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 1uf2_1_E DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSS DATA SEQUENCE AGYVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.759 176.300 0.766 0.000 1.140 1 M CA 0.000 55.634 55.300 0.556 0.000 0.988 1 M CB 0.000 32.729 32.600 0.215 0.000 1.302 2 S N 2.188 118.146 115.700 0.431 0.000 2.558 2 S HA -0.066 4.404 4.470 -0.000 0.000 0.297 2 S C 1.077 175.897 174.600 0.368 0.000 1.283 2 S CA 0.507 58.885 58.200 0.297 0.000 1.044 2 S CB 0.191 63.479 63.200 0.146 0.000 0.789 2 S HN 0.596 nan 8.310 nan 0.000 0.500 3 R N 1.814 122.269 120.500 -0.076 0.000 2.120 3 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 3 R C 1.845 178.151 176.300 0.010 0.000 1.123 3 R CA 1.425 57.285 56.100 -0.399 0.000 0.975 3 R CB -0.403 29.270 30.300 -1.045 0.000 0.866 3 R HN 0.579 nan 8.270 nan 0.000 0.446 4 Q N 1.407 121.211 119.800 0.006 0.000 2.046 4 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 4 Q C 2.211 178.304 176.000 0.154 0.000 0.975 4 Q CA 1.898 57.737 55.803 0.060 0.000 0.836 4 Q CB -0.235 28.515 28.738 0.020 0.000 0.896 4 Q HN 0.405 nan 8.270 nan 0.000 0.428 5 M N -1.582 118.124 119.600 0.178 0.000 2.149 5 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 5 M C 1.540 177.951 176.300 0.185 0.000 1.064 5 M CA 1.654 57.039 55.300 0.141 0.000 1.102 5 M CB -0.396 32.268 32.600 0.106 0.000 1.369 5 M HN 0.276 nan 8.290 nan 0.000 0.408 6 W N 0.482 121.925 121.300 0.239 0.000 2.378 6 W HA -0.119 4.541 4.660 -0.000 0.000 0.313 6 W C 2.098 178.781 176.519 0.273 0.000 1.197 6 W CA 1.042 58.559 57.345 0.287 0.000 1.304 6 W CB -0.605 29.098 29.460 0.406 0.000 1.148 6 W HN 0.079 nan 8.180 nan 0.000 0.494 7 L N -0.220 121.288 121.223 0.475 0.000 1.990 7 L HA -0.305 4.035 4.340 -0.000 0.000 0.213 7 L C 2.136 179.168 176.870 0.270 0.000 1.072 7 L CA 1.654 56.718 54.840 0.375 0.000 0.755 7 L CB -1.160 41.083 42.059 0.306 0.000 0.889 7 L HN -0.047 nan 8.230 nan 0.000 0.432 8 D N -0.283 120.226 120.400 0.182 0.000 2.137 8 D HA -0.189 4.451 4.640 -0.000 0.000 0.189 8 D C 2.161 178.465 176.300 0.006 0.000 0.998 8 D CA 2.049 56.077 54.000 0.045 0.000 0.839 8 D CB -0.379 40.439 40.800 0.030 0.000 0.962 8 D HN 0.225 nan 8.370 nan 0.000 0.446 9 T N -0.345 114.246 114.554 0.061 0.000 2.665 9 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 9 T C 2.000 176.697 174.700 -0.005 0.000 1.035 9 T CA 1.869 63.987 62.100 0.031 0.000 1.151 9 T CB -0.539 68.383 68.868 0.090 0.000 0.862 9 T HN 0.139 nan 8.240 nan 0.000 0.438 10 S N 1.306 117.113 115.700 0.179 0.000 2.365 10 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 10 S C 2.411 176.970 174.600 -0.068 0.000 1.039 10 S CA 1.670 59.924 58.200 0.090 0.000 1.033 10 S CB -0.665 62.751 63.200 0.360 0.000 0.887 10 S HN 0.529 nan 8.310 nan 0.000 0.447 11 A N 1.339 124.108 122.820 -0.085 0.000 1.917 11 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 11 A C 2.247 179.697 177.584 -0.223 0.000 1.182 11 A CA 1.883 53.757 52.037 -0.271 0.000 0.633 11 A CB -0.979 17.650 19.000 -0.617 0.000 0.819 11 A HN 0.654 nan 8.150 nan 0.000 0.448 12 L N -0.383 120.726 121.223 -0.190 0.000 2.027 12 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 12 L C 2.262 179.030 176.870 -0.171 0.000 1.074 12 L CA 1.608 56.342 54.840 -0.176 0.000 0.745 12 L CB -0.454 41.514 42.059 -0.152 0.000 0.898 12 L HN 0.397 nan 8.230 nan 0.000 0.433 13 L N -0.667 120.428 121.223 -0.213 0.000 2.083 13 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 13 L C 2.548 179.339 176.870 -0.132 0.000 1.083 13 L CA 1.526 56.238 54.840 -0.213 0.000 0.752 13 L CB -0.589 41.214 42.059 -0.427 0.000 0.899 13 L HN 0.401 nan 8.230 nan 0.000 0.433 14 E N -0.126 119.992 120.200 -0.138 0.000 2.150 14 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 14 E C 2.269 178.846 176.600 -0.038 0.000 0.985 14 E CA 0.976 57.323 56.400 -0.088 0.000 0.814 14 E CB -0.003 29.643 29.700 -0.091 0.000 0.752 14 E HN 0.489 nan 8.360 nan 0.000 0.466 15 A N 1.128 123.914 122.820 -0.058 0.000 1.873 15 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 15 A C 2.116 179.727 177.584 0.046 0.000 1.186 15 A CA 0.935 52.976 52.037 0.007 0.000 0.616 15 A CB -0.548 18.399 19.000 -0.089 0.000 0.823 15 A HN 0.152 nan 8.150 nan 0.000 0.442 16 I N -0.343 120.187 120.570 -0.067 0.000 2.151 16 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 16 I C 2.908 179.040 176.117 0.025 0.000 1.080 16 I CA 1.681 62.918 61.300 -0.104 0.000 1.339 16 I CB -0.357 37.570 38.000 -0.121 0.000 1.039 16 I HN 0.482 nan 8.210 nan 0.000 0.409 17 S N 0.613 116.349 115.700 0.060 0.000 2.359 17 S HA -0.335 4.135 4.470 -0.000 0.000 0.222 17 S C 2.081 176.727 174.600 0.077 0.000 1.038 17 S CA 2.221 60.478 58.200 0.094 0.000 1.051 17 S CB -0.478 62.756 63.200 0.056 0.000 0.944 17 S HN 0.550 nan 8.310 nan 0.000 0.433 18 E N -0.906 119.331 120.200 0.063 0.000 2.108 18 E HA -0.261 4.089 4.350 -0.000 0.000 0.203 18 E C 1.831 178.394 176.600 -0.062 0.000 1.022 18 E CA 1.998 58.405 56.400 0.012 0.000 0.823 18 E CB -0.446 29.266 29.700 0.021 0.000 0.744 18 E HN 0.788 nan 8.360 nan 0.000 0.456 19 Y N -0.314 119.958 120.300 -0.047 0.000 2.439 19 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 19 Y C 2.212 178.104 175.900 -0.013 0.000 1.130 19 Y CA 0.626 58.697 58.100 -0.050 0.000 1.254 19 Y CB 0.061 38.450 38.460 -0.119 0.000 1.000 19 Y HN -0.010 nan 8.280 nan 0.000 0.554 20 V N -1.137 118.844 119.914 0.111 0.000 2.358 20 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 20 V C 2.129 178.272 176.094 0.082 0.000 1.047 20 V CA 1.604 63.979 62.300 0.124 0.000 1.035 20 V CB -0.630 31.286 31.823 0.154 0.000 0.658 20 V HN 0.217 nan 8.190 nan 0.000 0.452 21 V N -0.116 119.825 119.914 0.046 0.000 2.343 21 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 21 V C 2.536 178.623 176.094 -0.013 0.000 1.051 21 V CA 1.869 64.180 62.300 0.018 0.000 1.036 21 V CB -0.869 30.957 31.823 0.005 0.000 0.654 21 V HN 0.460 nan 8.190 nan 0.000 0.451 22 R N -0.628 119.833 120.500 -0.063 0.000 2.096 22 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 22 R C 2.221 178.514 176.300 -0.011 0.000 1.127 22 R CA 1.787 57.834 56.100 -0.089 0.000 0.968 22 R CB -0.650 29.503 30.300 -0.244 0.000 0.861 22 R HN 0.473 nan 8.270 nan 0.000 0.440 23 C N 0.267 119.591 119.300 0.040 0.000 2.514 23 C HA 0.036 4.496 4.460 -0.000 0.000 0.271 23 C C 1.228 176.224 174.990 0.010 0.000 1.399 23 C CA -0.724 58.337 59.018 0.073 0.000 1.765 23 C CB -1.470 26.383 27.740 0.189 0.000 1.893 23 C HN 0.478 nan 8.230 nan 0.000 0.531 24 N N 0.783 119.490 118.700 0.012 0.000 2.374 24 N HA 0.188 4.928 4.740 -0.000 0.000 0.269 24 N C 1.126 176.601 175.510 -0.057 0.000 1.310 24 N CA 0.861 53.902 53.050 -0.014 0.000 0.877 24 N CB 0.114 38.605 38.487 0.007 0.000 1.096 24 N HN 0.576 nan 8.380 nan 0.000 0.484 25 G N 3.289 112.017 108.800 -0.121 0.000 2.179 25 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 25 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 25 G C -0.052 174.676 174.900 -0.288 0.000 1.010 25 G CA 0.290 45.282 45.100 -0.181 0.000 0.736 25 G HN 0.775 nan 8.290 nan 0.000 0.513 26 D N -0.081 120.124 120.400 -0.326 0.000 2.620 26 D HA 0.186 4.826 4.640 -0.000 0.000 0.260 26 D C 0.780 176.821 176.300 -0.431 0.000 1.367 26 D CA 0.697 54.533 54.000 -0.273 0.000 0.805 26 D CB 0.361 41.167 40.800 0.010 0.000 1.096 26 D HN 0.436 nan 8.370 nan 0.000 0.488 27 T N -0.402 113.751 114.554 -0.669 0.000 3.262 27 T HA 0.446 4.796 4.350 -0.000 0.000 0.374 27 T C 0.056 174.390 174.700 -0.610 0.000 1.504 27 T CA -0.589 61.191 62.100 -0.533 0.000 1.158 27 T CB -0.607 67.997 68.868 -0.440 0.000 1.157 27 T HN -0.179 nan 8.240 nan 0.000 0.644 28 F N 1.987 121.872 119.950 -0.109 0.000 2.404 28 F HA 0.486 5.013 4.527 -0.000 0.000 0.339 28 F C 1.252 177.002 175.800 -0.083 0.000 1.105 28 F CA -1.082 56.872 58.000 -0.077 0.000 1.087 28 F CB 1.201 40.174 39.000 -0.045 0.000 1.143 28 F HN 0.491 nan 8.300 nan 0.000 0.491 29 S N 0.926 116.685 115.700 0.099 0.000 2.562 29 S HA 0.470 4.940 4.470 -0.000 0.000 0.281 29 S C 0.947 175.584 174.600 0.063 0.000 1.333 29 S CA -0.068 58.157 58.200 0.041 0.000 1.052 29 S CB 0.946 64.162 63.200 0.025 0.000 0.884 29 S HN 1.449 nan 8.310 nan 0.000 0.506 30 G N 0.533 109.358 108.800 0.041 0.000 2.175 30 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 30 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 30 G C -0.424 174.505 174.900 0.048 0.000 0.982 30 G CA 0.177 45.301 45.100 0.040 0.000 0.641 30 G HN 1.224 nan 8.290 nan 0.000 0.527 31 L N 1.806 123.065 121.223 0.061 0.000 2.441 31 L HA 0.726 5.066 4.340 -0.000 0.000 0.270 31 L C -0.181 176.734 176.870 0.074 0.000 0.973 31 L CA -0.285 54.600 54.840 0.074 0.000 0.842 31 L CB 1.943 44.064 42.059 0.104 0.000 1.239 31 L HN 0.065 nan 8.230 nan 0.000 0.406 32 T N 2.938 117.549 114.554 0.095 0.000 2.811 32 T HA 0.344 4.694 4.350 -0.000 0.000 0.309 32 T C 0.219 175.015 174.700 0.160 0.000 1.005 32 T CA -0.298 61.892 62.100 0.149 0.000 0.955 32 T CB 0.116 69.083 68.868 0.165 0.000 0.970 32 T HN 0.655 nan 8.240 nan 0.000 0.496 33 T N 2.682 117.348 114.554 0.187 0.000 2.919 33 T HA 0.260 4.610 4.350 -0.000 0.000 0.302 33 T C 1.809 176.623 174.700 0.191 0.000 1.031 33 T CA -0.337 61.870 62.100 0.178 0.000 1.127 33 T CB 1.153 70.134 68.868 0.188 0.000 0.952 33 T HN 0.669 nan 8.240 nan 0.000 0.540 34 G N 1.726 110.610 108.800 0.140 0.000 2.442 34 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 34 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 34 G C 1.120 176.109 174.900 0.149 0.000 1.141 34 G CA 0.638 45.810 45.100 0.120 0.000 0.763 34 G HN 0.682 nan 8.290 nan 0.000 0.554 35 D N -0.273 120.244 120.400 0.195 0.000 2.097 35 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 35 D C 1.896 178.365 176.300 0.280 0.000 0.989 35 D CA 0.589 54.754 54.000 0.275 0.000 0.827 35 D CB -0.359 40.564 40.800 0.206 0.000 0.966 35 D HN 0.248 nan 8.370 nan 0.000 0.456 36 F N 1.278 121.291 119.950 0.104 0.000 2.216 36 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 36 F C 1.803 177.635 175.800 0.053 0.000 1.085 36 F CA 1.046 59.094 58.000 0.079 0.000 1.326 36 F CB -0.198 38.843 39.000 0.069 0.000 1.027 36 F HN -0.147 nan 8.300 nan 0.000 0.497 37 N N 0.612 119.316 118.700 0.005 0.000 2.106 37 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 37 N C 2.065 177.458 175.510 -0.195 0.000 1.029 37 N CA 1.574 54.556 53.050 -0.113 0.000 0.848 37 N CB -0.851 37.637 38.487 0.002 0.000 1.007 37 N HN 0.366 nan 8.380 nan 0.000 0.423 38 A N 0.778 123.501 122.820 -0.163 0.000 1.908 38 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 38 A C 2.201 179.506 177.584 -0.465 0.000 1.181 38 A CA 1.146 52.989 52.037 -0.324 0.000 0.627 38 A CB -0.807 17.946 19.000 -0.411 0.000 0.818 38 A HN 0.290 nan 8.150 nan 0.000 0.445 39 L N -0.091 120.906 121.223 -0.376 0.000 2.017 39 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 39 L C 2.471 178.920 176.870 -0.701 0.000 1.073 39 L CA 2.681 57.225 54.840 -0.494 0.000 0.745 39 L CB -0.766 41.150 42.059 -0.238 0.000 0.894 39 L HN 0.274 nan 8.230 nan 0.000 0.432 40 S N 0.081 115.471 115.700 -0.516 0.000 2.356 40 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 40 S C 1.793 176.278 174.600 -0.191 0.000 1.032 40 S CA 1.339 59.362 58.200 -0.295 0.000 1.005 40 S CB -0.539 62.417 63.200 -0.407 0.000 0.867 40 S HN 0.556 nan 8.310 nan 0.000 0.449 41 N N 1.154 119.718 118.700 -0.227 0.000 2.149 41 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 41 N C 1.630 177.028 175.510 -0.187 0.000 1.019 41 N CA 1.087 54.040 53.050 -0.161 0.000 0.857 41 N CB -0.308 38.080 38.487 -0.165 0.000 0.997 41 N HN 0.433 nan 8.380 nan 0.000 0.426 42 M N -0.635 118.773 119.600 -0.319 0.000 2.132 42 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 42 M C 1.803 177.984 176.300 -0.199 0.000 1.065 42 M CA 1.226 56.339 55.300 -0.312 0.000 1.122 42 M CB -0.408 31.926 32.600 -0.443 0.000 1.365 42 M HN 0.043 nan 8.290 nan 0.000 0.411 43 F N 0.362 120.224 119.950 -0.147 0.000 2.065 43 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 43 F C 2.625 178.359 175.800 -0.111 0.000 1.112 43 F CA 1.397 59.320 58.000 -0.129 0.000 1.212 43 F CB -0.931 37.975 39.000 -0.156 0.000 0.975 43 F HN 0.144 nan 8.300 nan 0.000 0.476 44 T N -0.477 114.134 114.554 0.095 0.000 2.597 44 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 44 T C 1.874 176.572 174.700 -0.004 0.000 1.053 44 T CA 1.590 63.705 62.100 0.025 0.000 1.165 44 T CB -0.458 68.422 68.868 0.020 0.000 0.863 44 T HN 0.195 nan 8.240 nan 0.000 0.427 45 Q N 0.269 120.050 119.800 -0.032 0.000 2.248 45 Q HA -0.075 4.265 4.340 -0.000 0.000 0.208 45 Q C 2.312 178.285 176.000 -0.044 0.000 0.984 45 Q CA 0.895 56.666 55.803 -0.053 0.000 0.875 45 Q CB -0.595 28.094 28.738 -0.082 0.000 0.910 45 Q HN 0.396 nan 8.270 nan 0.000 0.433 46 L N 0.622 121.841 121.223 -0.005 0.000 1.988 46 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 46 L C 1.673 178.545 176.870 0.004 0.000 1.071 46 L CA 2.123 56.986 54.840 0.037 0.000 0.744 46 L CB -0.631 41.497 42.059 0.114 0.000 0.893 46 L HN 0.131 nan 8.230 nan 0.000 0.433 47 S N -1.362 114.337 115.700 -0.002 0.000 2.768 47 S HA 0.032 4.502 4.470 -0.000 0.000 0.246 47 S C 1.602 176.143 174.600 -0.099 0.000 1.006 47 S CA 0.321 58.476 58.200 -0.075 0.000 1.075 47 S CB -0.663 62.520 63.200 -0.030 0.000 0.786 47 S HN 0.223 nan 8.310 nan 0.000 0.468 48 V N 2.523 122.377 119.914 -0.100 0.000 2.688 48 V HA -0.167 3.953 4.120 -0.000 0.000 0.256 48 V C 2.294 178.326 176.094 -0.103 0.000 1.084 48 V CA 2.269 64.517 62.300 -0.087 0.000 1.103 48 V CB -0.835 30.938 31.823 -0.084 0.000 0.688 48 V HN 0.869 nan 8.190 nan 0.000 