nan 8.290 nan 0.000 0.541 406 G N -0.985 107.926 108.800 0.184 0.000 2.782 406 G HA2 0.361 4.323 3.960 0.004 0.000 0.228 406 G HA3 0.361 4.323 3.960 0.004 0.000 0.228 406 G C -0.006 175.071 174.900 0.294 0.000 1.372 406 G CA -0.195 45.047 45.100 0.238 0.000 0.862 406 G HN 1.399 nan 8.290 nan 0.000 0.547 407 A N -0.622 122.363 122.820 0.276 0.000 2.306 407 A HA 0.853 5.176 4.320 0.004 0.000 0.330 407 A C 1.184 178.931 177.584 0.271 0.000 1.146 407 A CA 0.736 53.027 52.037 0.423 0.000 0.827 407 A CB 1.500 20.833 19.000 0.554 0.000 1.178 407 A HN 1.347 nan 8.150 nan 0.000 0.490 408 R N 0.254 120.935 120.500 0.302 0.000 2.123 408 R HA 0.152 4.494 4.340 0.004 0.000 0.209 408 R C 0.516 176.957 176.300 0.235 0.000 1.078 408 R CA 1.391 57.616 56.100 0.209 0.000 1.028 408 R CB 0.095 30.492 30.300 0.162 0.000 0.939 408 R HN 0.882 nan 8.270 nan 0.000 0.463 409 S N -1.694 114.204 115.700 0.331 0.000 2.688 409 S HA 0.482 4.955 4.470 0.004 0.000 0.275 409 S C -1.398 173.439 174.600 0.396 0.000 1.175 409 S CA -0.939 57.441 58.200 0.300 0.000 0.818 409 S CB 1.585 64.902 63.200 0.195 0.000 1.157 409 S HN 0.115 nan 8.310 nan 0.000 0.482 410 F N 1.022 120.999 119.950 0.044 0.000 2.562 410 F HA 0.681 5.211 4.527 0.004 0.000 0.319 410 F C -0.973 174.778 175.800 -0.081 0.000 1.154 410 F CA -0.537 57.349 58.000 -0.190 0.000 0.931 410 F CB 1.616 40.419 39.000 -0.329 0.000 1.198 410 F HN 0.736 nan 8.300 nan 0.000 0.444 411 K N 4.668 124.694 120.400 -0.623 0.000 2.207 411 K HA 0.905 5.228 4.320 0.004 0.000 0.255 411 K C -1.305 174.847 176.600 -0.748 0.000 0.941 411 K CA -1.134 54.865 56.287 -0.479 0.000 0.825 411 K CB 2.092 34.513 32.500 -0.132 0.000 1.119 411 K HN 0.644 nan 8.250 nan 0.000 0.430 412 A N 2.152 124.665 122.820 -0.511 0.000 2.398 412 A HA 0.377 4.699 4.320 0.004 0.000 0.301 412 A C -1.350 176.063 177.584 -0.286 0.000 1.041 412 A CA -0.770 51.064 52.037 -0.339 0.000 0.711 412 A CB 1.133 19.913 19.000 -0.367 0.000 1.240 412 A HN 0.688 nan 8.150 nan 0.000 0.420 413 N N 1.071 119.524 118.700 -0.412 0.000 2.414 413 N HA 0.532 5.274 4.740 0.004 0.000 0.256 413 N C -0.549 175.064 175.510 0.171 0.000 1.029 413 N CA 0.090 52.953 53.050 -0.311 0.000 0.948 413 N CB 1.170 39.143 38.487 -0.856 0.000 1.102 413 N HN 0.884 nan 8.380 nan 0.000 0.496 414 V N 0.330 120.349 119.914 0.176 0.000 3.078 414 V HA 1.005 5.127 4.120 0.004 0.000 0.311 414 V C -0.716 175.192 176.094 -0.311 0.000 1.138 414 V CA -1.281 61.036 62.300 0.029 0.000 1.007 414 V CB 1.337 33.002 31.823 -0.262 0.000 1.045 414 V HN 0.667 nan 8.190 nan 0.000 0.432 415 A N 1.653 124.026 122.820 -0.744 0.000 2.374 415 A HA 0.923 5.245 4.320 0.004 0.000 0.305 415 A C -0.481 176.821 177.584 -0.471 0.000 1.053 415 A CA -0.295 51.190 52.037 -0.922 0.000 0.726 415 A CB 1.778 19.681 19.000 -1.829 0.000 1.229 415 A HN 1.579 nan 8.150 nan 0.000 0.431 416 S N 0.876 116.388 115.700 -0.313 0.000 2.566 416 S HA 0.483 4.956 4.470 0.004 0.000 0.273 416 S C 0.821 175.342 174.600 -0.130 0.000 1.157 416 S CA 0.104 58.211 58.200 -0.156 0.000 0.938 416 S CB 1.432 64.582 63.200 -0.083 0.000 1.087 416 S HN 0.710 nan 8.310 nan 0.000 0.474 417 T N 4.436 118.932 114.554 -0.097 0.000 2.668 417 T HA 0.049 4.401 4.350 0.004 0.000 0.262 417 T C 1.426 176.094 174.700 -0.053 0.000 1.045 417 T CA 1.291 63.346 62.100 -0.073 0.000 1.152 417 T CB -0.196 68.636 68.868 -0.060 0.000 0.864 417 T HN 0.575 nan 8.240 nan 0.000 0.419 418 L N -0.267 120.935 121.223 -0.035 0.000 2.638 418 L HA 0.402 4.744 4.340 0.004 0.000 0.232 418 L C 1.174 178.037 176.870 -0.011 0.000 1.099 418 L CA -0.146 54.681 54.840 -0.022 0.000 0.883 418 L CB 0.080 42.130 42.059 -0.014 0.000 1.136 418 L HN 0.519 nan 8.230 nan 0.000 0.492 419 G N -0.468 108.331 108.800 -0.001 0.000 2.712 419 G HA2 0.226 4.188 3.960 0.004 0.000 0.683 419 G HA3 0.226 4.188 3.960 0.004 0.000 0.683 419 G C -0.279 174.667 174.900 0.077 0.000 1.320 419 G CA -0.549 44.549 45.100 -0.004 0.000 0.847 419 G HN 0.549 nan 8.290 nan 0.000 0.553 420 G N -0.986 107.840 108.800 0.042 0.000 2.335 420 G HA2 0.685 4.648 3.960 0.004 0.000 0.291 420 G HA3 0.685 4.648 3.960 0.004 0.000 0.291 420 G C -1.382 173.536 174.900 0.030 0.000 1.261 420 G CA 0.075 45.263 45.100 0.146 0.000 0.871 420 G HN 0.914 nan 8.290 nan 0.000 0.491 421 K N -0.544 119.937 120.400 0.136 0.000 2.426 421 K HA 0.648 4.970 4.320 0.004 0.000 0.251 421 K C -1.161 175.531 176.600 0.153 0.000 0.941 421 K CA -0.726 55.589 56.287 0.047 0.000 0.808 421 K CB 2.787 35.325 32.500 0.063 0.000 1.265 421 K HN 0.356 nan 8.250 nan 0.000 0.432 422 I N 2.410 123.010 120.570 0.051 0.000 2.354 422 I HA 0.187 4.359 4.170 0.004 0.000 0.286 422 I C -0.260 175.904 176.117 0.079 0.000 1.007 422 I CA -0.527 60.874 61.300 0.167 0.000 1.167 422 I CB 1.419 39.480 38.000 0.101 0.000 1.320 422 I HN 0.416 nan 8.210 nan 0.000 0.458 423 E N 5.217 125.454 120.200 0.061 0.000 2.313 423 E HA 0.311 4.663 4.350 0.004 0.000 0.276 423 E C -0.859 175.707 176.600 -0.057 0.000 1.031 423 E CA -0.518 55.872 56.400 -0.016 0.000 0.857 423 E CB 1.958 31.639 29.700 -0.032 0.000 1.040 423 E HN 0.291 nan 8.360 nan 0.000 0.408 424 V N 4.749 124.582 119.914 -0.136 0.000 2.333 424 V HA 0.323 4.445 4.120 0.004 0.000 0.274 424 V C 0.060 176.034 176.094 -0.200 0.000 1.028 424 V CA -0.499 61.667 62.300 -0.224 0.000 0.851 424 V CB 0.505 32.129 31.823 -0.331 0.000 1.000 424 V HN 0.583 nan 8.190 nan 0.000 0.456 425 R N 4.419 124.793 120.500 -0.210 0.000 2.740 425 R HA 0.745 5.087 4.340 0.004 0.000 0.282 425 R C -1.196 175.015 176.300 -0.149 0.000 0.969 425 R CA -0.868 55.121 56.100 -0.183 0.000 0.918 425 R CB 2.304 32.487 30.300 -0.195 0.000 1.175 425 R HN 0.541 nan 8.270 nan 0.000 0.464 426 L N 2.350 123.463 121.223 -0.184 0.000 2.343 426 L HA 0.276 4.618 4.340 0.004 0.000 