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 3eom_1_D DATA FIRST_RESID 3 DATA SEQUENCE AATFHWDDPL LLDQQLADDE RMVRDAAHAY AQGKLAPRVT EAFRHETTDA DATA SEQUENCE AIFREMGEIG LLGPTIPEQY GGPGLDYVSY GLIAREVERV DSGYRSMMSV DATA SEQUENCE QSSLVMVPIF EFGSDAQKEK YLPKLATGEW IGCFGLTEPX XXXXXXSMVT DATA SEQUENCE RARKVPGGYS LSGSKMWITN SPIADVFVVW AKLDXDGRDE IRGFILEKGC DATA SEQUENCE KGLSAPAIHG KVGLRASITG EIVLDEAFVP EENILPHVKG LRGPFTCLNS DATA SEQUENCE ARYGIAWGAL GAAESCWHIA RQYVLDRKQF GRPLAANQLI QKKLADMQTE DATA SEQUENCE ITLGLQGVLR LGRMKDEGTA AVEITSIMKR NSCGKALDIA RLARDMLGGN DATA SEQUENCE XXXDEFGVAR HLVNLEVVNT YEGTHDIHAL ILGRAQTGIQ AF 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.605 177.584 0.036 0.000 1.274 3 A CA 0.000 52.053 52.037 0.026 0.000 0.836 3 A CB 0.000 19.012 19.000 0.021 0.000 0.831 4 A N 1.417 124.266 122.820 0.049 0.000 2.386 4 A HA 0.678 4.997 4.320 -0.000 0.000 0.248 4 A C 0.705 178.334 177.584 0.074 0.000 1.082 4 A CA 0.436 52.513 52.037 0.068 0.000 0.789 4 A CB -0.176 18.878 19.000 0.089 0.000 1.025 4 A HN 1.280 nan 8.150 nan 0.000 0.490 5 T N 1.470 116.059 114.554 0.059 0.000 2.919 5 T HA 0.308 4.657 4.350 -0.000 0.000 0.302 5 T C -0.336 174.390 174.700 0.044 0.000 1.031 5 T CA 0.502 62.594 62.100 -0.014 0.000 1.127 5 T CB 0.045 68.820 68.868 -0.155 0.000 0.952 5 T HN 0.397 nan 8.240 nan 0.000 0.540 6 F N 3.703 123.574 119.950 -0.131 0.000 2.404 6 F HA 0.262 4.789 4.527 -0.000 0.000 0.354 6 F C 0.510 176.206 175.800 -0.173 0.000 1.122 6 F CA -0.814 57.151 58.000 -0.058 0.000 1.080 6 F CB 0.557 39.579 39.000 0.036 0.000 1.131 6 F HN 0.577 nan 8.300 nan 0.000 0.471 7 H N 8.214 126.947 119.070 -0.562 0.000 2.741 7 H HA -0.013 4.542 4.556 -0.000 0.000 0.282 7 H C 0.686 175.416 175.328 -0.998 0.000 1.122 7 H CA -0.434 55.238 56.048 -0.628 0.000 1.293 7 H CB 0.283 29.804 29.762 -0.403 0.000 1.415 7 H HN 0.927 nan 8.280 nan 0.000 0.472 8 W N 4.444 125.302 121.300 -0.737 0.000 2.392 8 W HA -0.127 4.533 4.660 -0.000 0.000 0.279 8 W C 0.476 176.980 176.519 -0.025 0.000 1.225 8 W CA 1.016 58.100 57.345 -0.434 0.000 1.233 8 W CB -0.261 29.199 29.460 -0.001 0.000 1.122 8 W HN 0.453 nan 8.180 nan 0.000 0.561 9 D N -0.055 119.808 120.400 -0.895 0.000 2.349 9 D HA -0.087 4.553 4.640 -0.000 0.000 0.215 9 D C -0.178 175.984 176.300 -0.230 0.000 1.016 9 D CA 0.476 53.974 54.000 -0.836 0.000 0.870 9 D CB -0.426 39.420 40.800 -1.589 0.000 0.917 9 D HN 0.079 nan 8.370 nan 0.000 0.524 10 D N -0.227 120.050 120.400 -0.206 0.000 3.118 10 D HA 0.184 4.824 4.640 -0.000 0.000 0.286 10 D C -2.113 174.143 176.300 -0.074 0.000 1.255 10 D CA -1.558 52.386 54.000 -0.094 0.000 0.748 10 D CB 1.225 41.928 40.800 -0.161 0.000 1.332 10 D HN -0.214 nan 8.370 nan 0.000 0.575 11 P HA -0.082 nan 4.420 nan 0.000 0.217 11 P C 1.247 178.626 177.300 0.132 0.000 1.151 11 P CA 0.973 64.116 63.100 0.072 0.000 0.849 11 P CB 0.326 32.192 31.700 0.276 0.000 0.787 12 L N -1.666 119.605 121.223 0.079 0.000 2.628 12 L HA 0.187 4.527 4.340 -0.000 0.000 0.229 12 L C 0.313 177.202 176.870 0.031 0.000 1.137 12 L CA -0.247 54.634 54.840 0.067 0.000 0.909 12 L CB -0.432 41.657 42.059 0.051 0.000 1.137 12 L HN -0.102 nan 8.230 nan 0.000 0.470 13 L N 0.457 121.676 121.223 -0.007 0.000 3.823 13 L HA -0.265 4.074 4.340 -0.000 0.000 0.525 13 L C 1.453 178.303 176.870 -0.033 0.000 1.247 13 L CA -0.228 54.576 54.840 -0.060 0.000 0.776 13 L CB -1.002 41.025 42.059 -0.053 0.000 1.443 13 L HN 0.300 nan 8.230 nan 0.000 0.831 14 L N 0.662 121.873 121.223 -0.019 0.000 2.079 14 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 14 L C 1.974 178.848 176.870 0.006 0.000 1.081 14 L CA 2.610 57.460 54.840 0.016 0.000 0.752 14 L CB -0.196 41.888 42.059 0.042 0.000 0.896 14 L HN 0.547 nan 8.230 nan 0.000 0.433 15 D N -1.008 119.368 120.400 -0.040 0.000 2.133 15 D HA -0.248 4.392 4.640 -0.000 0.000 0.195 15 D C 1.909 178.184 176.300 -0.041 0.000 0.997 15 D CA 1.486 55.453 54.000 -0.056 0.000 0.840 15 D CB -0.010 40.721 40.800 -0.117 0.000 0.947 15 D HN 0.545 nan 8.370 nan 0.000 0.452 16 Q N -0.693 119.082 119.800 -0.043 0.000 2.403 16 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 16 Q C 1.476 177.476 176.000 -0.001 0.000 0.932 16 Q CA 0.230 56.018 55.803 -0.025 0.000 0.945 16 Q CB 0.284 29.005 28.738 -0.029 0.000 1.045 16 Q HN 0.522 nan 8.270 nan 0.000 0.511 17 Q N 0.101 119.909 119.800 0.012 0.000 2.392 17 Q HA 0.166 4.506 4.340 -0.000 0.000 0.203 17 Q C 0.031 176.056 176.000 0.042 0.000 0.917 17 Q CA 0.082 55.904 55.803 0.032 0.000 0.939 17 Q CB 0.535 29.301 28.738 0.046 0.000 1.063 17 Q HN 0.285 nan 8.270 nan 0.000 0.516 18 L N 0.465 121.706 121.223 0.031 0.000 2.325 18 L HA 0.494 4.833 4.340 -0.000 0.000 0.279 18 L C 0.107 176.985 176.870 0.014 0.000 1.054 18 L CA -0.984 53.874 54.840 0.030 0.000 0.804 18 L CB 1.043 43.115 42.059 0.020 0.000 1.200 18 L HN -0.033 nan 8.230 nan 0.000 0.436 19 A N 1.416 124.245 122.820 0.015 0.000 2.366 19 A HA 0.120 4.440 4.320 -0.000 0.000 0.249 19 A C 0.980 178.562 177.584 -0.005 0.000 1.084 19 A CA -0.235 51.805 52.037 0.005 0.000 0.794 19 A CB 0.202 19.206 19.000 0.008 0.000 1.034 19 A HN 0.910 nan 8.150 nan 0.000 0.491 20 D N 0.924 121.319 120.400 -0.009 0.000 2.144 20 D HA -0.215 4.425 4.640 -0.000 0.000 0.200 20 D C 0.853 177.143 176.300 -0.018 0.000 0.978 20 D CA 1.480 55.471 54.000 -0.014 0.000 0.833 20 D CB -0.559 40.232 40.800 -0.014 0.000 0.961 20 D HN 0.683 nan 8.370 nan 0.000 0.470 21 D N 1.383 121.773 120.400 -0.017 0.000 2.144 21 D HA -0.218 4.422 4.640 -0.000 0.000 0.199 21 D C 1.737 178.022 176.300 -0.025 0.000 0.984 21 D CA 0.941 54.928 54.000 -0.022 0.000 0.834 21 D CB -0.624 40.162 40.800 -0.023 0.000 0.955 21 D HN 0.403 nan 8.370 nan 0.000 0.465 22 E N 0.366 120.552 120.200 -0.023 0.000 2.031 22 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 22 E C 2.343 178.923 176.600 -0.033 0.000 0.994 22 E CA 0.737 57.119 56.400 -0.029 0.000 0.800 22 E CB -0.111 29.579 29.700 -0.017 0.000 0.752 22 E HN 0.198 nan 8.360 nan 0.000 0.447 23 R N 0.375 120.859 120.500 -0.026 0.000 2.127 23 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 23 R C 2.127 178.410 176.300 -0.030 0.000 1.134 23 R CA 1.327 57.409 56.100 -0.029 0.000 0.975 23 R CB 0.003 30.285 30.300 -0.030 0.000 0.865 23 R HN 0.206 nan 8.270 nan 0.000 0.447 24 M N -0.626 118.958 119.600 -0.026 0.000 2.388 24 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 24 M C 2.000 178.290 176.300 -0.016 0.000 1.088 24 M CA 0.570 55.858 55.300 -0.020 0.000 1.134 24 M CB 0.446 33.034 32.600 -0.020 0.000 1.384 24 M HN -0.005 nan 8.290 nan 0.000 0.447 25 V N 0.439 120.340 119.914 -0.023 0.000 2.295 25 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 25 V C 2.387 178.475 176.094 -0.010 0.000 1.049 25 V CA 1.857 64.144 62.300 -0.023 0.000 1.024 25 V CB -0.863 30.937 31.823 -0.038 0.000 0.648 25 V HN 0.488 nan 8.190 nan 0.000 0.447 26 R N 0.210 120.698 120.500 -0.019 0.000 2.083 26 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 26 R C 2.071 178.394 176.300 0.039 0.000 1.137 26 R CA 2.353 58.451 56.100 -0.004 0.000 0.951 26 R CB -0.476 29.810 30.300 -0.024 0.000 0.851 26 R HN 0.503 nan 8.270 nan 0.000 0.434 27 D N 0.205 120.613 120.400 0.014 0.000 2.123 27 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 27 D C 1.747 178.096 176.300 0.083 0.000 0.992 27 D CA 1.623 55.639 54.000 0.027 0.000 0.833 27 D CB -0.338 40.456 40.800 -0.010 0.000 0.954 27 D HN 0.414 nan 8.370 nan 0.000 0.455 28 A N 1.047 123.900 122.820 0.056 0.000 1.858 28 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 28 A C 2.338 179.988 177.584 0.110 0.000 1.190 28 A CA 2.393 54.469 52.037 0.065 0.000 0.617 28 A CB -0.923 18.091 19.000 0.023 0.000 0.827 28 A HN 0.232 nan 8.150 nan 0.000 0.443 29 A N -0.801 122.080 122.820 0.101 0.000 1.908 29 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 29 A C 2.013 179.693 177.584 0.160 0.000 1.181 29 A CA 2.307 54.428 52.037 0.140 0.000 0.627 29 A CB -1.017 18.038 19.000 0.092 0.000 0.818 29 A HN 0.828 nan 8.150 nan 0.000 0.445 30 H N -0.197 118.905 119.070 0.054 0.000 2.267 30 H HA -0.032 4.523 4.556 -0.000 0.000 0.297 30 H C 2.243 177.587 175.328 0.027 0.000 1.080 30 H CA 2.405 58.474 56.048 0.034 0.000 1.278 30 H CB -0.312 29.461 29.762 0.017 0.000 1.365 30 H HN 0.396 nan 8.280 nan 0.000 0.489 31 A N -0.044 122.880 122.820 0.173 0.000 1.892 31 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 31 A C 2.422 180.025 177.584 0.032 0.000 1.188 31 A CA 1.879 53.978 52.037 0.103 0.000 0.631 31 A CB -1.566 17.507 19.000 0.122 0.000 0.822 31 A HN 0.773 nan 8.150 nan 0.000 0.447 32 Y N 0.302 120.581 120.300 -0.033 0.000 2.145 32 Y HA -0.076 4.474 4.550 -0.000 0.000 0.286 32 Y C 2.639 178.484 175.900 -0.091 0.000 1.145 32 Y CA 1.679 59.745 58.100 -0.057 0.000 1.148 32 Y CB -0.418 38.012 38.460 -0.050 0.000 0.981 32 Y HN 0.317 nan 8.280 nan 0.000 0.507 33 A N 0.345 122.942 122.820 -0.372 0.000 1.873 33 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 33 A C 2.055 179.417 177.584 -0.369 0.000 1.186 33 A CA 1.711 53.478 52.037 -0.451 0.000 0.616 33 A CB -0.689 18.206 19.000 -0.177 0.000 0.823 33 A HN 0.562 nan 8.150 nan 0.000 0.442 34 Q N -0.433 119.174 119.800 -0.322 0.000 2.124 34 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 34 Q C 2.132 178.014 176.000 -0.196 0.000 0.977 34 Q CA 1.669 57.317 55.803 -0.259 0.000 0.850 34 Q CB -0.938 27.601 28.738 -0.333 0.000 0.901 34 Q HN 0.655 nan 8.270 nan 0.000 0.429 35 G N 0.507 109.184 108.800 -0.206 0.000 2.396 35 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 35 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 35 G C 1.549 176.336 174.900 -0.189 0.000 1.166 35 G CA 0.268 45.280 45.100 -0.147 0.000 0.793 35 G HN 0.128 nan 8.290 nan 0.000 0.533 36 K N -0.421 119.764 120.400 -0.359 0.000 2.365 36 K HA 0.379 4.699 4.320 -0.000 0.000 0.195 36 K C 2.232 178.600 176.600 -0.386 0.000 1.079 36 K CA 0.090 56.158 56.287 -0.365 0.000 0.979 36 K CB 0.318 32.580 32.500 -0.396 0.000 0.929 36 K HN 0.309 nan 8.250 nan 0.000 0.523 37 L N -0.035 120.907 121.223 -0.468 0.000 2.269 37 L HA 0.185 4.525 4.340 -0.000 0.000 0.200 37 L C 2.406 179.217 176.870 -0.099 0.000 1.069 37 L CA 0.700 55.308 54.840 -0.387 0.000 0.804 37 L CB -0.570 41.168 42.059 -0.535 0.000 0.987 37 L HN -0.069 nan 8.230 nan 0.000 0.468 38 A N 1.283 124.046 122.820 -0.095 0.000 1.903 38 A HA -0.178 4.141 4.320 -0.000 0.000 0.219 38 A C -0.068 177.510 177.584 -0.010 0.000 1.191 38 A CA 2.196 54.216 52.037 -0.029 0.000 0.638 38 A CB -1.982 16.985 19.000 -0.055 0.000 0.823 38 A HN 0.302 nan 8.150 nan 0.000 0.451 39 P HA -0.064 nan 4.420 nan 0.000 0.223 39 P C 1.380 178.692 177.300 0.019 0.000 1.151 39 P CA 0.969 64.064 63.100 -0.010 0.000 0.787 39 P CB -0.051 31.634 31.700 -0.025 0.000 0.788 40 R N -0.870 119.645 120.500 0.026 0.000 2.119 40 R HA 0.010 4.350 4.340 -0.000 0.000 0.222 40 R C 2.179 178.565 176.300 0.144 0.000 1.088 40 R CA 0.481 56.629 56.100 0.080 0.000 0.984 40 R CB -1.061 29.281 30.300 0.071 0.000 0.884 40 R HN 0.067 nan 8.270 nan 0.000 0.447 41 V N 0.830 120.837 119.914 0.156 0.000 2.343 41 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 41 V C 1.660 177.808 176.094 0.090 0.000 1.051 41 V CA 2.322 64.713 62.300 0.153 0.000 1.036 41 V CB -0.223 31.663 31.823 0.106 0.000 0.654 41 V HN 0.389 nan 8.190 nan 0.000 0.451 42 T N -0.174 114.417 114.554 0.062 0.000 2.708 42 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 42 T C 1.797 176.546 174.700 0.081 0.000 1.037 42 T CA 1.632 63.764 62.100 0.053 0.000 1.146 42 T CB -0.266 68.622 68.868 0.033 0.000 0.865 42 T HN 0.536 nan 8.240 nan 0.000 0.435 43 E N 1.234 121.496 120.200 0.103 0.000 2.072 43 E HA 0.022 4.371 4.350 -0.000 0.000 0.190 43 E C 2.633 179.339 176.600 0.176 0.000 0.982 43 E CA 1.031 57.522 56.400 0.153 0.000 0.803 43 E CB -0.463 29.354 29.700 0.194 0.000 0.755 43 E HN 0.504 nan 8.360 nan 0.000 0.453 44 A N 1.058 123.977 122.820 0.165 0.000 1.877 44 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 44 A C 2.091 179.741 177.584 0.110 0.000 1.186 44 A CA 1.300 53.432 52.037 0.159 0.000 0.620 44 A CB -0.881 18.235 19.000 0.194 0.000 0.822 44 A HN 0.266 nan 8.150 nan 0.000 0.443 45 F N 0.409 120.334 119.950 -0.043 0.000 2.134 45 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 45 F C 2.401 178.140 175.800 -0.102 0.000 1.097 45 F CA 1.975 59.924 58.000 -0.084 0.000 1.264 45 F CB -0.208 38.720 39.000 -0.119 0.000 1.001 45 F HN 0.210 nan 8.300 nan 0.000 0.479 46 R N -0.658 119.823 120.500 -0.032 0.000 2.083 46 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 46 R C 1.373 177.411 176.300 -0.437 0.000 1.137 46 R CA 2.419 58.344 56.100 -0.292 0.000 0.951 46 R CB -0.551 29.475 30.300 -0.457 0.000 0.851 46 R HN 0.457 nan 8.270 nan 0.000 0.434 47 H N -1.291 117.752 119.070 -0.044 0.000 2.652 47 H HA 0.227 4.783 4.556 -0.000 0.000 0.274 47 H C -0.470 174.820 175.328 -0.063 0.000 1.021 47 H CA 0.247 56.266 56.048 -0.050 0.000 1.187 47 H CB 0.727 30.478 29.762 -0.019 0.000 1.505 47 H HN 0.280 nan 8.280 nan 0.000 0.530 48 E N 1.212 121.397 120.200 -0.024 0.000 2.264 48 E HA -0.143 4.206 4.350 -0.000 0.000 0.223 48 E C -1.023 175.612 176.600 0.058 0.000 1.220 48 E CA 0.240 56.621 56.400 -0.032 0.000 0.692 48 E CB -1.023 28.654 29.700 -0.038 0.000 1.203 48 E HN 0.339 nan 8.360 nan 0.000 0.384 49 T N 1.426 116.031 114.554 0.085 