0.480 49 S N -0.644 114.965 115.700 -0.151 0.000 2.562 49 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 49 S C 1.504 176.034 174.600 -0.116 0.000 0.975 49 S CA 0.713 58.825 58.200 -0.146 0.000 0.918 49 S CB 0.173 63.248 63.200 -0.208 0.000 0.772 49 S HN 0.850 nan 8.310 nan 0.000 0.531 50 S N -0.442 115.195 115.700 -0.106 0.000 2.787 50 S HA 0.756 5.226 4.470 -0.000 0.000 0.255 50 S C 0.138 174.709 174.600 -0.048 0.000 1.051 50 S CA 0.052 58.208 58.200 -0.074 0.000 1.124 50 S CB 0.520 63.674 63.200 -0.078 0.000 1.104 50 S HN 0.818 nan 8.310 nan 0.000 0.623 51 A N -0.196 122.597 122.820 -0.044 0.000 2.602 51 A HA 0.822 5.142 4.320 -0.000 0.000 0.290 51 A C 0.348 177.932 177.584 -0.001 0.000 1.114 51 A CA -0.310 51.717 52.037 -0.018 0.000 0.683 51 A CB 0.602 19.587 19.000 -0.025 0.000 1.281 51 A HN 0.597 nan 8.150 nan 0.000 0.416 52 G N -1.448 107.374 108.800 0.038 0.000 3.342 52 G HA2 0.462 4.422 3.960 -0.000 0.000 0.252 52 G HA3 0.462 4.422 3.960 -0.000 0.000 0.252 52 G C -0.599 174.390 174.900 0.148 0.000 1.011 52 G CA 0.385 45.519 45.100 0.056 0.000 0.869 52 G HN 1.113 nan 8.290 nan 0.000 0.514 53 Y N 0.067 120.351 120.300 -0.027 0.000 2.521 53 Y HA 0.537 5.087 4.550 -0.000 0.000 0.328 53 Y C -1.809 174.079 175.900 -0.021 0.000 1.151 53 Y CA -1.536 56.551 58.100 -0.022 0.000 1.054 53 Y CB 1.619 40.067 38.460 -0.019 0.000 1.338 53 Y HN -0.020 nan 8.280 nan 0.000 0.453 54 V N 5.065 124.605 119.914 -0.622 0.000 2.588 54 V HA 0.381 4.501 4.120 -0.000 0.000 0.304 54 V C 0.314 176.008 176.094 -0.668 0.000 1.042 54 V CA 0.090 62.083 62.300 -0.512 0.000 0.877 54 V CB 1.479 33.149 31.823 -0.255 0.000 0.996 54 V HN 0.933 nan 8.190 nan 0.000 0.425 55 S N 2.962 118.389 115.700 -0.455 0.000 2.315 55 S HA 0.042 4.512 4.470 -0.000 0.000 0.211 55 S C 0.387 174.859 174.600 -0.213 0.000 1.029 55 S CA 0.778 58.795 58.200 -0.306 0.000 0.956 55 S CB -0.172 62.919 63.200 -0.181 0.000 0.918 55 S HN 0.946 nan 8.310 nan 0.000 0.470 56 D N 1.496 121.761 120.400 -0.225 0.000 2.629 56 D HA 0.430 5.070 4.640 -0.000 0.000 0.250 56 D C -2.174 173.901 176.300 -0.375 0.000 1.126 56 D CA -2.120 51.737 54.000 -0.239 0.000 0.852 56 D CB 1.722 42.435 40.800 -0.144 0.000 1.335 56 D HN 0.044 nan 8.370 nan 0.000 0.518 57 P HA -0.112 nan 4.420 nan 0.000 0.225 57 P C 0.894 177.912 177.300 -0.471 0.000 1.156 57 P CA 0.418 63.017 63.100 -0.836 0.000 0.787 57 P CB 0.375 31.033 31.700 -1.736 0.000 0.802 58 R N 0.089 120.393 120.500 -0.325 0.000 2.165 58 R HA -0.142 4.198 4.340 -0.000 0.000 0.254 58 R C 2.158 178.357 176.300 -0.169 0.000 1.153 58 R CA 1.760 57.734 56.100 -0.211 0.000 0.971 58 R CB -1.701 28.518 30.300 -0.135 0.000 0.878 58 R HN 0.178 nan 8.270 nan 0.000 0.449 59 V N 1.262 121.084 119.914 -0.154 0.000 2.283 59 V HA -0.088 4.032 4.120 -0.000 0.000 0.239 59 V C -0.767 175.291 176.094 -0.061 0.000 1.035 59 V CA 1.248 63.495 62.300 -0.088 0.000 1.018 59 V CB -1.226 30.555 31.823 -0.069 0.000 0.658 59 V HN 0.226 nan 8.190 nan 0.000 0.459 60 P HA -0.187 nan 4.420 nan 0.000 0.216 60 P C 1.962 179.276 177.300 0.025 0.000 1.150 60 P CA 1.645 64.749 63.100 0.007 0.000 0.843 60 P CB 0.016 31.705 31.700 -0.020 0.000 0.787 61 L N -0.717 120.447 121.223 -0.097 0.000 2.017 61 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 61 L C 3.183 180.052 176.870 -0.003 0.000 1.073 61 L CA 1.658 56.414 54.840 -0.139 0.000 0.745 61 L CB -0.867 40.891 42.059 -0.501 0.000 0.894 61 L HN 0.030 nan 8.230 nan 0.000 0.432 62 Q N -0.569 119.228 119.800 -0.005 0.000 1.975 62 Q HA -0.229 4.111 4.340 -0.000 0.000 0.205 62 Q C 2.058 178.143 176.000 0.141 0.000 0.990 62 Q CA 2.674 58.540 55.803 0.105 0.000 0.845 62 Q CB -0.101 28.668 28.738 0.051 0.000 0.913 62 Q HN 0.438 nan 8.270 nan 0.000 0.420 63 T N 1.651 116.272 114.554 0.112 0.000 2.620 63 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 63 T C 1.650 176.443 174.700 0.155 0.000 1.044 63 T CA 1.790 63.980 62.100 0.150 0.000 1.161 63 T CB -0.381 68.589 68.868 0.170 0.000 0.862 63 T HN 0.365 nan 8.240 nan 0.000 0.438 64 M N 1.209 120.851 119.600 0.070 0.000 2.073 64 M HA -0.146 4.334 4.480 -0.000 0.000 0.258 64 M C 2.344 178.677 176.300 0.055 0.000 1.070 64 M CA 1.846 57.008 55.300 -0.229 0.000 1.103 64 M CB -0.822 31.543 32.600 -0.393 0.000 1.321 64 M HN 0.195 nan 8.290 nan 0.000 0.405 65 S N 1.321 117.133 115.700 0.186 0.000 2.348 65 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 65 S C 1.532 176.329 174.600 0.328 0.000 1.033 65 S CA 1.515 59.896 58.200 0.301 0.000 1.010 65 S CB -0.554 62.865 63.200 0.366 0.000 0.891 65 S HN 0.537 nan 8.310 nan 0.000 0.442 66 N N 1.302 120.211 118.700 0.349 0.000 2.061 66 N HA -0.133 4.607 4.740 -0.000 0.000 0.193 66 N C 1.710 177.353 175.510 0.221 0.000 1.030 66 N CA 1.332 54.617 53.050 0.393 0.000 0.856 66 N CB -0.450 38.206 38.487 0.282 0.000 1.023 66 N HN 0.365 nan 8.380 nan 0.000 0.424 67 M N -0.388 119.307 119.600 0.160 0.000 2.117 67 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 67 M C 1.938 178.112 176.300 -0.209 0.000 1.065 67 M CA 1.234 56.585 55.300 0.084 0.000 1.114 67 M CB -0.134 32.616 32.600 0.251 0.000 1.361 67 M HN 0.068 nan 8.290 nan 0.000 0.408 68 F N 0.034 119.677 119.950 -0.511 0.000 2.134 68 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 68 F C 1.767 177.383 175.800 -0.306 0.000 1.097 68 F CA 1.546 59.045 58.000 -0.834 0.000 1.264 68 F CB -0.555 38.203 39.000 -0.404 0.000 1.001 68 F HN -0.127 nan 8.300 nan 0.000 0.479 69 V N -0.609 119.125 119.914 -0.301 0.000 2.343 69 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 69 V C 2.622 178.561 176.094 -0.258 0.000 1.051 69 V CA 1.986 64.073 62.300 -0.355 0.000 1.036 69 V CB -1.081 30.441 31.823 -0.502 0.000 0.654 69 V HN 0.504 nan 8.190 nan 0.000 0.451 70 S N -1.123 114.499 115.700 -0.129 0.000 2.474 70 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 70 S C 1.636 176.189 174.600 -0.080 0.000 0.997 70 S CA 1.274 59.443 58.200 -0.052 0.000 0.949 70 S CB -0.332 62.892 63.200 0.040 0.000 0.766 70 S HN 0.592 nan 8.310 nan 0.000 0.517 71 F N 2.606 122.332 119.950 -0.373 0.000 2.138 71 F HA 0.177 4.704 4.527 -0.000 0.000 0.283 71 F C 1.324 176.899 175.800 -0.375 0.000 1.100 71 F CA 0.841 58.635 58.000 -0.343 0.000 1.189 71 F CB -0.520 38.202 39.000 -0.464 0.000 1.060 71 F HN 0.226 nan 8.300 nan 0.000 0.492 72 I N -0.464 119.734 120.570 -0.619 0.000 3.454 72 I HA 0.029 4.199 4.170 -0.000 0.000 0.297 72 I C 1.380 177.144 176.117 -0.589 0.000 1.298 72 I CA 0.926 61.809 61.300 -0.695 0.000 1.297 72 I CB -2.018 35.594 38.000 -0.646 0.000 1.017 72 I HN 0.124 nan 8.210 nan 0.000 0.528 73 T N -1.274 112.994 114.554 -0.478 0.000 3.033 73 T HA 0.085 4.435 4.350 -0.000 0.000 0.248 73 T C 0.972 175.474 174.700 -0.330 0.000 1.040 73 T CA 0.735 62.596 62.100 -0.399 0.000 1.133 73 T CB 0.041 68.754 68.868 -0.258 0.000 0.895 73 T HN 0.419 nan 8.240 nan 0.000 0.465 74 S N 1.365 116.880 115.700 -0.307 0.000 2.411 74 S HA 0.198 4.668 4.470 -0.000 0.000 0.294 74 S C 1.294 175.722 174.600 -0.287 0.000 1.115 74 S CA -0.486 57.569 58.200 -0.242 0.000 1.071 74 S CB 0.609 63.712 63.200 -0.162 0.000 0.967 74 S HN 0.282 nan 8.310 nan 0.000 0.488 75 T N 4.400 118.811 114.554 -0.238 0.000 2.699 75 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 75 T C 1.222 175.818 174.700 -0.174 0.000 1.036 75 T CA 1.732 63.700 62.100 -0.220 0.000 1.147 75 T CB -0.404 68.368 68.868 -0.160 0.000 0.862 75 T HN 0.646 nan 8.240 nan 0.000 0.446 76 D N 0.721 121.047 120.400 -0.125 0.000 2.149 76 D HA -0.109 4.531 4.640 -0.000 0.000 0.194 76 D C 2.345 178.610 176.300 -0.057 0.000 1.001 76 D CA 1.232 55.189 54.000 -0.071 0.000 0.849 76 D CB -0.115 40.656 40.800 -0.047 0.000 0.939 76 D HN 0.460 nan 8.370 nan 0.000 0.449 77 R N -0.007 120.427 120.500 -0.110 0.000 2.046 77 R HA 0.030 4.370 4.340 -0.000 0.000 0.223 77 R C 2.526 178.755 176.300 -0.118 0.000 1.179 77 R CA 1.246 57.314 56.100 -0.054 0.000 0.952 77 R CB -0.731 29.548 30.300 -0.035 0.000 0.843 77 R HN 0.295 nan 8.270 nan 0.000 0.439 78 C N 0.804 119.728 119.300 -0.626 0.000 2.511 78 C HA 0.276 4.736 4.460 -0.000 0.000 0.300 78 C C 2.118 176.924 174.990 -0.307 0.000 1.393 78 C CA -0.687 57.919 59.018 -0.688 0.000 1.637 78 C CB -1.526 25.442 27.740 -1.288 0.000 1.637 78 C HN 0.547 nan 8.230 nan 0.000 0.595 79 G N 1.326 110.046 108.800 -0.133 0.000 2.421 79 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 79 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 79 G C 1.264 176.138 174.900 -0.043 0.000 1.171 79 G CA 1.177 46.223 45.100 -0.091 0.000 0.775 79 G HN 0.865 nan 8.290 nan 0.000 0.543 80 Y N 0.122 120.388 120.300 -0.057 0.000 2.283 80 Y HA -0.069 4.481 4.550 -0.000 0.000 0.285 80 Y C 2.454 178.309 175.900 -0.076 0.000 1.176 80 Y CA 1.608 59.706 58.100 -0.004 0.000 1.229 80 Y CB -0.262 38.236 38.460 0.064 0.000 0.975 80 Y HN 0.190 nan 8.280 nan 0.000 0.537 81 M N 0.212 119.205 119.600 -1.011 0.000 2.506 81 M HA 0.041 4.521 4.480 -0.000 0.000 0.260 81 M C 1.111 177.132 176.300 -0.466 0.000 1.104 81 M CA 0.818 55.324 55.300 -1.325 0.000 1.112 81 M CB 0.065 31.755 32.600 -1.517 0.000 1.401 81 M HN 0.336 nan 8.290 nan 0.000 0.473 82 L N -0.408 120.670 121.223 -0.243 0.000 2.629 82 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 82 L C 0.551 177.462 176.870 0.069 0.000 1.151 82 L CA -0.080 54.711 54.840 -0.083 0.000 0.924 82 L CB -0.420 41.547 42.059 -0.154 0.000 1.137 82 L HN 0.164 nan 8.230 nan 0.000 0.457 83 R N 0.362 120.952 120.500 0.151 0.000 2.500 83 R HA 0.154 4.494 4.340 -0.000 0.000 0.277 83 R C 1.034 177.470 176.300 0.226 0.000 1.026 83 R CA -0.422 55.760 56.100 0.137 0.000 1.058 83 R CB 1.513 31.881 30.300 0.114 0.000 1.078 83 R HN -0.084 nan 8.270 nan 0.000 0.509 84 K N 0.489 120.859 120.400 -0.050 0.000 2.211 84 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 84 K C 1.145 177.803 176.600 0.097 0.000 1.047 84 K CA 1.737 57.915 56.287 -0.183 0.000 0.935 84 K CB 0.168 32.366 32.500 -0.504 0.000 0.728 84 K HN 0.540 nan 8.250 nan 0.000 0.452 85 T N -0.349 114.278 114.554 0.122 0.000 2.777 85 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 85 T C 1.042 175.855 174.700 0.187 0.000 1.040 85 T CA 1.178 63.363 62.100 0.141 0.000 1.141 85 T CB -0.366 68.583 68.868 0.136 0.000 0.868 85 T HN 0.500 nan 8.240 nan 0.000 0.444 86 W N 0.957 122.310 121.300 0.088 0.000 2.364 86 W HA -0.066 4.594 4.660 -0.000 0.000 0.281 86 W C 1.549 178.073 176.519 0.008 0.000 1.219 86 W CA 0.426 57.803 57.345 0.053 0.000 1.220 86 W CB -0.458 28.997 29.460 -0.008 0.000 1.127 86 W HN 0.256 nan 8.180 nan 0.000 0.556 87 F N 0.312 120.150 119.950 -0.186 0.000 2.619 87 F HA 0.060 4.587 4.527 -0.000 0.000 0.293 87 F C 2.047 177.704 175.800 -0.239 0.000 1.119 87 F CA 1.120 58.884 58.000 -0.394 0.000 1.445 87 F CB -0.367 38.437 39.000 -0.327 0.000 1.119 87 F HN -0.252 nan 8.300 nan 0.000 0.573 88 N N -0.213 118.474 118.700 -0.021 0.000 2.278 88 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 88 N C 0.600 176.039 175.510 -0.118 0.000 1.023 88 N CA 1.129 54.157 53.050 -0.036 0.000 0.862 88 N CB -0.086 38.439 38.487 0.064 0.000 1.003 88 N HN 0.260 nan 8.380 nan 0.000 0.431 89 S N -0.402 115.239 115.700 -0.098 0.000 2.704 89 S HA 0.394 4.864 4.470 -0.000 0.000 0.305 89 S C -0.306 174.227 174.600 -0.111 0.000 1.107 89 S CA -0.770 57.380 58.200 -0.084 0.000 0.993 89 S CB 2.043 65.233 63.200 -0.018 0.000 1.110 89 S HN -0.035 nan 8.310 nan 0.000 0.534 90 D N 1.646 122.004 120.400 -0.070 0.000 2.587 90 D HA 0.150 4.790 4.640 -0.000 0.000 0.233 90 D C -0.040 176.264 176.300 0.006 0.000 1.213 90 D CA 0.123 54.092 54.000 -0.051 0.000 0.827 90 D CB 0.176 40.945 40.800 -0.051 0.000 1.006 90 D HN 0.742 nan 8.370 nan 0.000 0.490 91 T N -1.304 113.269 114.554 0.031 0.000 2.752 91 T HA 0.149 4.499 4.350 -0.000 0.000 0.295 91 T C 0.467 175.226 174.700 0.099 0.000 0.923 91 T CA -0.597 61.539 62.100 0.060 0.000 1.112 91 T CB 1.496 70.404 68.868 0.067 0.000 0.884 91 T HN -0.146 nan 8.240 nan 0.000 0.525 92 K N 5.563 126.012 120.400 0.082 0.000 2.361 92 K HA 0.117 4.437 4.320 -0.000 0.000 0.283 92 K C -1.517 175.144 176.600 0.102 0.000 1.078 92 K CA -1.165 55.179 56.287 0.095 0.000 1.041 92 K CB 0.247 32.782 32.500 0.058 0.000 0.932 92 K HN 0.605 nan 8.250 nan 0.000 0.462 93 P HA 0.124 nan 4.420 nan 0.000 0.279 93 P C -0.987 176.335 177.300 0.037 0.000 1.276 93 P CA -0.508 62.663 63.100 0.119 0.000 0.801 93 P CB 1.012 32.841 31.700 0.215 0.000 1.127 94 T N -1.911 112.643 114.554 0.000 0.000 2.833 94 T HA 0.546 4.896 4.350 -0.000 0.000 0.297 94 T C -0.116 174.536 174.700 -0.079 0.000 1.015 94 T CA -0.701 61.381 62.100 -0.030 0.000 0.963 94 T CB 0.409 69.273 68.868 -0.007 0.000 0.955 94 T HN 0.371 nan 8.240 nan 0.000 0.449 95 V N 0.250 120.089 119.914 -0.126 0.000 2.483 95 V HA 0.751 4.871 4.120 -0.000 0.000 0.297 95 V C 0.173 176.226 176.094 -0.068 0.000 1.027 95 V CA -0.907 61.303 62.300 -0.150 0.000 0.855 95 V CB 1.587 33.199 31.823 -0.351 0.000 0.995 95 V HN 0.860 nan 8.190 nan 0.000 0.424 96 S N 3.776 119.461 115.700 -0.024 0.000 2.642 96 S HA 0.363 4.833 4.470 -0.000 0.000 0.309 96 S C -0.460 174.163 174.600 0.038 0.000 1.125 96 S CA -0.191 58.011 58.200 0.003 0.000 1.055 96 S CB -0.666 62.540 63.200 0.009 0.000 1.157 96 S HN 1.015 nan 8.310 nan 0.000 0.513 97 D N 3.517 123.946 120.400 0.049 0.000 2.452 97 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 97 D C 0.167 176.529 176.300 0.103 0.000 1.366 97 D CA -0.315 53.755 54.000 0.117 0.000 0.986 97 D CB 1.332 42.264 40.800 0.220 0.000 1.420 97 D HN 0.319 nan 8.370 nan 0.000 0.583 98 D N 1.589 122.054 120.400 0.108 0.000 2.347 98 D HA -0.263 4.377 4.640 -0.000 0.000 0.189 98 D C 1.549 177.925 176.300 0.126 