0.275 426 L C 0.238 177.063 176.870 -0.075 0.000 1.056 426 L CA -0.288 54.466 54.840 -0.144 0.000 0.804 426 L CB 1.017 42.837 42.059 -0.398 0.000 1.203 426 L HN 0.777 nan 8.230 nan 0.000 0.440 427 D N -0.365 120.093 120.400 0.096 0.000 2.593 427 D HA -0.200 4.442 4.640 0.004 0.000 0.176 427 D C 0.267 176.503 176.300 -0.108 0.000 1.580 427 D CA 1.888 55.933 54.000 0.075 0.000 1.831 427 D CB -0.698 40.112 40.800 0.017 0.000 1.384 427 D HN 0.724 nan 8.370 nan 0.000 0.479 428 S N -1.488 113.882 115.700 -0.551 0.000 2.588 428 S HA 0.734 5.206 4.470 0.004 0.000 0.269 428 S C 0.642 174.211 174.600 -1.719 0.000 1.157 428 S CA -0.077 57.375 58.200 -1.246 0.000 0.824 428 S CB 1.877 64.686 63.200 -0.652 0.000 1.126 428 S HN 0.362 nan 8.310 nan 0.000 0.464 429 A N 0.573 122.243 122.820 -1.917 0.000 2.121 429 A HA 0.046 4.368 4.320 0.004 0.000 0.218 429 A C 1.189 178.382 177.584 -0.650 0.000 1.154 429 A CA 1.653 52.931 52.037 -1.265 0.000 0.679 429 A CB -0.869 17.398 19.000 -1.220 0.000 0.795 429 A HN 0.912 nan 8.150 nan 0.000 0.458 430 D N -1.139 118.928 120.400 -0.555 0.000 2.463 430 D HA 0.291 4.933 4.640 0.004 0.000 0.224 430 D C 0.727 176.846 176.300 -0.302 0.000 1.174 430 D CA 0.356 54.150 54.000 -0.344 0.000 0.829 430 D CB -0.607 40.032 40.800 -0.269 0.000 0.993 430 D HN 0.199 nan 8.370 nan 0.000 0.497 431 G N 0.099 108.683 108.800 -0.359 0.000 2.543 431 G HA2 0.186 4.149 3.960 0.004 0.000 0.290 431 G HA3 0.186 4.149 3.960 0.004 0.000 0.290 431 G C -0.307 174.463 174.900 -0.216 0.000 1.310 431 G CA -0.989 43.944 45.100 -0.279 0.000 1.025 431 G HN 0.205 nan 8.290 nan 0.000 0.502 432 K N -0.410 119.876 120.400 -0.190 0.000 2.473 432 K HA -0.039 4.283 4.320 0.004 0.000 0.277 432 K C -0.373 176.120 176.600 -0.179 0.000 1.052 432 K CA -0.263 55.920 56.287 -0.173 0.000 1.114 432 K CB -0.008 32.382 32.500 -0.183 0.000 0.869 432 K HN 0.223 nan 8.250 nan 0.000 0.481 433 L N 6.719 127.853 121.223 -0.148 0.000 2.315 433 L HA 0.064 4.406 4.340 0.004 0.000 0.283 433 L C 0.621 177.413 176.870 -0.129 0.000 1.089 433 L CA 0.189 54.948 54.840 -0.135 0.000 0.833 433 L CB 1.384 43.380 42.059 -0.106 0.000 1.170 433 L HN 0.577 nan 8.230 nan 0.000 0.442 434 V N 1.982 121.811 119.914 -0.142 0.000 3.643 434 V HA 0.751 4.874 4.120 0.004 0.000 0.280 434 V C 0.634 176.685 176.094 -0.072 0.000 1.351 434 V CA 0.533 62.755 62.300 -0.130 0.000 1.073 434 V CB -0.437 31.265 31.823 -0.203 0.000 0.863 434 V HN 0.892 nan 8.190 nan 0.000 0.436 435 G N -0.969 107.788 108.800 -0.071 0.000 2.411 435 G HA2 0.511 4.474 3.960 0.004 0.000 0.295 435 G HA3 0.511 4.474 3.960 0.004 0.000 0.295 435 G C -1.222 173.650 174.900 -0.047 0.000 1.542 435 G CA -0.028 45.051 45.100 -0.035 0.000 0.814 435 G HN 0.090 nan 8.290 nan 0.000 0.557 436 T N 0.835 115.381 114.554 -0.013 0.000 2.937 436 T HA 0.534 4.887 4.350 0.004 0.000 0.297 436 T C -0.655 174.056 174.700 