0.000 2.797 49 T HA 0.450 4.799 4.350 -0.000 0.000 0.279 49 T C -0.252 174.529 174.700 0.136 0.000 0.991 49 T CA -0.435 61.732 62.100 0.112 0.000 0.979 49 T CB 1.747 70.687 68.868 0.120 0.000 0.943 49 T HN 0.089 nan 8.240 nan 0.000 0.444 50 T N 2.506 117.145 114.554 0.142 0.000 2.786 50 T HA 0.320 4.670 4.350 -0.000 0.000 0.283 50 T C -0.522 174.273 174.700 0.158 0.000 0.992 50 T CA -0.733 61.471 62.100 0.173 0.000 0.954 50 T CB 1.106 70.082 68.868 0.181 0.000 0.934 50 T HN 0.556 nan 8.240 nan 0.000 0.440 51 D N 2.709 123.199 120.400 0.150 0.000 2.468 51 D HA 0.416 5.056 4.640 -0.000 0.000 0.218 51 D C 1.272 177.651 176.300 0.131 0.000 1.155 51 D CA -0.722 53.348 54.000 0.117 0.000 0.924 51 D CB 0.477 41.326 40.800 0.082 0.000 1.029 51 D HN 0.518 nan 8.370 nan 0.000 0.515 52 A N 3.681 126.614 122.820 0.188 0.000 2.139 52 A HA -0.084 4.235 4.320 -0.000 0.000 0.221 52 A C 2.141 179.894 177.584 0.282 0.000 1.159 52 A CA 1.510 53.736 52.037 0.315 0.000 0.662 52 A CB -0.523 18.650 19.000 0.289 0.000 0.796 52 A HN 0.647 nan 8.150 nan 0.000 0.463 53 A N -0.126 122.789 122.820 0.157 0.000 2.131 53 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 53 A C 1.900 179.538 177.584 0.090 0.000 1.158 53 A CA 1.349 53.456 52.037 0.117 0.000 0.665 53 A CB -0.636 18.411 19.000 0.077 0.000 0.795 53 A HN 0.560 nan 8.150 nan 0.000 0.460 54 I N -1.772 118.824 120.570 0.044 0.000 2.286 54 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 54 I C 2.124 178.179 176.117 -0.102 0.000 1.115 54 I CA 1.312 62.575 61.300 -0.062 0.000 1.392 54 I CB -0.369 37.508 38.000 -0.205 0.000 1.065 54 I HN 0.343 nan 8.210 nan 0.000 0.418 55 F N 0.557 120.531 119.950 0.039 0.000 2.102 55 F HA -0.216 4.310 4.527 -0.000 0.000 0.298 55 F C 2.708 178.504 175.800 -0.007 0.000 1.105 55 F CA 1.380 59.395 58.000 0.025 0.000 1.239 55 F CB -0.593 38.435 39.000 0.047 0.000 0.991 55 F HN -0.124 nan 8.300 nan 0.000 0.474 56 R N 0.734 121.356 120.500 0.204 0.000 2.091 56 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 56 R C 1.991 178.295 176.300 0.006 0.000 1.136 56 R CA 1.647 57.801 56.100 0.090 0.000 0.959 56 R CB -0.496 29.857 30.300 0.088 0.000 0.856 56 R HN 0.350 nan 8.270 nan 0.000 0.437 57 E N -0.680 119.508 120.200 -0.021 0.000 2.031 57 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 57 E C 2.002 178.403 176.600 -0.333 0.000 0.994 57 E CA 1.789 58.114 56.400 -0.125 0.000 0.800 57 E CB -0.141 29.545 29.700 -0.024 0.000 0.752 57 E HN 0.314 nan 8.360 nan 0.000 0.447 58 M N 0.201 119.587 119.600 -0.357 0.000 2.213 58 M HA -0.090 4.389 4.480 -0.000 0.000 0.263 58 M C 2.332 178.512 176.300 -0.200 0.000 1.062 58 M CA 1.326 56.394 55.300 -0.387 0.000 1.105 58 M CB -0.313 32.150 32.600 -0.227 0.000 1.385 58 M HN 0.220 nan 8.290 nan 0.000 0.417 59 G N 0.322 109.062 108.800 -0.099 0.000 2.453 59 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 59 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 59 G C 1.307 176.158 174.900 -0.082 0.000 1.201 59 G CA 0.653 45.721 45.100 -0.054 0.000 0.784 59 G HN 0.347 nan 8.290 nan 0.000 0.545 60 E N 0.732 120.877 120.200 -0.092 0.000 2.187 60 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 60 E C 2.362 178.904 176.600 -0.097 0.000 1.004 60 E CA 1.195 57.544 56.400 -0.085 0.000 0.813 60 E CB -0.277 29.376 29.700 -0.078 0.000 0.736 60 E HN 0.803 nan 8.360 nan 0.000 0.468 61 I N -3.613 116.874 120.570 -0.139 0.000 3.976 61 I HA 0.384 4.554 4.170 -0.000 0.000 0.337 61 I C 0.915 176.967 176.117 -0.108 0.000 1.359 61 I CA 0.231 61.456 61.300 -0.126 0.000 1.098 61 I CB 0.183 38.087 38.000 -0.161 0.000 1.027 61 I HN -0.023 nan 8.210 nan 0.000 0.394 62 G N 2.609 111.349 108.800 -0.101 0.000 2.256 62 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.272 62 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.272 62 G C 0.272 175.123 174.900 -0.082 0.000 1.076 62 G CA 0.321 45.371 45.100 -0.083 0.000 0.882 62 G HN 0.471 nan 8.290 nan 0.000 0.497 63 L N -1.128 120.042 121.223 -0.089 0.000 2.638 63 L HA 0.369 4.708 4.340 -0.000 0.000 0.232 63 L C 1.421 178.272 176.870 -0.031 0.000 1.099 63 L CA -0.073 54.730 54.840 -0.061 0.000 0.883 63 L CB 0.078 42.090 42.059 -0.078 0.000 1.136 63 L HN 0.224 nan 8.230 nan 0.000 0.492 64 L N 0.936 122.139 121.223 -0.033 0.000 2.305 64 L HA 0.356 4.696 4.340 -0.000 0.000 0.281 64 L C 0.957 177.788 176.870 -0.065 0.000 1.085 64 L CA -0.210 54.626 54.840 -0.006 0.000 0.813 64 L CB 0.792 42.878 42.059 0.044 0.000 1.157 64 L HN 0.238 nan 8.230 nan 0.000 0.436 65 G N 4.288 113.024 108.800 -0.107 0.000 2.334 65 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.279 65 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.279 65 G C -1.750 172.999 174.900 -0.253 0.000 0.918 65 G CA -0.566 44.407 45.100 -0.212 0.000 1.314 65 G HN 0.601 nan 8.290 nan 0.000 0.463 66 P HA -0.113 nan 4.420 nan 0.000 0.219 66 P C 2.020 179.154 177.300 -0.277 0.000 1.146 66 P CA 2.049 65.013 63.100 -0.228 0.000 0.808 66 P CB 0.087 31.695 31.700 -0.152 0.000 0.779 67 T N -4.752 109.566 114.554 -0.393 0.000 3.081 67 T HA 0.107 4.457 4.350 -0.000 0.000 0.250 67 T C 0.856 175.294 174.700 -0.438 0.000 1.100 67 T CA -0.104 61.735 62.100 -0.434 0.000 1.038 67 T CB -0.507 67.989 68.868 -0.621 0.000 0.962 67 T HN -0.189 nan 8.240 nan 0.000 0.516 68 I N 3.507 123.821 120.570 -0.427 0.000 2.556 68 I HA 0.295 4.465 4.170 -0.000 0.000 0.284 68 I C -2.307 173.602 176.117 -0.347 0.000 1.114 68 I CA -3.136 57.854 61.300 -0.515 0.000 1.418 68 I CB 0.177 37.951 38.000 -0.377 0.000 1.394 68 I HN 0.026 nan 8.210 nan 0.000 0.552 69 P HA 0.034 nan 4.420 nan 0.000 0.267 69 P C 0.761 178.004 177.300 -0.095 0.000 1.200 69 P CA -0.060 62.949 63.100 -0.150 0.000 0.772 69 P CB 0.540 32.218 31.700 -0.037 0.000 0.855 70 E N 1.685 121.829 120.200 -0.093 0.000 2.130 70 E HA -0.324 4.026 4.350 -0.000 0.000 0.196 70 E C 1.790 178.325 176.600 -0.108 0.000 0.998 70 E CA 1.177 57.524 56.400 -0.087 0.000 0.806 70 E CB -0.223 29.429 29.700 -0.079 0.000 0.738 70 E HN 0.612 nan 8.360 nan 0.000 0.459 71 Q N 0.499 120.204 119.800 -0.159 0.000 2.118 71 Q HA -0.233 4.106 4.340 -0.000 0.000 0.211 71 Q C 0.933 176.702 176.000 -0.386 0.000 0.998 71 Q CA 1.816 57.429 55.803 -0.318 0.000 0.872 71 Q CB -0.176 28.283 28.738 -0.465 0.000 0.925 71 Q HN 0.394 nan 8.270 nan 0.000 0.414 72 Y N -1.199 119.093 120.300 -0.013 0.000 2.532 72 Y HA 0.347 4.897 4.550 -0.000 0.000 0.283 72 Y C 1.245 177.126 175.900 -0.031 0.000 1.181 72 Y CA 0.322 58.423 58.100 0.001 0.000 1.256 72 Y CB 0.830 39.319 38.460 0.048 0.000 1.112 72 Y HN 0.386 nan 8.280 nan 0.000 0.521 73 G N -0.758 108.058 108.800 0.027 0.000 2.194 73 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.236 73 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.236 73 G C 0.800 175.681 174.900 -0.031 0.000 0.987 73 G CA -0.197 44.899 45.100 -0.007 0.000 0.635 73 G HN 0.741 nan 8.290 nan 0.000 0.520 74 G N 0.170 108.944 108.800 -0.044 0.000 2.599 74 G HA2 0.568 4.528 3.960 -0.000 0.000 0.264 74 G HA3 0.568 4.528 3.960 -0.000 0.000 0.264 74 G C -0.713 174.129 174.900 -0.096 0.000 1.200 74 G CA -0.192 44.853 45.100 -0.090 0.000 0.896 74 G HN 0.153 nan 8.290 nan 0.000 0.536 75 P HA 0.121 nan 4.420 nan 0.000 0.255 75 P C 0.988 178.225 177.300 -0.105 0.000 1.248 75 P CA 0.609 63.652 63.100 -0.096 0.000 0.807 75 P CB 0.483 32.130 31.700 -0.089 0.000 1.150 76 G N 0.587 109.307 108.800 -0.134 0.000 2.323 76 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.292 76 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.292 76 G C -0.095 174.727 174.900 -0.130 0.000 1.040 76 G CA 0.014 45.031 45.100 -0.138 0.000 0.942 76 G HN 0.297 nan 8.290 nan 0.000 0.506 77 L N -0.358 120.776 121.223 -0.149 0.000 2.448 77 L HA 0.595 4.935 4.340 -0.000 0.000 0.258 77 L C 0.965 177.735 176.870 -0.167 0.000 1.104 77 L CA -0.866 53.898 54.840 -0.128 0.000 0.800 77 L CB 0.491 42.487 42.059 -0.105 0.000 1.241 77 L HN 0.401 nan 8.230 nan 0.000 0.472 78 D N -1.722 118.607 120.400 -0.117 0.000 2.506 78 D HA 0.038 4.678 4.640 -0.000 0.000 0.272 78 D C 0.579 176.817 176.300 -0.103 0.000 1.214 78 D CA -0.064 53.863 54.000 -0.122 0.000 1.067 78 D CB 0.319 41.110 40.800 -0.015 0.000 1.117 78 D HN 0.355 nan 8.370 nan 0.000 0.578 79 Y N -0.872 119.442 120.300 0.023 0.000 2.314 79 Y HA -0.041 4.509 4.550 -0.000 0.000 0.293 79 Y C 2.395 178.409 175.900 0.190 0.000 1.129 79 Y CA 0.643 58.785 58.100 0.071 0.000 1.201 79 Y CB -0.331 38.050 38.460 -0.131 0.000 0.999 79 Y HN 0.146 nan 8.280 nan 0.000 0.541 80 V N -1.050 119.024 119.914 0.265 0.000 2.287 80 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 80 V C 2.270 178.273 176.094 -0.151 0.000 1.053 80 V CA 2.228 64.603 62.300 0.126 0.000 1.027 80 V CB -0.866 31.040 31.823 0.139 0.000 0.646 80 V HN 0.340 nan 8.190 nan 0.000 0.447 81 S N -1.550 114.112 115.700 -0.062 0.000 2.368 81 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 81 S C 1.798 176.351 174.600 -0.078 0.000 1.030 81 S CA 1.886 60.027 58.200 -0.098 0.000 0.999 81 S CB -0.516 62.652 63.200 -0.053 0.000 0.844 81 S HN 0.725 nan 8.310 nan 0.000 0.459 82 Y N 2.053 122.275 120.300 -0.129 0.000 2.128 82 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 82 Y C 2.496 178.259 175.900 -0.228 0.000 1.154 82 Y CA 1.059 59.112 58.100 -0.078 0.000 1.149 82 Y CB -0.728 37.780 38.460 0.081 0.000 0.976 82 Y HN 0.329 nan 8.280 nan 0.000 0.505 83 G N 0.730 109.172 108.800 -0.596 0.000 2.480 83 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 83 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 83 G C 1.544 175.643 174.900 -1.334 0.000 1.200 83 G CA 1.438 45.503 45.100 -1.724 0.000 0.782 83 G HN 0.438 nan 8.290 nan 0.000 0.554 84 L N 0.302 120.843 121.223 -1.137 0.000 2.043 84 L HA -0.121 4.218 4.340 -0.000 0.000 0.212 84 L C 2.908 179.643 176.870 -0.224 0.000 1.075 84 L CA 0.904 55.419 54.840 -0.542 0.000 0.752 84 L CB -0.465 41.385 42.059 -0.349 0.000 0.891 84 L HN 0.235 nan 8.230 nan 0.000 0.432 85 I N -0.114 120.351 120.570 -0.175 0.000 2.127 85 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 85 I C 2.849 178.954 176.117 -0.020 0.000 1.075 85 I CA 1.365 62.642 61.300 -0.039 0.000 1.334 85 I CB -0.635 37.384 38.000 0.032 0.000 1.040 85 I HN 0.227 nan 8.210 nan 0.000 0.405 86 A N 0.811 123.579 122.820 -0.088 0.000 1.902 86 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 86 A C 2.462 180.056 177.584 0.017 0.000 1.181 86 A CA 1.915 53.923 52.037 -0.049 0.000 0.623 86 A CB -0.729 18.164 19.000 -0.179 0.000 0.818 86 A HN 0.389 nan 8.150 nan 0.000 0.443 87 R N -0.512 120.006 120.500 0.031 0.000 2.091 87 R HA -0.169 4.170 4.340 -0.000 0.000 0.238 87 R C 1.811 178.169 176.300 0.097 0.000 1.136 87 R CA 1.742 57.914 56.100 0.121 0.000 0.959 87 R CB -0.182 30.269 30.300 0.252 0.000 0.856 87 R HN 0.460 nan 8.270 nan 0.000 0.437 88 E N -0.008 120.240 120.200 0.079 0.000 2.107 88 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 88 E C 2.082 178.730 176.600 0.080 0.000 0.982 88 E CA 1.080 57.537 56.400 0.094 0.000 0.809 88 E CB -0.075 29.687 29.700 0.104 0.000 0.756 88 E HN 0.230 nan 8.360 nan 0.000 0.459 89 V N 1.060 121.027 119.914 0.088 0.000 2.379 89 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 89 V C 2.378 178.552 176.094 0.133 0.000 1.044 89 V CA 1.840 64.207 62.300 0.111 0.000 1.036 89 V CB -0.406 31.495 31.823 0.129 0.000 0.664 89 V HN 0.217 nan 8.190 nan 0.000 0.453 90 E N 0.247 120.515 120.200 0.113 0.000 2.268 90 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 90 E C 2.357 179.040 176.600 0.138 0.000 0.995 90 E CA 0.661 57.131 56.400 0.117 0.000 0.836 90 E CB -0.126 29.624 29.700 0.082 0.000 0.763 90 E HN 0.428 nan 8.360 nan 0.000 0.491 91 R N -0.156 120.408 120.500 0.107 0.000 2.117 91 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 91 R C 1.780 178.194 176.300 0.190 0.000 1.143 91 R CA 1.647 57.804 56.100 0.096 0.000 0.968 91 R CB -0.028 30.323 30.300 0.085 0.000 0.863 91 R HN 0.133 nan 8.270 nan 0.000 0.444 92 V N -0.608 119.407 119.914 0.169 0.000 2.326 92 V HA -0.009 4.111 4.120 -0.000 0.000 0.238 92 V C 0.372 176.547 176.094 0.134 0.000 1.038 92 V CA 1.545 63.940 62.300 0.158 0.000 1.032 92 V CB -0.175 31.717 31.823 0.114 0.000 0.675 92 V HN 0.370 nan 8.190 nan 0.000 0.467 93 D N -2.673 117.804 120.400 0.128 0.000 2.927 93 D HA 0.316 4.956 4.640 -0.000 0.000 0.219 93 D C 0.534 176.831 176.300 -0.005 0.000 1.248 93 D CA -0.026 53.939 54.000 -0.059 0.000 0.861 93 D CB 2.037 42.621 40.800 -0.361 0.000 1.677 93 D HN -0.065 nan 8.370 nan 0.000 0.511 94 S N 1.329 117.030 115.700 0.003 0.000 2.382 94 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 94 S C 2.026 176.623 174.600 -0.005 0.000 1.027 94 S CA 1.063 59.281 58.200 0.030 0.000 0.991 94 S CB -0.218 63.010 63.200 0.046 0.000 0.823 94 S HN 0.671 nan 8.310 nan 0.000 0.469 95 G N 0.408 109.156 108.800 -0.087 0.000 2.469 95 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 95 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 95 G C 1.099 175.977 174.900 -0.037 0.000 1.150 95 G CA 0.856 45.895 45.100 -0.102 0.000 0.763 95 G HN 0.613 nan 8.290 nan 0.000 0.561 96 Y N -0.285 120.029 120.300 0.024 0.000 2.373 96 Y HA 0.058 4.608 4.550 -0.000 0.000 0.293 96 Y C 3.008 178.910 175.900 0.003 0.000 1.129 96 Y CA 0.531 58.625 58.100 -0.010 0.000 1.226 96 Y CB 0.002 38.453 38.460 -0.014 0.000 1.000 96 Y HN 0.014 nan 