0.000 1.020 98 D CA 1.597 55.657 54.000 0.102 0.000 0.875 98 D CB -0.197 40.683 40.800 0.133 0.000 0.928 98 D HN 0.461 nan 8.370 nan 0.000 0.454 99 F N 0.669 120.648 119.950 0.050 0.000 2.069 99 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 99 F C 2.099 177.855 175.800 -0.073 0.000 1.113 99 F CA 1.093 59.116 58.000 0.037 0.000 1.214 99 F CB -0.228 38.702 39.000 -0.116 0.000 0.978 99 F HN -0.082 nan 8.300 nan 0.000 0.474 100 I N 0.765 121.178 120.570 -0.262 0.000 2.163 100 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 100 I C 2.727 178.659 176.117 -0.309 0.000 1.085 100 I CA 2.185 63.268 61.300 -0.361 0.000 1.347 100 I CB -1.966 35.966 38.000 -0.114 0.000 1.044 100 I HN 0.376 nan 8.210 nan 0.000 0.408 101 T N -2.774 111.669 114.554 -0.186 0.000 2.821 101 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 101 T C 1.829 176.397 174.700 -0.220 0.000 1.046 101 T CA 1.834 63.836 62.100 -0.164 0.000 1.139 101 T CB -0.658 68.149 68.868 -0.101 0.000 0.871 101 T HN 0.192 nan 8.240 nan 0.000 0.454 102 T N 0.137 114.530 114.554 -0.268 0.000 2.937 102 T HA 0.158 4.508 4.350 -0.000 0.000 0.260 102 T C 1.085 175.400 174.700 -0.641 0.000 1.051 102 T CA 0.948 62.792 62.100 -0.425 0.000 1.141 102 T CB -0.231 68.380 68.868 -0.427 0.000 0.879 102 T HN 0.590 nan 8.240 nan 0.000 0.459 103 Y N -0.529 119.506 120.300 -0.442 0.000 2.607 103 Y HA 0.428 4.978 4.550 -0.000 0.000 0.276 103 Y C 0.399 176.027 175.900 -0.453 0.000 1.117 103 Y CA -0.771 57.067 58.100 -0.438 0.000 1.273 103 Y CB 0.425 38.565 38.460 -0.534 0.000 1.282 103 Y HN 0.007 nan 8.280 nan 0.000 0.514 104 I N 3.686 123.960 120.570 -0.494 0.000 2.347 104 I HA 0.203 4.373 4.170 -0.000 0.000 0.294 104 I C -0.046 175.901 176.117 -0.282 0.000 1.090 104 I CA 0.028 61.025 61.300 -0.506 0.000 1.314 104 I CB -0.252 37.198 38.000 -0.916 0.000 1.423 104 I HN 0.150 nan 8.210 nan 0.000 0.503 105 R N 4.717 125.111 120.500 -0.178 0.000 2.709 105 R HA 0.507 4.847 4.340 -0.000 0.000 0.270 105 R C -3.233 173.026 176.300 -0.068 0.000 1.038 105 R CA -1.970 54.065 56.100 -0.107 0.000 0.872 105 R CB 0.285 30.515 30.300 -0.116 0.000 1.259 105 R HN -0.004 nan 8.270 nan 0.000 0.473 106 P HA -0.060 nan 4.420 nan 0.000 0.259 106 P C -0.191 177.082 177.300 -0.045 0.000 1.163 106 P CA 0.108 63.191 63.100 -0.028 0.000 0.760 106 P CB 0.427 32.112 31.700 -0.024 0.000 0.762 107 R N 2.224 122.697 120.500 -0.045 0.000 2.444 107 R HA 0.254 4.594 4.340 -0.000 0.000 0.201 107 R C 0.647 176.903 176.300 -0.073 0.000 0.861 107 R CA 0.192 56.251 56.100 -0.068 0.000 1.034 107 R CB -0.262 29.988 30.300 -0.083 0.000 1.347 107 R HN 0.370 nan 8.270 nan 0.000 0.659 108 L N 2.556 123.740 121.223 -0.065 0.000 2.417 108 L HA 0.217 4.557 4.340 -0.000 0.000 0.268 108 L C 0.675 177.520 176.870 -0.041 0.000 1.158 108 L CA -0.118 54.684 54.840 -0.064 0.000 0.819 108 L CB 0.580 42.609 42.059 -0.050 0.000 1.112 108 L HN 0.027 nan 8.230 nan 0.000 0.458 109 Q N 2.138 121.913 119.800 -0.041 0.000 2.279 109 Q HA 0.362 4.702 4.340 -0.000 0.000 0.256 109 Q C -1.145 174.845 176.000 -0.018 0.000 0.937 109 Q CA -0.340 55.444 55.803 -0.031 0.000 0.933 109 Q CB 1.795 30.512 28.738 -0.034 0.000 1.189 109 Q HN 0.479 nan 8.270 nan 0.000 0.417 110 V N 6.130 126.036 119.914 -0.014 0.000 2.581 110 V HA 0.475 4.595 4.120 -0.000 0.000 0.303 110 V C -1.751 174.337 176.094 -0.009 0.000 1.041 110 V CA -1.481 60.815 62.300 -0.007 0.000 0.907 110 V CB 1.803 33.623 31.823 -0.005 0.000 0.994 110 V HN 0.985 nan 8.190 nan 0.000 0.442 111 P HA 0.053 nan 4.420 nan 0.000 0.264 111 P C 1.284 178.583 177.300 -0.003 0.000 1.259 111 P CA 0.062 63.160 63.100 -0.004 0.000 0.841 111 P CB 0.314 32.011 31.700 -0.004 0.000 1.232 112 M N 1.406 121.002 119.600 -0.006 0.000 2.146 112 M HA -0.190 4.290 4.480 -0.000 0.000 0.256 112 M C 2.148 178.446 176.300 -0.003 0.000 1.075 112 M CA 1.869 57.165 55.300 -0.006 0.000 1.082 112 M CB -1.344 31.250 32.600 -0.011 0.000 1.355 112 M HN -0.058 nan 8.290 nan 0.000 0.402 113 S N -0.571 115.128 115.700 -0.001 0.000 2.368 113 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 113 S C 1.834 176.449 174.600 0.025 0.000 1.030 113 S CA 1.702 59.907 58.200 0.008 0.000 0.999 113 S CB -0.558 62.645 63.200 0.007 0.000 0.844 113 S HN 0.651 nan 8.310 nan 0.000 0.459 114 D N 0.020 120.433 120.400 0.021 0.000 2.117 114 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 114 D C 1.851 178.155 176.300 0.006 0.000 0.982 114 D CA 1.510 55.520 54.000 0.018 0.000 0.828 114 D CB -0.236 40.568 40.800 0.007 0.000 0.967 114 D HN 0.418 nan 8.370 nan 0.000 0.464 115 T N 0.772 115.327 114.554 0.002 0.000 2.665 115 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 115 T C 2.220 176.917 174.700 -0.005 0.000 1.035 115 T CA 0.843 62.941 62.100 -0.003 0.000 1.151 115 T CB -0.347 68.519 68.868 -0.003 0.000 0.862 115 T HN -0.018 nan 8.240 nan 0.000 0.438 116 V N 1.788 121.703 119.914 0.001 0.000 2.343 116 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 116 V C 2.699 178.794 176.094 0.001 0.000 1.051 116 V CA 1.567 63.868 62.300 0.002 0.000 1.036 116 V CB -0.665 31.163 31.823 0.008 0.000 0.654 116 V HN 0.377 nan 8.190 nan 0.000 0.451 117 R N 0.121 120.628 120.500 0.012 0.000 2.083 117 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 117 R C 2.298 178.578 176.300 -0.033 0.000 1.137 117 R CA 2.223 58.327 56.100 0.007 0.000 0.951 117 R CB -0.324 29.988 30.300 0.021 0.000 0.851 117 R HN 0.625 nan 8.270 nan 0.000 0.434 118 Q N 0.324 120.102 119.800 -0.037 0.000 1.993 118 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 118 Q C 2.344 178.297 176.000 -0.079 0.000 0.984 118 Q CA 1.598 57.364 55.803 -0.061 0.000 0.837 118 Q CB -0.211 28.505 28.738 -0.038 0.000 0.902 118 Q HN 0.355 nan 8.270 nan 0.000 0.423 119 L N 1.235 122.429 121.223 -0.048 0.000 2.357 119 L HA -0.248 4.092 4.340 -0.000 0.000 0.220 119 L C 2.043 178.877 176.870 -0.061 0.000 1.123 119 L CA 0.702 55.515 54.840 -0.046 0.000 0.782 119 L CB -0.440 41.605 42.059 -0.023 0.000 0.910 119 L HN 0.340 nan 8.230 nan 0.000 0.442 120 N N 0.206 118.865 118.700 -0.067 0.000 2.207 120 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 120 N C 1.499 176.935 175.510 -0.124 0.000 1.020 120 N CA 0.927 53.937 53.050 -0.066 0.000 0.858 120 N CB -0.071 38.395 38.487 -0.035 0.000 0.991 120 N HN 0.187 nan 8.380 nan 0.000 0.427 121 N N 0.542 119.114 118.700 -0.213 0.000 2.258 121 N HA -0.137 4.603 4.740 -0.000 0.000 0.187 121 N C 1.258 176.493 175.510 -0.457 0.000 1.012 121 N CA 0.651 53.458 53.050 -0.406 0.000 0.870 121 N CB -0.179 37.908 38.487 -0.667 0.000 0.977 121 N HN 0.400 nan 8.380 nan 0.000 0.434 122 L N 0.273 121.324 121.223 -0.286 0.000 2.558 122 L HA 0.094 4.434 4.340 -0.000 0.000 0.225 122 L C 0.467 177.310 176.870 -0.045 0.000 1.128 122 L CA -0.039 54.718 54.840 -0.137 0.000 0.868 122 L CB -0.046 41.969 42.059 -0.073 0.000 1.006 122 L HN -0.086 nan 8.230 nan 0.000 0.454 123 S N 0.187 115.858 115.700 -0.048 0.000 2.573 123 S HA 0.078 4.548 4.470 -0.000 0.000 0.277 123 S C 1.385 175.991 174.600 0.009 0.000 1.346 123 S CA -0.426 57.767 58.200 -0.012 0.000 1.034 123 S CB 1.221 64.415 63.200 -0.010 0.000 0.879 123 S HN 0.166 nan 8.310 nan 0.000 0.528 124 L N 1.539 122.772 121.223 0.016 0.000 1.994 124 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 124 L C 0.928 177.814 176.870 0.026 0.000 1.071 124 L CA 1.459 56.313 54.840 0.023 0.000 0.745 124 L CB -0.186 41.885 42.059 0.020 0.000 0.892 124 L HN 0.649 nan 8.230 nan 0.000 0.431 125 Q N 0.431 120.245 119.800 0.024 0.000 2.907 125 Q HA 0.284 4.624 4.340 -0.000 0.000 0.262 125 Q C -2.141 173.878 176.000 0.031 0.000 0.997 125 Q CA -1.517 54.303 55.803 0.028 0.000 0.797 125 Q CB 1.043 29.796 28.738 0.026 0.000 1.228 125 Q HN 0.188 nan 8.270 nan 0.000 0.466 126 P HA -0.033 nan 4.420 nan 0.000 0.272 126 P C -0.005 177.325 177.300 0.051 0.000 1.254 126 P CA -0.246 62.878 63.100 0.039 0.000 0.795 126 P CB 0.850 32.576 31.700 0.042 0.000 1.022 127 S N -0.912 114.823 115.700 0.059 0.000 2.533 127 S HA 0.278 4.748 4.470 -0.000 0.000 0.282 127 S C 1.484 176.133 174.600 0.082 0.000 1.304 127 S CA 0.013 58.254 58.200 0.068 0.000 1.063 127 S CB -0.028 63.218 63.200 0.078 0.000 0.881 127 S HN 0.513 nan 8.310 nan 0.000 0.493 128 A N 5.408 128.275 122.820 0.077 0.000 1.930 128 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 128 A C 0.773 178.419 177.584 0.103 0.000 1.175 128 A CA 1.068 53.155 52.037 0.083 0.000 0.627 128 A CB -0.107 18.933 19.000 0.068 0.000 0.815 128 A HN 0.803 nan 8.150 nan 0.000 0.443 129 K N 0.943 121.409 120.400 0.111 0.000 2.530 129 K HA 0.312 4.632 4.320 -0.000 0.000 0.230 129 K C -2.821 173.883 176.600 0.173 0.000 1.002 129 K CA -1.808 54.564 56.287 0.141 0.000 1.014 129 K CB 1.634 34.206 32.500 0.119 0.000 1.286 129 K HN 0.298 nan 8.250 nan 0.000 0.480 130 P HA 0.029 nan 4.420 nan 0.000 0.271 130 P C -0.519 176.922 177.300 0.235 0.000 1.244 130 P CA -0.285 62.926 63.100 0.185 0.000 0.793 130 P CB 0.967 32.768 31.700 0.169 0.000 0.984 131 K N 0.194 120.697 120.400 0.172 0.000 2.132 131 K HA 0.167 4.487 4.320 -0.000 0.000 0.240 131 K C 1.503 178.166 176.600 0.106 0.000 1.036 131 K CA -0.570 55.789 56.287 0.120 0.000 0.888 131 K CB 0.158 32.716 32.500 0.097 0.000 1.071 131 K HN 0.358 nan 8.250 nan 0.000 0.502 132 L N 0.598 121.781 121.223 -0.066 0.000 2.156 132 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 132 L C 2.248 179.201 176.870 0.137 0.000 1.095 132 L CA 0.856 55.685 54.840 -0.017 0.000 0.770 132 L CB -0.287 41.610 42.059 -0.269 0.000 0.914 132 L HN 0.608 nan 8.230 nan 0.000 0.439 133 Y N 1.396 121.692 120.300 -0.007 0.000 1.977 133 Y HA -0.442 4.108 4.550 -0.000 0.000 0.264 133 Y C 2.563 178.455 175.900 -0.013 0.000 1.167 133 Y CA 2.270 60.374 58.100 0.007 0.000 1.102 133 Y CB -0.653 37.804 38.460 -0.006 0.000 0.948 133 Y HN 0.265 nan 8.280 nan 0.000 0.489 134 E N -0.265 119.880 120.200 -0.092 0.000 2.095 134 E HA -0.368 3.982 4.350 -0.000 0.000 0.212 134 E C 2.456 178.858 176.600 -0.330 0.000 1.044 134 E CA 2.228 58.487 56.400 -0.235 0.000 0.857 134 E CB -0.320 29.342 29.700 -0.064 0.000 0.764 134 E HN 0.506 nan 8.360 nan 0.000 0.462 135 R N -0.197 120.173 120.500 -0.217 0.000 2.083 135 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 135 R C 2.703 178.729 176.300 -0.455 0.000 1.137 135 R CA 2.168 58.019 56.100 -0.414 0.000 0.951 135 R CB -0.218 30.063 30.300 -0.031 0.000 0.851 135 R HN 0.387 nan 8.270 nan 0.000 0.434 136 Q N -0.025 119.714 119.800 -0.101 0.000 2.077 136 Q HA -0.190 4.150 4.340 -0.000 0.000 0.206 136 Q C 1.860 177.725 176.000 -0.226 0.000 0.989 136 Q CA 1.364 57.171 55.803 0.006 0.000 0.853 136 Q CB -0.249 28.584 28.738 0.158 0.000 0.907 136 Q HN 0.361 nan 8.270 nan 0.000 0.418 137 N N 0.461 118.940 118.700 -0.368 0.000 2.120 137 N HA -0.129 4.611 4.740 -0.000 0.000 0.188 137 N C 1.747 177.036 175.510 -0.369 0.000 1.024 137 N CA 1.338 54.153 53.050 -0.392 0.000 0.852 137 N CB -0.302 37.883 38.487 -0.503 0.000 1.003 137 N HN 0.258 nan 8.380 nan 0.000 0.424 138 A N 1.767 124.296 122.820 -0.484 0.000 1.841 138 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 138 A C 2.305 179.637 177.584 -0.419 0.000 1.199 138 A CA 1.187 52.915 52.037 -0.514 0.000 0.621 138 A CB -0.898 17.488 19.000 -1.024 0.000 0.835 138 A HN 0.240 nan 8.150 nan 0.000 0.445 139 I N -1.240 118.988 120.570 -0.571 0.000 2.423 139 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 139 I C 2.636 178.668 176.117 -0.142 0.000 1.151 139 I CA 1.749 62.789 61.300 -0.433 0.000 1.421 139 I CB -0.196 37.357 38.000 -0.744 0.000 1.079 139 I HN 0.501 nan 8.210 nan 0.000 0.431 140 M N 0.117 119.602 119.600 -0.191 0.000 2.738 140 M HA -0.007 4.473 4.480 -0.000 0.000 0.256 140 M C 1.722 177.830 176.300 -0.320 0.000 1.253 140 M CA 1.379 56.513 55.300 -0.278 0.000 1.223 140 M CB 0.303 32.663 32.600 -0.401 0.000 1.263 140 M HN -0.126 nan 8.290 nan 0.000 0.521 141 K N 0.076 120.315 120.400 -0.267 0.000 2.374 141 K HA 0.219 4.539 4.320 -0.000 0.000 0.196 141 K C 0.484 176.997 176.600 -0.144 0.000 1.023 141 K CA 0.512 56.672 56.287 -0.212 0.000 1.103 141 K CB 0.390 32.770 32.500 -0.200 0.000 0.848 141 K HN 0.612 nan 8.250 nan 0.000 0.528 142 G N 2.399 111.113 108.800 -0.144 0.000 2.314 142 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.292 142 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.292 142 G C -0.073 174.782 174.900 -0.076 0.000 1.059 142 G CA 0.079 45.126 45.100 -0.089 0.000 0.982 142 G HN 0.129 nan 8.290 nan 0.000 0.505 143 L N -0.581 120.569 121.223 -0.121 0.000 2.469 143 L HA 0.457 4.797 4.340 -0.000 0.000 0.253 143 L C 0.725 177.560 176.870 -0.058 0.000 1.143 143 L CA -1.045 53.739 54.840 -0.093 0.000 0.804 143 L CB 0.402 42.380 42.059 -0.135 0.000 1.214 143 L HN 0.092 nan 8.230 nan 0.000 0.476 144 D N 0.839 121.229 120.400 -0.017 0.000 2.341 144 D HA 0.297 4.937 4.640 -0.000 0.000 0.245 144 D C -0.426 175.884 176.300 0.017 0.000 1.106 144 D CA 0.038 54.065 54.000 0.045 0.000 0.905 144 D CB 2.363 43.220 40.800 0.096 0.000 1.202 144 D HN 0.256 nan 8.370 nan 0.000 0.426 145 I N 1.667 122.294 120.570 0.095 0.000 2.577 145 I HA 0.241 4.411 4.170 -0.000 0.000 0.305 145 I C -2.360 173.818 176.117 0.101 0.000 0.986 145 I CA -2.498 58.857 61.300 0.092 0.000 1.189 145 I CB 1.866 39.997 38.000 0.217 0.000 1.355 145 I HN 0.003 nan 8.210 nan 0.000 0.476 146 P HA -0.066 nan 4.420 nan 0.000 0.264 146 P C -0.343 177.046 177.300 0.148 0.000 1.183 146 P CA 0.288 63.381 63.100 -0.012 0.000 0.763 146 P CB 0.162 31.863 31.700 0.002 0.000 0.807 147 Y N 0.439 120.764 120.300 0.042 0.000 2.207 147 Y HA -0.122 4.428 4.550 -0.000 0.000 0.287 147 Y C 2.165 178.084 175.900 0.032 0.000 1.156 147 