0.018 0.000 0.991 436 T CA -0.365 61.731 62.100 -0.007 0.000 0.990 436 T CB 1.544 70.406 68.868 -0.011 0.000 0.991 436 T HN 0.629 nan 8.240 nan 0.000 0.440 437 L N 4.180 125.422 121.223 0.031 0.000 2.282 437 L HA 0.521 4.863 4.340 0.004 0.000 0.288 437 L C -0.399 176.436 176.870 -0.059 0.000 1.033 437 L CA -0.653 54.200 54.840 0.023 0.000 0.807 437 L CB 0.639 42.759 42.059 0.101 0.000 1.209 437 L HN 0.501 nan 8.230 nan 0.000 0.423 438 N N 4.865 123.523 118.700 -0.070 0.000 2.414 438 N HA 0.158 4.900 4.740 0.004 0.000 0.256 438 N C -0.656 174.755 175.510 -0.166 0.000 1.029 438 N CA -0.197 52.794 53.050 -0.098 0.000 0.948 438 N CB 2.021 40.472 38.487 -0.061 0.000 1.102 438 N HN 0.437 nan 8.380 nan 0.000 0.496 439 V N 3.384 123.143 119.914 -0.259 0.000 2.385 439 V HA 0.459 4.582 4.120 0.004 0.000 0.269 439 V C -2.149 173.818 176.094 -0.211 0.000 1.043 439 V CA -1.543 60.553 62.300 -0.341 0.000 0.906 439 V CB 1.090 32.483 31.823 -0.716 0.000 0.995 439 V HN 0.462 nan 8.190 nan 0.000 0.467 440 P HA 0.284 nan 4.420 nan 0.000 0.277 440 P C -0.299 176.935 177.300 -0.110 0.000 1.271 440 P CA -0.266 62.767 63.100 -0.112 0.000 0.795 440 P CB 0.786 32.430 31.700 -0.092 0.000 1.101 441 S N -1.101 114.551 115.700 -0.080 0.000 2.533 441 S HA 0.163 4.636 4.470 0.004 0.000 0.282 441 S C 1.078 175.625 174.600 -0.089 0.000 1.304 441 S CA 0.192 58.345 58.200 -0.078 0.000 1.063 441 S CB -0.526 62.640 63.200 -0.056 0.000 0.881 441 S HN 0.667 nan 8.310 nan 0.000 0.493 442 T N -1.432 113.054 114.554 -0.113 0.000 2.985 442 T HA 0.549 4.902 4.350 0.004 0.000 0.254 442 T C 1.291 175.934 174.700 -0.096 0.000 1.021 442 T CA 0.364 62.395 62.100 -0.115 0.000 0.957 442 T CB 0.163 68.927 68.868 -0.173 0.000 1.047 442 T HN 1.471 nan 8.240 nan 0.000 0.511 443 G N -0.194 108.549 108.800 -0.094 0.000 2.738 443 G HA2 0.394 4.357 3.960 0.004 0.000 0.195 443 G HA3 0.394 4.357 3.960 0.004 0.000 0.195 443 G C 0.589 175.439 174.900 -0.084 0.000 1.001 443 G CA 0.017 45.073 45.100 -0.073 0.000 0.759 443 G HN 1.611 nan 8.290 nan 0.000 0.494 444 G N -1.134 107.592 108.800 -0.124 0.000 2.359 444 G HA2 0.492 4.455 3.960 0.004 0.000 0.303 444 G HA3 0.492 4.455 3.960 0.004 0.000 0.303 444 G C 0.714 175.490 174.900 -0.207 0.000 1.293 444 G CA 1.005 46.028 45.100 -0.129 0.000 0.964 444 G HN 1.669 nan 8.290 nan 0.000 0.531 445 A N -0.946 121.769 122.820 -0.174 0.000 2.216 445 A HA 0.236 4.559 4.320 0.004 0.000 0.214 445 A C 1.630 179.060 177.584 -0.257 0.000 1.160 445 A CA 2.224 54.126 52.037 -0.224 0.000 0.725 445 A CB -0.257 18.673 19.000 -0.116 0.000 0.784 445 A HN 0.598 nan 8.150 nan 0.000 0.472 446 Q N -1.004 118.682 119.800 -0.191 0.000 2.127 446 Q HA 0.113 4.456 4.340 0.004 0.000 0.222 446 Q C -0.848 175.132 176.000 -0.032 0.000 0.794 446 Q CA 0.015 55.822 55.803 0.008 0.000 1.010 446 Q CB 1.033 29.837 28.738 0.110 0.000 1.170 446 Q HN 0.401 nan 8.270 nan 