8.280 nan 0.000 0.549 97 R N 0.924 121.524 120.500 0.167 0.000 2.075 97 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 97 R C 2.014 178.380 176.300 0.110 0.000 1.126 97 R CA 1.700 57.874 56.100 0.123 0.000 0.963 97 R CB -0.468 29.888 30.300 0.094 0.000 0.858 97 R HN 0.305 nan 8.270 nan 0.000 0.435 98 S N 1.301 117.056 115.700 0.092 0.000 2.353 98 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 98 S C 2.185 176.864 174.600 0.131 0.000 1.035 98 S CA 1.730 59.985 58.200 0.091 0.000 1.025 98 S CB -0.385 62.851 63.200 0.059 0.000 0.902 98 S HN 0.295 nan 8.310 nan 0.000 0.440 99 M N 0.883 120.565 119.600 0.136 0.000 2.103 99 M HA -0.200 4.280 4.480 -0.000 0.000 0.255 99 M C 2.546 178.980 176.300 0.223 0.000 1.074 99 M CA 1.854 57.261 55.300 0.177 0.000 1.090 99 M CB -0.516 32.040 32.600 -0.074 0.000 1.325 99 M HN 0.344 nan 8.290 nan 0.000 0.403 100 M N -0.729 118.943 119.600 0.121 0.000 2.200 100 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 100 M C 2.066 178.487 176.300 0.201 0.000 1.066 100 M CA 1.581 56.973 55.300 0.153 0.000 1.127 100 M CB -0.095 32.575 32.600 0.117 0.000 1.379 100 M HN 0.165 nan 8.290 nan 0.000 0.420 101 S N 0.296 116.112 115.700 0.192 0.000 2.368 101 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 101 S C 1.827 176.519 174.600 0.154 0.000 1.030 101 S CA 1.454 59.777 58.200 0.204 0.000 0.999 101 S CB -0.336 62.953 63.200 0.148 0.000 0.844 101 S HN 0.429 nan 8.310 nan 0.000 0.459 102 V N 1.895 121.896 119.914 0.144 0.000 2.295 102 V HA -0.170 3.949 4.120 -0.000 0.000 0.246 102 V C 2.651 178.818 176.094 0.122 0.000 1.049 102 V CA 1.484 63.854 62.300 0.117 0.000 1.024 102 V CB -0.607 31.308 31.823 0.152 0.000 0.648 102 V HN 0.428 nan 8.190 nan 0.000 0.447 103 Q N -0.016 119.889 119.800 0.176 0.000 2.020 103 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 103 Q C 2.532 178.578 176.000 0.076 0.000 0.982 103 Q CA 2.145 58.031 55.803 0.137 0.000 0.838 103 Q CB -0.443 28.423 28.738 0.212 0.000 0.899 103 Q HN 0.671 nan 8.270 nan 0.000 0.423 104 S N 0.628 116.362 115.700 0.057 0.000 2.335 104 S HA -0.059 4.411 4.470 -0.000 0.000 0.216 104 S C 2.203 176.766 174.600 -0.062 0.000 1.032 104 S CA 1.368 59.531 58.200 -0.061 0.000 1.000 104 S CB -0.228 62.872 63.200 -0.166 0.000 0.928 104 S HN 0.243 nan 8.310 nan 0.000 0.434 105 S N 0.985 116.692 115.700 0.011 0.000 2.425 105 S HA 0.271 4.741 4.470 -0.000 0.000 0.225 105 S C 1.566 176.169 174.600 0.004 0.000 1.024 105 S CA 0.491 58.711 58.200 0.034 0.000 0.951 105 S CB -0.107 63.174 63.200 0.136 0.000 0.796 105 S HN 0.286 nan 8.310 nan 0.000 0.498 106 L N 0.418 121.622 121.223 -0.031 0.000 2.616 106 L HA 0.246 4.586 4.340 -0.000 0.000 0.229 106 L C 1.132 178.147 176.870 0.243 0.000 1.110 106 L CA 0.165 54.927 54.840 -0.129 0.000 0.884 106 L CB 0.242 42.020 42.059 -0.467 0.000 1.115 106 L HN 0.178 nan 8.230 nan 0.000 0.481 107 V N -1.623 118.388 119.914 0.161 0.000 3.278 107 V HA 0.035 4.155 4.120 -0.000 0.000 0.215 107 V C 1.938 178.093 176.094 0.100 0.000 1.287 107 V CA 0.300 62.690 62.300 0.151 0.000 1.302 107 V CB 0.251 32.127 31.823 0.088 0.000 1.228 107 V HN 0.120 nan 8.190 nan 0.000 0.523 108 M N 0.137 119.775 119.600 0.064 0.000 2.159 108 M HA -0.131 4.348 4.480 -0.000 0.000 0.263 108 M C 2.131 178.458 176.300 0.045 0.000 1.063 108 M CA 1.613 56.938 55.300 0.041 0.000 1.110 108 M CB -0.333 32.263 32.600 -0.006 0.000 1.374 108 M HN 0.247 nan 8.290 nan 0.000 0.411 109 V N 1.005 120.942 119.914 0.037 0.000 2.261 109 V HA -0.162 3.957 4.120 -0.000 0.000 0.246 109 V C -0.623 175.479 176.094 0.013 0.000 1.047 109 V CA 2.008 64.329 62.300 0.035 0.000 1.015 109 V CB -1.960 29.875 31.823 0.019 0.000 0.642 109 V HN 0.283 nan 8.190 nan 0.000 0.446 110 P HA -0.153 nan 4.420 nan 0.000 0.216 110 P C 1.786 179.134 177.300 0.080 0.000 1.150 110 P CA 1.697 64.912 63.100 0.192 0.000 0.837 110 P CB -0.021 31.994 31.700 0.525 0.000 0.786 111 I N -1.960 118.649 120.570 0.065 0.000 2.286 111 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 111 I C 2.474 178.589 176.117 -0.003 0.000 1.104 111 I CA 1.068 62.385 61.300 0.028 0.000 1.397 111 I CB -0.602 37.412 38.000 0.023 0.000 1.072 111 I HN -0.177 nan 8.210 nan 0.000 0.417 112 F N 2.107 121.960 119.950 -0.161 0.000 2.075 112 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 112 F C 2.539 178.199 175.800 -0.233 0.000 1.113 112 F CA 1.695 59.562 58.000 -0.221 0.000 1.218 112 F CB -0.201 38.683 39.000 -0.194 0.000 0.984 112 F HN -0.024 nan 8.300 nan 0.000 0.472 113 E N -0.399 119.533 120.200 -0.447 0.000 2.072 113 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 113 E C 1.745 178.032 176.600 -0.520 0.000 0.985 113 E CA 1.334 57.297 56.400 -0.728 0.000 0.801 113 E CB -0.412 28.581 29.700 -1.179 0.000 0.750 113 E HN 0.471 nan 8.360 nan 0.000 0.452 114 F N -0.502 119.450 119.950 0.003 0.000 2.706 114 F HA 0.338 4.865 4.527 -0.000 0.000 0.313 114 F C 1.252 177.109 175.800 0.095 0.000 1.096 114 F CA -0.392 57.655 58.000 0.078 0.000 1.219 114 F CB 0.010 39.074 39.000 0.107 0.000 1.051 114 F HN -0.194 nan 8.300 nan 0.000 0.568 115 G N 0.416 109.308 108.800 0.155 0.000 2.477 115 G HA2 0.432 4.392 3.960 -0.000 0.000 0.304 115 G HA3 0.432 4.392 3.960 -0.000 0.000 0.304 115 G C 0.113 175.104 174.900 0.151 0.000 1.175 115 G CA -0.227 44.931 45.100 0.098 0.000 0.907 115 G HN 0.183 nan 8.290 nan 0.000 0.509 116 S N 0.064 115.832 115.700 0.114 0.000 2.626 116 S HA 0.105 4.574 4.470 -0.000 0.000 0.257 116 S C 0.710 175.366 174.600 0.092 0.000 1.288 116 S CA 0.188 58.477 58.200 0.149 0.000 0.980 116 S CB 0.959 64.217 63.200 0.096 0.000 0.975 116 S HN 0.463 nan 8.310 nan 0.000 0.577 117 D N 0.857 121.321 120.400 0.105 0.000 2.144 117 D HA 0.072 4.711 4.640 -0.000 0.000 0.200 117 D C 2.186 178.567 176.300 0.134 0.000 0.978 117 D CA 1.642 55.713 54.000 0.119 0.000 0.833 117 D CB -0.635 40.248 40.800 0.138 0.000 0.961 117 D HN 0.650 nan 8.370 nan 0.000 0.470 118 A N 0.392 123.282 122.820 0.116 0.000 1.902 118 A HA -0.255 4.064 4.320 -0.000 0.000 0.217 118 A C 2.078 179.744 177.584 0.136 0.000 1.181 118 A CA 1.531 53.636 52.037 0.114 0.000 0.623 118 A CB -0.635 18.422 19.000 0.095 0.000 0.818 118 A HN 0.203 nan 8.150 nan 0.000 0.443 119 Q N -0.343 119.553 119.800 0.160 0.000 2.050 119 Q HA -0.174 4.165 4.340 -0.000 0.000 0.202 119 Q C 2.141 178.306 176.000 0.274 0.000 0.980 119 Q CA 1.808 57.778 55.803 0.278 0.000 0.840 119 Q CB -0.198 28.656 28.738 0.194 0.000 0.898 119 Q HN 0.630 nan 8.270 nan 0.000 0.424 120 K N 0.659 121.113 120.400 0.091 0.000 2.063 120 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 120 K C 1.964 178.611 176.600 0.079 0.000 1.048 120 K CA 1.534 57.776 56.287 -0.076 0.000 0.928 120 K CB -0.047 32.147 32.500 -0.509 0.000 0.713 120 K HN 0.228 nan 8.250 nan 0.000 0.442 121 E N 0.573 120.895 120.200 0.203 0.000 2.107 121 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 121 E C 1.951 178.629 176.600 0.130 0.000 0.982 121 E CA 0.922 57.478 56.400 0.261 0.000 0.809 121 E CB 0.133 29.966 29.700 0.220 0.000 0.756 121 E HN 0.169 nan 8.360 nan 0.000 0.459 122 K N -0.395 120.043 120.400 0.064 0.000 2.103 122 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 122 K C 1.233 177.779 176.600 -0.090 0.000 1.052 122 K CA 1.157 57.384 56.287 -0.101 0.000 0.945 122 K CB 0.142 32.465 32.500 -0.295 0.000 0.722 122 K HN 0.132 nan 8.250 nan 0.000 0.443 123 Y N -0.063 120.387 120.300 0.250 0.000 2.464 123 Y HA 0.113 4.663 4.550 -0.000 0.000 0.288 123 Y C 1.823 177.870 175.900 0.245 0.000 1.133 123 Y CA 0.165 58.466 58.100 0.335 0.000 1.223 123 Y CB 0.082 38.665 38.460 0.205 0.000 1.187 123 Y HN -0.114 nan 8.280 nan 0.000 0.539 124 L N 0.186 121.584 121.223 0.292 0.000 2.056 124 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 124 L C -0.664 176.292 176.870 0.143 0.000 1.078 124 L CA 1.042 55.998 54.840 0.194 0.000 0.749 124 L CB -1.612 40.532 42.059 0.141 0.000 0.901 124 L HN 0.149 nan 8.230 nan 0.000 0.433 125 P HA -0.185 nan 4.420 nan 0.000 0.215 125 P C 1.283 178.564 177.300 -0.031 0.000 1.153 125 P CA 1.459 64.576 63.100 0.029 0.000 0.853 125 P CB 0.022 31.718 31.700 -0.007 0.000 0.788 126 K N -1.127 119.230 120.400 -0.072 0.000 2.305 126 K HA 0.083 4.403 4.320 -0.000 0.000 0.199 126 K C 1.947 178.569 176.600 0.037 0.000 1.047 126 K CA 0.610 56.789 56.287 -0.179 0.000 0.976 126 K CB -0.334 31.756 32.500 -0.683 0.000 0.765 126 K HN 0.179 nan 8.250 nan 0.000 0.474 127 L N 0.251 121.570 121.223 0.161 0.000 2.179 127 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 127 L C 2.412 179.335 176.870 0.089 0.000 1.096 127 L CA 0.603 55.544 54.840 0.168 0.000 0.779 127 L CB -0.307 41.865 42.059 0.189 0.000 0.922 127 L HN 0.111 nan 8.230 nan 0.000 0.443 128 A N -0.074 122.778 122.820 0.053 0.000 1.972 128 A HA -0.199 4.120 4.320 -0.000 0.000 0.219 128 A C 2.377 179.964 177.584 0.004 0.000 1.169 128 A CA 2.173 54.219 52.037 0.015 0.000 0.635 128 A CB -0.756 18.242 19.000 -0.003 0.000 0.810 128 A HN 0.501 nan 8.150 nan 0.000 0.446 129 T N -5.286 109.267 114.554 -0.001 0.000 3.051 129 T HA 0.392 4.741 4.350 -0.000 0.000 0.255 129 T C 1.500 176.214 174.700 0.024 0.000 1.085 129 T CA 1.185 63.277 62.100 -0.013 0.000 1.109 129 T CB 0.126 68.966 68.868 -0.047 0.000 0.921 129 T HN 1.675 nan 8.240 nan 0.000 0.488 130 G N 1.126 109.963 108.800 0.062 0.000 2.175 130 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 130 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 130 G C 0.605 175.558 174.900 0.087 0.000 0.982 130 G CA 0.454 45.626 45.100 0.120 0.000 0.641 130 G HN 0.543 nan 8.290 nan 0.000 0.527 131 E N -1.271 118.942 120.200 0.022 0.000 2.049 131 E HA -0.098 4.251 4.350 -0.000 0.000 0.198 131 E C 0.671 177.343 176.600 0.120 0.000 1.007 131 E CA 1.260 57.648 56.400 -0.019 0.000 0.809 131 E CB 0.067 29.645 29.700 -0.203 0.000 0.749 131 E HN 0.517 nan 8.360 nan 0.000 0.450 132 W N 0.586 121.874 121.300 -0.020 0.000 2.417 132 W HA 0.428 5.088 4.660 -0.000 0.000 0.317 132 W C -0.334 176.103 176.519 -0.136 0.000 1.121 132 W CA -1.023 56.294 57.345 -0.046 0.000 1.208 132 W CB 0.323 29.790 29.460 0.012 0.000 1.253 132 W HN -0.080 nan 8.180 nan 0.000 0.533 133 I N 3.001 123.553 120.570 -0.030 0.000 2.377 133 I HA 0.489 4.659 4.170 -0.000 0.000 0.293 133 I C 0.917 176.840 176.117 -0.324 0.000 0.987 133 I CA -0.564 60.514 61.300 -0.371 0.000 1.185 133 I CB 1.199 38.808 38.000 -0.652 0.000 1.341 133 I HN 0.377 nan 8.210 nan 0.000 0.455 134 G N 4.388 113.019 108.800 -0.281 0.000 2.412 134 G HA2 0.594 4.553 3.960 -0.000 0.000 0.318 134 G HA3 0.594 4.553 3.960 -0.000 0.000 0.318 134 G C -0.571 174.202 174.900 -0.213 0.000 1.146 134 G CA -0.441 44.527 45.100 -0.219 0.000 0.882 134 G HN 0.885 nan 8.290 nan 0.000 0.501 135 C N -0.229 118.925 119.300 -0.243 0.000 3.161 135 C HA 0.917 5.377 4.460 -0.000 0.000 0.330 135 C C -1.039 174.017 174.990 0.111 0.000 1.396 135 C CA -1.564 57.409 59.018 -0.076 0.000 1.536 135 C CB 1.111 28.749 27.740 -0.170 0.000 1.978 135 C HN 0.729 nan 8.230 nan 0.000 0.454 136 F N 0.772 120.753 119.950 0.052 0.000 2.617 136 F HA 0.636 5.162 4.527 -0.001 0.000 0.325 136 F C 0.007 175.936 175.800 0.215 0.000 1.179 136 F CA -0.073 58.022 58.000 0.159 0.000 0.965 136 F CB 1.367 40.491 39.000 0.206 0.000 1.232 136 F HN 1.098 nan 8.300 nan 0.000 0.461 137 G N 6.407 115.151 108.800 -0.093 0.000 2.716 137 G HA2 0.460 4.420 3.960 -0.000 0.000 0.333 137 G HA3 0.460 4.420 3.960 -0.000 0.000 0.333 137 G C -0.716 174.190 174.900 0.010 0.000 1.168 137 G CA -0.246 44.864 45.100 0.017 0.000 1.064 137 G HN 0.721 nan 8.290 nan 0.000 0.479 138 L N 2.202 123.464 121.223 0.065 0.000 2.738 138 L HA 0.432 4.772 4.340 -0.000 0.000 0.175 138 L C 1.399 178.359 176.870 0.151 0.000 1.125 138 L CA 0.827 55.732 54.840 0.109 0.000 0.857 138 L CB -0.051 42.056 42.059 0.080 0.000 1.300 138 L HN 0.288 nan 8.230 nan 0.000 0.499 139 T N 1.843 116.523 114.554 0.209 0.000 2.934 139 T HA 0.163 4.512 4.350 -0.000 0.000 0.306 139 T C -0.198 174.610 174.700 0.179 0.000 1.042 139 T CA 0.252 62.475 62.100 0.206 0.000 1.145 139 T CB 0.229 69.265 68.868 0.279 0.000 0.982 139 T HN 0.241 nan 8.240 nan 0.000 0.544 140 E N 2.276 122.565 120.200 0.148 0.000 2.299 140 E HA 0.452 4.802 4.350 -0.000 0.000 0.265 140 E C -1.923 174.755 176.600 0.130 0.000 0.911 140 E CA -1.880 54.593 56.400 0.121 0.000 0.789 140 E CB 1.124 30.875 29.700 0.085 0.000 1.246 140 E HN 0.459 nan 8.360 nan 0.000 0.427 150 M N 2.185 121.796 119.600 0.020 0.000 2.217 150 M HA 0.488 4.968 4.480 -0.000 0.000 0.354 150 M C 0.287 176.606 176.300 0.033 0.000 1.225 150 M CA -0.089 55.232 55.300 0.035 0.000 1.137 150 M CB 1.363 33.991 32.600 0.047 0.000 1.576 150 M HN 0.044 nan 8.290 nan 0.000 0.461 151 V N 2.753 122.687 119.914 0.033 0.000 2.825 151 V HA -0.011 4.109 4.120 -0.000 0.000 0.246 151 V C 0.941 177.046 176.094 0.020 0.000 1.068 151 V CA 0.957 63.271 62.300 0.024 0.000 1.088 151 V CB 0.051 31.887 31.823 0.021 0.000 0.733 151 V HN 0.974 nan 8.190 nan 0.000 0.468 152 T N 2.422 116.991 114.554 0.024 0.000 2.871 152 T HA 0.178 4.527 4.350 -0.000 0.000 0.296 152 T C 0.074 174.776 174.700 0.003 0.000 0.998 152 T CA 0.575 62.680 62.100 0.007 0.000 1.162 152 T CB 0.451 69.326 68.868 0.012 0.000 0.947 152 T HN 0.302 nan 8.240 nan 0.000 0.536 153 R N 1.106 121.589 120.500 -0.028 0.000 2.740 153 R HA 0.675 5.015 4.340 -0.000 0.000 0.282 153 R