Y CA 1.247 59.368 58.100 0.035 0.000 1.182 147 Y CB -1.423 37.051 38.460 0.023 0.000 0.979 147 Y HN 0.260 nan 8.280 nan 0.000 0.521 148 S N -0.629 115.178 115.700 0.179 0.000 2.575 148 S HA -0.004 4.466 4.470 -0.000 0.000 0.215 148 S C 0.572 175.229 174.600 0.095 0.000 0.966 148 S CA -0.330 57.937 58.200 0.111 0.000 0.911 148 S CB -0.285 62.963 63.200 0.079 0.000 0.780 148 S HN 0.378 nan 8.310 nan 0.000 0.514 149 E N 3.635 123.902 120.200 0.112 0.000 2.299 149 E HA 0.073 4.423 4.350 -0.000 0.000 0.272 149 E C -2.349 174.322 176.600 0.119 0.000 1.043 149 E CA -1.930 54.538 56.400 0.112 0.000 0.895 149 E CB 0.612 30.390 29.700 0.130 0.000 1.011 149 E HN 0.127 nan 8.360 nan 0.000 0.432 150 P HA 0.165 nan 4.420 nan 0.000 0.274 150 P C -0.560 176.813 177.300 0.121 0.000 1.237 150 P CA -0.093 63.075 63.100 0.113 0.000 0.793 150 P CB 1.112 32.870 31.700 0.098 0.000 0.977 151 I N -0.520 120.122 120.570 0.120 0.000 2.918 151 I HA 0.257 4.427 4.170 -0.000 0.000 0.301 151 I C -0.998 175.141 176.117 0.036 0.000 1.312 151 I CA -1.095 60.255 61.300 0.084 0.000 1.007 151 I CB 2.715 40.749 38.000 0.058 0.000 1.281 151 I HN 0.245 nan 8.210 nan 0.000 0.440 152 E N 7.820 128.016 120.200 -0.006 0.000 2.089 152 E HA 0.222 4.572 4.350 -0.000 0.000 0.284 152 E C -1.808 174.725 176.600 -0.111 0.000 1.023 152 E CA -1.706 54.650 56.400 -0.073 0.000 0.819 152 E CB 0.941 30.620 29.700 -0.035 0.000 1.076 152 E HN 0.414 nan 8.360 nan 0.000 0.396 153 P HA -0.307 nan 4.420 nan 0.000 0.216 153 P C 1.510 178.813 177.300 0.004 0.000 1.154 153 P CA 1.440 64.491 63.100 -0.083 0.000 0.865 153 P CB -0.147 31.402 31.700 -0.252 0.000 0.789 154 C N -0.549 118.722 119.300 -0.048 0.000 2.403 154 C HA -0.054 4.406 4.460 -0.000 0.000 0.282 154 C C 2.521 177.486 174.990 -0.041 0.000 1.297 154 C CA 0.557 59.551 59.018 -0.039 0.000 1.785 154 C CB -2.004 25.752 27.740 0.026 0.000 1.963 154 C HN 0.155 nan 8.230 nan 0.000 0.507 155 K N 0.966 121.345 120.400 -0.036 0.000 2.057 155 K HA 0.034 4.354 4.320 -0.000 0.000 0.206 155 K C 2.065 178.642 176.600 -0.039 0.000 1.050 155 K CA 1.257 57.535 56.287 -0.014 0.000 0.935 155 K CB -0.368 32.138 32.500 0.010 0.000 0.715 155 K HN 0.512 nan 8.250 nan 0.000 0.439 156 L N 0.731 121.861 121.223 -0.155 0.000 2.349 156 L HA -0.099 4.241 4.340 -0.000 0.000 0.220 156 L C 0.925 177.782 176.870 -0.022 0.000 1.130 156 L CA 0.041 54.785 54.840 -0.159 0.000 0.791 156 L CB -0.221 41.809 42.059 -0.050 0.000 0.918 156 L HN 0.103 nan 8.230 nan 0.000 0.444 157 F N 0.727 120.423 119.950 -0.424 0.000 2.572 157 F HA 0.140 4.667 4.527 -0.000 0.000 0.370 157 F C 0.735 176.250 175.800 -0.475 0.000 1.103 157 F CA 0.099 57.544 58.000 -0.926 0.000 1.286 157 F CB 0.330 38.747 39.000 -0.972 0.000 1.105 157 F HN -0.121 nan 8.300 nan 0.000 0.583 158 R N 1.958 121.613 120.500 -1.409 0.000 2.869 158 R HA 0.452 4.792 4.340 -0.000 0.000 0.263 158 R C -1.095 174.574 176.300 -1.051 0.000 1.066 158 R CA -0.982 54.671 56.100 -0.745 0.000 0.960 158 R CB 1.744 31.885 30.300 -0.266 0.000 1.221 158 R HN 0.567 nan 8.270 nan 0.000 0.474 159 S N 0.036 115.507 115.700 -0.381 0.000 2.545 159 S HA 0.572 5.042 4.470 -0.000 0.000 0.275 159 S C -0.658 173.882 174.600 -0.099 0.000 1.299 159 S CA -0.602 57.491 58.200 -0.179 0.000 1.048 159 S CB 0.881 64.074 63.200 -0.012 0.000 0.938 159 S HN 0.240 nan 8.310 nan 0.000 0.496 160 V N 1.995 121.902 119.914 -0.011 0.000 2.962 160 V HA 0.523 4.643 4.120 -0.000 0.000 0.313 160 V C 1.136 177.272 176.094 0.070 0.000 1.099 160 V CA -0.702 61.623 62.300 0.041 0.000 0.971 160 V CB 1.504 33.376 31.823 0.083 0.000 1.028 160 V HN 0.936 nan 8.190 nan 0.000 0.430 161 A N 2.693 125.544 122.820 0.051 0.000 1.906 161 A HA -0.209 4.111 4.320 -0.000 0.000 0.222 161 A C 2.118 179.746 177.584 0.073 0.000 1.282 161 A CA 3.017 55.085 52.037 0.051 0.000 0.675 161 A CB -1.412 17.610 19.000 0.036 0.000 0.838 161 A HN 1.417 nan 8.150 nan 0.000 0.469 162 G N -0.030 108.823 108.800 0.088 0.000 2.844 162 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.211 162 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.211 162 G C 0.796 175.777 174.900 0.136 0.000 1.368 162 G CA 1.000 46.166 45.100 0.111 0.000 0.815 162 G HN 0.935 nan 8.290 nan 0.000 0.649 163 Q N -0.247 119.669 119.800 0.193 0.000 2.303 163 Q HA 0.452 4.792 4.340 -0.000 0.000 0.257 163 Q C 0.608 176.751 176.000 0.240 0.000 0.941 163 Q CA 0.101 56.033 55.803 0.215 0.000 0.931 163 Q CB 1.681 30.583 28.738 0.274 0.000 1.215 163 Q HN 0.189 nan 8.270 nan 0.000 0.437 164 T N 1.987 116.646 114.554 0.175 0.000 2.821 164 T HA 0.064 4.414 4.350 -0.000 0.000 0.267 164 T C 0.627 175.471 174.700 0.239 0.000 1.046 164 T CA 1.373 63.570 62.100 0.162 0.000 1.139 164 T CB -0.188 68.738 68.868 0.097 0.000 0.871 164 T HN 0.769 nan 8.240 nan 0.000 0.454 165 G N -0.777 108.150 108.800 0.211 0.000 3.042 165 G HA2 0.486 4.446 3.960 -0.000 0.000 0.278 165 G HA3 0.486 4.446 3.960 -0.000 0.000 0.278 165 G C 0.117 174.912 174.900 -0.175 0.000 1.371 165 G CA -0.287 44.891 45.100 0.130 0.000 1.009 165 G HN 0.231 nan 8.290 nan 0.000 0.523 166 N N -1.543 116.793 118.700 -0.607 0.000 2.724 166 N HA 0.069 4.809 4.740 -0.000 0.000 0.226 166 N C 1.930 177.336 175.510 -0.174 0.000 1.030 166 N CA 0.006 52.585 53.050 -0.785 0.000 1.038 166 N CB 0.194 37.834 38.487 -1.412 0.000 1.475 166 N HN 0.267 nan 8.380 nan 0.000 0.472 167 I N 1.661 122.127 120.570 -0.173 0.000 2.315 167 I HA -0.017 4.153 4.170 -0.000 0.000 0.248 167 I C -0.816 175.284 176.117 -0.028 0.000 1.117 167 I CA 0.988 62.232 61.300 -0.094 0.000 1.404 167 I CB -2.059 35.801 38.000 -0.233 0.000 1.071 167 I HN 0.166 nan 8.210 nan 0.000 0.419 168 P HA -0.144 nan 4.420 nan 0.000 0.216 168 P C 1.958 179.262 177.300 0.006 0.000 1.150 168 P CA 1.176 64.262 63.100 -0.023 0.000 0.837 168 P CB -0.087 31.602 31.700 -0.018 0.000 0.786 169 M N -1.868 117.740 119.600 0.013 0.000 2.446 169 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 169 M C 2.010 178.314 176.300 0.007 0.000 1.066 169 M CA 1.314 56.608 55.300 -0.009 0.000 1.087 169 M CB -1.218 31.353 32.600 -0.049 0.000 1.406 169 M HN 0.120 nan 8.290 nan 0.000 0.459 170 M N -0.333 119.364 119.600 0.161 0.000 2.159 170 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 170 M C 1.910 178.261 176.300 0.084 0.000 1.063 170 M CA 1.993 57.450 55.300 0.263 0.000 1.110 170 M CB -0.474 32.281 32.600 0.258 0.000 1.374 170 M HN 0.270 nan 8.290 nan 0.000 0.411 171 G N 0.497 109.315 108.800 0.030 0.000 2.418 171 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 171 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 171 G C 1.189 176.079 174.900 -0.017 0.000 1.158 171 G CA 0.932 46.033 45.100 0.001 0.000 0.771 171 G HN 0.450 nan 8.290 nan 0.000 0.545 172 I N 0.841 121.392 120.570 -0.031 0.000 2.286 172 I HA -0.014 4.156 4.170 -0.000 0.000 0.245 172 I C 2.563 178.625 176.117 -0.092 0.000 1.104 172 I CA 0.582 61.852 61.300 -0.051 0.000 1.397 172 I CB -0.330 37.641 38.000 -0.048 0.000 1.072 172 I HN 0.076 nan 8.210 nan 0.000 0.417 173 L N 0.074 121.211 121.223 -0.144 0.000 2.353 173 L HA -0.153 4.187 4.340 -0.000 0.000 0.220 173 L C 2.376 179.167 176.870 -0.131 0.000 1.133 173 L CA 0.979 55.679 54.840 -0.234 0.000 0.798 173 L CB -0.713 41.122 42.059 -0.373 0.000 0.922 173 L HN 0.259 nan 8.230 nan 0.000 0.445 174 A N -1.224 121.559 122.820 -0.061 0.000 2.095 174 A HA 0.062 4.381 4.320 -0.000 0.000 0.212 174 A C 1.162 178.729 177.584 -0.029 0.000 1.162 174 A CA 0.256 52.276 52.037 -0.029 0.000 0.753 174 A CB -0.159 18.839 19.000 -0.003 0.000 0.840 174 A HN 0.247 nan 8.150 nan 0.000 0.468 175 T N 3.314 117.848 114.554 -0.034 0.000 2.737 175 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 175 T C -2.497 172.188 174.700 -0.025 0.000 0.922 175 T CA -0.788 61.297 62.100 -0.025 0.000 1.079 175 T CB 0.770 69.625 68.868 -0.022 0.000 0.892 175 T HN 0.112 nan 8.240 nan 0.000 0.514 176 P HA 0.077 nan 4.420 nan 0.000 0.267 176 P C -2.181 175.113 177.300 -0.010 0.000 1.195 176 P CA -0.760 62.332 63.100 -0.012 0.000 0.773 176 P CB -0.058 31.639 31.700 -0.006 0.000 0.837 177 P HA 0.278 nan 4.420 nan 0.000 0.283 177 P C -0.602 176.703 177.300 0.007 0.000 1.271 177 P CA -0.416 62.685 63.100 0.001 0.000 0.841 177 P CB 1.786 33.490 31.700 0.006 0.000 1.122 178 A N 1.064 123.890 122.820 0.011 0.000 1.909 178 A HA 0.537 4.857 4.320 -0.000 0.000 0.210 178 A C 1.223 178.818 177.584 0.018 0.000 1.273 178 A CA 1.243 53.288 52.037 0.012 0.000 0.654 178 A CB -0.932 18.075 19.000 0.012 0.000 0.945 178 A HN 0.696 nan 8.150 nan 0.000 0.471 179 A N -0.956 121.877 122.820 0.022 0.000 2.637 179 A HA 0.628 4.948 4.320 -0.000 0.000 0.258 179 A C -0.132 177.474 177.584 0.037 0.000 1.250 179 A CA -0.310 51.743 52.037 0.028 0.000 0.931 179 A CB 0.226 19.243 19.000 0.028 0.000 1.488 179 A HN 0.314 nan 8.150 nan 0.000 0.464 180 Q N 0.861 120.687 119.800 0.043 0.000 2.490 180 Q HA 0.236 4.576 4.340 -0.000 0.000 0.226 180 Q C -0.484 175.554 176.000 0.062 0.000 1.132 180 Q CA -0.196 55.641 55.803 0.057 0.000 0.928 180 Q CB -0.015 28.757 28.738 0.057 0.000 1.299 180 Q HN 0.662 nan 8.270 nan 0.000 0.528 181 Q N 1.424 121.264 119.800 0.067 0.000 2.535 181 Q HA 0.064 4.404 4.340 -0.000 0.000 0.228 181 Q C -0.035 176.023 176.000 0.096 0.000 1.062 181 Q CA -0.165 55.682 55.803 0.073 0.000 0.967 181 Q CB 0.584 29.362 28.738 0.067 0.000 1.273 181 Q HN 0.556 nan 8.270 nan 0.000 0.554 182 Q N 1.734 121.591 119.800 0.096 0.000 2.428 182 Q HA 0.061 4.401 4.340 -0.000 0.000 0.276 182 Q C -1.987 174.113 176.000 0.166 0.000 1.059 182 Q CA -0.704 55.164 55.803 0.109 0.000 0.923 182 Q CB -0.236 28.564 28.738 0.103 0.000 1.283 182 Q HN 0.405 nan 8.270 nan 0.000 0.447 183 P HA 0.116 nan 4.420 nan 0.000 0.275 183 P C -0.929 176.553 177.300 0.303 0.000 1.228 183 P CA -0.032 63.207 63.100 0.231 0.000 0.786 183 P CB 0.249 32.055 31.700 0.176 0.000 0.927 184 F N 0.374 120.440 119.950 0.193 0.000 2.495 184 F HA 0.692 5.219 4.527 -0.000 0.000 0.327 184 F C -1.439 174.501 175.800 0.234 0.000 1.103 184 F CA -1.477 56.620 58.000 0.162 0.000 0.949 184 F CB 1.327 40.336 39.000 0.015 0.000 1.142 184 F HN 0.093 nan 8.300 nan 0.000 0.457 185 F N 5.330 125.375 119.950 0.157 0.000 2.513 185 F HA 0.659 5.186 4.527 -0.000 0.000 0.358 185 F C -1.320 174.687 175.800 0.346 0.000 1.118 185 F CA -0.829 57.252 58.000 0.134 0.000 1.037 185 F CB 1.223 40.297 39.000 0.124 0.000 1.276 185 F HN 0.653 nan 8.300 nan 0.000 0.446 186 V N 4.293 124.319 119.914 0.186 0.000 3.113 186 V HA 0.968 5.088 4.120 -0.000 0.000 0.316 186 V C -1.192 175.021 176.094 0.198 0.000 1.125 186 V CA -0.444 61.982 62.300 0.210 0.000 1.026 186 V CB 2.068 33.818 31.823 -0.122 0.000 1.080 186 V HN 0.805 nan 8.190 nan 0.000 0.444 187 A N 2.910 125.891 122.820 0.268 0.000 2.498 187 A HA 0.866 5.186 4.320 -0.000 0.000 0.298 187 A C -0.722 176.943 177.584 0.135 0.000 1.075 187 A CA -0.649 51.512 52.037 0.207 0.000 0.714 187 A CB 1.812 20.985 19.000 0.288 0.000 1.299 187 A HN 0.849 nan 8.150 nan 0.000 0.407 188 E N -0.201 119.924 120.200 -0.124 0.000 2.672 188 E HA 0.424 4.774 4.350 -0.000 0.000 0.235 188 E C 0.718 177.141 176.600 -0.295 0.000 0.906 188 E CA -0.936 55.164 56.400 -0.500 0.000 0.973 188 E CB 0.879 30.125 29.700 -0.757 0.000 1.478 188 E HN 0.593 nan 8.360 nan 0.000 0.430 189 R N 0.437 120.752 120.500 -0.310 0.000 2.052 189 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 189 R C 1.981 178.172 176.300 -0.182 0.000 1.145 189 R CA 0.983 56.993 56.100 -0.150 0.000 0.952 189 R CB 0.038 30.298 30.300 -0.066 0.000 0.847 189 R HN 0.206 nan 8.270 nan 0.000 0.431 190 R N 0.781 121.180 120.500 -0.169 0.000 2.427 190 R HA 0.083 4.423 4.340 -0.000 0.000 0.262 190 R C -0.692 175.551 176.300 -0.096 0.000 0.943 190 R CA -0.032 56.006 56.100 -0.102 0.000 1.081 190 R CB 0.330 30.621 30.300 -0.015 0.000 1.166 190 R HN 0.098 nan 8.270 nan 0.000 0.534 191 R N -0.788 119.579 120.500 -0.222 0.000 2.634 191 R HA 0.292 4.632 4.340 -0.000 0.000 0.263 191 R C -1.671 174.511 176.300 -0.196 0.000 1.060 191 R CA -0.814 55.212 56.100 -0.125 0.000 0.898 191 R CB 0.719 31.017 30.300 -0.002 0.000 1.253 191 R HN 0.008 nan 8.270 nan 0.000 0.461 192 I N 3.234 123.771 120.570 -0.055 0.000 2.460 192 I HA 0.570 4.740 4.170 -0.000 0.000 0.298 192 I C -1.465 174.595 176.117 -0.096 0.000 0.989 192 I CA -1.472 59.807 61.300 -0.036 0.000 1.173 192 I CB 1.636 39.715 38.000 0.132 0.000 1.338 192 I HN 0.708 nan 8.210 nan 0.000 0.456 193 L N 5.806 126.906 121.223 -0.205 0.000 2.466 193 L HA 0.723 5.063 4.340 -0.000 0.000 0.258 193 L C -1.108 175.450 176.870 -0.520 0.000 0.973 193 L CA -0.620 54.023 54.840 -0.329 0.000 0.826 193 L CB 1.429 43.341 42.059 -0.244 0.000 1.372 193 L HN 0.584 nan 8.230 nan 0.000 0.409 194 F N -0.944 118.455 119.950 -0.919 0.000 2.692 194 F HA 1.094 5.621 4.527 -0.000 0.000 0.320 194 F C 0.196 175.183 175.800 -1.356 0.000 1.123 194 F CA -0.240 56.991 58.000 -1.282 0.000 0.961 194 F CB 1.717 40.004 39.000 -1.189 0.000 1.383 194 F HN 0.982 nan 8.300 nan 0.000 0.483 195 G N 0.234 108.128 108.800 -1.510 0.000 2.333 195 G HA2 0.444 4.404 3.960 -0.000 0.000 0.288 195 G HA3 0.444 4.404 3.960 -0.000 0.000 0.288 195 G C -2.411 172.186 174.900 -0.504 0.000 1.286 195 G CA -0.803 43.580 45.100 -1.194 0.000 0.865 195 G HN 0.865 nan 8.290 nan 0.000 0.506 196 I N 0.724 121.028 120.570 -0.444 0.000 2.569 196 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 196 I C -0.157 176.073 176.117 0.188 0.000 1.088 196 I CA -0.964 60.392 61.300 0.093 0.000 1.047 196 I CB 2.455 40.592 38.000 0.228 0.000 1.237 196 I HN 0.651 nan 8.210 nan 0.000 0.421 197 R N 3.658 124.280 120.500 0.205 0.000 2.514 197 R HA 0.854 5.194 4.340 -0.000 0.000 0.301 197 