0.000 0.479 447 T N 0.679 115.049 114.554 -0.307 0.000 2.786 447 T HA 0.399 4.752 4.350 0.004 0.000 0.283 447 T C -1.180 173.314 174.700 -0.343 0.000 0.992 447 T CA -0.397 61.603 62.100 -0.167 0.000 0.954 447 T CB 0.609 69.419 68.868 -0.098 0.000 0.934 447 T HN 0.091 nan 8.240 nan 0.000 0.440 448 W N 3.468 124.765 121.300 -0.004 0.000 2.573 448 W HA 0.641 5.304 4.660 0.004 0.000 0.326 448 W C 0.376 176.878 176.519 -0.029 0.000 1.049 448 W CA -1.037 56.298 57.345 -0.017 0.000 1.220 448 W CB 1.231 30.695 29.460 0.005 0.000 1.373 448 W HN 0.518 nan 8.180 nan 0.000 0.507 449 R N 1.114 121.696 120.500 0.137 0.000 2.725 449 R HA 0.523 4.866 4.340 0.004 0.000 0.277 449 R C -1.102 175.216 176.300 0.030 0.000 0.987 449 R CA -1.144 54.999 56.100 0.072 0.000 0.901 449 R CB 2.240 32.543 30.300 0.004 0.000 1.207 449 R HN 0.487 nan 8.270 nan 0.000 0.463 450 E N 2.946 123.153 120.200 0.012 0.000 2.167 450 E HA 0.224 4.576 4.350 0.004 0.000 0.284 450 E C -0.623 175.942 176.600 -0.060 0.000 1.016 450 E CA -0.666 55.706 56.400 -0.047 0.000 0.817 450 E CB 0.828 30.536 29.700 0.013 0.000 1.080 450 E HN 0.347 nan 8.360 nan 0.000 0.397 451 I N 3.627 124.129 120.570 -0.112 0.000 2.441 451 I HA 0.306 4.479 4.170 0.004 0.000 0.295 451 I C 0.069 176.120 176.117 -0.111 0.000 0.994 451 I CA -0.579 60.658 61.300 -0.104 0.000 1.144 451 I CB 1.467 39.387 38.000 -0.134 0.000 1.314 451 I HN 0.655 nan 8.210 nan 0.000 0.445 452 E N 2.866 123.031 120.200 -0.058 0.000 2.195 452 E HA 0.630 4.983 4.350 0.004 0.000 0.271 452 E C -1.200 175.405 176.600 0.009 0.000 0.923 452 E CA -0.299 56.084 56.400 -0.029 0.000 0.790 452 E CB 2.054 31.756 29.700 0.004 0.000 1.155 452 E HN 0.650 nan 8.360 nan 0.000 0.402 453 T N 1.259 115.848 114.554 0.057 0.000 2.843 453 T HA 0.633 4.985 4.350 0.004 0.000 0.302 453 T C -1.275 173.496 174.700 0.119 0.000 1.232 453 T CA -0.231 61.917 62.100 0.081 0.000 1.009 453 T CB 1.287 70.207 68.868 0.087 0.000 1.254 453 T HN 0.576 nan 8.240 nan 0.000 0.504 454 A N 1.733 124.608 122.820 0.093 0.000 2.386 454 A HA 0.682 5.004 4.320 0.004 0.000 0.248 454 A C -0.469 177.183 177.584 0.113 0.000 1.082 454 A CA -0.250 51.846 52.037 0.099 0.000 0.789 454 A CB 0.287 19.325 19.000 0.064 0.000 1.025 454 A HN 0.698 nan 8.150 nan 0.000 0.490 455 V N 0.966 120.960 119.914 0.132 0.000 2.789 455 V HA 0.723 4.846 4.120 0.004 0.000 0.311 455 V C -0.112 176.018 176.094 0.060 0.000 1.073 455 V CA -0.116 62.253 62.300 0.115 0.000 0.921 455 V CB 2.206 34.176 31.823 0.244 0.000 1.009 455 V HN 1.173 nan 8.190 nan 0.000 0.426 456 S N 2.347 118.046 115.700 -0.002 0.000 2.548 456 S HA 0.682 5.154 4.470 0.004 0.000 0.276 456 S C 0.357 174.905 174.600 -0.086 0.000 1.129 456 S CA 0.610 58.793 58.200 -0.028 0.000 0.931 456 S CB 1.603 64.793 63.200 -0.017 0.000 1.068 456 S HN 2.367 nan 8.310 nan 0.000 0.480 457 G N 1.869 110.613 108.800 -0.095 0.000 2.141 