C -1.208 175.037 176.300 -0.091 0.000 0.969 153 R CA -0.662 55.421 56.100 -0.029 0.000 0.918 153 R CB 1.301 31.593 30.300 -0.014 0.000 1.175 153 R HN 0.712 nan 8.270 nan 0.000 0.464 154 A N 3.692 126.466 122.820 -0.076 0.000 2.318 154 A HA 0.565 4.885 4.320 -0.000 0.000 0.317 154 A C -0.892 176.706 177.584 0.023 0.000 1.159 154 A CA -0.791 51.164 52.037 -0.136 0.000 0.799 154 A CB 0.994 19.811 19.000 -0.304 0.000 1.194 154 A HN 0.712 nan 8.150 nan 0.000 0.479 155 R N 2.552 123.074 120.500 0.037 0.000 2.387 155 R HA 0.294 4.634 4.340 -0.000 0.000 0.314 155 R C -0.693 175.666 176.300 0.098 0.000 0.958 155 R CA -0.796 55.347 56.100 0.071 0.000 0.846 155 R CB 1.978 32.293 30.300 0.026 0.000 1.147 155 R HN 0.700 nan 8.270 nan 0.000 0.447 156 K N 2.520 122.982 120.400 0.103 0.000 2.484 156 K HA 0.095 4.415 4.320 -0.000 0.000 0.280 156 K C 0.389 176.946 176.600 -0.072 0.000 1.013 156 K CA 0.162 56.419 56.287 -0.050 0.000 1.029 156 K CB 0.332 32.812 32.500 -0.034 0.000 0.902 156 K HN 0.378 nan 8.250 nan 0.000 0.481 157 V N -0.749 119.086 119.914 -0.132 0.000 3.130 157 V HA 0.458 4.578 4.120 -0.000 0.000 0.310 157 V C -2.651 173.418 176.094 -0.041 0.000 1.158 157 V CA -2.755 59.522 62.300 -0.038 0.000 1.029 157 V CB 1.557 33.412 31.823 0.054 0.000 1.057 157 V HN 0.586 nan 8.190 nan 0.000 0.436 158 P HA 0.255 nan 4.420 nan 0.000 0.260 158 P C 0.954 178.293 177.300 0.066 0.000 1.185 158 P CA 1.758 64.856 63.100 -0.003 0.000 0.763 158 P CB 0.555 32.244 31.700 -0.019 0.000 0.776 159 G N 2.245 111.081 108.800 0.059 0.000 2.258 159 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.233 159 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.233 159 G C 0.430 175.416 174.900 0.143 0.000 1.006 159 G CA 0.365 45.568 45.100 0.171 0.000 0.620 159 G HN 0.967 nan 8.290 nan 0.000 0.511 160 G N -1.293 107.482 108.800 -0.042 0.000 2.570 160 G HA2 0.539 4.499 3.960 -0.000 0.000 0.072 160 G HA3 0.539 4.499 3.960 -0.000 0.000 0.072 160 G C -1.133 173.280 174.900 -0.813 0.000 1.030 160 G CA 0.285 45.114 45.100 -0.453 0.000 1.277 160 G HN 0.988 nan 8.290 nan 0.000 0.559 161 Y N -0.083 120.056 120.300 -0.268 0.000 2.534 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.022 175.720 175.900 -0.263 0.000 1.031 161 Y CA -0.523 57.446 58.100 -0.218 0.000 1.022 161 Y CB 2.551 40.858 38.460 -0.254 0.000 1.292 161 Y HN 0.561 nan 8.280 nan 0.000 0.459 162 S N 2.763 118.456 115.700 -0.013 0.000 2.498 162 S HA 0.743 5.212 4.470 -0.000 0.000 0.317 162 S C -1.583 172.949 174.600 -0.113 0.000 1.090 162 S CA -0.412 57.768 58.200 -0.034 0.000 1.089 162 S CB 0.207 63.427 63.200 0.033 0.000 0.997 162 S HN 0.526 nan 8.310 nan 0.000 0.470 163 L N 3.893 125.009 121.223 -0.178 0.000 2.325 163 L HA 0.684 5.024 4.340 -0.000 0.000 0.278 163 L C -0.182 176.603 176.870 -0.143 0.000 1.023 163 L CA 0.093 54.797 54.840 -0.228 0.000 0.811 163 L CB 2.129 43.969 42.059 -0.364 0.000 1.249 163 L HN 0.721 nan 8.230 nan 0.000 0.431 164 S N 0.978 116.608 115.700 -0.116 0.000 2.619 164 S HA 0.926 5.395 4.470 -0.000 0.000 0.280 164 S C -0.373 174.192 174.600 -0.059 0.000 1.150 164 S CA -0.440 57.714 58.200 -0.076 0.000 0.978 164 S CB 1.860 65.029 63.200 -0.052 0.000 1.041 164 S HN 1.047 nan 8.310 nan 0.000 0.485 165 G N 1.183 109.953 108.800 -0.050 0.000 2.352 165 G HA2 0.412 4.372 3.960 -0.000 0.000 0.302 165 G HA3 0.412 4.372 3.960 -0.000 0.000 0.302 165 G C -1.570 173.315 174.900 -0.024 0.000 1.370 165 G CA -0.712 44.371 45.100 -0.028 0.000 0.918 165 G HN 0.639 nan 8.290 nan 0.000 0.610 166 S N 0.082 115.779 115.700 -0.004 0.000 2.503 166 S HA 0.758 5.228 4.470 -0.000 0.000 0.301 166 S C -0.430 174.188 174.600 0.031 0.000 1.087 166 S CA -0.818 57.385 58.200 0.004 0.000 1.042 166 S CB 1.595 64.797 63.200 0.004 0.000 1.043 166 S HN 0.554 nan 8.310 nan 0.000 0.489 167 K N 1.778 122.202 120.400 0.040 0.000 2.156 167 K HA 0.624 4.944 4.320 -0.000 0.000 0.254 167 K C -0.700 175.946 176.600 0.077 0.000 0.950 167 K CA -0.737 55.597 56.287 0.080 0.000 0.849 167 K CB 1.703 34.261 32.500 0.097 0.000 1.100 167 K HN 0.571 nan 8.250 nan 0.000 0.434 168 M N 0.730 120.406 119.600 0.127 0.000 2.457 168 M HA 0.316 4.796 4.480 -0.000 0.000 0.300 168 M C -1.543 174.917 176.300 0.266 0.000 1.141 168 M CA 0.132 55.490 55.300 0.096 0.000 0.901 168 M CB 1.181 33.852 32.600 0.118 0.000 1.687 168 M HN 0.617 nan 8.290 nan 0.000 0.449 169 W N 4.683 126.049 121.300 0.109 0.000 4.754 169 W HA -0.147 4.512 4.660 -0.000 0.000 0.389 169 W C -1.001 175.591 176.519 0.122 0.000 1.497 169 W CA -0.174 57.244 57.345 0.121 0.000 0.851 169 W CB -1.587 27.991 29.460 0.197 0.000 2.661 169 W HN 0.414 nan 8.180 nan 0.000 1.339 170 I N 1.352 122.053 120.570 0.219 0.000 2.287 170 I HA 0.136 4.306 4.170 -0.000 0.000 0.290 170 I C 1.242 177.450 176.117 0.151 0.000 1.069 170 I CA -0.389 61.034 61.300 0.205 0.000 1.237 170 I CB -0.032 38.069 38.000 0.169 0.000 1.418 170 I HN 0.042 nan 8.210 nan 0.000 0.481 171 T N 5.021 119.675 114.554 0.167 0.000 2.916 171 T HA 0.086 4.436 4.350 -0.000 0.000 0.303 171 T C 1.036 175.805 174.700 0.115 0.000 1.025 171 T CA 0.427 62.606 62.100 0.133 0.000 1.142 171 T CB 0.211 69.153 68.868 0.123 0.000 0.947 171 T HN 0.675 nan 8.240 nan 0.000 0.544 172 N N 1.113 119.877 118.700 0.106 0.000 2.972 172 N HA -0.224 4.516 4.740 -0.000 0.000 0.225 172 N C 1.313 176.791 175.510 -0.055 0.000 0.883 172 N CA 1.774 54.855 53.050 0.053 0.000 1.010 172 N CB -1.955 36.545 38.487 0.022 0.000 1.052 172 N HN 0.827 nan 8.380 nan 0.000 0.598 173 S N 0.045 115.728 115.700 -0.027 0.000 2.383 173 S HA 0.051 4.521 4.470 -0.000 0.000 0.227 173 S C -0.893 173.707 174.600 0.000 0.000 1.026 173 S CA 1.294 59.462 58.200 -0.052 0.000 0.981 173 S CB -0.647 62.591 63.200 0.064 0.000 0.818 173 S HN 0.231 nan 8.310 nan 0.000 0.472 174 P HA 0.130 nan 4.420 nan 0.000 0.230 174 P C 1.077 178.396 177.300 0.031 0.000 1.158 174 P CA 0.762 63.881 63.100 0.031 0.000 0.769 174 P CB -0.268 31.437 31.700 0.008 0.000 0.807 175 I N -6.790 113.776 120.570 -0.007 0.000 4.240 175 I HA 0.478 4.648 4.170 -0.000 0.000 0.331 175 I C 0.453 176.509 176.117 -0.103 0.000 1.381 175 I CA -0.777 60.515 61.300 -0.013 0.000 1.136 175 I CB 0.166 38.184 38.000 0.030 0.000 1.137 175 I HN -0.310 nan 8.210 nan 0.000 0.411 176 A N 1.417 124.111 122.820 -0.210 0.000 2.388 176 A HA 0.287 4.607 4.320 -0.000 0.000 0.257 176 A C 0.464 177.843 177.584 -0.341 0.000 1.095 176 A CA -0.107 51.671 52.037 -0.431 0.000 0.791 176 A CB 0.296 18.788 19.000 -0.847 0.000 1.029 176 A HN 0.356 nan 8.150 nan 0.000 0.489 177 D N 0.527 120.733 120.400 -0.322 0.000 2.262 177 D HA 0.096 4.736 4.640 -0.000 0.000 0.212 177 D C 0.004 176.123 176.300 -0.303 0.000 0.964 177 D CA 1.207 55.050 54.000 -0.261 0.000 0.875 177 D CB 0.303 40.902 40.800 -0.335 0.000 0.996 177 D HN 0.256 nan 8.370 nan 0.000 0.497 178 V N 1.554 121.224 119.914 -0.407 0.000 2.487 178 V HA 0.335 4.454 4.120 -0.000 0.000 0.298 178 V C -0.790 175.089 176.094 -0.358 0.000 1.028 178 V CA -0.704 61.426 62.300 -0.282 0.000 0.860 178 V CB 1.556 33.230 31.823 -0.249 0.000 0.991 178 V HN -0.102 nan 8.190 nan 0.000 0.427 179 F N 3.236 123.066 119.950 -0.199 0.000 2.426 179 F HA 0.575 5.102 4.527 -0.001 0.000 0.348 179 F C 0.063 175.738 175.800 -0.208 0.000 1.124 179 F CA -1.025 56.882 58.000 -0.155 0.000 1.008 179 F CB 1.930 40.846 39.000 -0.139 0.000 1.139 179 F HN 0.166 nan 8.300 nan 0.000 0.452 180 V N 5.201 125.085 119.914 -0.050 0.000 2.304 180 V HA 0.357 4.477 4.120 -0.000 0.000 0.269 180 V C -0.300 175.539 176.094 -0.425 0.000 1.036 180 V CA -0.576 61.584 62.300 -0.233 0.000 0.840 180 V CB 1.040 32.795 31.823 -0.114 0.000 1.036 180 V HN 0.516 nan 8.190 nan 0.000 0.466 181 V N 4.237 123.864 119.914 -0.478 0.000 2.513 181 V HA 0.520 4.640 4.120 -0.000 0.000 0.299 181 V C -0.864 174.921 176.094 -0.514 0.000 1.035 181 V CA -0.866 61.211 62.300 -0.373 0.000 0.889 181 V CB 1.991 33.736 31.823 -0.130 0.000 0.988 181 V HN 0.867 nan 8.190 nan 0.000 0.440 182 W N 2.929 124.194 121.300 -0.059 0.000 2.475 182 W HA 0.801 5.461 4.660 -0.000 0.000 0.317 182 W C 0.057 176.600 176.519 0.040 0.000 1.046 182 W CA -0.264 57.063 57.345 -0.030 0.000 1.215 182 W CB 1.836 31.222 29.460 -0.123 0.000 1.335 182 W HN 0.745 nan 8.180 nan 0.000 0.471 183 A N 2.648 125.668 122.820 0.333 0.000 2.587 183 A HA 0.696 5.016 4.320 -0.000 0.000 0.293 183 A C -1.230 176.487 177.584 0.220 0.000 1.087 183 A CA -1.223 50.948 52.037 0.222 0.000 0.692 183 A CB 1.459 20.517 19.000 0.097 0.000 1.291 183 A HN 0.550 nan 8.150 nan 0.000 0.407 184 K N 0.468 120.942 120.400 0.123 0.000 2.258 184 K HA 0.457 4.777 4.320 -0.000 0.000 0.284 184 K C -1.253 175.403 176.600 0.093 0.000 1.051 184 K CA -0.218 56.125 56.287 0.092 0.000 0.923 184 K CB 1.112 33.644 32.500 0.054 0.000 1.046 184 K HN 0.487 nan 8.250 nan 0.000 0.474 185 L N 3.309 124.591 121.223 0.097 0.000 2.333 185 L HA 0.289 4.628 4.340 -0.000 0.000 0.280 185 L C -0.103 176.808 176.870 0.067 0.000 1.004 185 L CA -0.381 54.518 54.840 0.098 0.000 0.820 185 L CB 1.250 43.389 42.059 0.133 0.000 1.247 185 L HN 0.587 nan 8.230 nan 0.000 0.416 189 G N -0.249 108.560 108.800 0.015 0.000 3.192 189 G HA2 0.105 4.064 3.960 -0.000 0.000 0.239 189 G HA3 0.105 4.064 3.960 -0.000 0.000 0.239 189 G C 0.199 175.105 174.900 0.011 0.000 1.084 189 G CA -0.257 44.851 45.100 0.013 0.000 0.784 189 G HN 0.253 nan 8.290 nan 0.000 0.540 190 R N 0.804 121.310 120.500 0.011 0.000 2.340 190 R HA 0.476 4.815 4.340 -0.000 0.000 0.300 190 R C -1.449 174.857 176.300 0.011 0.000 1.069 190 R CA -0.653 55.451 56.100 0.007 0.000 0.984 190 R CB 1.120 31.421 30.300 0.002 0.000 1.003 190 R HN -0.078 nan 8.270 nan 0.000 0.459 191 D N 2.405 122.810 120.400 0.008 0.000 2.412 191 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 191 D C -0.869 175.436 176.300 0.008 0.000 1.093 191 D CA -0.236 53.772 54.000 0.013 0.000 0.850 191 D CB 0.785 41.593 40.800 0.013 0.000 1.046 191 D HN 0.537 nan 8.370 nan 0.000 0.507 192 E N 2.209 122.415 120.200 0.011 0.000 2.336 192 E HA 0.429 4.779 4.350 -0.000 0.000 0.267 192 E C -0.258 176.351 176.600 0.016 0.000 0.906 192 E CA -1.127 55.273 56.400 0.001 0.000 0.781 192 E CB 2.131 31.823 29.700 -0.014 0.000 1.261 192 E HN 0.382 nan 8.360 nan 0.000 0.436 193 I N 2.666 123.243 120.570 0.011 0.000 2.416 193 I HA 0.140 4.310 4.170 -0.000 0.000 0.288 193 I C 0.145 176.292 176.117 0.051 0.000 1.051 193 I CA 0.003 61.335 61.300 0.053 0.000 1.375 193 I CB 0.118 38.138 38.000 0.033 0.000 1.407 193 I HN 0.149 nan 8.210 nan 0.000 0.516 194 R N 4.417 124.952 120.500 0.058 0.000 2.854 194 R HA 0.666 5.006 4.340 -0.000 0.000 0.271 194 R C -0.304 175.815 176.300 -0.301 0.000 0.996 194 R CA -1.032 54.958 56.100 -0.185 0.000 0.961 194 R CB 1.744 31.750 30.300 -0.489 0.000 1.182 194 R HN 0.699 nan 8.270 nan 0.000 0.479 195 G N 0.981 109.364 108.800 -0.695 0.000 2.415 195 G HA2 0.664 4.624 3.960 -0.000 0.000 0.327 195 G HA3 0.664 4.624 3.960 -0.000 0.000 0.327 195 G C -1.198 172.986 174.900 -1.193 0.000 1.182 195 G CA -0.311 44.103 45.100 -1.145 0.000 0.924 195 G HN 0.246 nan 8.290 nan 0.000 0.470 196 F N 0.752 120.355 119.950 -0.578 0.000 2.551 196 F HA 0.505 5.031 4.527 -0.001 0.000 0.316 196 F C 0.256 175.818 175.800 -0.396 0.000 1.089 196 F CA -0.925 56.825 58.000 -0.418 0.000 0.915 196 F CB 2.336 41.120 39.000 -0.360 0.000 1.186 196 F HN 0.186 nan 8.300 nan 0.000 0.456 197 I N 4.262 124.731 120.570 -0.168 0.000 2.315 197 I HA 0.365 4.534 4.170 -0.000 0.000 0.291 197 I C -0.812 175.214 176.117 -0.151 0.000 1.006 197 I CA -0.390 60.760 61.300 -0.250 0.000 1.265 197 I CB 0.923 38.643 38.000 -0.467 0.000 1.387 197 I HN 0.360 nan 8.210 nan 0.000 0.475 198 L N 6.593 127.750 121.223 -0.109 0.000 2.301 198 L HA 0.558 4.897 4.340 -0.000 0.000 0.264 198 L C -0.274 176.607 176.870 0.019 0.000 1.016 198 L CA -0.456 54.333 54.840 -0.086 0.000 0.821 198 L CB 1.709 43.650 42.059 -0.198 0.000 1.346 198 L HN 0.505 nan 8.230 nan 0.000 0.429 199 E N 0.152 120.336 120.200 -0.026 0.000 2.288 199 E HA 0.313 4.663 4.350 -0.000 0.000 0.268 199 E C -1.268 175.344 176.600 0.020 0.000 0.885 199 E CA -1.150 55.262 56.400 0.020 0.000 0.767 199 E CB 2.313 31.985 29.700 -0.047 0.000 1.220 199 E HN 0.300 nan 8.360 nan 0.000 0.427 200 K N 0.495 120.985 120.400 0.150 0.000 2.491 200 K HA 0.024 4.344 4.320 -0.000 0.000 0.279 200 K C 0.675 177.288 176.600 0.023 0.000 1.026 200 K CA 1.478 57.841 56.287 0.127 0.000 1.070 200 K CB -0.061 32.518 32.500 0.131 0.000 0.887 200 K HN 0.810 nan 8.250 nan 0.000 0.481 201 G N 2.713 111.506 108.800 -0.012 0.000 2.253 201 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.209 201 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.209 201 G C 0.212 175.094 174.900 -0.030 0.000 0.997 201 G CA -0.139 44.955 45.100 -0.010 0.000 0.640 201 G HN 0.796 nan 8.290 nan 0.000 0.496 202 C N 2.949 122.211 119.300 -0.063 0.000 2.633 202 C HA 0.516 4.976 4.460 -0.000 0.000 0.415 202 C C 1.276 176.227 174.990 -0.066 0.000 1.393 202 C CA -0.288 58.695 59.018 -0.058 0.000 1.700 202 C CB -0.906 26.770 27.740 -0.106 0.000 2.541 202 C HN 0.434 nan 8.230 nan 0.000 0.603 203 K N 4.011 124.397 120.400 -0.024 0.000 2.451 203 K HA 0.394 4.714 4.320 -0.000 0.000 0.280 203 K C 1.274 177.849 176.600 -0.041 0.000 1.020 203 K CA 1.334 57.604 56.287 -0.029 0.000 1.008 203 K CB 0.339 32.831 32.500 -0.013 0.000 0.917 203 K HN 1.179 