R C -0.912 175.450 176.300 0.103 0.000 0.962 197 R CA -0.698 55.483 56.100 0.135 0.000 0.882 197 R CB 2.278 32.605 30.300 0.045 0.000 1.143 197 R HN 0.568 nan 8.270 nan 0.000 0.452 198 S N 0.243 115.997 115.700 0.089 0.000 2.596 198 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 198 S C -0.108 174.518 174.600 0.044 0.000 1.155 198 S CA -0.812 57.426 58.200 0.063 0.000 0.827 198 S CB 1.470 64.710 63.200 0.067 0.000 1.130 198 S HN 0.855 nan 8.310 nan 0.000 0.467 199 N N 1.468 120.187 118.700 0.032 0.000 2.392 199 N HA 0.211 4.951 4.740 -0.000 0.000 0.177 199 N C 0.167 175.689 175.510 0.020 0.000 1.066 199 N CA 0.358 53.421 53.050 0.022 0.000 0.895 199 N CB -0.109 38.388 38.487 0.017 0.000 0.988 199 N HN 0.566 nan 8.380 nan 0.000 0.457 200 A N 0.353 123.187 122.820 0.023 0.000 2.342 200 A HA 0.786 5.106 4.320 -0.000 0.000 0.323 200 A C 0.124 177.719 177.584 0.018 0.000 1.125 200 A CA -0.522 51.526 52.037 0.018 0.000 0.785 200 A CB 1.096 20.107 19.000 0.019 0.000 1.221 200 A HN 0.397 nan 8.150 nan 0.000 0.463 201 A N 1.193 124.018 122.820 0.008 0.000 2.639 201 A HA 0.327 4.647 4.320 -0.000 0.000 0.229 201 A C -0.162 177.420 177.584 -0.005 0.000 1.062 201 A CA 0.612 52.647 52.037 -0.004 0.000 0.761 201 A CB -0.424 18.570 19.000 -0.011 0.000 0.988 201 A HN 0.750 nan 8.150 nan 0.000 0.510 202 I N 3.511 124.060 120.570 -0.036 0.000 2.339 202 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 202 I C -1.864 174.241 176.117 -0.021 0.000 0.994 202 I CA -2.131 59.137 61.300 -0.053 0.000 1.191 202 I CB 1.685 39.572 38.000 -0.188 0.000 1.343 202 I HN 0.442 nan 8.210 nan 0.000 0.458 203 P HA -0.020 nan 4.420 nan 0.000 0.254 203 P C -0.217 177.167 177.300 0.140 0.000 1.186 203 P CA -0.142 63.015 63.100 0.095 0.000 0.868 203 P CB 0.098 31.863 31.700 0.109 0.000 0.856 204 A N 3.883 126.741 122.820 0.062 0.000 2.519 204 A HA 0.326 4.646 4.320 -0.000 0.000 0.275 204 A C 1.151 178.786 177.584 0.086 0.000 1.082 204 A CA 1.048 53.124 52.037 0.065 0.000 0.841 204 A CB -1.021 17.989 19.000 0.018 0.000 0.984 204 A HN 0.708 nan 8.150 nan 0.000 0.531 205 G N 0.638 109.527 108.800 0.148 0.000 3.008 205 G HA2 0.700 4.660 3.960 -0.000 0.000 0.148 205 G HA3 0.700 4.660 3.960 -0.000 0.000 0.148 205 G C -0.537 174.301 174.900 -0.103 0.000 1.184 205 G CA 0.224 45.307 45.100 -0.028 0.000 1.087 205 G HN 1.700 nan 8.290 nan 0.000 0.602 206 A N -0.460 122.128 122.820 -0.387 0.000 2.319 206 A HA 0.806 5.126 4.320 -0.000 0.000 0.310 206 A C -1.784 175.424 177.584 -0.626 0.000 1.152 206 A CA -0.425 51.434 52.037 -0.296 0.000 0.783 206 A CB 0.547 19.449 19.000 -0.164 0.000 1.184 206 A HN 0.532 nan 8.150 nan 0.000 0.474 207 Y N 0.459 120.810 120.300 0.085 0.000 2.409 207 Y HA 0.559 5.109 4.550 -0.000 0.000 0.343 207 Y C 0.273 176.189 175.900 0.026 0.000 0.973 207 Y CA -0.482 57.637 58.100 0.032 0.000 1.064 207 Y CB 2.248 40.746 38.460 0.062 0.000 1.207 207 Y HN 0.739 nan 8.280 nan 0.000 0.452 208 Q N 2.901 122.706 119.800 0.008 0.000 2.325 208 Q HA 0.534 4.874 4.340 -0.000 0.000 0.262 208 Q C -2.016 173.880 176.000 -0.173 0.000 0.968 208 Q CA -0.489 55.311 55.803 -0.004 0.000 0.877 208 Q CB 0.734 29.464 28.738 -0.013 0.000 1.253 208 Q HN 0.604 nan 8.270 nan 0.000 0.448 209 F N 3.008 122.987 119.950 0.048 0.000 2.444 209 F HA 0.381 4.908 4.527 -0.000 0.000 0.342 209 F C -0.317 175.413 175.800 -0.117 0.000 1.121 209 F CA -0.910 57.079 58.000 -0.017 0.000 0.997 209 F CB 1.532 40.484 39.000 -0.080 0.000 1.130 209 F HN 0.229 nan 8.300 nan 0.000 0.454 210 V N 4.336 124.262 119.914 0.020 0.000 2.498 210 V HA 0.232 4.352 4.120 -0.000 0.000 0.279 210 V C 0.035 175.961 176.094 -0.281 0.000 1.048 210 V CA -0.849 61.390 62.300 -0.102 0.000 0.967 210 V CB 1.059 32.828 31.823 -0.090 0.000 0.988 210 V HN 0.464 nan 8.190 nan 0.000 0.473 211 V N 7.337 127.018 119.914 -0.388 0.000 2.455 211 V HA 0.224 4.344 4.120 -0.000 0.000 0.273 211 V C -1.913 173.785 176.094 -0.660 0.000 1.045 211 V CA -1.453 60.410 62.300 -0.729 0.000 0.976 211 V CB 0.875 32.367 31.823 -0.551 0.000 0.993 211 V HN 0.805 nan 8.190 nan 0.000 0.475 212 P HA 0.107 nan 4.420 nan 0.000 0.267 212 P C 0.794 177.731 177.300 -0.606 0.000 1.200 212 P CA 0.137 62.851 63.100 -0.644 0.000 0.772 212 P CB 0.727 31.988 31.700 -0.731 0.000 0.855 213 A N 4.513 127.153 122.820 -0.300 0.000 1.903 213 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 213 A C 1.950 179.445 177.584 -0.148 0.000 1.191 213 A CA 2.048 53.980 52.037 -0.174 0.000 0.638 213 A CB -1.760 17.208 19.000 -0.052 0.000 0.823 213 A HN 0.864 nan 8.150 nan 0.000 0.451 214 W N -1.050 120.174 121.300 -0.126 0.000 2.363 214 W HA 0.024 4.684 4.660 -0.000 0.000 0.296 214 W C 1.831 178.322 176.519 -0.047 0.000 1.212 214 W CA 1.294 58.581 57.345 -0.097 0.000 1.260 214 W CB -1.107 28.254 29.460 -0.166 0.000 1.131 214 W HN 0.413 nan 8.180 nan 0.000 0.530 215 A N 1.315 123.614 122.820 -0.868 0.000 2.178 215 A HA -0.008 4.312 4.320 -0.000 0.000 0.211 215 A C 1.892 179.268 177.584 -0.348 0.000 1.157 215 A CA 1.033 52.658 52.037 -0.687 0.000 0.780 215 A CB -0.992 17.261 19.000 -1.245 0.000 0.828 215 A HN 0.305 nan 8.150 nan 0.000 0.476 216 S N 0.033 115.533 115.700 -0.333 0.000 2.954 216 S HA 0.160 4.630 4.470 -0.000 0.000 0.234 216 S C 0.769 175.307 174.600 -0.102 0.000 0.978 216 S CA 0.676 58.751 58.200 -0.208 0.000 1.045 216 S CB -0.837 62.242 63.200 -0.201 0.000 0.807 216 S HN 1.135 nan 8.310 nan 0.000 0.508 217 V N -3.606 116.269 119.914 -0.065 0.000 3.372 217 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 217 V C -0.036 176.060 176.094 0.002 0.000 1.530 217 V CA -0.534 61.755 62.300 -0.018 0.000 1.080 217 V CB -0.575 31.257 31.823 0.014 0.000 0.929 217 V HN 0.392 nan 8.190 nan 0.000 0.455 218 L N 1.491 122.719 121.223 0.008 0.000 2.439 218 L HA 0.781 5.121 4.340 -0.000 0.000 0.259 218 L C 0.330 177.178 176.870 -0.037 0.000 1.129 218 L CA 0.072 54.945 54.840 0.054 0.000 0.803 218 L CB 1.598 43.766 42.059 0.181 0.000 1.161 218 L HN 0.346 nan 8.230 nan 0.000 0.462 219 S N 0.690 116.327 115.700 -0.106 0.000 2.543 219 S HA 0.654 5.124 4.470 -0.000 0.000 0.271 219 S C -1.169 173.170 174.600 -0.435 0.000 1.148 219 S CA -0.676 57.380 58.200 -0.240 0.000 0.914 219 S CB 1.557 64.670 63.200 -0.146 0.000 1.096 219 S HN 0.423 nan 8.310 nan 0.000 0.471 220 V N 1.661 121.175 119.914 -0.667 0.000 2.769 220 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 220 V C -0.059 175.733 176.094 -0.503 0.000 1.061 220 V CA -0.319 61.517 62.300 -0.774 0.000 0.931 220 V CB 1.184 32.305 31.823 -1.170 0.000 1.010 220 V HN 1.087 nan 8.190 nan 0.000 0.433 221 T N -1.208 113.137 114.554 -0.349 0.000 2.906 221 T HA 0.691 5.041 4.350 -0.000 0.000 0.295 221 T C 0.722 175.310 174.700 -0.187 0.000 1.075 221 T CA 0.030 62.006 62.100 -0.208 0.000 1.005 221 T CB 1.237 70.028 68.868 -0.129 0.000 1.136 221 T HN 2.606 nan 8.240 nan 0.000 0.498 222 G N 0.538 109.253 108.800 -0.143 0.000 2.395 222 G HA2 0.185 4.145 3.960 -0.000 0.000 0.300 222 G HA3 0.185 4.145 3.960 -0.000 0.000 0.300 222 G C 0.292 175.049 174.900 -0.238 0.000 0.998 222 G CA 0.164 45.162 45.100 -0.172 0.000 1.046 222 G HN 1.468 nan 8.290 nan 0.000 0.513 223 A N -0.112 122.598 122.820 -0.183 0.000 2.324 223 A HA 0.807 5.127 4.320 -0.000 0.000 0.330 223 A C -0.349 177.250 177.584 0.023 0.000 1.165 223 A CA -0.728 51.242 52.037 -0.113 0.000 0.813 223 A CB 1.076 20.009 19.000 -0.111 0.000 1.197 223 A HN 0.499 nan 8.150 nan 0.000 0.484 224 Y N 0.932 121.333 120.300 0.168 0.000 2.361 224 Y HA 0.501 5.051 4.550 -0.000 0.000 0.332 224 Y C -0.081 175.960 175.900 0.234 0.000 1.101 224 Y CA -0.904 57.331 58.100 0.224 0.000 1.137 224 Y CB 2.222 40.846 38.460 0.273 0.000 1.207 224 Y HN 0.358 nan 8.280 nan 0.000 0.463 225 V N 4.868 125.011 119.914 0.381 0.000 2.376 225 V HA 0.292 4.412 4.120 -0.000 0.000 0.287 225 V C -0.966 175.188 176.094 0.100 0.000 1.015 225 V CA -0.897 61.487 62.300 0.139 0.000 0.834 225 V CB 0.211 32.142 31.823 0.181 0.000 1.001 225 V HN 0.681 nan 8.190 nan 0.000 0.428 226 Y N 2.370 122.646 120.300 -0.040 0.000 2.693 226 Y HA 0.834 5.383 4.550 -0.000 0.000 0.331 226 Y C -1.022 174.764 175.900 -0.190 0.000 1.092 226 Y CA -2.054 56.005 58.100 -0.069 0.000 1.131 226 Y CB 1.155 39.625 38.460 0.016 0.000 1.318 226 Y HN 0.327 nan 8.280 nan 0.000 0.510 227 F N 0.649 120.710 119.950 0.185 0.000 2.408 227 F HA 0.605 5.132 4.527 -0.000 0.000 0.344 227 F C 0.444 176.342 175.800 0.164 0.000 1.112 227 F CA -0.108 57.941 58.000 0.081 0.000 1.096 227 F CB 1.941 40.995 39.000 0.090 0.000 1.129 227 F HN 0.685 nan 8.300 nan 0.000 0.486 228 T N 1.449 116.162 114.554 0.265 0.000 2.816 228 T HA 0.276 4.626 4.350 -0.000 0.000 0.299 228 T C -0.118 174.671 174.700 0.150 0.000 1.230 228 T CA -0.725 61.512 62.100 0.229 0.000 1.007 228 T CB 1.104 70.130 68.868 0.263 0.000 1.289 228 T HN 0.633 nan 8.240 nan 0.000 0.508 229 N N 0.246 119.022 118.700 0.127 0.000 2.171 229 N HA 0.221 4.961 4.740 -0.000 0.000 0.212 229 N C 0.121 175.682 175.510 0.084 0.000 1.184 229 N CA -0.293 52.810 53.050 0.088 0.000 0.888 229 N CB 0.588 39.117 38.487 0.070 0.000 1.038 229 N HN 0.469 nan 8.380 nan 0.000 0.517 230 S N -0.585 115.181 115.700 0.111 0.000 2.704 230 S HA 0.716 5.186 4.470 -0.000 0.000 0.305 230 S C -1.020 173.706 174.600 0.209 0.000 1.107 230 S CA -0.860 57.416 58.200 0.128 0.000 0.993 230 S CB 1.474 64.732 63.200 0.098 0.000 1.110 230 S HN 0.174 nan 8.310 nan 0.000 0.534 231 F N 1.302 121.261 119.950 0.016 0.000 3.287 231 F HA 0.487 5.014 4.527 -0.000 0.000 0.379 231 F C -0.805 175.077 175.800 0.138 0.000 1.268 231 F CA -1.665 56.343 58.000 0.013 0.000 1.220 231 F CB -0.171 38.843 39.000 0.024 0.000 1.687 231 F HN 0.774 nan 8.300 nan 0.000 0.648 232 F N 4.031 123.780 119.950 -0.334 0.000 2.965 232 F HA -0.113 4.414 4.527 -0.000 0.000 0.287 232 F C 1.393 177.081 175.800 -0.186 0.000 0.790 232 F CA 1.198 58.977 58.000 -0.368 0.000 1.279 232 F CB -0.967 37.656 39.000 -0.629 0.000 1.409 232 F HN 1.193 nan 8.300 nan 0.000 0.446 233 G N 0.095 108.918 108.800 0.038 0.000 2.136 233 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 233 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 233 G C 0.008 174.934 174.900 0.044 0.000 0.989 233 G CA 0.298 45.422 45.100 0.040 0.000 0.682 233 G HN 0.548 nan 8.290 nan 0.000 0.522 234 T N 1.826 116.419 114.554 0.066 0.000 2.779 234 T HA 0.589 4.939 4.350 -0.000 0.000 0.280 234 T C 0.661 175.414 174.700 0.089 0.000 0.987 234 T CA -0.618 61.522 62.100 0.068 0.000 0.966 234 T CB 1.447 70.361 68.868 0.076 0.000 0.933 234 T HN 0.202 nan 8.240 nan 0.000 0.442 235 I N 3.970 124.573 120.570 0.056 0.000 2.618 235 I HA 0.189 4.359 4.170 -0.000 0.000 0.284 235 I C 0.483 176.620 176.117 0.035 0.000 1.146 235 I CA -0.205 61.123 61.300 0.047 0.000 1.425 235 I CB -0.010 38.007 38.000 0.029 0.000 1.383 235 I HN 0.561 nan 8.210 nan 0.000 0.562 236 I N 5.146 125.730 120.570 0.023 0.000 2.359 236 I HA 0.471 4.641 4.170 -0.000 0.000 0.294 236 I C 0.478 176.578 176.117 -0.029 0.000 0.987 236 I CA -0.530 60.750 61.300 -0.033 0.000 1.225 236 I CB 1.570 39.521 38.000 -0.083 0.000 1.366 236 I HN 0.636 nan 8.210 nan 0.000 0.466 237 A N 4.023 126.815 122.820 -0.046 0.000 2.306 237 A HA 0.732 5.052 4.320 -0.000 0.000 0.330 237 A C 0.720 178.286 177.584 -0.029 0.000 1.146 237 A CA 0.037 52.059 52.037 -0.026 0.000 0.827 237 A CB 0.908 19.895 19.000 -0.022 0.000 1.178 237 A HN 1.186 nan 8.150 nan 0.000 0.490 238 G N -0.465 108.333 108.800 -0.002 0.000 2.248 238 G HA2 0.111 4.071 3.960 -0.000 0.000 0.252 238 G HA3 0.111 4.071 3.960 -0.000 0.000 0.252 238 G C -0.342 174.584 174.900 0.044 0.000 1.085 238 G CA 0.089 45.199 45.100 0.016 0.000 0.845 238 G HN 1.651 nan 8.290 nan 0.000 0.494 239 V N -0.393 119.548 119.914 0.046 0.000 2.817 239 V HA 0.638 4.758 4.120 -0.000 0.000 0.303 239 V C 0.092 176.221 176.094 0.060 0.000 1.151 239 V CA -0.471 61.877 62.300 0.079 0.000 0.929 239 V CB 2.184 34.053 31.823 0.078 0.000 1.030 239 V HN 0.399 nan 8.190 nan 0.000 0.427 240 T N 3.131 117.719 114.554 0.057 0.000 2.795 240 T HA 0.590 4.940 4.350 -0.000 0.000 0.282 240 T C 0.709 175.398 174.700 -0.020 0.000 0.980 240 T CA 0.368 62.468 62.100 0.001 0.000 1.012 240 T CB 1.798 70.640 68.868 -0.043 0.000 0.936 240 T HN 0.935 nan 8.240 nan 0.000 0.457 241 A N 2.550 125.364 122.820 -0.009 0.000 2.431 241 A HA 0.342 4.662 4.320 -0.000 0.000 0.239 241 A C 1.137 178.700 177.584 -0.036 0.000 1.230 241 A CA -0.224 51.821 52.037 0.012 0.000 0.928 241 A CB 0.029 19.069 19.000 0.066 0.000 1.006 241 A HN 0.686 nan 8.150 nan 0.000 0.520 242 T N 1.570 116.088 114.554 -0.060 0.000 2.918 242 T HA 0.543 4.893 4.350 -0.000 0.000 0.302 242 T C 0.061 174.700 174.700 -0.102 0.000 1.045 242 T CA 0.847 62.910 62.100 -0.060 0.000 1.114 242 T CB 1.140 69.979 68.868 -0.049 0.000 0.965 242 T HN 0.937 nan 8.240 nan 0.000 0.540 243 A N 2.090 124.870 122.820 -0.067 0.000 2.599 243 A HA 0.676 4.996 4.320 -0.000 0.000 0.294 243 A C -0.493 177.072 177.584 -0.031 0.000 1.055 243 A CA -0.953 51.044 52.037 -0.067 0.000 0.683 243 A CB 1.381 20.342 19.000 -0.065 0.000 1.278 243 A HN 0.669 nan 8.150 nan 0.000 0.412 244 T N 1.005 115.544 114.554 -0.024 0.000 2.887 244 T HA 0.576 4.926 4.350 -0.000 0.000 0.288 244 T C 1.360 176.060 174.700 -0.001 0.000 1.021 244 T CA 0.194 62.287 62.100 -0.012 0.000 1.000 244 T CB 1.739 70.599 68.868 -0.014 0.000 1.034 244 T HN 1.631 nan 8.240 nan 0.000 0.467 245 A N 1.356 124.177 122.820 0.002 0.000 2.139 245 A HA 0.053 4.373 4.320 -0.000 0.000 0.221 245 A C 2.156 179.744 177.584 0.008 0.000 1.159 245 A CA 1.818 53.859 52.037 0.007 0.000 0.662 245 A CB -0.742 18.261 19.000 0.005 0.000 0.796 245 A HN 0.919 nan 8.150 nan 0.000 0.463 