457 G HA2 -0.005 3.958 3.960 0.004 0.000 0.242 457 G HA3 -0.005 3.958 3.960 0.004 0.000 0.242 457 G C 0.234 174.991 174.900 -0.238 0.000 0.982 457 G CA 0.012 45.033 45.100 -0.132 0.000 0.662 457 G HN 1.623 nan 8.290 nan 0.000 0.527 458 A N 0.927 123.551 122.820 -0.326 0.000 2.478 458 A HA 0.793 5.116 4.320 0.004 0.000 0.327 458 A C 0.579 177.919 177.584 -0.406 0.000 1.431 458 A CA 0.883 52.512 52.037 -0.681 0.000 1.014 458 A CB 0.187 18.467 19.000 -1.200 0.000 1.143 458 A HN 1.721 nan 8.150 nan 0.000 0.532 459 T N -0.950 113.548 114.554 -0.092 0.000 2.883 459 T HA 0.838 5.191 4.350 0.004 0.000 0.301 459 T C 0.334 175.235 174.700 0.336 0.000 1.158 459 T CA 0.017 62.217 62.100 0.166 0.000 1.007 459 T CB 1.266 70.197 68.868 0.105 0.000 1.186 459 T HN 2.369 nan 8.240 nan 0.000 0.499 460 G N 0.188 109.150 108.800 0.270 0.000 2.642 460 G HA2 -0.007 3.955 3.960 0.004 0.000 0.231 460 G HA3 -0.007 3.955 3.960 0.004 0.000 0.231 460 G C -0.781 174.189 174.900 0.117 0.000 1.338 460 G CA -0.414 44.770 45.100 0.140 0.000 0.883 460 G HN 1.564 nan 8.290 nan 0.000 0.570 461 V N 1.644 121.473 119.914 -0.141 0.000 2.370 461 V HA 0.702 4.825 4.120 0.004 0.000 0.283 461 V C 0.011 175.882 176.094 -0.371 0.000 1.023 461 V CA -0.217 61.998 62.300 -0.143 0.000 0.857 461 V CB 1.219 32.980 31.823 -0.103 0.000 0.985 461 V HN 0.869 nan 8.190 nan 0.000 0.443 462 H N 1.939 121.071 119.070 0.102 0.000 2.930 462 H HA 0.438 5.002 4.556 0.014 0.000 0.371 462 H C -0.508 174.885 175.328 0.108 0.000 1.169 462 H CA -0.969 55.147 56.048 0.114 0.000 1.157 462 H CB 1.553 31.405 29.762 0.150 0.000 1.789 462 H HN 0.502 nan 8.280 nan 0.000 0.547 463 K N 1.383 121.937 120.400 0.256 0.000 2.485 463 K HA 0.225 4.547 4.320 0.004 0.000 0.277 463 K C -0.635 176.087 176.600 0.203 0.000 0.990 463 K CA 0.056 56.490 56.287 0.244 0.000 0.994 463 K CB 0.597 33.293 32.500 0.326 0.000 0.906 463 K HN 0.141 nan 8.250 nan 0.000 0.488 464 V N 4.655 124.581 119.914 0.020 0.000 2.487 464 V HA 0.341 4.463 4.120 0.004 0.000 0.298 464 V C -0.746 175.069 176.094 -0.465 0.000 1.028 464 V CA -0.778 61.426 62.300 -0.160 0.000 0.860 464 V CB 0.847 32.518 31.823 -0.253 0.000 0.991 464 V HN 0.516 nan 8.190 nan 0.000 0.427 465 F N 4.280 123.947 119.950 -0.472 0.000 2.436 465 F HA 0.626 5.154 4.527 0.002 0.000 0.340 465 F C -0.298 175.133 175.800 -0.615 0.000 1.113 465 F CA -0.438 57.312 58.000 -0.417 0.000 1.022 465 F CB 1.478 40.279 39.000 -0.332 0.000 1.128 465 F HN 0.338 nan 8.300 nan 0.000 0.466 466 F N 3.433 123.397 119.950 0.024 0.000 2.332 466 F HA 0.471 5.001 4.527 0.005 0.000 0.368 466 F C -0.339 175.184 175.800 -0.462 0.000 1.110 466 F CA -1.108 56.819 58.000 -0.121 0.000 1.087 466 F CB 0.842 39.908 39.000 0.109 0.000 1.235 466 F HN -0.018 nan 8.300 nan 0.000 0.470 467 V N 4.619 124.411 119.914 -0.203 0.000 2.394 467 V HA 0.369 4.492 4.120 0.004 0.000 0.282 467 V C -0.402 