nan 8.250 nan 0.000 0.478 204 G N 2.247 111.011 108.800 -0.059 0.000 2.195 204 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 204 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 204 G C -0.579 174.255 174.900 -0.111 0.000 0.990 204 G CA -0.211 44.847 45.100 -0.070 0.000 0.639 204 G HN 0.468 nan 8.290 nan 0.000 0.514 205 L N 1.994 123.128 121.223 -0.149 0.000 2.272 205 L HA 0.869 5.209 4.340 -0.000 0.000 0.289 205 L C 0.039 176.797 176.870 -0.186 0.000 1.032 205 L CA -0.412 54.289 54.840 -0.231 0.000 0.810 205 L CB 1.794 43.625 42.059 -0.380 0.000 1.205 205 L HN 0.174 nan 8.230 nan 0.000 0.422 206 S N 3.443 119.053 115.700 -0.150 0.000 2.568 206 S HA 0.894 5.364 4.470 -0.000 0.000 0.302 206 S C -0.303 174.267 174.600 -0.051 0.000 1.082 206 S CA -0.070 58.080 58.200 -0.084 0.000 1.009 206 S CB 1.648 64.814 63.200 -0.057 0.000 1.069 206 S HN 0.894 nan 8.310 nan 0.000 0.500 207 A N 4.116 126.942 122.820 0.010 0.000 3.308 207 A HA 0.485 4.804 4.320 -0.000 0.000 0.275 207 A C -2.817 174.781 177.584 0.023 0.000 0.950 207 A CA -1.147 50.931 52.037 0.069 0.000 0.987 207 A CB 0.044 19.171 19.000 0.212 0.000 1.146 207 A HN 0.582 nan 8.150 nan 0.000 0.488 208 P HA 0.207 nan 4.420 nan 0.000 0.264 208 P C 0.413 177.659 177.300 -0.090 0.000 1.183 208 P CA 0.654 63.727 63.100 -0.045 0.000 0.763 208 P CB 0.718 32.384 31.700 -0.056 0.000 0.807 209 A N 3.854 126.602 122.820 -0.121 0.000 2.332 209 A HA 0.492 4.812 4.320 -0.000 0.000 0.258 209 A C 0.158 177.509 177.584 -0.388 0.000 1.087 209 A CA -0.400 51.498 52.037 -0.233 0.000 0.802 209 A CB -0.008 18.846 19.000 -0.244 0.000 1.042 209 A HN 0.534 nan 8.150 nan 0.000 0.489 210 I N 1.497 121.789 120.570 -0.462 0.000 2.436 210 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 210 I C -0.652 175.191 176.117 -0.457 0.000 1.010 210 I CA -0.401 60.615 61.300 -0.473 0.000 1.098 210 I CB 1.491 39.182 38.000 -0.515 0.000 1.266 210 I HN 0.665 nan 8.210 nan 0.000 0.434 211 H N 3.760 122.792 119.070 -0.063 0.000 2.616 211 H HA 0.541 5.096 4.556 -0.000 0.000 0.353 211 H C 0.798 176.126 175.328 0.000 0.000 1.170 211 H CA -0.352 55.682 56.048 -0.023 0.000 1.212 211 H CB 2.109 31.860 29.762 -0.018 0.000 1.653 211 H HN 0.829 nan 8.280 nan 0.000 0.537 212 G N 1.275 110.162 108.800 0.145 0.000 2.179 212 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 212 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 212 G C 0.138 175.090 174.900 0.087 0.000 0.990 212 G CA -0.227 44.927 45.100 0.090 0.000 0.646 212 G HN 0.502 nan 8.290 nan 0.000 0.517 213 K N 0.157 120.628 120.400 0.117 0.000 2.591 213 K HA 0.227 4.547 4.320 -0.000 0.000 0.280 213 K C 1.431 178.051 176.600 0.034 0.000 0.964 213 K CA 0.480 56.848 56.287 0.135 0.000 1.014 213 K CB 1.258 33.847 32.500 0.148 0.000 0.877 213 K HN 0.062 nan 8.250 nan 0.000 0.502 214 V N 1.501 121.448 119.914 0.056 0.000 2.492 214 V HA -0.006 4.113 4.120 -0.000 0.000 0.241 214 V C 1.105 177.246 176.094 0.078 0.000 1.041 214 V CA 1.633 63.956 62.300 0.038 0.000 1.057 214 V CB 0.197 32.055 31.823 0.059 0.000 0.711 214 V HN 0.939 nan 8.190 nan 0.000 0.468 215 G N -1.617 107.247 108.800 0.107 0.000 2.537 215 G HA2 0.531 4.490 3.960 -0.000 0.000 0.323 215 G HA3 0.531 4.490 3.960 -0.000 0.000 0.323 215 G C -0.095 174.889 174.900 0.140 0.000 1.207 215 G CA -0.679 44.529 45.100 0.179 0.000 0.976 215 G HN 0.258 nan 8.290 nan 0.000 0.487 216 L N -1.067 120.268 121.223 0.187 0.000 3.843 216 L HA -0.232 4.108 4.340 -0.000 0.000 0.411 216 L C 2.070 178.985 176.870 0.076 0.000 1.205 216 L CA 0.185 55.090 54.840 0.108 0.000 0.945 216 L CB -0.953 41.125 42.059 0.032 0.000 1.929 216 L HN 0.665 nan 8.230 nan 0.000 0.934 217 R N 0.229 120.760 120.500 0.051 0.000 2.285 217 R HA 0.013 4.353 4.340 -0.000 0.000 0.213 217 R C 2.135 178.393 176.300 -0.070 0.000 1.068 217 R CA 1.015 57.009 56.100 -0.177 0.000 1.004 217 R CB -0.068 29.769 30.300 -0.770 0.000 0.873 217 R HN 0.574 nan 8.270 nan 0.000 0.467 218 A N 1.072 123.903 122.820 0.018 0.000 2.119 218 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 218 A C 1.088 178.671 177.584 -0.003 0.000 1.152 218 A CA 0.512 52.515 52.037 -0.057 0.000 0.708 218 A CB 0.057 18.827 19.000 -0.385 0.000 0.805 218 A HN 0.290 nan 8.150 nan 0.000 0.460 219 S N -1.012 114.701 115.700 0.021 0.000 2.593 219 S HA 0.695 5.165 4.470 -0.000 0.000 0.297 219 S C -0.422 174.235 174.600 0.095 0.000 1.112 219 S CA -0.759 57.492 58.200 0.085 0.000 1.043 219 S CB 1.254 64.504 63.200 0.082 0.000 1.054 219 S HN 0.401 nan 8.310 nan 0.000 0.516 220 I N 1.816 122.459 120.570 0.122 0.000 2.460 220 I HA 0.548 4.717 4.170 -0.000 0.000 0.298 220 I C -0.763 175.402 176.117 0.080 0.000 0.989 220 I CA -0.087 61.270 61.300 0.095 0.000 1.173 220 I CB 1.857 39.917 38.000 0.101 0.000 1.338 220 I HN 0.788 nan 8.210 nan 0.000 0.456 221 T N 4.803 119.378 114.554 0.034 0.000 2.916 221 T HA 0.826 5.176 4.350 -0.000 0.000 0.292 221 T C -0.215 174.436 174.700 -0.081 0.000 1.055 221 T CA -0.528 61.587 62.100 0.025 0.000 1.009 221 T CB 1.851 70.782 68.868 0.104 0.000 1.118 221 T HN 0.901 nan 8.240 nan 0.000 0.497 222 G N 0.564 109.317 108.800 -0.077 0.000 2.650 222 G HA2 0.635 4.595 3.960 -0.000 0.000 0.310 222 G HA3 0.635 4.595 3.960 -0.000 0.000 0.310 222 G C -1.657 173.179 174.900 -0.108 0.000 1.270 222 G CA -0.705 44.315 45.100 -0.134 0.000 0.810 222 G HN 0.606 nan 8.290 nan 0.000 0.493 223 E N -1.191 118.960 120.200 -0.080 0.000 2.259 223 E HA 0.669 5.019 4.350 -0.000 0.000 0.257 223 E C -0.955 175.667 176.600 0.037 0.000 0.998 223 E CA -0.670 55.708 56.400 -0.037 0.000 0.866 223 E CB 2.569 32.229 29.700 -0.066 0.000 1.220 223 E HN 0.262 nan 8.360 nan 0.000 0.415 224 I N 1.513 122.110 120.570 0.046 0.000 2.439 224 I HA 0.229 4.399 4.170 -0.000 0.000 0.283 224 I C -1.156 174.953 176.117 -0.014 0.000 1.023 224 I CA -0.737 60.590 61.300 0.045 0.000 1.100 224 I CB 1.707 39.763 38.000 0.094 0.000 1.238 224 I HN 0.120 nan 8.210 nan 0.000 0.445 225 V N 7.443 127.330 119.914 -0.045 0.000 2.398 225 V HA 0.486 4.606 4.120 -0.000 0.000 0.286 225 V C -0.104 175.939 176.094 -0.084 0.000 1.026 225 V CA -0.479 61.789 62.300 -0.053 0.000 0.868 225 V CB 1.708 33.504 31.823 -0.045 0.000 0.982 225 V HN 0.465 nan 8.190 nan 0.000 0.443 226 L N 4.313 125.489 121.223 -0.080 0.000 2.341 226 L HA 0.664 5.004 4.340 -0.000 0.000 0.278 226 L C -0.622 176.202 176.870 -0.076 0.000 1.005 226 L CA -0.254 54.526 54.840 -0.100 0.000 0.818 226 L CB 2.011 43.997 42.059 -0.122 0.000 1.259 226 L HN 0.542 nan 8.230 nan 0.000 0.418 227 D N 3.866 124.222 120.400 -0.074 0.000 2.364 227 D HA 0.143 4.783 4.640 -0.000 0.000 0.251 227 D C -0.238 176.033 176.300 -0.048 0.000 1.282 227 D CA -0.268 53.700 54.000 -0.053 0.000 0.927 227 D CB 0.647 41.420 40.800 -0.044 0.000 1.267 227 D HN 0.645 nan 8.370 nan 0.000 0.531 228 E N 0.483 120.654 120.200 -0.048 0.000 2.360 228 E HA -0.215 4.135 4.350 -0.000 0.000 0.238 228 E C -0.338 176.250 176.600 -0.020 0.000 1.186 228 E CA 0.629 57.011 56.400 -0.031 0.000 0.719 228 E CB -0.997 28.694 29.700 -0.015 0.000 1.236 228 E HN 0.502 nan 8.360 nan 0.000 0.386 229 A N 1.113 123.897 122.820 -0.060 0.000 2.484 229 A HA 0.287 4.607 4.320 -0.000 0.000 0.268 229 A C -0.054 177.512 177.584 -0.030 0.000 1.114 229 A CA -0.086 51.914 52.037 -0.060 0.000 0.780 229 A CB -0.074 18.845 19.000 -0.136 0.000 1.061 229 A HN 0.334 nan 8.150 nan 0.000 0.505 230 F N 4.102 123.996 119.950 -0.093 0.000 2.495 230 F HA 0.452 4.978 4.527 -0.000 0.000 0.365 230 F C -0.233 175.529 175.800 -0.063 0.000 1.090 230 F CA 0.156 58.114 58.000 -0.070 0.000 1.235 230 F CB 0.782 39.750 39.000 -0.053 0.000 1.119 230 F HN 0.292 nan 8.300 nan 0.000 0.562 231 V N 8.319 127.695 119.914 -0.896 0.000 2.483 231 V HA 0.357 4.477 4.120 -0.000 0.000 0.297 231 V C -2.083 173.418 176.094 -0.987 0.000 1.027 231 V CA -1.739 60.153 62.300 -0.681 0.000 0.855 231 V CB 1.543 33.162 31.823 -0.340 0.000 0.995 231 V HN 0.675 nan 8.190 nan 0.000 0.424 232 P HA 0.163 nan 4.420 nan 0.000 0.273 232 P C 0.628 177.900 177.300 -0.048 0.000 1.250 232 P CA -0.078 62.815 63.100 -0.345 0.000 0.793 232 P CB 1.268 32.987 31.700 0.031 0.000 1.011 233 E N 0.896 121.114 120.200 0.029 0.000 2.118 233 E HA -0.192 4.157 4.350 -0.000 0.000 0.195 233 E C 1.538 178.214 176.600 0.127 0.000 0.992 233 E CA 1.305 57.775 56.400 0.116 0.000 0.804 233 E CB -0.221 29.513 29.700 0.056 0.000 0.741 233 E HN 0.589 nan 8.360 nan 0.000 0.458 234 E N -0.051 120.203 120.200 0.090 0.000 2.516 234 E HA -0.099 4.251 4.350 -0.000 0.000 0.199 234 E C 0.506 177.155 176.600 0.082 0.000 1.069 234 E CA 0.451 56.901 56.400 0.084 0.000 0.876 234 E CB -0.104 29.651 29.700 0.091 0.000 0.843 234 E HN 0.041 nan 8.360 nan 0.000 0.530 235 N N 0.559 119.302 118.700 0.072 0.000 2.184 235 N HA 0.224 4.963 4.740 -0.000 0.000 0.206 235 N C -0.226 175.275 175.510 -0.014 0.000 1.151 235 N CA -0.202 52.870 53.050 0.035 0.000 0.878 235 N CB 0.911 39.412 38.487 0.023 0.000 1.014 235 N HN 0.243 nan 8.380 nan 0.000 0.512 236 I N 1.368 121.918 120.570 -0.033 0.000 2.395 236 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 236 I C -0.560 175.384 176.117 -0.288 0.000 1.023 236 I CA -0.736 60.393 61.300 -0.285 0.000 1.350 236 I CB 0.690 38.485 38.000 -0.342 0.000 1.409 236 I HN -0.230 nan 8.210 nan 0.000 0.507 237 L N 11.182 132.168 121.223 -0.396 0.000 2.638 237 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 237 L C -1.410 175.302 176.870 -0.263 0.000 1.147 237 L CA -1.314 53.374 54.840 -0.252 0.000 0.941 237 L CB -0.208 41.725 42.059 -0.211 0.000 1.251 237 L HN 0.492 nan 8.230 nan 0.000 0.479 238 P HA -0.085 nan 4.420 nan 0.000 0.225 238 P C 0.351 177.384 177.300 -0.445 0.000 1.156 238 P CA 1.143 63.975 63.100 -0.446 0.000 0.787 238 P CB 0.169 31.475 31.700 -0.657 0.000 0.802 239 H N -1.446 117.629 119.070 0.008 0.000 2.503 239 H HA 0.488 5.043 4.556 -0.000 0.000 0.296 239 H C -0.323 174.998 175.328 -0.012 0.000 1.097 239 H CA -0.453 55.619 56.048 0.040 0.000 1.055 239 H CB 0.430 30.253 29.762 0.101 0.000 1.580 239 H HN -0.122 nan 8.280 nan 0.000 0.546 240 V N 1.195 121.062 119.914 -0.078 0.000 3.000 240 V HA 0.337 4.457 4.120 -0.000 0.000 0.300 240 V C -1.765 174.218 176.094 -0.185 0.000 1.251 240 V CA -0.803 61.341 62.300 -0.260 0.000 0.972 240 V CB 2.225 33.560 31.823 -0.812 0.000 1.065 240 V HN 0.252 nan 8.190 nan 0.000 0.431 241 K N 4.062 124.367 120.400 -0.158 0.000 2.502 241 K HA 0.805 5.125 4.320 -0.000 0.000 0.257 241 K C 0.084 176.620 176.600 -0.106 0.000 0.938 241 K CA -0.162 56.060 56.287 -0.107 0.000 0.819 241 K CB 2.166 34.621 32.500 -0.074 0.000 1.333 241 K HN 1.547 nan 8.250 nan 0.000 0.434 242 G N 0.847 109.599 108.800 -0.081 0.000 2.698 242 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.233 242 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.233 242 G C 0.430 175.253 174.900 -0.128 0.000 1.352 242 G CA -0.308 44.742 45.100 -0.085 0.000 0.879 242 G HN 0.404 nan 8.290 nan 0.000 0.567 243 L N 0.519 121.672 121.223 -0.116 0.000 2.137 243 L HA -0.118 4.221 4.340 -0.000 0.000 0.213 243 L C 3.033 179.854 176.870 -0.082 0.000 1.085 243 L CA 2.789 57.555 54.840 -0.122 0.000 0.760 243 L CB -1.061 40.922 42.059 -0.126 0.000 0.893 243 L HN 0.734 nan 8.230 nan 0.000 0.434 244 R N -0.539 119.919 120.500 -0.070 0.000 2.134 244 R HA -0.221 4.118 4.340 -0.000 0.000 0.248 244 R C 2.182 178.421 176.300 -0.101 0.000 1.143 244 R CA 1.750 57.840 56.100 -0.017 0.000 0.957 244 R CB -0.671 29.590 30.300 -0.065 0.000 0.867 244 R HN 0.471 nan 8.270 nan 0.000 0.441 245 G N 0.716 109.304 108.800 -0.354 0.000 2.604 245 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.216 245 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.216 245 G C -1.014 173.624 174.900 -0.437 0.000 1.265 245 G CA 0.848 45.635 45.100 -0.521 0.000 0.804 245 G HN 0.355 nan 8.290 nan 0.000 0.579 246 P HA -0.111 nan 4.420 nan 0.000 0.216 246 P C 1.540 178.819 177.300 -0.034 0.000 1.150 246 P CA 0.782 63.473 63.100 -0.682 0.000 0.837 246 P CB -0.104 31.143 31.700 -0.755 0.000 0.786 247 F N 0.005 119.875 119.950 -0.133 0.000 2.293 247 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 247 F C 1.892 177.727 175.800 0.058 0.000 1.089 247 F CA 1.323 59.310 58.000 -0.021 0.000 1.377 247 F CB -1.016 37.961 39.000 -0.039 0.000 1.051 247 F HN -0.179 nan 8.300 nan 0.000 0.511 248 T N -0.077 114.458 114.554 -0.032 0.000 2.788 248 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 248 T C 2.179 176.866 174.700 -0.021 0.000 1.044 248 T CA 1.662 63.749 62.100 -0.022 0.000 1.139 248 T CB -0.990 68.073 68.868 0.324 0.000 0.867 248 T HN 0.400 nan 8.240 nan 0.000 0.454 249 C N 1.107 120.460 119.300 0.089 0.000 2.436 249 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 249 C C 2.697 177.642 174.990 -0.076 0.000 1.241 249 C CA 0.278 59.333 59.018 0.062 0.000 1.721 249 C CB -1.461 26.406 27.740 0.212 0.000 2.043 249 C HN 0.508 nan 8.230 nan 0.000 0.472 250 L N 1.448 122.618 121.223 -0.089 0.000 2.042 250 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 250 L C 2.417 179.224 176.870 -0.105 0.000 1.076 250 L CA 2.016 56.813 54.840 -0.073 0.000 0.749 250 L CB -0.843 41.245 42.059 0.047 0.000 0.893 250 L HN 0.459 nan 8.230 nan 0.000 0.432 251 N N -0.630 117.896 118.700 -0.289 0.000 2.188 251 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 251 N C 2.013 177.485 175.510 -0.063 0.000 1.018 