246 A N -0.648 122.174 122.820 0.003 0.000 2.095 246 A HA 0.237 4.557 4.320 -0.000 0.000 0.212 246 A C 0.472 178.059 177.584 0.005 0.000 1.162 246 A CA 0.201 52.240 52.037 0.003 0.000 0.753 246 A CB -0.201 18.799 19.000 -0.000 0.000 0.840 246 A HN 0.419 nan 8.150 nan 0.000 0.468 247 D N 0.671 121.072 120.400 0.002 0.000 2.515 247 D HA 0.311 4.951 4.640 -0.000 0.000 0.230 247 D C 0.393 176.702 176.300 0.016 0.000 1.181 247 D CA 1.266 55.267 54.000 0.002 0.000 0.875 247 D CB 0.479 41.276 40.800 -0.005 0.000 1.213 247 D HN 0.401 nan 8.370 nan 0.000 0.478 248 A N 1.616 124.446 122.820 0.017 0.000 2.362 248 A HA 0.560 4.880 4.320 -0.000 0.000 0.276 248 A C 0.356 177.968 177.584 0.048 0.000 1.153 248 A CA -0.398 51.655 52.037 0.027 0.000 0.813 248 A CB 0.210 19.223 19.000 0.022 0.000 1.081 248 A HN 0.661 nan 8.150 nan 0.000 0.507 249 A N 3.123 125.975 122.820 0.053 0.000 2.609 249 A HA 0.408 4.728 4.320 -0.000 0.000 0.232 249 A C 0.710 178.354 177.584 0.099 0.000 1.041 249 A CA 0.837 52.919 52.037 0.076 0.000 0.753 249 A CB -0.340 18.695 19.000 0.058 0.000 0.966 249 A HN 0.864 nan 8.150 nan 0.000 0.510 250 T N 1.981 116.625 114.554 0.150 0.000 2.797 250 T HA 0.670 5.020 4.350 -0.000 0.000 0.279 250 T C 0.188 174.988 174.700 0.166 0.000 0.991 250 T CA 0.240 62.453 62.100 0.188 0.000 0.979 250 T CB 1.305 70.363 68.868 0.318 0.000 0.943 250 T HN 1.092 nan 8.240 nan 0.000 0.444 251 T N 0.352 114.996 114.554 0.151 0.000 2.896 251 T HA 0.821 5.171 4.350 -0.000 0.000 0.297 251 T C -0.940 173.869 174.700 0.182 0.000 1.108 251 T CA -1.024 61.140 62.100 0.107 0.000 1.004 251 T CB 1.357 70.227 68.868 0.003 0.000 1.159 251 T HN 0.508 nan 8.240 nan 0.000 0.499 252 F N -0.902 119.041 119.950 -0.012 0.000 2.593 252 F HA 0.892 5.419 4.527 -0.000 0.000 0.320 252 F C -0.517 175.237 175.800 -0.076 0.000 1.060 252 F CA -0.898 57.094 58.000 -0.013 0.000 0.940 252 F CB 1.898 40.889 39.000 -0.015 0.000 1.268 252 F HN 0.740 nan 8.300 nan 0.000 0.475 253 T N 1.631 116.225 114.554 0.066 0.000 2.900 253 T HA 0.710 5.060 4.350 -0.000 0.000 0.295 253 T C -1.619 173.100 174.700 0.031 0.000 1.044 253 T CA -0.505 61.549 62.100 -0.076 0.000 0.995 253 T CB 1.779 70.622 68.868 -0.042 0.000 1.072 253 T HN 0.634 nan 8.240 nan 0.000 0.473 254 V N 5.597 125.491 119.914 -0.034 0.000 2.680 254 V HA 0.443 4.563 4.120 -0.000 0.000 0.309 254 V C -1.527 174.568 176.094 0.001 0.000 1.052 254 V CA -1.837 60.474 62.300 0.018 0.000 0.908 254 V CB 2.016 33.868 31.823 0.050 0.000 1.001 254 V HN 0.738 nan 8.190 nan 0.000 0.431 255 P HA -0.083 nan 4.420 nan 0.000 0.234 255 P C 0.847 178.144 177.300 -0.004 0.000 1.162 255 P CA 1.062 64.160 63.100 -0.004 0.000 0.759 255 P CB 0.243 31.939 31.700 -0.008 0.000 0.813 256 T N -2.101 112.456 114.554 0.005 0.000 3.044 256 T HA 0.040 4.390 4.350 -0.000 0.000 0.237 256 T C 0.714 175.412 174.700 -0.002 0.000 1.001 256 T CA 0.309 62.412 62.100 0.005 0.000 1.160 256 T CB -0.223 68.659 68.868 0.022 0.000 0.889 256 T HN 0.064 nan 8.240 nan 0.000 0.442 257 D N 1.418 121.815 120.400 -0.005 0.000 2.316 257 D HA 0.453 5.093 4.640 -0.000 0.000 0.245 257 D C 0.710 176.984 176.300 -0.043 0.000 1.171 257 D CA -0.166 53.820 54.000 -0.023 0.000 0.856 257 D CB 1.636 42.417 40.800 -0.032 0.000 1.090 257 D HN 0.221 nan 8.370 nan 0.000 0.476 258 A N 4.159 126.958 122.820 -0.036 0.000 2.172 258 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 258 A C 0.672 178.225 177.584 -0.052 0.000 1.154 258 A CA 0.561 52.576 52.037 -0.037 0.000 0.701 258 A CB -0.129 18.855 19.000 -0.027 0.000 0.789 258 A HN 0.516 nan 8.150 nan 0.000 0.465 259 N N 0.589 119.248 118.700 -0.067 0.000 2.492 259 N HA 0.255 4.995 4.740 -0.000 0.000 0.289 259 N C -0.630 174.796 175.510 -0.141 0.000 1.133 259 N CA -0.597 52.403 53.050 -0.084 0.000 0.961 259 N CB 0.459 38.903 38.487 -0.071 0.000 1.186 259 N HN 0.163 nan 8.380 nan 0.000 0.493 260 N N 0.736 119.352 118.700 -0.139 0.000 2.518 260 N HA 0.163 4.903 4.740 -0.000 0.000 0.266 260 N C -0.955 174.380 175.510 -0.292 0.000 1.196 260 N CA 0.033 52.963 53.050 -0.199 0.000 0.947 260 N CB 0.649 39.064 38.487 -0.120 0.000 1.098 260 N HN 0.313 nan 8.380 nan 0.000 0.450 261 L N 4.478 125.373 121.223 -0.546 0.000 2.280 261 L HA 0.375 4.715 4.340 -0.000 0.000 0.287 261 L C -1.895 174.710 176.870 -0.441 0.000 1.023 261 L CA -1.634 52.803 54.840 -0.672 0.000 0.819 261 L CB 1.599 42.792 42.059 -1.443 0.000 1.212 261 L HN 0.318 nan 8.230 nan 0.000 0.420 262 P HA 0.116 nan 4.420 nan 0.000 0.269 262 P C -0.900 176.458 177.300 0.096 0.000 1.215 262 P CA -0.146 62.951 63.100 -0.005 0.000 0.780 262 P CB 1.521 33.233 31.700 0.019 0.000 0.898 263 V N 2.443 122.433 119.914 0.127 0.000 2.735 263 V HA 0.256 4.376 4.120 -0.000 0.000 0.310 263 V C 0.542 176.722 176.094 0.143 0.000 1.061 263 V CA -0.474 61.901 62.300 0.125 0.000 0.913 263 V CB 1.137 32.987 31.823 0.045 0.000 1.005 263 V HN 0.628 nan 8.190 nan 0.000 0.428 264 Q N 1.012 120.902 119.800 0.151 0.000 2.503 264 Q HA -0.165 4.175 4.340 -0.000 0.000 0.267 264 Q C 0.197 176.267 176.000 0.116 0.000 1.030 264 Q CA 1.163 57.073 55.803 0.178 0.000 1.041 264 Q CB -1.341 27.550 28.738 0.255 0.000 1.406 264 Q HN 1.189 nan 8.270 nan 0.000 0.524 265 T N -4.168 110.452 114.554 0.110 0.000 2.940 265 T HA 0.545 4.895 4.350 -0.000 0.000 0.288 265 T C 0.351 175.089 174.700 0.065 0.000 1.033 265 T CA -0.584 61.565 62.100 0.082 0.000 1.033 265 T CB 1.437 70.361 68.868 0.094 0.000 1.079 265 T HN -0.043 nan 8.240 nan 0.000 0.496 266 D N 0.879 121.303 120.400 0.040 0.000 2.319 266 D HA 0.165 4.805 4.640 -0.000 0.000 0.230 266 D C 0.070 176.485 176.300 0.191 0.000 1.094 266 D CA 0.133 54.145 54.000 0.020 0.000 0.856 266 D CB 0.019 40.815 40.800 -0.008 0.000 0.915 266 D HN 0.449 nan 8.370 nan 0.000 0.517 267 S N 0.494 116.311 115.700 0.194 0.000 2.523 267 S HA 0.269 4.739 4.470 -0.000 0.000 0.275 267 S C 0.561 175.315 174.600 0.257 0.000 1.281 267 S CA -0.575 57.742 58.200 0.194 0.000 1.050 267 S CB 1.509 64.781 63.200 0.119 0.000 0.937 267 S HN 0.066 nan 8.310 nan 0.000 0.492 268 R N 2.654 123.260 120.500 0.176 0.000 2.296 268 R HA 0.275 4.615 4.340 -0.000 0.000 0.323 268 R C -0.431 175.904 176.300 0.058 0.000 1.067 268 R CA -0.040 56.086 56.100 0.043 0.000 0.946 268 R CB 0.054 30.314 30.300 -0.067 0.000 0.991 268 R HN 0.534 nan 8.270 nan 0.000 0.448 269 L N 1.363 122.646 121.223 0.100 0.000 2.387 269 L HA 0.447 4.787 4.340 -0.000 0.000 0.266 269 L C 0.115 177.040 176.870 0.092 0.000 1.059 269 L CA -0.601 54.334 54.840 0.158 0.000 0.801 269 L CB 1.772 44.033 42.059 0.337 0.000 1.223 269 L HN 0.512 nan 8.230 nan 0.000 0.456 270 S N 1.593 117.377 115.700 0.139 0.000 2.779 270 S HA 0.724 5.194 4.470 -0.000 0.000 0.293 270 S C -0.922 173.771 174.600 0.154 0.000 1.150 270 S CA -0.601 57.606 58.200 0.011 0.000 1.057 270 S CB 1.064 64.256 63.200 -0.013 0.000 1.021 270 S HN 0.496 nan 8.310 nan 0.000 0.485 271 F N -0.504 119.416 119.950 -0.049 0.000 2.789 271 F HA 0.886 5.413 4.527 -0.000 0.000 0.319 271 F C -0.612 175.159 175.800 -0.047 0.000 1.168 271 F CA -1.079 56.904 58.000 -0.029 0.000 0.934 271 F CB 1.091 40.107 39.000 0.027 0.000 1.375 271 F HN 0.378 nan 8.300 nan 0.000 0.480 272 S N 0.380 116.213 115.700 0.222 0.000 2.538 272 S HA 0.560 5.030 4.470 -0.000 0.000 0.288 272 S C -0.330 174.360 174.600 0.149 0.000 1.108 272 S CA -0.787 57.454 58.200 0.067 0.000 0.971 272 S CB 1.358 64.564 63.200 0.010 0.000 1.041 272 S HN 0.817 nan 8.310 nan 0.000 0.483 273 L N 3.667 124.933 121.223 0.071 0.000 2.612 273 L HA 0.306 4.646 4.340 -0.000 0.000 0.230 273 L C 1.477 178.328 176.870 -0.032 0.000 1.140 273 L CA -0.085 54.783 54.840 0.047 0.000 0.896 273 L CB -0.701 41.370 42.059 0.020 0.000 1.065 273 L HN 0.748 nan 8.230 nan 0.000 0.447 274 G N -1.114 107.671 108.800 -0.025 0.000 2.507 274 G HA2 0.439 4.399 3.960 -0.000 0.000 0.271 274 G HA3 0.439 4.399 3.960 -0.000 0.000 0.271 274 G C 0.872 175.751 174.900 -0.035 0.000 1.189 274 G CA 0.481 45.554 45.100 -0.046 0.000 0.859 274 G HN 0.256 nan 8.290 nan 0.000 0.542 275 G N -1.056 107.717 108.800 -0.045 0.000 2.253 275 G HA2 0.286 4.246 3.960 -0.000 0.000 0.209 275 G HA3 0.286 4.246 3.960 -0.000 0.000 0.209 275 G C 1.009 175.883 174.900 -0.043 0.000 0.997 275 G CA 0.912 45.991 45.100 -0.036 0.000 0.640 275 G HN 2.467 nan 8.290 nan 0.000 0.496 276 G N 0.086 108.848 108.800 -0.062 0.000 1.701 276 G HA2 0.159 4.119 3.960 -0.000 0.000 0.057 276 G HA3 0.159 4.119 3.960 -0.000 0.000 0.057 276 G C -0.665 174.184 174.900 -0.085 0.000 1.314 276 G CA 0.378 45.436 45.100 -0.069 0.000 1.162 276 G HN 1.056 nan 8.290 nan 0.000 0.358 277 N N 0.275 118.942 118.700 -0.053 0.000 2.265 277 N HA 0.624 5.364 4.740 -0.000 0.000 0.300 277 N C -1.025 174.480 175.510 -0.008 0.000 1.148 277 N CA -0.495 52.529 53.050 -0.044 0.000 0.772 277 N CB 2.428 40.901 38.487 -0.022 0.000 1.434 277 N HN 0.406 nan 8.380 nan 0.000 0.481 278 I N 1.117 121.688 120.570 0.001 0.000 2.315 278 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 278 I C 0.173 176.393 176.117 0.172 0.000 1.006 278 I CA -0.349 60.974 61.300 0.039 0.000 1.265 278 I CB 0.569 38.467 38.000 -0.170 0.000 1.387 278 I HN 0.226 nan 8.210 nan 0.000 0.475 279 N N 6.393 125.204 118.700 0.185 0.000 2.462 279 N HA 0.301 5.041 4.740 -0.000 0.000 0.242 279 N C -1.083 174.604 175.510 0.296 0.000 1.010 279 N CA -0.659 52.514 53.050 0.206 0.000 0.939 279 N CB 1.214 39.769 38.487 0.114 0.000 1.127 279 N HN 0.302 nan 8.380 nan 0.000 0.509 280 L N 3.006 124.477 121.223 0.413 0.000 2.272 280 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 280 L C -0.419 176.674 176.870 0.372 0.000 1.032 280 L CA -0.311 54.807 54.840 0.463 0.000 0.810 280 L CB 0.946 43.407 42.059 0.669 0.000 1.205 280 L HN 0.415 nan 8.230 nan 0.000 0.422 281 E N 5.294 125.657 120.200 0.271 0.000 2.063 281 E HA 0.211 4.561 4.350 -0.000 0.000 0.265 281 E C -1.045 175.675 176.600 0.200 0.000 0.919 281 E CA -0.820 55.694 56.400 0.191 0.000 0.756 281 E CB 1.310 31.076 29.700 0.111 0.000 1.120 281 E HN 0.434 nan 8.360 nan 0.000 0.414 282 L N 2.833 124.187 121.223 0.218 0.000 2.456 282 L HA 0.148 4.488 4.340 -0.000 0.000 0.277 282 L C 1.346 178.274 176.870 0.096 0.000 1.124 282 L CA 0.688 55.616 54.840 0.146 0.000 0.880 282 L CB 0.797 42.878 42.059 0.038 0.000 1.192 282 L HN 0.666 nan 8.230 nan 0.000 0.463 283 G N 4.032 112.887 108.800 0.091 0.000 2.448 283 G HA2 0.069 4.029 3.960 -0.000 0.000 0.218 283 G HA3 0.069 4.029 3.960 -0.000 0.000 0.218 283 G C 0.258 175.171 174.900 0.022 0.000 1.135 283 G CA 0.310 45.444 45.100 0.056 0.000 0.784 283 G HN 0.398 nan 8.290 nan 0.000 0.543 284 V N 0.133 120.044 119.914 -0.004 0.000 2.789 284 V HA 0.693 4.813 4.120 -0.000 0.000 0.311 284 V C 0.154 176.206 176.094 -0.070 0.000 1.073 284 V CA -1.191 61.089 62.300 -0.035 0.000 0.921 284 V CB 1.674 33.467 31.823 -0.050 0.000 1.009 284 V HN 0.374 nan 8.190 nan 0.000 0.426 285 A N 4.475 127.261 122.820 -0.057 0.000 2.498 285 A HA 0.572 4.892 4.320 -0.000 0.000 0.239 285 A C -0.014 177.504 177.584 -0.110 0.000 1.068 285 A CA 0.235 52.228 52.037 -0.074 0.000 0.766 285 A CB 0.140 19.118 19.000 -0.037 0.000 1.003 285 A HN 0.801 nan 8.150 nan 0.000 0.497 286 K N 0.782 121.096 120.400 -0.144 0.000 2.498 286 K HA 0.382 4.702 4.320 -0.000 0.000 0.254 286 K C -0.973 175.589 176.600 -0.064 0.000 0.933 286 K CA -0.529 55.681 56.287 -0.129 0.000 0.806 286 K CB 2.171 34.551 32.500 -0.199 0.000 1.301 286 K HN 0.576 nan 8.250 nan 0.000 0.432 287 T N 1.728 116.268 114.554 -0.024 0.000 4.104 287 T HA 0.326 4.676 4.350 -0.000 0.000 0.285 287 T C 0.257 174.994 174.700 0.062 0.000 1.346 287 T CA -0.189 61.919 62.100 0.013 0.000 1.158 287 T CB -0.337 68.535 68.868 0.007 0.000 1.290 287 T HN 0.879 nan 8.240 nan 0.000 0.975 288 G N 2.567 111.444 108.800 0.128 0.000 3.019 288 G HA2 0.050 4.010 3.960 -0.000 0.000 0.686 288 G HA3 0.050 4.010 3.960 -0.000 0.000 0.686 288 G C -0.672 174.432 174.900 0.340 0.000 1.056 288 G CA -0.852 44.387 45.100 0.233 0.000 0.774 288 G HN 0.786 nan 8.290 nan 0.000 0.583 289 F N -0.660 119.337 119.950 0.078 0.000 2.626 289 F HA 0.817 5.344 4.527 -0.000 0.000 0.311 289 F C -0.207 175.687 175.800 0.157 0.000 1.088 289 F CA -1.357 56.719 58.000 0.127 0.000 0.949 289 F CB 1.749 40.854 39.000 0.174 0.000 1.322 289 F HN 0.867 nan 8.300 nan 0.000 0.461 290 C N 3.694 123.046 119.300 0.085 0.000 2.522 290 C HA 0.734 5.194 4.460 -0.000 0.000 0.344 290 C C -0.727 174.055 174.990 -0.347 0.000 1.104 290 C CA -0.396 58.502 59.018 -0.201 0.000 1.317 290 C CB 0.347 28.113 27.740 0.043 0.000 1.896 290 C HN 0.790 nan 8.230 nan 0.000 0.443 291 V N 5.271 124.640 119.914 -0.908 0.000 2.546 291 V HA 0.755 4.875 4.120 -0.000 0.000 0.284 291 V C 0.696 176.235 176.094 -0.925 0.000 1.050 291 V CA -0.039 61.608 62.300 -1.088 0.000 0.981 291 V CB 1.282 32.136 31.823 -1.615 0.000 0.990 291 V HN 1.075 nan 8.190 nan 0.000 0.474 292 A N 5.545 127.930 122.820 -0.724 0.000 2.371 292 A HA 0.871 5.191 4.320 -0.000 0.000 0.311 292 A C -0.830 176.457 177.584 -0.494 0.000 1.068 292 A CA -0.586 51.082 52.037 -0.616 0.000 0.744 292 A CB 1.031 19.567 19.000 -0.773 0.000 1.239 292 A HN 0.763 nan 8.150 nan 0.000 0.435 293 I N 1.897 122.344 120.570 -0.206 0.000 2.382 293 I HA 0.349 4.519 4.170 -0.000 0.000 0.285 293 I C -0.102 176.090 176.117 0.124 0.000 1.007 293 I CA -0.058 61.255 61.300 0.021 0.000 1.142 293 I CB 1.529 39.642 38.000 0.188 0.000 1.289 293 I HN 0.769 nan 8.210 nan 0.000 0.453 294 E N 5.572 125.854 120.200 0.135 0.000 2.185 294 E HA 0.696 5.046 4.350 -0.000 0.000 0.261 294 E C -0.528 176.190 176.600 0.198 0.000 0.879 294 E CA -0.375 56.167 56.400 0.236 0.000 0.756 294 E CB 1.846 31.733 29.700 0.311 0.000 1.152 