175.599 176.094 -0.155 0.000 1.031 467 V CA -0.801 61.355 62.300 -0.241 0.000 0.881 467 V CB 0.861 32.648 31.823 -0.060 0.000 0.982 467 V HN 0.321 nan 8.190 nan 0.000 0.451 468 F N 2.961 123.051 119.950 0.233 0.000 2.415 468 F HA 0.707 5.236 4.527 0.005 0.000 0.348 468 F C 0.694 176.576 175.800 0.135 0.000 1.119 468 F CA -0.759 57.366 58.000 0.208 0.000 1.069 468 F CB 1.669 40.718 39.000 0.082 0.000 1.124 468 F HN 0.561 nan 8.300 nan 0.000 0.472 469 T N -0.383 114.366 114.554 0.326 0.000 2.906 469 T HA 0.979 5.332 4.350 0.004 0.000 0.295 469 T C -0.383 174.426 174.700 0.183 0.000 1.075 469 T CA -0.796 61.416 62.100 0.187 0.000 1.005 469 T CB 2.055 70.995 68.868 0.119 0.000 1.136 469 T HN 1.126 nan 8.240 nan 0.000 0.498 470 G N -0.145 108.722 108.800 0.111 0.000 2.338 470 G HA2 0.425 4.388 3.960 0.004 0.000 0.295 470 G HA3 0.425 4.388 3.960 0.004 0.000 0.295 470 G C 0.263 175.192 174.900 0.049 0.000 1.461 470 G CA 0.064 45.218 45.100 0.090 0.000 0.817 470 G HN 1.161 nan 8.290 nan 0.000 0.556 471 T N -1.602 112.972 114.554 0.034 0.000 3.035 471 T HA 0.366 4.719 4.350 0.004 0.000 0.259 471 T C 1.636 176.342 174.700 0.010 0.000 1.078 471 T CA 1.196 63.307 62.100 0.019 0.000 1.132 471 T CB -0.181 68.695 68.868 0.012 0.000 0.900 471 T HN 1.555 nan 8.240 nan 0.000 0.480 472 G N 0.618 109.422 108.800 0.006 0.000 2.670 472 G HA2 0.243 4.205 3.960 0.004 0.000 0.233 472 G HA3 0.243 4.205 3.960 0.004 0.000 0.233 472 G C 0.735 175.629 174.900 -0.010 0.000 1.251 472 G CA 0.393 45.489 45.100 -0.007 0.000 0.849 472 G HN 0.316 nan 8.290 nan 0.000 0.588 473 T N -0.129 114.416 114.554 -0.015 0.000 3.040 473 T HA 0.401 4.754 4.350 0.004 0.000 0.250 473 T C 1.238 175.924 174.700 -0.024 0.000 1.058 473 T CA 1.161 63.252 62.100 -0.015 0.000 0.988 473 T CB -0.346 68.515 68.868 -0.012 0.000 0.993 473 T HN 0.801 nan 8.240 nan 0.000 0.519 474 G N 0.988 109.767 108.800 -0.034 0.000 3.135 474 G HA2 0.387 4.349 3.960 0.004 0.000 0.159 474 G HA3 0.387 4.349 3.960 0.004 0.000 0.159 474 G C -0.709 174.146 174.900 -0.074 0.000 1.244 474 G CA -0.825 44.247 45.100 -0.047 0.000 0.965 474 G HN 0.287 nan 8.290 nan 0.000 0.599 475 N N 0.331 118.976 118.700 -0.091 0.000 2.440 475 N HA 0.079 4.821 4.740 0.004 0.000 0.265 475 N C 1.468 176.876 175.510 -0.171 0.000 1.239 475 N CA 0.089 53.051 53.050 -0.148 0.000 0.909 475 N CB 0.500 38.909 38.487 -0.129 0.000 1.066 475 N HN 0.326 nan 8.380 nan 0.000 0.474 476 L N 2.817 123.870 121.223 -0.282 0.000 2.102 476 L HA 0.187 4.530 4.340 0.004 0.000 0.202 476 L C 0.062 176.855 176.870 -0.128 0.000 1.076 476 L CA 0.529 55.231 54.840 -0.230 0.000 0.761 476 L CB -0.385 41.489 42.059 -0.309 0.000 0.921 476 L HN 0.573 nan 8.230 nan 0.000 0.444 477 F N -3.654 116.177 119.950 -0.199 0.000 2.807 477 F HA 0.473 5.002 4.527 0.003 0.000 0.316 477 F C -1.176 174.454 175.800 -0.284 0.000 1.162 477 F CA -1.548 56.298 