251 N CA 1.412 54.295 53.050 -0.278 0.000 0.858 251 N CB -0.012 38.126 38.487 -0.581 0.000 0.989 251 N HN 0.132 nan 8.380 nan 0.000 0.426 252 S N -0.811 114.882 115.700 -0.012 0.000 2.356 252 S HA -0.025 4.444 4.470 -0.000 0.000 0.223 252 S C 1.942 176.703 174.600 0.268 0.000 1.032 252 S CA 1.288 59.579 58.200 0.152 0.000 1.005 252 S CB -0.655 62.637 63.200 0.153 0.000 0.867 252 S HN 0.514 nan 8.310 nan 0.000 0.449 253 A N 1.473 124.384 122.820 0.153 0.000 1.902 253 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 253 A C 2.200 179.859 177.584 0.124 0.000 1.181 253 A CA 1.441 53.569 52.037 0.151 0.000 0.623 253 A CB -0.632 18.393 19.000 0.043 0.000 0.818 253 A HN 0.595 nan 8.150 nan 0.000 0.443 254 R N -2.153 118.406 120.500 0.097 0.000 2.127 254 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 254 R C 2.090 178.430 176.300 0.068 0.000 1.134 254 R CA 1.745 57.886 56.100 0.070 0.000 0.975 254 R CB -0.509 29.827 30.300 0.059 0.000 0.865 254 R HN 0.757 nan 8.270 nan 0.000 0.447 255 Y N 0.348 120.653 120.300 0.009 0.000 2.145 255 Y HA -0.144 4.406 4.550 -0.000 0.000 0.286 255 Y C 2.292 178.207 175.900 0.024 0.000 1.145 255 Y CA 1.782 59.900 58.100 0.030 0.000 1.148 255 Y CB -0.595 37.901 38.460 0.061 0.000 0.981 255 Y HN 0.038 nan 8.280 nan 0.000 0.507 256 G N 0.384 109.100 108.800 -0.140 0.000 2.422 256 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 256 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 256 G C 1.659 176.459 174.900 -0.167 0.000 1.146 256 G CA 1.227 46.078 45.100 -0.415 0.000 0.769 256 G HN 0.519 nan 8.290 nan 0.000 0.547 257 I N 1.259 121.789 120.570 -0.067 0.000 2.315 257 I HA -0.128 4.041 4.170 -0.000 0.000 0.248 257 I C 3.274 179.356 176.117 -0.058 0.000 1.117 257 I CA 0.755 62.039 61.300 -0.027 0.000 1.404 257 I CB -0.187 37.821 38.000 0.012 0.000 1.071 257 I HN 0.236 nan 8.210 nan 0.000 0.419 258 A N 0.531 123.285 122.820 -0.110 0.000 1.873 258 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 258 A C 2.016 179.478 177.584 -0.204 0.000 1.193 258 A CA 1.797 53.724 52.037 -0.182 0.000 0.629 258 A CB -1.198 17.653 19.000 -0.247 0.000 0.826 258 A HN 0.529 nan 8.150 nan 0.000 0.447 259 W N -0.445 120.653 121.300 -0.337 0.000 2.379 259 W HA 0.069 4.728 4.660 -0.000 0.000 0.307 259 W C 2.615 179.028 176.519 -0.176 0.000 1.200 259 W CA 1.254 58.432 57.345 -0.278 0.000 1.297 259 W CB -0.708 28.531 29.460 -0.369 0.000 1.140 259 W HN 0.387 nan 8.180 nan 0.000 0.507 260 G N 0.230 109.079 108.800 0.082 0.000 2.459 260 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.217 260 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.217 260 G C 1.651 176.567 174.900 0.027 0.000 1.183 260 G CA 1.712 46.842 45.100 0.051 0.000 0.776 260 G HN 0.320 nan 8.290 nan 0.000 0.552 261 A N 0.414 123.232 122.820 -0.003 0.000 1.978 261 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 261 A C 2.434 179.994 177.584 -0.041 0.000 1.170 261 A CA 1.387 53.413 52.037 -0.019 0.000 0.636 261 A CB -0.373 18.609 19.000 -0.029 0.000 0.810 261 A HN 0.386 nan 8.150 nan 0.000 0.448 262 L N -0.991 120.203 121.223 -0.049 0.000 2.141 262 L HA -0.098 4.241 4.340 -0.000 0.000 0.209 262 L C 2.766 179.625 176.870 -0.019 0.000 1.094 262 L CA 0.875 55.680 54.840 -0.058 0.000 0.763 262 L CB -0.657 41.337 42.059 -0.108 0.000 0.908 262 L HN 0.501 nan 8.230 nan 0.000 0.437 263 G N -0.417 108.392 108.800 0.016 0.000 2.402 263 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 263 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 263 G C 1.795 176.654 174.900 -0.068 0.000 1.162 263 G CA 0.728 45.839 45.100 0.019 0.000 0.777 263 G HN 0.443 nan 8.290 nan 0.000 0.539 264 A N 1.294 124.053 122.820 -0.103 0.000 1.908 264 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 264 A C 2.824 180.212 177.584 -0.326 0.000 1.181 264 A CA 2.398 54.255 52.037 -0.299 0.000 0.627 264 A CB -0.849 18.071 19.000 -0.134 0.000 0.818 264 A HN 0.783 nan 8.150 nan 0.000 0.445 265 A N -0.300 122.428 122.820 -0.154 0.000 1.877 265 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 265 A C 1.919 179.473 177.584 -0.049 0.000 1.186 265 A CA 1.695 53.673 52.037 -0.098 0.000 0.620 265 A CB -0.595 18.361 19.000 -0.073 0.000 0.822 265 A HN 0.639 nan 8.150 nan 0.000 0.443 266 E N -0.047 120.125 120.200 -0.047 0.000 2.058 266 E HA -0.153 4.196 4.350 -0.000 0.000 0.194 266 E C 2.374 178.783 176.600 -0.318 0.000 0.997 266 E CA 1.466 57.808 56.400 -0.097 0.000 0.801 266 E CB -0.201 29.446 29.700 -0.090 0.000 0.746 266 E HN 0.596 nan 8.360 nan 0.000 0.450 267 S N 0.523 116.092 115.700 -0.218 0.000 2.353 267 S HA -0.217 4.253 4.470 -0.000 0.000 0.222 267 S C 2.255 176.808 174.600 -0.078 0.000 1.035 267 S CA 1.262 59.380 58.200 -0.137 0.000 1.025 267 S CB -0.502 62.607 63.200 -0.152 0.000 0.902 267 S HN 0.405 nan 8.310 nan 0.000 0.440 268 C N 0.374 119.601 119.300 -0.121 0.000 2.398 268 C HA -0.136 4.323 4.460 -0.000 0.000 0.276 268 C C 2.289 177.341 174.990 0.103 0.000 1.222 268 C CA 0.535 59.550 59.018 -0.005 0.000 1.746 268 C CB -1.597 26.127 27.740 -0.027 0.000 2.039 268 C HN 0.855 nan 8.230 nan 0.000 0.470 269 W N 1.449 122.685 121.300 -0.106 0.000 2.318 269 W HA -0.164 4.496 4.660 -0.000 0.000 0.313 269 W C 2.414 178.980 176.519 0.078 0.000 1.221 269 W CA 1.922 59.241 57.345 -0.043 0.000 1.266 269 W CB -1.200 28.212 29.460 -0.080 0.000 1.150 269 W HN 0.550 nan 8.180 nan 0.000 0.496 270 H N -0.972 118.056 119.070 -0.071 0.000 2.395 270 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 270 H C 2.328 177.614 175.328 -0.071 0.000 1.070 270 H CA 1.588 57.513 56.048 -0.205 0.000 1.356 270 H CB -0.177 29.509 29.762 -0.127 0.000 1.401 270 H HN 0.109 nan 8.280 nan 0.000 0.524 271 I N 0.695 121.337 120.570 0.120 0.000 2.394 271 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 271 I C 2.660 178.820 176.117 0.072 0.000 1.136 271 I CA 0.694 62.043 61.300 0.083 0.000 1.425 271 I CB -0.198 37.842 38.000 0.067 0.000 1.079 271 I HN 0.309 nan 8.210 nan 0.000 0.425 272 A N 0.867 123.733 122.820 0.078 0.000 1.854 272 A HA -0.196 4.124 4.320 -0.000 0.000 0.214 272 A C 2.460 180.113 177.584 0.114 0.000 1.192 272 A CA 1.317 53.403 52.037 0.083 0.000 0.611 272 A CB -0.594 18.470 19.000 0.107 0.000 0.832 272 A HN 0.286 nan 8.150 nan 0.000 0.442 273 R N -0.807 119.740 120.500 0.079 0.000 2.094 273 R HA -0.267 4.073 4.340 -0.000 0.000 0.239 273 R C 2.410 178.688 176.300 -0.037 0.000 1.137 273 R CA 2.265 58.356 56.100 -0.016 0.000 0.943 273 R CB -0.370 29.817 30.300 -0.190 0.000 0.850 273 R HN 0.507 nan 8.270 nan 0.000 0.433 274 Q N -0.199 119.587 119.800 -0.022 0.000 2.030 274 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 274 Q C 1.836 177.848 176.000 0.021 0.000 0.986 274 Q CA 2.246 58.041 55.803 -0.015 0.000 0.843 274 Q CB -0.787 27.953 28.738 0.003 0.000 0.904 274 Q HN 0.519 nan 8.270 nan 0.000 0.420 275 Y N 0.007 120.273 120.300 -0.056 0.000 2.096 275 Y HA -0.300 4.250 4.550 -0.000 0.000 0.278 275 Y C 2.000 177.862 175.900 -0.063 0.000 1.192 275 Y CA 2.389 60.450 58.100 -0.064 0.000 1.143 275 Y CB -0.300 38.116 38.460 -0.072 0.000 0.963 275 Y HN 0.157 nan 8.280 nan 0.000 0.505 276 V N -3.240 116.719 119.914 0.075 0.000 2.788 276 V HA -0.126 3.994 4.120 -0.000 0.000 0.251 276 V C 2.087 178.136 176.094 -0.076 0.000 1.068 276 V CA 1.095 63.393 62.300 -0.004 0.000 1.090 276 V CB -0.882 30.977 31.823 0.060 0.000 0.710 276 V HN 0.297 nan 8.190 nan 0.000 0.467 277 L N 1.334 122.511 121.223 -0.077 0.000 2.042 277 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 277 L C 2.251 179.052 176.870 -0.115 0.000 1.076 277 L CA 2.088 56.873 54.840 -0.093 0.000 0.749 277 L CB -1.225 40.778 42.059 -0.094 0.000 0.893 277 L HN 0.359 nan 8.230 nan 0.000 0.432 278 D N -1.439 118.870 120.400 -0.152 0.000 2.137 278 D HA -0.012 4.628 4.640 -0.000 0.000 0.202 278 D C 1.047 177.206 176.300 -0.236 0.000 0.970 278 D CA 0.653 54.545 54.000 -0.180 0.000 0.837 278 D CB 0.188 40.875 40.800 -0.188 0.000 0.981 278 D HN 0.096 nan 8.370 nan 0.000 0.475 279 R N 1.178 121.466 120.500 -0.352 0.000 2.500 279 R HA 0.439 4.778 4.340 -0.000 0.000 0.277 279 R C 0.280 176.440 176.300 -0.233 0.000 1.026 279 R CA -0.205 55.671 56.100 -0.373 0.000 1.058 279 R CB 1.290 31.193 30.300 -0.660 0.000 1.078 279 R HN 0.024 nan 8.270 nan 0.000 0.509 280 K N 1.723 122.004 120.400 -0.199 0.000 2.375 280 K HA 0.363 4.682 4.320 -0.000 0.000 0.249 280 K C -0.690 175.787 176.600 -0.205 0.000 0.942 280 K CA -0.790 55.402 56.287 -0.158 0.000 0.806 280 K CB 2.665 35.092 32.500 -0.120 0.000 1.227 280 K HN 0.403 nan 8.250 nan 0.000 0.430 281 Q N 1.595 121.258 119.800 -0.229 0.000 2.285 281 Q HA 0.300 4.640 4.340 -0.000 0.000 0.269 281 Q C -1.283 174.512 176.000 -0.341 0.000 1.030 281 Q CA -0.602 54.914 55.803 -0.480 0.000 0.788 281 Q CB 0.943 29.339 28.738 -0.570 0.000 1.266 281 Q HN 0.570 nan 8.270 nan 0.000 0.438 282 F N 2.349 122.291 119.950 -0.013 0.000 3.039 282 F HA -0.270 4.257 4.527 -0.001 0.000 0.287 282 F C 1.050 176.842 175.800 -0.014 0.000 0.956 282 F CA 1.313 59.307 58.000 -0.011 0.000 0.971 282 F CB -2.105 36.891 39.000 -0.007 0.000 0.943 282 F HN 0.953 nan 8.300 nan 0.000 0.766 283 G N -1.032 107.818 108.800 0.083 0.000 2.454 283 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.225 283 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.225 283 G C 0.599 175.510 174.900 0.018 0.000 1.138 283 G CA 0.121 45.249 45.100 0.047 0.000 0.667 283 G HN 0.610 nan 8.290 nan 0.000 0.512 284 R N 2.000 122.516 120.500 0.027 0.000 2.500 284 R HA 0.509 4.849 4.340 -0.000 0.000 0.277 284 R C -2.318 173.965 176.300 -0.028 0.000 1.026 284 R CA -1.613 54.490 56.100 0.005 0.000 1.058 284 R CB 1.185 31.499 30.300 0.024 0.000 1.078 284 R HN 0.196 nan 8.270 nan 0.000 0.509 285 P HA -0.033 nan 4.420 nan 0.000 0.271 285 P C 0.443 177.713 177.300 -0.051 0.000 1.216 285 P CA -0.262 62.799 63.100 -0.065 0.000 0.776 285 P CB 0.627 32.288 31.700 -0.065 0.000 0.881 286 L N 2.995 124.178 121.223 -0.067 0.000 2.197 286 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 286 L C 2.544 179.407 176.870 -0.011 0.000 1.095 286 L CA 2.055 56.875 54.840 -0.033 0.000 0.764 286 L CB -2.130 39.913 42.059 -0.027 0.000 0.897 286 L HN 0.465 nan 8.230 nan 0.000 0.436 287 A N -1.127 121.677 122.820 -0.026 0.000 2.178 287 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 287 A C 2.384 179.959 177.584 -0.015 0.000 1.157 287 A CA 1.298 53.321 52.037 -0.023 0.000 0.689 287 A CB -0.564 18.408 19.000 -0.047 0.000 0.787 287 A HN 0.379 nan 8.150 nan 0.000 0.465 288 A N -0.321 122.493 122.820 -0.010 0.000 2.119 288 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 288 A C 1.160 178.750 177.584 0.010 0.000 1.152 288 A CA 0.119 52.156 52.037 -0.001 0.000 0.708 288 A CB -0.404 18.598 19.000 0.003 0.000 0.805 288 A HN 0.591 nan 8.150 nan 0.000 0.460 289 N N 0.204 118.913 118.700 0.016 0.000 2.513 289 N HA -0.015 4.725 4.740 -0.000 0.000 0.268 289 N C 0.758 176.280 175.510 0.020 0.000 1.180 289 N CA 0.061 53.127 53.050 0.025 0.000 0.948 289 N CB 0.685 39.192 38.487 0.034 0.000 1.083 289 N HN 0.530 nan 8.380 nan 0.000 0.455 290 Q N 3.404 123.216 119.800 0.019 0.000 2.046 290 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 290 Q C 1.984 177.993 176.000 0.015 0.000 0.975 290 Q CA 1.005 56.816 55.803 0.014 0.000 0.836 290 Q CB 0.123 28.868 28.738 0.012 0.000 0.896 290 Q HN 0.749 nan 8.270 nan 0.000 0.428 291 L N 0.459 121.693 121.223 0.018 0.000 2.042 291 L HA -0.229 4.110 4.340 -0.000 0.000 0.210 291 L C 2.269 179.150 176.870 0.019 0.000 1.076 291 L CA 0.683 55.533 54.840 0.017 0.000 0.749 291 L CB -0.258 41.813 42.059 0.021 0.000 0.893 291 L HN 0.362 nan 8.230 nan 0.000 0.432 292 I N -0.336 120.249 120.570 0.025 0.000 2.208 292 I HA -0.333 3.836 4.170 -0.000 0.000 0.245 292 I C 2.507 178.642 176.117 0.031 0.000 1.097 292 I CA 1.559 62.877 61.300 0.031 0.000 1.363 292 I CB -1.115 36.906 38.000 0.035 0.000 1.051 292 I HN 0.435 nan 8.210 nan 0.000 0.413 293 Q N 0.101 119.915 119.800 0.024 0.000 2.167 293 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 293 Q C 2.199 178.211 176.000 0.021 0.000 0.970 293 Q CA 1.093 56.910 55.803 0.024 0.000 0.855 293 Q CB 0.011 28.759 28.738 0.015 0.000 0.911 293 Q HN 0.491 nan 8.270 nan 0.000 0.438 294 K N 0.874 121.281 120.400 0.012 0.000 2.026 294 K HA -0.154 4.165 4.320 -0.000 0.000 0.208 294 K C 1.997 178.595 176.600 -0.005 0.000 1.048 294 K CA 1.249 57.538 56.287 0.002 0.000 0.929 294 K CB -0.005 32.495 32.500 -0.001 0.000 0.713 294 K HN 0.074 nan 8.250 nan 0.000 0.439 295 K N 0.904 121.305 120.400 0.002 0.000 2.032 295 K HA -0.123 4.196 4.320 -0.000 0.000 0.209 295 K C 2.152 178.745 176.600 -0.011 0.000 1.048 295 K CA 1.291 57.575 56.287 -0.006 0.000 0.927 295 K CB -0.231 32.275 32.500 0.010 0.000 0.712 295 K HN 0.060 nan 8.250 nan 0.000 0.441 296 L N 0.588 121.833 121.223 0.035 0.000 2.083 296 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 296 L C 2.608 179.483 176.870 0.008 0.000 1.083 296 L CA 1.131 56.023 54.840 0.088 0.000 0.752 296 L CB -0.611 41.549 42.059 0.169 0.000 0.899 296 L HN 0.233 nan 8.230 nan 0.000 0.433 297 A N -0.168 122.656 122.820 0.006 0.000 1.933 297 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 297 A C 1.932 179.464 177.584 -0.087 0.000 1.175 297 A CA 1.887 53.915 52.037 -0.014 0.000 0.628 297 A CB -0.459 18.544 19.000 0.005 0.000 0.814 