294 E HN 0.845 nan 8.360 nan 0.000 0.416 295 G N 3.349 112.287 108.800 0.229 0.000 2.529 295 G HA2 0.113 4.073 3.960 -0.000 0.000 0.238 295 G HA3 0.113 4.073 3.960 -0.000 0.000 0.238 295 G C -1.343 173.640 174.900 0.138 0.000 1.207 295 G CA -0.674 44.456 45.100 0.050 0.000 0.928 295 G HN 0.417 nan 8.290 nan 0.000 0.495 296 E N -0.274 119.917 120.200 -0.014 0.000 2.134 296 E HA 0.651 5.001 4.350 -0.000 0.000 0.278 296 E C -1.384 175.211 176.600 -0.009 0.000 0.959 296 E CA -0.404 56.038 56.400 0.069 0.000 0.783 296 E CB 0.820 30.521 29.700 0.001 0.000 1.095 296 E HN 0.180 nan 8.360 nan 0.000 0.399 297 F N 1.984 121.909 119.950 -0.042 0.000 2.450 297 F HA 0.511 5.038 4.527 -0.000 0.000 0.332 297 F C 0.672 176.462 175.800 -0.017 0.000 1.093 297 F CA -0.547 57.427 58.000 -0.043 0.000 1.003 297 F CB 1.934 40.920 39.000 -0.024 0.000 1.151 297 F HN 0.327 nan 8.300 nan 0.000 0.474 298 T N 1.136 115.761 114.554 0.118 0.000 2.896 298 T HA 0.709 5.059 4.350 -0.000 0.000 0.297 298 T C -0.667 174.082 174.700 0.082 0.000 1.108 298 T CA -0.811 61.346 62.100 0.095 0.000 1.004 298 T CB 1.185 70.087 68.868 0.057 0.000 1.159 298 T HN 0.402 nan 8.240 nan 0.000 0.499 299 I N 2.320 122.946 120.570 0.093 0.000 2.472 299 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 299 I C 0.696 176.845 176.117 0.054 0.000 1.016 299 I CA -1.029 60.316 61.300 0.075 0.000 1.348 299 I CB 1.084 39.143 38.000 0.099 0.000 1.417 299 I HN 0.555 nan 8.210 nan 0.000 0.521 300 L N 4.284 125.514 121.223 0.012 0.000 2.479 300 L HA 0.132 4.472 4.340 -0.000 0.000 0.270 300 L C 0.811 177.641 176.870 -0.068 0.000 1.236 300 L CA -0.252 54.561 54.840 -0.046 0.000 0.823 300 L CB 0.468 42.495 42.059 -0.053 0.000 1.098 300 L HN 0.695 nan 8.230 nan 0.000 0.500 301 A N 2.218 124.897 122.820 -0.235 0.000 2.511 301 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 301 A C 0.803 178.319 177.584 -0.114 0.000 1.069 301 A CA -0.063 51.736 52.037 -0.395 0.000 0.763 301 A CB -0.174 18.324 19.000 -0.836 0.000 1.001 301 A HN 0.962 nan 8.150 nan 0.000 0.498 302 N N 0.320 119.045 118.700 0.042 0.000 2.708 302 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 302 N C 0.313 175.858 175.510 0.059 0.000 1.123 302 N CA 1.361 54.453 53.050 0.070 0.000 0.739 302 N CB -0.496 38.012 38.487 0.035 0.000 1.113 302 N HN 0.730 nan 8.380 nan 0.000 0.561 303 R N -0.512 120.028 120.500 0.067 0.000 2.476 303 R HA 0.222 4.562 4.340 -0.000 0.000 0.276 303 R C 1.757 178.128 176.300 0.118 0.000 0.941 303 R CA 0.694 56.836 56.100 0.070 0.000 1.088 303 R CB -0.425 29.897 30.300 0.037 0.000 1.216 303 R HN 0.394 nan 8.270 nan 0.000 0.533 304 S N 0.917 116.717 115.700 0.167 0.000 2.419 304 S HA -0.206 4.264 4.470 -0.000 0.000 0.235 304 S C 1.670 176.433 174.600 0.272 0.000 1.019 304 S CA 0.924 59.282 58.200 0.264 0.000 0.982 304 S CB -0.111 63.301 63.200 0.354 0.000 0.789 304 S HN 0.169 nan 8.310 nan 0.000 0.490 305 Q N 1.639 121.547 119.800 0.181 0.000 2.248 305 Q HA 0.043 4.383 4.340 -0.000 0.000 0.208 305 Q C 2.355 178.433 176.000 0.130 0.000 0.984 305 Q CA 1.534 57.418 55.803 0.135 0.000 0.875 305 Q CB -0.773 28.014 28.738 0.082 0.000 0.910 305 Q HN 0.773 nan 8.270 nan 0.000 0.433 306 A N -0.478 122.423 122.820 0.136 0.000 1.873 306 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 306 A C 1.877 179.569 177.584 0.179 0.000 1.186 306 A CA 1.340 53.455 52.037 0.130 0.000 0.616 306 A CB -0.846 18.220 19.000 0.111 0.000 0.823 306 A HN 0.486 nan 8.150 nan 0.000 0.442 307 Y N -0.466 119.850 120.300 0.027 0.000 2.070 307 Y HA -0.232 4.318 4.550 -0.000 0.000 0.279 307 Y C 2.116 178.039 175.900 0.039 0.000 1.134 307 Y CA 1.627 59.713 58.100 -0.024 0.000 1.113 307 Y CB -1.029 37.308 38.460 -0.205 0.000 0.981 307 Y HN 0.383 nan 8.280 nan 0.000 0.487 308 Y N -0.443 119.795 120.300 -0.103 0.000 2.574 308 Y HA -0.101 4.449 4.550 -0.000 0.000 0.294 308 Y C 1.984 177.702 175.900 -0.303 0.000 1.142 308 Y CA 1.272 59.081 58.100 -0.486 0.000 1.314 308 Y CB -0.164 37.995 38.460 -0.501 0.000 0.991 308 Y HN 0.103 nan 8.280 nan 0.000 0.555 309 T N -0.347 114.231 114.554 0.040 0.000 3.054 309 T HA 0.193 4.543 4.350 -0.000 0.000 0.255 309 T C 0.489 175.233 174.700 0.074 0.000 1.035 309 T CA -0.093 62.036 62.100 0.047 0.000 0.941 309 T CB 0.006 68.910 68.868 0.060 0.000 1.026 309 T HN 0.230 nan 8.240 nan 0.000 0.533 310 L N 1.093 122.374 121.223 0.097 0.000 3.600 310 L HA -0.191 4.149 4.340 -0.000 0.000 0.424 310 L C 0.545 177.463 176.870 0.080 0.000 1.260 310 L CA -0.222 54.681 54.840 0.104 0.000 0.883 310 L CB -1.970 40.150 42.059 0.101 0.000 1.895 310 L HN 0.188 nan 8.230 nan 0.000 0.827 311 N N -1.198 117.553 118.700 0.084 0.000 2.325 311 N HA 0.068 4.808 4.740 -0.000 0.000 0.182 311 N C 1.515 177.064 175.510 0.066 0.000 1.088 311 N CA 0.825 53.915 53.050 0.067 0.000 0.879 311 N CB 0.395 38.921 38.487 0.064 0.000 0.983 311 N HN 0.286 nan 8.380 nan 0.000 0.471 312 S N 0.175 115.928 115.700 0.089 0.000 2.428 312 S HA 0.139 4.609 4.470 -0.000 0.000 0.230 312 S C 0.678 175.309 174.600 0.052 0.000 1.014 312 S CA 0.264 58.518 58.200 0.090 0.000 0.957 312 S CB 0.021 63.307 63.200 0.143 0.000 0.784 312 S HN 0.264 nan 8.310 nan 0.000 0.499 313 I N 2.774 123.370 120.570 0.043 0.000 2.494 313 I HA 0.015 4.185 4.170 -0.000 0.000 0.289 313 I C 1.063 177.189 176.117 0.015 0.000 1.106 313 I CA 0.068 61.379 61.300 0.018 0.000 1.369 313 I CB 0.943 38.957 38.000 0.023 0.000 1.410 313 I HN 0.183 nan 8.210 nan 0.000 0.523 314 T N 4.026 118.583 114.554 0.005 0.000 3.046 314 T HA 0.057 4.407 4.350 -0.000 0.000 0.242 314 T C 0.479 175.182 174.700 0.005 0.000 1.018 314 T CA 0.095 62.200 62.100 0.007 0.000 1.131 314 T CB 0.128 68.999 68.868 0.006 0.000 0.904 314 T HN 0.690 nan 8.240 nan 0.000 0.459 315 Q N 0.589 120.390 119.800 0.002 0.000 2.528 315 Q HA 0.697 5.037 4.340 -0.000 0.000 0.289 315 Q C -1.657 174.344 176.000 0.001 0.000 1.091 315 Q CA -0.996 54.810 55.803 0.004 0.000 0.797 315 Q CB 1.670 30.413 28.738 0.008 0.000 1.466 315 Q HN -0.083 nan 8.270 nan 0.000 0.436 316 T N 1.841 116.396 114.554 0.001 0.000 2.841 316 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 316 T C -2.257 172.443 174.700 -0.000 0.000 1.000 316 T CA -1.003 61.095 62.100 -0.002 0.000 0.977 316 T CB 1.288 70.152 68.868 -0.007 0.000 0.979 316 T HN 0.506 nan 8.240 nan 0.000 0.446 317 P HA 0.586 nan 4.420 nan 0.000 0.275 317 P C -0.607 176.696 177.300 0.004 0.000 1.266 317 P CA -0.495 62.603 63.100 -0.004 0.000 0.793 317 P CB 0.555 32.252 31.700 -0.005 0.000 1.074 318 T N -1.451 113.104 114.554 0.002 0.000 2.889 318 T HA 0.532 4.882 4.350 -0.000 0.000 0.315 318 T C -1.195 173.514 174.700 0.015 0.000 1.291 318 T CA -0.696 61.408 62.100 0.007 0.000 1.028 318 T CB 0.494 69.355 68.868 -0.011 0.000 1.235 318 T HN 0.378 nan 8.240 nan 0.000 0.491 319 S N 3.816 119.543 115.700 0.045 0.000 2.508 319 S HA 0.817 5.287 4.470 -0.000 0.000 0.284 319 S C -0.067 174.557 174.600 0.041 0.000 1.192 319 S CA -0.782 57.451 58.200 0.054 0.000 1.070 319 S CB 0.518 63.780 63.200 0.104 0.000 1.004 319 S HN 0.985 nan 8.310 nan 0.000 0.493 320 I N -0.935 119.641 120.570 0.010 0.000 2.894 320 I HA 0.576 4.746 4.170 -0.000 0.000 0.302 320 I C -0.706 175.389 176.117 -0.036 0.000 1.188 320 I CA -1.059 60.230 61.300 -0.018 0.000 1.014 320 I CB 2.132 40.108 38.000 -0.041 0.000 1.242 320 I HN 0.668 nan 8.210 nan 0.000 0.430 321 D N 3.484 123.837 120.400 -0.079 0.000 2.425 321 D HA 0.063 4.703 4.640 -0.000 0.000 0.274 321 D C -0.277 175.949 176.300 -0.122 0.000 1.242 321 D CA -0.016 53.939 54.000 -0.076 0.000 1.060 321 D CB 0.769 41.535 40.800 -0.056 0.000 1.112 321 D HN 0.788 nan 8.370 nan 0.000 0.561 322 D N -2.189 118.200 120.400 -0.019 0.000 2.513 322 D HA 0.037 4.677 4.640 -0.000 0.000 0.222 322 D C 0.223 176.726 176.300 0.339 0.000 1.210 322 D CA -0.682 53.451 54.000 0.222 0.000 0.825 322 D CB -0.835 40.199 40.800 0.390 0.000 1.037 322 D HN 0.493 nan 8.370 nan 0.000 0.506 323 F N 1.381 121.526 119.950 0.325 0.000 3.034 323 F HA -0.293 4.234 4.527 -0.000 0.000 0.286 323 F C 0.018 176.085 175.800 0.446 0.000 0.804 323 F CA 0.759 58.963 58.000 0.341 0.000 1.161 323 F CB -1.952 37.138 39.000 0.151 0.000 1.317 323 F HN 0.002 nan 8.300 nan 0.000 0.453 324 D N -2.557 118.089 120.400 0.410 0.000 3.028 324 D HA -0.206 4.434 4.640 -0.000 0.000 0.207 324 D C 1.265 177.684 176.300 0.198 0.000 1.100 324 D CA 1.018 55.159 54.000 0.236 0.000 0.995 324 D CB -1.654 39.251 40.800 0.176 0.000 1.108 324 D HN 0.407 nan 8.370 nan 0.000 0.421 325 V N 0.059 120.173 119.914 0.333 0.000 2.282 325 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 325 V C 2.703 178.861 176.094 0.107 0.000 1.057 325 V CA 2.688 65.105 62.300 0.195 0.000 1.032 325 V CB -1.401 30.319 31.823 -0.171 0.000 0.645 325 V HN 0.420 nan 8.190 nan 0.000 0.447 326 S N 1.130 116.873 115.700 0.072 0.000 2.413 326 S HA -0.334 4.136 4.470 -0.000 0.000 0.237 326 S C 1.422 176.006 174.600 -0.027 0.000 1.044 326 S CA 2.067 60.292 58.200 0.042 0.000 1.024 326 S CB -0.954 62.283 63.200 0.062 0.000 0.829 326 S HN 0.654 nan 8.310 nan 0.000 0.475 327 D N 0.356 120.673 120.400 -0.138 0.000 2.348 327 D HA 0.162 4.802 4.640 -0.000 0.000 0.216 327 D C 1.120 177.249 176.300 -0.286 0.000 0.970 327 D CA 0.656 54.494 54.000 -0.269 0.000 0.889 327 D CB -0.294 40.244 40.800 -0.435 0.000 0.912 327 D HN 0.608 nan 8.370 nan 0.000 0.524 328 F N -0.417 119.555 119.950 0.037 0.000 2.559 328 F HA 0.064 4.591 4.527 -0.000 0.000 0.286 328 F C 1.999 177.811 175.800 0.021 0.000 1.108 328 F CA -0.350 57.666 58.000 0.027 0.000 1.436 328 F CB 0.198 39.214 39.000 0.026 0.000 1.130 328 F HN -0.138 nan 8.300 nan 0.000 0.584 329 L N 0.436 121.772 121.223 0.188 0.000 2.043 329 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 329 L C 2.275 179.190 176.870 0.075 0.000 1.075 329 L CA 1.915 56.839 54.840 0.140 0.000 0.752 329 L CB -1.974 40.108 42.059 0.040 0.000 0.891 329 L HN 0.204 nan 8.230 nan 0.000 0.432 330 T N -0.162 114.392 114.554 -0.000 0.000 2.582 330 T HA -0.364 3.986 4.350 -0.000 0.000 0.246 330 T C 1.795 176.468 174.700 -0.045 0.000 1.236 330 T CA 2.822 64.891 62.100 -0.053 0.000 1.125 330 T CB -0.708 68.141 68.868 -0.032 0.000 0.837 330 T HN 0.426 nan 8.240 nan 0.000 0.458 331 T N 1.582 116.146 114.554 0.018 0.000 2.595 331 T HA -0.098 4.252 4.350 -0.000 0.000 0.264 331 T C 1.527 176.238 174.700 0.018 0.000 1.058 331 T CA 1.611 63.717 62.100 0.011 0.000 1.166 331 T CB -0.743 68.141 68.868 0.026 0.000 0.863 331 T HN 0.391 nan 8.240 nan 0.000 0.415 332 F N 1.706 121.617 119.950 -0.064 0.000 2.192 332 F HA -0.080 4.447 4.527 -0.000 0.000 0.301 332 F C 1.889 177.628 175.800 -0.102 0.000 1.079 332 F CA 0.946 58.906 58.000 -0.067 0.000 1.303 332 F CB -0.572 38.414 39.000 -0.024 0.000 1.024 332 F HN 0.073 nan 8.300 nan 0.000 0.494 333 L N -0.969 120.117 121.223 -0.228 0.000 2.005 333 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 333 L C 2.614 179.223 176.870 -0.435 0.000 1.072 333 L CA 1.529 56.099 54.840 -0.449 0.000 0.744 333 L CB -1.061 40.708 42.059 -0.483 0.000 0.895 333 L HN -0.035 nan 8.230 nan 0.000 0.433 334 S N -0.876 114.651 115.700 -0.287 0.000 2.440 334 S HA -0.192 4.278 4.470 -0.000 0.000 0.238 334 S C 1.927 176.413 174.600 -0.191 0.000 1.010 334 S CA 1.041 59.110 58.200 -0.218 0.000 0.972 334 S CB -0.123 62.995 63.200 -0.136 0.000 0.774 334 S HN 0.377 nan 8.310 nan 0.000 0.501 335 Q N 0.209 119.883 119.800 -0.211 0.000 2.269 335 Q HA 0.195 4.535 4.340 -0.000 0.000 0.201 335 Q C 2.099 177.991 176.000 -0.181 0.000 0.946 335 Q CA 0.466 56.181 55.803 -0.147 0.000 0.877 335 Q CB -0.196 28.506 28.738 -0.060 0.000 0.963 335 Q HN 0.504 nan 8.270 nan 0.000 0.472 336 L N 0.166 121.176 121.223 -0.355 0.000 2.072 336 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 336 L C 2.467 179.270 176.870 -0.113 0.000 1.079 336 L CA 0.890 55.569 54.840 -0.268 0.000 0.752 336 L CB -0.269 41.518 42.059 -0.454 0.000 0.906 336 L HN 0.117 nan 8.230 nan 0.000 0.436 337 R N 0.214 120.607 120.500 -0.178 0.000 2.092 337 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 337 R C 2.255 178.521 176.300 -0.057 0.000 1.119 337 R CA 1.286 57.328 56.100 -0.097 0.000 0.970 337 R CB -0.608 29.589 30.300 -0.171 0.000 0.864 337 R HN 0.305 nan 8.270 nan 0.000 0.440 338 A N 0.945 123.715 122.820 -0.082 0.000 2.131 338 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 338 A C 1.810 179.362 177.584 -0.053 0.000 1.158 338 A CA 1.508 53.508 52.037 -0.062 0.000 0.665 338 A CB -0.468 18.491 19.000 -0.068 0.000 0.795 338 A HN 0.625 nan 8.150 nan 0.000 0.460 339 C N -3.883 115.387 119.300 -0.050 0.000 3.144 339 C HA 0.603 5.063 4.460 -0.000 0.000 0.253 339 C C 1.139 176.130 174.990 0.002 0.000 2.010 339 C CA -0.641 58.349 59.018 -0.047 0.000 1.698 339 C CB -1.019 26.650 27.740 -0.118 0.000 3.346 339 C HN 1.577 nan 8.230 nan 0.000 0.449 340 G N 1.923 110.741 108.800 0.030 0.000 2.306 340 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.274 340 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.274 340 G C 0.357 175.316 174.900 0.099 0.000 0.890 340 G CA 1.318 46.461 45.100 0.072 0.000 1.298 340 G HN 0.757 nan 8.290 nan 0.000 0.445 341 Q N -0.765 119.121 119.800 0.144 0.000 2.157 341 Q HA 0.191 4.531 4.340 -0.000 0.000 0.235 341 Q C 1.691 177.838 176.000 0.245 0.000 0.803 341 Q CA 0.072 55.988 55.803 0.188 0.000 0.967 341 Q CB -0.097 28.801 28.738 0.266 0.000 1.150 341 Q HN 0.620 nan 8.270 nan 0.000 0.482 342 Y N 1.292 121.633 120.300 0.068 0.000 2.298 342 Y HA -0.231 4.319 4.550 -0.000 0.000 0.287 342 Y C 1.076 177.085 175.900 0.181 0.000 1.164 342 Y CA 2.050 60.211 58.100 0.101 0.000 1.229 342 Y CB 0.224 38.711 38.460 0.044 0.000 0.977 342 Y HN 0.111 