58.000 -0.256 0.000 0.910 477 F CB 0.520 39.361 39.000 -0.264 0.000 1.314 477 F HN -0.309 nan 8.300 nan 0.000 0.454 478 N N 0.853 119.486 118.700 -0.112 0.000 2.456 478 N HA 0.529 5.271 4.740 0.004 0.000 0.296 478 N C -1.969 173.648 175.510 0.178 0.000 1.102 478 N CA -0.269 52.673 53.050 -0.181 0.000 0.924 478 N CB 2.020 40.166 38.487 -0.570 0.000 1.186 478 N HN 0.623 nan 8.380 nan 0.000 0.492 479 F N 1.344 121.366 119.950 0.120 0.000 2.612 479 F HA 0.250 4.779 4.527 0.003 0.000 0.332 479 F C 0.372 176.332 175.800 0.268 0.000 1.167 479 F CA -1.502 56.628 58.000 0.216 0.000 0.970 479 F CB 1.311 40.388 39.000 0.130 0.000 1.234 479 F HN 0.448 nan 8.300 nan 0.000 0.453 480 D N 4.351 124.972 120.400 0.370 0.000 2.369 480 D HA 0.103 4.746 4.640 0.004 0.000 0.231 480 D C -0.626 175.648 176.300 -0.043 0.000 0.967 480 D CA 1.504 55.543 54.000 0.066 0.000 0.905 480 D CB 0.351 41.022 40.800 -0.215 0.000 1.044 480 D HN 0.408 nan 8.370 nan 0.000 0.487 481 Y N -1.969 118.278 120.300 -0.090 0.000 2.689 481 Y HA 0.530 5.082 4.550 0.003 0.000 0.333 481 Y C -1.651 174.245 175.900 -0.007 0.000 1.208 481 Y CA -1.813 56.159 58.100 -0.214 0.000 1.055 481 Y CB 0.325 38.656 38.460 -0.215 0.000 1.304 481 Y HN 0.022 nan 8.280 nan 0.000 0.455 482 W N 1.071 122.455 121.300 0.140 0.000 3.047 482 W HA 0.806 5.467 4.660 0.001 0.000 0.341 482 W C -2.180 174.398 176.519 0.099 0.000 1.225 482 W CA -1.037 56.297 57.345 -0.019 0.000 1.150 482 W CB 2.012 31.406 29.460 -0.110 0.000 1.470 482 W HN 0.991 nan 8.180 nan 0.000 0.578 483 Q N 1.130 121.133 119.800 0.339 0.000 2.378 483 Q HA 0.388 4.730 4.340 0.004 0.000 0.262 483 Q C -2.238 173.978 176.000 0.360 0.000 0.978 483 Q CA -0.446 55.585 55.803 0.379 0.000 0.918 483 Q CB 2.551 31.422 28.738 0.222 0.000 1.415 483 Q HN 0.411 nan 8.270 nan 0.000 0.409 484 F N 0.798 121.094 119.950 0.576 0.000 2.380 484 F HA 0.558 5.090 4.527 0.010 0.000 0.321 484 F C 0.904 177.057 175.800 0.589 0.000 1.103 484 F CA -0.164 58.188 58.000 0.587 0.000 1.067 484 F CB 1.788 41.146 39.000 0.597 0.000 1.265 484 F HN 0.488 nan 8.300 nan 0.000 0.517 485 T N -0.999 113.986 114.554 0.718 0.000 2.888 485 T HA 0.425 4.778 4.350 0.004 0.000 0.284 485 T C -0.711 174.227 174.700 0.396 0.000 1.017 485 T CA -1.088 61.297 62.100 0.475 0.000 1.022 485 T CB 1.393 70.423 68.868 0.270 0.000 1.013 485 T HN 0.536 nan 8.240 nan 0.000 0.465 486 Q N 1.377 121.179 119.800 0.004 0.000 2.327 486 Q HA 0.307 4.650 4.340 0.004 0.000 0.254 486 Q C 0.474 176.468 176.000 -0.010 0.000 0.952 486 Q CA -0.586 55.077 55.803 -0.234 0.000 0.884 486 Q CB 1.417 29.862 28.738 -0.489 0.000 1.224 486 Q HN 0.539 nan 8.270 nan 0.000 0.422 487 R N 0.000 120.518 120.500 0.031 0.000 2.786 487 R HA 0.000 4.342 4.340 0.004 0.000 0.208 487 R CA 0.000 56.130 56.100 0.050 0.000 0.921 487 R CB 0.000 30.340 30.300 0.067 0.000 0.687 487 R HN 0.000 nan 8.270 nan 0.000 0.535