297 A HN 0.348 nan 8.150 nan 0.000 0.444 298 D N -0.116 120.228 120.400 -0.094 0.000 2.097 298 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 298 D C 2.098 178.267 176.300 -0.218 0.000 0.989 298 D CA 1.566 55.493 54.000 -0.122 0.000 0.827 298 D CB -0.437 40.313 40.800 -0.084 0.000 0.966 298 D HN 0.503 nan 8.370 nan 0.000 0.456 299 M N 0.400 119.822 119.600 -0.297 0.000 2.073 299 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 299 M C 2.418 178.232 176.300 -0.810 0.000 1.070 299 M CA 1.583 56.571 55.300 -0.521 0.000 1.103 299 M CB -0.502 31.706 32.600 -0.653 0.000 1.321 299 M HN 0.013 nan 8.290 nan 0.000 0.405 300 Q N -0.031 119.195 119.800 -0.955 0.000 2.061 300 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 300 Q C 1.838 177.594 176.000 -0.407 0.000 0.984 300 Q CA 2.370 57.614 55.803 -0.931 0.000 0.846 300 Q CB -0.062 28.477 28.738 -0.332 0.000 0.902 300 Q HN 0.503 nan 8.270 nan 0.000 0.421 301 T N 1.430 115.841 114.554 -0.238 0.000 2.622 301 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 301 T C 1.580 176.192 174.700 -0.146 0.000 1.047 301 T CA 1.550 63.572 62.100 -0.131 0.000 1.159 301 T CB -0.265 68.549 68.868 -0.089 0.000 0.863 301 T HN 0.351 nan 8.240 nan 0.000 0.422 302 E N 0.814 120.908 120.200 -0.178 0.000 2.077 302 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 302 E C 2.320 178.821 176.600 -0.164 0.000 0.989 302 E CA 0.742 57.051 56.400 -0.152 0.000 0.800 302 E CB -0.491 29.125 29.700 -0.139 0.000 0.746 302 E HN 0.528 nan 8.360 nan 0.000 0.452 303 I N 1.142 121.580 120.570 -0.220 0.000 2.127 303 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 303 I C 2.382 178.422 176.117 -0.128 0.000 1.075 303 I CA 1.503 62.697 61.300 -0.178 0.000 1.334 303 I CB -0.602 37.277 38.000 -0.202 0.000 1.040 303 I HN 0.068 nan 8.210 nan 0.000 0.405 304 T N 1.487 115.969 114.554 -0.119 0.000 2.665 304 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 304 T C 1.911 176.571 174.700 -0.067 0.000 1.035 304 T CA 1.494 63.562 62.100 -0.054 0.000 1.151 304 T CB -0.409 68.453 68.868 -0.011 0.000 0.862 304 T HN 0.242 nan 8.240 nan 0.000 0.438 305 L N 0.555 121.729 121.223 -0.082 0.000 2.072 305 L HA 0.079 4.419 4.340 -0.000 0.000 0.205 305 L C 3.083 179.883 176.870 -0.117 0.000 1.079 305 L CA 1.192 55.983 54.840 -0.082 0.000 0.752 305 L CB -1.064 40.952 42.059 -0.072 0.000 0.906 305 L HN 0.342 nan 8.230 nan 0.000 0.436 306 G N 0.467 109.182 108.800 -0.141 0.000 2.440 306 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 306 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 306 G C 1.638 176.372 174.900 -0.275 0.000 1.154 306 G CA 0.757 45.743 45.100 -0.191 0.000 0.767 306 G HN 0.228 nan 8.290 nan 0.000 0.552 307 L N -0.257 120.814 121.223 -0.255 0.000 2.056 307 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 307 L C 3.199 179.896 176.870 -0.287 0.000 1.078 307 L CA 0.867 55.504 54.840 -0.339 0.000 0.749 307 L CB -0.403 41.547 42.059 -0.181 0.000 0.901 307 L HN 0.137 nan 8.230 nan 0.000 0.433 308 Q N 0.109 119.814 119.800 -0.158 0.000 2.096 308 Q HA -0.166 4.173 4.340 -0.000 0.000 0.204 308 Q C 2.271 178.197 176.000 -0.124 0.000 0.982 308 Q CA 1.809 57.552 55.803 -0.101 0.000 0.850 308 Q CB -0.855 27.848 28.738 -0.058 0.000 0.901 308 Q HN 0.578 nan 8.270 nan 0.000 0.422 309 G N 0.842 109.545 108.800 -0.163 0.000 2.480 309 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 309 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 309 G C 1.605 176.384 174.900 -0.200 0.000 1.200 309 G CA 2.028 47.032 45.100 -0.159 0.000 0.782 309 G HN 0.380 nan 8.290 nan 0.000 0.554 310 V N -0.605 119.070 119.914 -0.398 0.000 2.358 310 V HA -0.029 4.091 4.120 -0.000 0.000 0.246 310 V C 2.646 178.597 176.094 -0.238 0.000 1.047 310 V CA 1.626 63.590 62.300 -0.560 0.000 1.035 310 V CB -0.823 30.172 31.823 -1.381 0.000 0.658 310 V HN 0.224 nan 8.190 nan 0.000 0.452 311 L N 0.824 121.914 121.223 -0.222 0.000 1.970 311 L HA -0.135 4.204 4.340 -0.000 0.000 0.212 311 L C 2.719 179.693 176.870 0.174 0.000 1.071 311 L CA 2.642 57.597 54.840 0.191 0.000 0.751 311 L CB -0.863 41.278 42.059 0.136 0.000 0.889 311 L HN 0.388 nan 8.230 nan 0.000 0.432 312 R N -0.324 120.215 120.500 0.065 0.000 2.103 312 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 312 R C 2.162 178.513 176.300 0.085 0.000 1.142 312 R CA 2.230 58.367 56.100 0.062 0.000 0.960 312 R CB -1.318 28.992 30.300 0.017 0.000 0.858 312 R HN 0.487 nan 8.270 nan 0.000 0.439 313 L N 0.079 121.358 121.223 0.093 0.000 2.042 313 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 313 L C 2.061 179.038 176.870 0.177 0.000 1.076 313 L CA 2.430 57.345 54.840 0.124 0.000 0.749 313 L CB -1.267 40.882 42.059 0.150 0.000 0.893 313 L HN 0.311 nan 8.230 nan 0.000 0.432 314 G N -0.587 108.441 108.800 0.380 0.000 2.459 314 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 314 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 314 G C 1.656 176.670 174.900 0.189 0.000 1.183 314 G CA 0.694 46.026 45.100 0.388 0.000 0.776 314 G HN 0.341 nan 8.290 nan 0.000 0.552 315 R N -0.141 120.465 120.500 0.178 0.000 2.091 315 R HA -0.014 4.326 4.340 -0.000 0.000 0.238 315 R C 2.699 179.041 176.300 0.070 0.000 1.136 315 R CA 1.364 57.535 56.100 0.118 0.000 0.959 315 R CB -0.640 29.721 30.300 0.102 0.000 0.856 315 R HN 0.429 nan 8.270 nan 0.000 0.437 316 M N 0.459 120.085 119.600 0.043 0.000 2.132 316 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 316 M C 2.191 178.470 176.300 -0.034 0.000 1.065 316 M CA 1.663 56.968 55.300 0.007 0.000 1.122 316 M CB -0.250 32.350 32.600 -0.000 0.000 1.365 316 M HN 0.018 nan 8.290 nan 0.000 0.411 317 K N 0.331 120.662 120.400 -0.115 0.000 2.032 317 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 317 K C 1.578 178.136 176.600 -0.070 0.000 1.048 317 K CA 1.447 57.562 56.287 -0.286 0.000 0.927 317 K CB -0.246 31.776 32.500 -0.797 0.000 0.712 317 K HN 0.240 nan 8.250 nan 0.000 0.441 318 D N 0.742 121.206 120.400 0.108 0.000 2.149 318 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 318 D C 1.685 178.050 176.300 0.108 0.000 0.990 318 D CA 1.320 55.441 54.000 0.201 0.000 0.839 318 D CB -0.005 40.894 40.800 0.165 0.000 0.948 318 D HN 0.520 nan 8.370 nan 0.000 0.460 319 E N -0.515 119.723 120.200 0.064 0.000 2.479 319 E HA 0.151 4.501 4.350 -0.000 0.000 0.193 319 E C 1.140 177.761 176.600 0.035 0.000 1.049 319 E CA 0.659 57.086 56.400 0.046 0.000 0.870 319 E CB 0.115 29.837 29.700 0.038 0.000 0.944 319 E HN 0.097 nan 8.360 nan 0.000 0.492 320 G N 1.596 110.412 108.800 0.027 0.000 2.160 320 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.251 320 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.251 320 G C 0.798 175.701 174.900 0.006 0.000 1.008 320 G CA 0.848 45.958 45.100 0.016 0.000 0.724 320 G HN 0.505 nan 8.290 nan 0.000 0.514 321 T N -3.316 111.238 114.554 -0.000 0.000 3.092 321 T HA 0.666 5.015 4.350 -0.000 0.000 0.258 321 T C 0.945 175.641 174.700 -0.008 0.000 1.031 321 T CA 1.083 63.184 62.100 0.001 0.000 0.925 321 T CB 0.950 69.823 68.868 0.007 0.000 1.036 321 T HN 1.577 nan 8.240 nan 0.000 0.544 322 A N 1.466 124.270 122.820 -0.028 0.000 2.279 322 A HA 0.833 5.152 4.320 -0.000 0.000 0.306 322 A C 0.703 178.271 177.584 -0.026 0.000 1.300 322 A CA -0.647 51.368 52.037 -0.037 0.000 0.925 322 A CB -0.088 18.864 19.000 -0.080 0.000 1.152 322 A HN 0.696 nan 8.150 nan 0.000 0.544 323 A N 2.188 125.006 122.820 -0.004 0.000 2.313 323 A HA 0.466 4.786 4.320 -0.000 0.000 0.261 323 A C 1.228 178.825 177.584 0.023 0.000 1.090 323 A CA -0.151 51.895 52.037 0.016 0.000 0.807 323 A CB 0.182 19.197 19.000 0.025 0.000 1.055 323 A HN 1.079 nan 8.150 nan 0.000 0.492 324 V N 0.497 120.447 119.914 0.059 0.000 2.809 324 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 324 V C 2.094 178.253 176.094 0.107 0.000 1.080 324 V CA 2.312 64.668 62.300 0.094 0.000 1.102 324 V CB -1.047 30.899 31.823 0.205 0.000 0.705 324 V HN 0.953 nan 8.190 nan 0.000 0.475 325 E N 0.140 120.391 120.200 0.086 0.000 2.274 325 E HA -0.058 4.291 4.350 -0.000 0.000 0.194 325 E C 1.961 178.588 176.600 0.044 0.000 0.996 325 E CA 0.738 57.184 56.400 0.076 0.000 0.840 325 E CB -0.229 29.504 29.700 0.055 0.000 0.772 325 E HN 0.590 nan 8.360 nan 0.000 0.491 326 I N 0.496 121.082 120.570 0.027 0.000 2.286 326 I HA -0.255 3.914 4.170 -0.000 0.000 0.248 326 I C 1.898 178.013 176.117 -0.002 0.000 1.115 326 I CA 1.187 62.490 61.300 0.006 0.000 1.392 326 I CB -0.556 37.445 38.000 0.002 0.000 1.065 326 I HN 0.078 nan 8.210 nan 0.000 0.418 327 T N 0.086 114.649 114.554 0.016 0.000 2.803 327 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 327 T C 2.161 176.826 174.700 -0.058 0.000 1.052 327 T CA 1.657 63.762 62.100 0.009 0.000 1.136 327 T CB -0.179 68.709 68.868 0.033 0.000 0.864 327 T HN 0.283 nan 8.240 nan 0.000 0.467 328 S N 1.006 116.700 115.700 -0.011 0.000 2.356 328 S HA -0.015 4.454 4.470 -0.000 0.000 0.223 328 S C 2.028 176.525 174.600 -0.172 0.000 1.032 328 S CA 0.894 59.054 58.200 -0.067 0.000 1.005 328 S CB -0.411 62.890 63.200 0.170 0.000 0.867 328 S HN 0.452 nan 8.310 nan 0.000 0.449 329 I N 1.250 121.766 120.570 -0.089 0.000 2.127 329 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 329 I C 2.379 178.409 176.117 -0.145 0.000 1.075 329 I CA 1.147 62.387 61.300 -0.101 0.000 1.334 329 I CB -0.377 37.585 38.000 -0.063 0.000 1.040 329 I HN 0.312 nan 8.210 nan 0.000 0.405 330 M N 0.066 119.581 119.600 -0.142 0.000 2.160 330 M HA -0.109 4.370 4.480 -0.000 0.000 0.264 330 M C 2.266 178.449 176.300 -0.196 0.000 1.073 330 M CA 1.446 56.648 55.300 -0.164 0.000 1.142 330 M CB -1.206 31.305 32.600 -0.149 0.000 1.358 330 M HN 0.141 nan 8.290 nan 0.000 0.422 331 K N 0.812 121.079 120.400 -0.222 0.000 2.032 331 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 331 K C 2.184 178.628 176.600 -0.260 0.000 1.048 331 K CA 1.473 57.614 56.287 -0.244 0.000 0.927 331 K CB -0.299 32.021 32.500 -0.300 0.000 0.712 331 K HN 0.239 nan 8.250 nan 0.000 0.441 332 R N 0.622 120.902 120.500 -0.367 0.000 2.080 332 R HA -0.192 4.148 4.340 -0.000 0.000 0.236 332 R C 2.180 178.352 176.300 -0.213 0.000 1.137 332 R CA 2.166 58.065 56.100 -0.334 0.000 0.943 332 R CB -0.352 29.719 30.300 -0.382 0.000 0.846 332 R HN 0.239 nan 8.270 nan 0.000 0.431 333 N N -0.167 118.430 118.700 -0.172 0.000 2.039 333 N HA -0.135 4.605 4.740 -0.000 0.000 0.193 333 N C 1.631 177.094 175.510 -0.078 0.000 1.044 333 N CA 2.380 55.368 53.050 -0.102 0.000 0.847 333 N CB -0.203 38.217 38.487 -0.111 0.000 1.030 333 N HN 0.081 nan 8.380 nan 0.000 0.422 334 S N -0.526 115.104 115.700 -0.118 0.000 2.359 334 S HA -0.204 4.265 4.470 -0.000 0.000 0.223 334 S C 2.323 176.887 174.600 -0.059 0.000 1.039 334 S CA 1.432 59.565 58.200 -0.112 0.000 1.042 334 S CB -0.832 62.277 63.200 -0.152 0.000 0.915 334 S HN 0.564 nan 8.310 nan 0.000 0.439 335 C N 1.311 120.590 119.300 -0.034 0.000 2.429 335 C HA 0.014 4.474 4.460 -0.000 0.000 0.277 335 C C 2.938 177.966 174.990 0.063 0.000 1.262 335 C CA 0.425 59.455 59.018 0.020 0.000 1.733 335 C CB -1.850 25.917 27.740 0.044 0.000 2.010 335 C HN 0.743 nan 8.230 nan 0.000 0.483 336 G N 0.736 109.613 108.800 0.129 0.000 2.414 336 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 336 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 336 G C 1.674 176.602 174.900 0.048 0.000 1.188 336 G CA 0.631 45.836 45.100 0.174 0.000 0.783 336 G HN 0.407 nan 8.290 nan 0.000 0.537 337 K N 1.182 121.595 120.400 0.022 0.000 2.032 337 K HA -0.018 4.302 4.320 -0.000 0.000 0.209 337 K C 2.877 179.451 176.600 -0.044 0.000 1.048 337 K CA 1.278 57.548 56.287 -0.029 0.000 0.927 337 K CB -1.036 31.430 32.500 -0.056 0.000 0.712 337 K HN 0.257 nan 8.250 nan 0.000 0.441 338 A N 1.731 124.527 122.820 -0.041 0.000 1.892 338 A HA -0.194 4.125 4.320 -0.000 0.000 0.218 338 A C 2.266 179.832 177.584 -0.030 0.000 1.188 338 A CA 1.603 53.614 52.037 -0.044 0.000 0.631 338 A CB -0.719 18.256 19.000 -0.041 0.000 0.822 338 A HN 0.224 nan 8.150 nan 0.000 0.447 339 L N 0.295 121.510 121.223 -0.014 0.000 2.012 339 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 339 L C 1.764 178.620 176.870 -0.024 0.000 1.073 339 L CA 2.637 57.469 54.840 -0.012 0.000 0.748 339 L CB -0.884 41.169 42.059 -0.009 0.000 0.891 339 L HN 0.392 nan 8.230 nan 0.000 0.431 340 D N -0.320 120.059 120.400 -0.034 0.000 2.116 340 D HA -0.246 4.394 4.640 -0.000 0.000 0.193 340 D C 2.309 178.587 176.300 -0.038 0.000 0.998 340 D CA 2.080 56.057 54.000 -0.039 0.000 0.836 340 D CB -0.233 40.540 40.800 -0.045 0.000 0.951 340 D HN 0.447 nan 8.370 nan 0.000 0.449 341 I N 1.036 121.579 120.570 -0.045 0.000 2.252 341 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 341 I C 2.499 178.605 176.117 -0.019 0.000 1.102 341 I CA 1.041 62.315 61.300 -0.044 0.000 1.385 341 I CB -0.183 37.778 38.000 -0.065 0.000 1.064 341 I HN -0.076 nan 8.210 nan 0.000 0.414 342 A N 0.788 123.598 122.820 -0.016 0.000 1.908 342 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 342 A C 2.392 179.978 177.584 0.003 0.000 1.181 342 A CA 1.646 53.683 52.037 0.001 0.000 0.627 342 A CB -0.572 18.434 19.000 0.011 0.000 0.818 342 A HN 0.318 nan 8.150 nan 0.000 0.445 343 R N -1.351 119.147 120.500 -0.004 0.000 2.075 343 R HA -0.046 4.293 4.340 -0.000 0.000 0.232 343 R C 1.998 178.293 176.300 -0.009 0.000 1.126 343 R CA 1.130 57.227 56.100 -0.005 0.000 0.963 343 R CB -0.466 29.828 30.300 -0.011 0.000 0.858 343 R HN 0.397 nan 8.270 nan 0.000 0.435 344 L N 0.701 121.916 121.223 -0.013 0.000 1.989 344 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 344 L C 2.385 179.249 176.870 -0.010 0.000 1.071 344 L CA 2.044 56.877 54.840 -0.012 0.000 0.749 344 L CB -1.065 40.984 42.059 -0.016 0.000 0.890 344 L HN 0.172 nan 8.230 nan 0.000 0.431 345 A N -0.857 121.960 122.820 -0.005 0.000 1.865 345 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 345 A C 2.428 179.975 177.584 -0.062 0.000 1.191 345 A CA 2.018 54.044 52.037 -0.017 0.000 0.623 345 A CB -0.595 18.409 19.000 0.007 0.000 0.826 345 A HN 0.370 nan 8.150 nan 0.000 0.444 346 R N 0.588 121.068 120.500 -0.033 0.000 2.112 346 R HA -0.177 4.162 4.340 -0.000 0.000 0.242 346 R C 1.210 177.484 176.300 -0.043 0.000 1.137 346 R CA 2.343 58.428 56.100 -0.025 0.000 0.944 346 R CB -0.895 29.418 30.300 0.021 0.000 0.857 346 R HN 0.529 nan 8.270 nan 0.000 0.435 347 D N -0.547 119.837 120.400 -0.027 0.000 2.350 347 D HA -0.102 4.538 4.640 -0.000 0.000 0.216 347 D C 1.530 177.808 176.300 -0.036 0.000 0.968 347 D CA 0.953 54.941 54.000 -0.020 0.000 0.894 347 D CB -0.071 40.725 40.800 -0.007 0.000 0.909 347 D HN 0.379 nan 8.370 nan 0.000 0.520 348 M N -0.199 119.360 119.600 -0.068 0.000 2.558 348 M HA 0.078 4.557 4.480 -0.000 0.000 0.255 348 M C 0.280 176.475 176.300 -0.175 0.000 1.113 348 M CA 0.396 55.654 55.300 -0.070 0.000 1.097 348 M CB 0.402 32.978 32.600 -0.040 0.000 1.426 348 M HN -0.148 nan 8.290 nan 0.000 0.488 349 L N -0.911 120.126 121.223 -0.311 0.000 2.307 349 L HA 0.399 4.739 4.340 -0.000 0.000 0.282 349 L C 1.201 177.944 176.870 -0.212 0.000 1.051 349 L CA -0.557 53.949 54.840 -0.556 0.000 0.804 349 L CB 1.111 42.720 42.059 -0.750 0.000 1.197 349 L HN 0.098 nan 8.230 nan 0.000 0.431 350 G N 1.391 110.143 108.800 -0.080 0.000 2.921 350 G HA2 0.195 4.155 3.960 -0.000 0.000 0.213 350 G HA3 0.195 4.155 3.960 -0.000 0.000 0.213 350 G C 0.718 175.656 174.900 0.063 0.000 1.143 350 G CA 0.427 45.550 45.100 0.038 0.000 0.764 350 G HN 0.767 nan 8.290 nan 0.000 0.542 351 G N 0.059 108.883 108.800 0.041 0.000 2.441 351 G HA2 0.355 4.315 3.960 -0.000 0.000 0.258 351 G HA3 0.355 4.315 3.960 -0.000 0.000 0.258 351 G C -0.140 174.939 174.900 0.300 0.000 1.487 351 G CA -0.036 45.151 45.100 0.146 0.000 1.058 351 G HN 0.407 nan 8.290 nan 0.000 0.552 357 E N 0.968 121.190 120.200 0.037 0.000 2.495 357 E HA -0.096 4.254 4.350 -0.000 0.000 0.204 357 E C 0.445 177.008 176.600 -0.061 0.000 1.163 357 E CA 0.198 56.593 56.400 -0.008 0.000 0.922 357 E CB -0.845 28.847 29.700 -0.013 0.000 0.918 357 E HN 0.268 nan 8.360 nan 0.000 0.537 358 F N 0.847 120.786 119.950 -0.019 0.000 2.660 358 F HA 0.372 4.899 4.527 -0.000 0.000 0.297 358 F C 1.975 177.733 175.800 -0.070 0.000 1.132 358 F CA -0.377 57.596 58.000 -0.046 0.000 1.372 358 F CB 0.367 39.345 39.000 -0.037 0.000 1.003 358 F HN 0.134 nan 8.300 nan 0.000 0.524 359 G N -0.341 108.519 108.800 0.099 0.000 2.448 359 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 359 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 359 G C 1.862 176.763 174.900 0.001 0.000 1.127 359 G CA 1.010 46.101 45.100 -0.015 0.000 0.766 359 G HN 0.241 nan 8.290 nan 0.000 0.552 360 V N 1.465 121.438 119.914 0.099 0.000 2.324 360 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 360 V C 3.304 179.454 176.094 0.092 0.000 1.060 360 V CA 2.105 64.477 62.300 0.119 0.000 1.042 360 V CB -0.770 31.083 31.823 0.051 0.000 0.650 360 V HN 0.481 nan 8.190 nan 0.000 0.450 361 A N -0.419 122.474 122.820 0.122 0.000 1.972 361 A HA -0.242 4.077 4.320 -0.000 0.000 0.219 361 A C 2.399 179.935 177.584 -0.079 0.000 1.169 361 A CA 1.962 54.032 52.037 0.055 0.000 0.635 361 A CB -0.522 18.502 19.000 0.040 0.000 0.810 361 A HN 0.512 nan 8.150 nan 0.000 0.446 362 R N -1.239 119.127 120.500 -0.224 0.000 2.062 362 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 362 R C 2.047 178.118 176.300 -0.381 0.000 1.136 362 R CA 1.833 57.599 56.100 -0.556 0.000 0.948 362 R CB -0.474 29.325 30.300 -0.835 0.000 0.845 362 R HN 0.716 nan 8.270 nan 0.000 0.430 363 H N -0.182 118.770 119.070 -0.197 0.000 2.387 363 H HA -0.173 4.382 4.556 -0.000 0.000 0.299 363 H C 1.905 177.192 175.328 -0.068 0.000 1.099 363 H CA 1.557 57.536 56.048 -0.116 0.000 1.315 363 H CB 0.044 29.765 29.762 -0.069 0.000 1.380 363 H HN 0.139 nan 8.280 nan 0.000 0.513 364 L N 0.908 122.174 121.223 0.072 0.000 2.017 364 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 364 L C 2.343 179.237 176.870 0.039 0.000 1.073 364 L CA 1.561 56.429 54.840 0.047 0.000 0.745 364 L CB -0.663 41.419 42.059 0.040 0.000 0.894 364 L HN 0.294 nan 8.230 nan 0.000 0.432 365 V N -3.095 116.838 119.914 0.031 0.000 2.667 365 V HA -0.136 3.984 4.120 -0.000 0.000 0.252 365 V C 2.067 178.213 176.094 0.087 0.000 1.065 365 V CA 1.822 64.164 62.300 0.070 0.000 1.083 365 V CB -1.416 30.482 31.823 0.124 0.000 0.692 365 V HN 0.536 nan 8.190 nan 0.000 0.468 366 N N 1.010 119.746 118.700 0.061 0.000 2.084 366 N HA -0.033 4.707 4.740 -0.000 0.000 0.190 366 N C 1.826 177.377 175.510 0.069 0.000 1.030 366 N CA 1.703 54.794 53.050 0.068 0.000 0.849 366 N CB -0.328 38.175 38.487 0.025 0.000 1.012 366 N HN 0.406 nan 8.380 nan 0.000 0.423 367 L N 0.988 122.249 121.223 0.064 0.000 2.275 367 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 367 L C 1.961 178.866 176.870 0.058 0.000 1.119 367 L CA 0.897 55.771 54.840 0.058 0.000 0.790 367 L CB -0.212 41.874 42.059 0.044 0.000 0.919 367 L HN 0.242 nan 8.230 nan 0.000 0.443 368 E N -0.483 119.751 120.200 0.055 0.000 2.106 368 E HA -0.168 4.181 4.350 -0.000 0.000 0.192 368 E C 2.263 178.904 176.600 0.069 0.000 0.984 368 E CA 1.086 57.516 56.400 0.050 0.000 0.806 368 E CB 0.072 29.797 29.700 0.042 0.000 0.750 368 E HN 0.251 nan 8.360 nan 0.000 0.458 369 V N 0.608 120.577 119.914 0.092 0.000 2.307 369 V HA -0.211 3.908 4.120 -0.000 0.000 0.245 369 V C 2.297 178.514 176.094 0.204 0.000 1.045 369 V CA 1.206 63.593 62.300 0.146 0.000 1.024 369 V CB -0.289 31.601 31.823 0.112 0.000 0.651 369 V HN 0.135 nan 8.190 nan 0.000 0.449 370 V N 0.654 120.650 119.914 0.136 0.000 2.332 370 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 370 V C 2.282 178.464 176.094 0.148 0.000 1.055 370 V CA 2.384 64.766 62.300 0.137 0.000 1.038 370 V CB -0.975 30.898 31.823 0.084 0.000 0.651 370 V HN 0.589 nan 8.190 nan 0.000 0.450 371 N N -0.432 118.338 118.700 0.116 0.000 2.453 371 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 371 N C 1.628 177.204 175.510 0.110 0.000 1.041 371 N CA 1.394 54.513 53.050 0.115 0.000 0.900 371 N CB -0.052 38.490 38.487 0.091 0.000 0.961 371 N HN 0.447 nan 8.380 nan 0.000 0.443 372 T N -0.958 113.651 114.554 0.091 0.000 3.037 372 T HA 0.133 4.483 4.350 -0.000 0.000 0.252 372 T C -0.100 174.528 174.700 -0.120 0.000 1.073 372 T CA 0.331 62.418 62.100 -0.020 0.000 1.091 372 T CB 0.131 68.956 68.868 -0.072 0.000 0.935 372 T HN 0.062 nan 8.240 nan 0.000 0.488 373 Y N 1.091 121.405 120.300 0.022 0.000 2.458 373 Y HA 0.408 4.958 4.550 -0.000 0.000 0.322 373 Y C 0.826 176.773 175.900 0.079 0.000 1.259 373 Y CA -1.031 57.088 58.100 0.032 0.000 1.302 373 Y CB 0.681 39.154 38.460 0.021 0.000 1.314 373 Y HN -0.016 nan 8.280 nan 0.000 0.509 374 E N 0.114 120.475 120.200 0.270 0.000 2.440 374 E HA -0.125 4.224 4.350 -0.000 0.000 0.246 374 E C -0.172 176.568 176.600 0.233 0.000 1.165 374 E CA 1.526 58.059 56.400 0.222 0.000 0.726 374 E CB -1.479 28.343 29.700 0.204 0.000 1.271 374 E HN 1.050 nan 8.360 nan 0.000 0.397 375 G N -0.718 108.145 108.800 0.105 0.000 3.322 375 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.686 375 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.686 375 G C 0.165 175.099 174.900 0.056 0.000 1.015 375 G CA -0.138 44.938 45.100 -0.041 0.000 0.826 375 G HN 0.842 nan 8.290 nan 0.000 0.538 376 T N 0.197 114.743 114.554 -0.012 0.000 2.855 376 T HA 0.277 4.627 4.350 -0.000 0.000 0.314 376 T C 1.420 176.222 174.700 0.169 0.000 1.077 376 T CA 1.090 63.228 62.100 0.063 0.000 1.095 376 T CB 1.036 69.911 68.868 0.011 0.000 0.987 376 T HN 1.034 nan 8.240 nan 0.000 0.546 377 H N 0.881 120.010 119.070 0.098 0.000 2.321 377 H HA -0.149 4.407 4.556 -0.001 0.000 0.295 377 H C 1.603 176.981 175.328 0.084 0.000 1.102 377 H CA 2.736 58.844 56.048 0.100 0.000 1.266 377 H CB -0.113 29.675 29.762 0.044 0.000 1.363 377 H HN 0.750 nan 8.280 nan 0.000 0.492 378 D N -0.378 120.134 120.400 0.187 0.000 2.123 378 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 378 D C 2.330 178.652 176.300 0.037 0.000 0.976 378 D CA 1.371 55.434 54.000 0.105 0.000 0.831 378 D CB -0.400 40.443 40.800 0.071 0.000 0.974 378 D HN 0.668 nan 8.370 nan 0.000 0.469 379 I N -1.111 119.451 120.570 -0.013 0.000 2.361 379 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 379 I C 1.998 178.045 176.117 -0.117 0.000 1.133 379 I CA 1.569 62.820 61.300 -0.082 0.000 1.413 379 I CB -0.390 37.526 38.000 -0.139 0.000 1.073 379 I HN -0.010 nan 8.210 nan 0.000 0.424 380 H N 1.514 120.576 119.070 -0.015 0.000 2.389 380 H HA 0.047 4.603 4.556 -0.000 0.000 0.299 380 H C 2.459 177.759 175.328 -0.046 0.000 1.081 380 H CA 1.537 57.564 56.048 -0.035 0.000 1.345 380 H CB -0.271 29.446 29.762 -0.075 0.000 1.393 380 H HN 0.548 nan 8.280 nan 0.000 0.520 381 A N 1.381 124.233 122.820 0.054 0.000 1.883 381 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 381 A C 2.691 180.292 177.584 0.028 0.000 1.186 381 A CA 1.315 53.368 52.037 0.025 0.000 0.624 381 A CB -0.990 18.031 19.000 0.036 0.000 0.822 381 A HN 0.300 nan 8.150 nan 0.000 0.444 382 L N -0.754 120.484 121.223 0.025 0.000 2.131 382 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 382 L C 2.422 179.303 176.870 0.019 0.000 1.092 382 L CA 1.028 55.882 54.840 0.024 0.000 0.759 382 L CB -0.504 41.572 42.059 0.028 0.000 0.903 382 L HN 0.388 nan 8.230 nan 0.000 0.435 383 I N -0.328 120.252 120.570 0.017 0.000 2.394 383 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 383 I C 2.247 178.383 176.117 0.031 0.000 1.136 383 I CA 1.254 62.568 61.300 0.023 0.000 1.425 383 I CB -0.042 37.989 38.000 0.052 0.000 1.079 383 I HN 0.241 nan 8.210 nan 0.000 0.425 384 L N -0.286 120.958 121.223 0.035 0.000 2.209 384 L HA 0.028 4.367 4.340 -0.000 0.000 0.207 384 L C 2.609 179.490 176.870 0.017 0.000 1.094 384 L CA 1.007 55.862 54.840 0.025 0.000 0.790 384 L CB -0.910 41.160 42.059 0.019 0.000 0.932 384 L HN 0.242 nan 8.230 nan 0.000 0.447 385 G N 0.008 108.820 108.800 0.018 0.000 2.402 385 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 385 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 385 G C 1.738 176.647 174.900 0.016 0.000 1.162 385 G CA 0.525 45.635 45.100 0.017 0.000 0.777 385 G HN 0.216 nan 8.290 nan 0.000 0.539 386 R N 0.530 121.039 120.500 0.015 0.000 2.073 386 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 386 R C 2.809 179.112 176.300 0.005 0.000 1.134 386 R CA 1.460 57.565 56.100 0.009 0.000 0.952 386 R CB -0.403 29.897 30.300 0.000 0.000 0.850 386 R HN 0.263 nan 8.270 nan 0.000 0.433 387 A N 0.442 123.266 122.820 0.008 0.000 2.019 387 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 387 A C 1.946 179.534 177.584 0.007 0.000 1.164 387 A CA 1.252 53.294 52.037 0.008 0.000 0.644 387 A CB -0.283 18.725 19.000 0.014 0.000 0.805 387 A HN 0.500 nan 8.150 nan 0.000 0.449 388 Q N -1.329 118.476 119.800 0.008 0.000 2.212 388 Q HA -0.067 4.272 4.340 -0.000 0.000 0.199 388 Q C 2.025 178.029 176.000 0.006 0.000 0.950 388 Q CA 1.647 57.454 55.803 0.006 0.000 0.863 388 Q CB 0.063 28.805 28.738 0.007 0.000 0.944 388 Q HN 0.858 nan 8.270 nan 0.000 0.465 389 T N -5.202 109.356 114.554 0.007 0.000 2.971 389 T HA 0.270 4.620 4.350 -0.000 0.000 0.252 389 T C 1.352 176.055 174.700 0.005 0.000 1.022 389 T CA 0.544 62.648 62.100 0.007 0.000 0.980 389 T CB 0.815 69.688 68.868 0.010 0.000 1.044 389 T HN 0.338 nan 8.240 nan 0.000 0.501 390 G N 1.781 110.582 108.800 0.003 0.000 2.155 390 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.257 390 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.257 390 G C -0.033 174.867 174.900 0.000 0.000 0.983 390 G CA 0.434 45.533 45.100 -0.001 0.000 0.676 390 G HN 0.702 nan 8.290 nan 0.000 0.528 391 I N 0.445 121.019 120.570 0.007 0.000 2.406 391 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 391 I C 0.411 176.541 176.117 0.022 0.000 0.999 391 I CA -0.939 60.370 61.300 0.014 0.000 1.124 391 I CB 1.847 39.860 38.000 0.023 0.000 1.289 391 I HN 0.050 nan 8.210 nan 0.000 0.441 392 Q N 5.352 125.163 119.800 0.017 0.000 2.297 392 Q HA 0.287 4.627 4.340 -0.000 0.000 0.267 392 Q C -0.151 175.920 176.000 0.118 0.000 1.006 392 Q CA 0.012 55.829 55.803 0.024 0.000 0.896 392 Q CB 1.620 30.331 28.738 -0.046 0.000 1.186 392 Q HN 0.870 nan 8.270 nan 0.000 0.392 393 A N 4.805 127.723 122.820 0.164 0.000 2.564 393 A HA 0.500 4.820 4.320 -0.000 0.000 0.279 393 A C -0.735 177.134 177.584 0.474 0.000 1.232 393 A CA -0.272 51.932 52.037 0.279 0.000 0.950 393 A CB 0.145 19.213 19.000 0.114 0.000 1.138 393 A HN 0.700 nan 8.150 nan 0.000 0.526 394 F N 0.000 119.932 119.950 -0.030 0.000 2.286 394 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 394 F CA 0.000 57.979 58.000 -0.036 0.000 1.383 394 F CB 0.000 38.982 39.000 -0.030 0.000 1.145 394 F HN 0.000 nan 8.300 nan 0.000 0.574