nan 8.280 nan 0.000 0.538 343 E N 0.060 120.301 120.200 0.069 0.000 2.008 343 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 343 E C 2.101 178.713 176.600 0.020 0.000 0.986 343 E CA 1.672 58.043 56.400 -0.049 0.000 0.807 343 E CB -0.618 29.072 29.700 -0.016 0.000 0.766 343 E HN 0.416 nan 8.360 nan 0.000 0.450 344 I N 0.459 121.066 120.570 0.063 0.000 2.208 344 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 344 I C 2.124 178.260 176.117 0.032 0.000 1.097 344 I CA 1.048 62.373 61.300 0.040 0.000 1.363 344 I CB -0.546 37.489 38.000 0.059 0.000 1.051 344 I HN 0.044 nan 8.210 nan 0.000 0.413 345 F N 0.764 120.697 119.950 -0.028 0.000 2.126 345 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 345 F C 2.861 178.552 175.800 -0.182 0.000 1.096 345 F CA 1.910 59.849 58.000 -0.102 0.000 1.255 345 F CB -0.444 38.534 39.000 -0.037 0.000 0.997 345 F HN 0.059 nan 8.300 nan 0.000 0.479 346 S N -0.062 115.692 115.700 0.091 0.000 2.351 346 S HA -0.234 4.236 4.470 -0.000 0.000 0.220 346 S C 1.900 176.439 174.600 -0.102 0.000 1.035 346 S CA 1.839 60.077 58.200 0.064 0.000 1.031 346 S CB -0.654 62.662 63.200 0.193 0.000 0.928 346 S HN 0.441 nan 8.310 nan 0.000 0.433 347 D N 1.124 121.473 120.400 -0.086 0.000 2.228 347 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 347 D C 1.997 178.189 176.300 -0.181 0.000 0.988 347 D CA 1.246 55.184 54.000 -0.103 0.000 0.864 347 D CB -0.411 40.343 40.800 -0.075 0.000 0.928 347 D HN 0.517 nan 8.370 nan 0.000 0.469 348 A N 0.365 123.008 122.820 -0.295 0.000 1.898 348 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 348 A C 2.162 179.467 177.584 -0.464 0.000 1.183 348 A CA 0.764 52.563 52.037 -0.397 0.000 0.622 348 A CB -0.196 18.483 19.000 -0.535 0.000 0.824 348 A HN 0.042 nan 8.150 nan 0.000 0.444 349 M N 0.276 119.521 119.600 -0.592 0.000 2.117 349 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 349 M C 1.484 177.629 176.300 -0.259 0.000 1.065 349 M CA 1.396 56.396 55.300 -0.499 0.000 1.114 349 M CB -1.478 30.775 32.600 -0.578 0.000 1.361 349 M HN 0.351 nan 8.290 nan 0.000 0.408 350 D N 0.069 120.354 120.400 -0.191 0.000 2.106 350 D HA -0.226 4.414 4.640 -0.000 0.000 0.191 350 D C 1.991 178.230 176.300 -0.102 0.000 0.997 350 D CA 1.456 55.383 54.000 -0.121 0.000 0.834 350 D CB -0.319 40.439 40.800 -0.070 0.000 0.956 350 D HN 0.329 nan 8.370 nan 0.000 0.448 351 Q N 0.375 120.095 119.800 -0.134 0.000 2.096 351 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 351 Q C 2.242 178.160 176.000 -0.135 0.000 0.982 351 Q CA 0.856 56.587 55.803 -0.121 0.000 0.850 351 Q CB -0.411 28.239 28.738 -0.147 0.000 0.901 351 Q HN 0.362 nan 8.270 nan 0.000 0.422 352 L N -0.711 120.395 121.223 -0.194 0.000 1.961 352 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 352 L C 2.021 178.809 176.870 -0.136 0.000 1.072 352 L CA 1.995 56.714 54.840 -0.203 0.000 0.749 352 L CB -0.777 41.115 42.059 -0.278 0.000 0.889 352 L HN 0.281 nan 8.230 nan 0.000 0.432 353 T N 0.301 114.787 114.554 -0.114 0.000 2.620 353 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 353 T C 1.581 176.289 174.700 0.013 0.000 1.044 353 T CA 2.212 64.281 62.100 -0.051 0.000 1.161 353 T CB -0.522 68.293 68.868 -0.089 0.000 0.862 353 T HN 0.386 nan 8.240 nan 0.000 0.438 354 N N 0.425 119.146 118.700 0.034 0.000 2.043 354 N HA -0.067 4.673 4.740 -0.000 0.000 0.193 354 N C 2.128 177.640 175.510 0.004 0.000 1.037 354 N CA 1.379 54.460 53.050 0.051 0.000 0.851 354 N CB -0.626 37.886 38.487 0.042 0.000 1.027 354 N HN 0.187 nan 8.380 nan 0.000 0.422 355 S N -0.034 115.646 115.700 -0.034 0.000 2.387 355 S HA -0.068 4.402 4.470 -0.000 0.000 0.230 355 S C 1.684 176.262 174.600 -0.037 0.000 1.035 355 S CA 0.652 58.825 58.200 -0.046 0.000 1.014 355 S CB -0.340 62.811 63.200 -0.082 0.000 0.836 355 S HN 0.274 nan 8.310 nan 0.000 0.466 356 L N 1.368 122.559 121.223 -0.054 0.000 1.973 356 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 356 L C 2.127 179.021 176.870 0.041 0.000 1.073 356 L CA 1.894 56.700 54.840 -0.056 0.000 0.746 356 L CB -1.257 40.711 42.059 -0.152 0.000 0.891 356 L HN 0.381 nan 8.230 nan 0.000 0.433 357 I N 0.073 120.656 120.570 0.023 0.000 2.143 357 I HA -0.420 3.750 4.170 -0.000 0.000 0.245 357 I C 2.464 178.638 176.117 0.095 0.000 1.068 357 I CA 2.021 63.350 61.300 0.049 0.000 1.326 357 I CB -0.698 37.321 38.000 0.031 0.000 1.028 357 I HN 0.358 nan 8.210 nan 0.000 0.412 358 T N 0.813 115.400 114.554 0.054 0.000 2.597 358 T HA -0.250 4.099 4.350 -0.000 0.000 0.267 358 T C 1.495 176.230 174.700 0.058 0.000 1.053 358 T CA 2.245 64.370 62.100 0.042 0.000 1.165 358 T CB -0.545 68.332 68.868 0.014 0.000 0.863 358 T HN 0.350 nan 8.240 nan 0.000 0.427 359 N N -0.011 118.722 118.700 0.054 0.000 2.503 359 N HA -0.071 4.669 4.740 -0.000 0.000 0.189 359 N C 1.141 176.629 175.510 -0.036 0.000 1.048 359 N CA 0.798 53.854 53.050 0.009 0.000 0.905 359 N CB -0.280 38.200 38.487 -0.012 0.000 0.951 359 N HN 0.513 nan 8.380 nan 0.000 0.446 360 Y N -0.013 120.289 120.300 0.002 0.000 2.448 360 Y HA 0.216 4.766 4.550 -0.000 0.000 0.289 360 Y C 0.541 176.448 175.900 0.012 0.000 1.114 360 Y CA 0.173 58.281 58.100 0.014 0.000 1.235 360 Y CB 0.210 38.672 38.460 0.004 0.000 1.045 360 Y HN 0.004 nan 8.280 nan 0.000 0.554 361 M N -0.287 119.388 119.600 0.126 0.000 2.294 361 M HA 0.346 4.826 4.480 -0.000 0.000 0.335 361 M C -1.520 174.802 176.300 0.036 0.000 1.079 361 M CA -0.828 54.517 55.300 0.074 0.000 0.982 361 M CB 1.747 34.384 32.600 0.063 0.000 1.651 361 M HN -0.180 nan 8.290 nan 0.000 0.437 362 D N 5.057 125.474 120.400 0.027 0.000 2.232 362 D HA 0.474 5.114 4.640 -0.000 0.000 0.242 362 D C -2.169 174.139 176.300 0.013 0.000 1.093 362 D CA -1.029 52.980 54.000 0.015 0.000 0.845 362 D CB 1.271 42.078 40.800 0.011 0.000 1.124 362 D HN 0.556 nan 8.370 nan 0.000 0.467 363 P HA 0.338 nan 4.420 nan 0.000 0.278 363 P C -2.587 174.717 177.300 0.007 0.000 1.238 363 P CA -1.486 61.617 63.100 0.006 0.000 0.794 363 P CB 0.076 31.778 31.700 0.003 0.000 0.955 364 P HA 0.127 nan 4.420 nan 0.000 0.197 364 P C -0.795 176.507 177.300 0.003 0.000 1.121 364 P CA 1.054 64.156 63.100 0.005 0.000 1.318 364 P CB -0.804 30.897 31.700 0.001 0.000 1.634 365 A N 2.640 125.462 122.820 0.004 0.000 2.540 365 A HA 0.429 4.749 4.320 -0.000 0.000 0.297 365 A C -0.303 177.279 177.584 -0.003 0.000 1.056 365 A CA -0.769 51.267 52.037 -0.002 0.000 0.700 365 A CB 0.856 19.854 19.000 -0.005 0.000 1.280 365 A HN 0.174 nan 8.150 nan 0.000 0.398 366 I N 4.034 124.599 120.570 -0.008 0.000 2.906 366 I HA 0.035 4.205 4.170 -0.000 0.000 0.301 366 I C -1.210 174.891 176.117 -0.027 0.000 1.221 366 I CA -0.350 60.940 61.300 -0.016 0.000 1.435 366 I CB 0.175 38.163 38.000 -0.021 0.000 1.345 366 I HN 0.529 nan 8.210 nan 0.000 0.558 367 P HA 0.038 nan 4.420 nan 0.000 0.271 367 P C -0.664 176.605 177.300 -0.052 0.000 1.238 367 P CA -0.450 62.626 63.100 -0.041 0.000 0.794 367 P CB 0.525 32.194 31.700 -0.051 0.000 0.959 368 A N 0.008 122.800 122.820 -0.047 0.000 2.354 368 A HA 0.520 4.840 4.320 -0.000 0.000 0.269 368 A C 1.238 178.784 177.584 -0.065 0.000 1.109 368 A CA 0.198 52.206 52.037 -0.048 0.000 0.800 368 A CB -0.791 18.188 19.000 -0.036 0.000 1.045 368 A HN 0.904 nan 8.150 nan 0.000 0.489 369 G N 0.796 109.555 108.800 -0.069 0.000 2.176 369 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.252 369 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.252 369 G C 0.059 174.884 174.900 -0.125 0.000 1.024 369 G CA 0.313 45.364 45.100 -0.082 0.000 0.755 369 G HN 1.036 nan 8.290 nan 0.000 0.507 370 L N 0.667 121.799 121.223 -0.153 0.000 2.363 370 L HA 0.608 4.948 4.340 -0.000 0.000 0.286 370 L C 0.570 177.265 176.870 -0.291 0.000 1.106 370 L CA 0.145 54.828 54.840 -0.260 0.000 0.859 370 L CB 0.453 42.350 42.059 -0.271 0.000 1.223 370 L HN 0.422 nan 8.230 nan 0.000 0.446 371 A N 5.807 128.442 122.820 -0.307 0.000 2.311 371 A HA 0.550 4.870 4.320 -0.000 0.000 0.306 371 A C -1.037 176.402 177.584 -0.242 0.000 1.189 371 A CA -0.463 51.445 52.037 -0.214 0.000 0.791 371 A CB 0.524 19.457 19.000 -0.110 0.000 1.172 371 A HN 0.622 nan 8.150 nan 0.000 0.481 372 F N 1.649 121.571 119.950 -0.047 0.000 2.410 372 F HA 0.288 4.815 4.527 -0.000 0.000 0.348 372 F C 1.560 177.326 175.800 -0.056 0.000 1.106 372 F CA 0.214 58.180 58.000 -0.057 0.000 1.163 372 F CB 1.979 40.947 39.000 -0.053 0.000 1.129 372 F HN 0.640 nan 8.300 nan 0.000 0.516 373 T N 0.389 115.038 114.554 0.158 0.000 3.040 373 T HA 0.054 4.404 4.350 -0.000 0.000 0.252 373 T C 0.355 175.066 174.700 0.019 0.000 1.064 373 T CA 0.382 62.515 62.100 0.055 0.000 1.110 373 T CB 0.167 69.046 68.868 0.017 0.000 0.921 373 T HN 0.368 nan 8.240 nan 0.000 0.480 374 S N 1.741 117.444 115.700 0.005 0.000 2.600 374 S HA 0.556 5.026 4.470 -0.000 0.000 0.300 374 S C -2.721 171.752 174.600 -0.212 0.000 1.087 374 S CA -1.342 56.786 58.200 -0.121 0.000 0.965 374 S CB 2.072 65.173 63.200 -0.165 0.000 1.089 374 S HN 0.108 nan 8.310 nan 0.000 0.496 375 P HA 0.087 nan 4.420 nan 0.000 0.278 375 P C 1.294 178.307 177.300 -0.478 0.000 1.238 375 P CA -0.582 62.309 63.100 -0.348 0.000 0.794 375 P CB 0.362 31.828 31.700 -0.390 0.000 0.955 376 W N 4.270 125.425 121.300 -0.240 0.000 2.258 376 W HA -0.264 4.396 4.660 -0.000 0.000 0.302 376 W C 0.683 177.239 176.519 0.063 0.000 1.241 376 W CA 1.370 58.657 57.345 -0.097 0.000 1.246 376 W CB -2.090 27.399 29.460 0.049 0.000 1.134 376 W HN 0.345 nan 8.180 nan 0.000 0.531 377 F N 0.175 119.520 119.950 -1.008 0.000 2.693 377 F HA 0.482 5.009 4.527 -0.000 0.000 0.303 377 F C 1.568 177.157 175.800 -0.351 0.000 1.097 377 F CA -0.653 56.776 58.000 -0.952 0.000 1.330 377 F CB -0.861 37.268 39.000 -1.452 0.000 1.067 377 F HN -0.297 nan 8.300 nan 0.000 0.565 378 R N -0.020 120.138 120.500 -0.571 0.000 2.694 378 R HA 0.161 4.501 4.340 -0.000 0.000 0.334 378 R C 0.961 177.213 176.300 -0.080 0.000 1.143 378 R CA -0.480 55.446 56.100 -0.290 0.000 1.073 378 R CB -0.686 29.365 30.300 -0.415 0.000 1.366 378 R HN 0.283 nan 8.270 nan 0.000 0.577 379 F N 1.094 120.969 119.950 -0.124 0.000 2.076 379 F HA -0.527 4.000 4.527 -0.000 0.000 0.285 379 F C 2.463 178.275 175.800 0.020 0.000 1.083 379 F CA 2.445 60.437 58.000 -0.012 0.000 1.294 379 F CB -0.682 38.360 39.000 0.071 0.000 0.947 379 F HN 0.199 nan 8.300 nan 0.000 0.501 380 S N -0.385 115.435 115.700 0.200 0.000 2.393 380 S HA -0.364 4.106 4.470 -0.000 0.000 0.235 380 S C 1.934 176.503 174.600 -0.052 0.000 1.061 380 S CA 2.255 60.504 58.200 0.082 0.000 1.129 380 S CB -0.671 62.568 63.200 0.065 0.000 1.011 380 S HN 0.694 nan 8.310 nan 0.000 0.436 381 E N 0.103 120.265 120.200 -0.063 0.000 2.106 381 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 381 E C 2.546 179.101 176.600 -0.075 0.000 0.984 381 E CA 0.836 57.195 56.400 -0.068 0.000 0.806 381 E CB -0.173 29.486 29.700 -0.067 0.000 0.750 381 E HN 0.490 nan 8.360 nan 0.000 0.458 382 R N 0.348 120.763 120.500 -0.141 0.000 2.148 382 R HA 0.023 4.363 4.340 -0.000 0.000 0.223 382 R C 2.270 178.483 176.300 -0.144 0.000 1.088 382 R CA 0.853 56.901 56.100 -0.088 0.000 0.985 382 R CB -0.090 30.060 30.300 -0.249 0.000 0.880 382 R HN 0.107 nan 8.270 nan 0.000 0.451 383 A N 1.167 123.769 122.820 -0.363 0.000 1.929 383 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 383 A C 2.108 179.617 177.584 -0.124 0.000 1.176 383 A CA 0.890 52.738 52.037 -0.315 0.000 0.628 383 A CB -0.406 18.376 19.000 -0.362 0.000 0.816 383 A HN 0.184 nan 8.150 nan 0.000 0.444 384 R N -0.391 120.053 120.500 -0.093 0.000 2.094 384 R HA -0.163 4.176 4.340 -0.000 0.000 0.239 384 R C 2.095 178.365 176.300 -0.050 0.000 1.137 384 R CA 2.320 58.388 56.100 -0.052 0.000 0.943 384 R CB -0.805 29.471 30.300 -0.040 0.000 0.850 384 R HN 0.479 nan 8.270 nan 0.000 0.433 385 T N 1.987 116.515 114.554 -0.043 0.000 2.684 385 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 385 T C 1.903 176.544 174.700 -0.098 0.000 1.036 385 T CA 1.523 63.583 62.100 -0.066 0.000 1.148 385 T CB -0.134 68.710 68.868 -0.040 0.000 0.863 385 T HN 0.169 nan 8.240 nan 0.000 0.436 386 I N 1.161 121.693 120.570 -0.063 0.000 2.179 386 I HA -0.084 4.086 4.170 -0.000 0.000 0.242 386 I C 2.316 178.391 176.117 -0.070 0.000 1.088 386 I CA 1.372 62.628 61.300 -0.073 0.000 1.357 386 I CB -1.319 36.656 38.000 -0.042 0.000 1.051 386 I HN 0.271 nan 8.210 nan 0.000 0.409 387 L N 0.662 121.851 121.223 -0.056 0.000 2.456 387 L HA -0.084 4.256 4.340 -0.000 0.000 0.224 387 L C 2.167 179.013 176.870 -0.040 0.000 1.148 387 L CA 0.575 55.391 54.840 -0.040 0.000 0.825 387 L CB -0.454 41.588 42.059 -0.028 0.000 0.937 387 L HN 0.187 nan 8.230 nan 0.000 0.450 388 A N -0.497 122.291 122.820 -0.054 0.000 2.345 388 A HA 0.269 4.589 4.320 -0.000 0.000 0.225 388 A C 0.815 178.366 177.584 -0.056 0.000 1.243 388 A CA -0.302 51.705 52.037 -0.049 0.000 0.875 388 A CB -0.112 18.858 19.000 -0.052 0.000 0.929 388 A HN 0.231 nan 8.150 nan 0.000 0.502 389 L N 0.937 122.123 121.223 -0.063 0.000 2.363 389 L HA 0.104 4.444 4.340 -0.000 0.000 0.286 389 L C 1.067 177.913 176.870 -0.041 0.000 1.106 389 L CA -0.636 54.166 54.840 -0.062 0.000 0.859 389 L CB 0.652 42.667 42.059 -0.074 0.000 1.223 389 L HN 0.296 nan 8.230 nan 0.000 0.446 390 Q N 2.169 121.948 119.800 -0.035 0.000 2.364 390 Q HA -0.135 4.205 4.340 -0.000 0.000 0.209 390 Q C 1.237 177.226 176.000 -0.018 0.000 0.977 390 Q CA 1.187 56.977 55.803 -0.023 0.000 0.885 390 Q CB -0.100 28.626 28.738 -0.021 0.000 0.941 390 Q HN 0.795 nan 8.270 nan 0.000 0.464 391 N N -0.908 117.778 118.700 -0.022 0.000 2.322 391 N HA 0.082 4.822 4.740 -0.000 0.000 0.194 391 N C -0.330 175.174 175.510 -0.010 0.000 1.126 391 N CA -0.152 52.889 53.050 -0.016 0.000 0.845 391 N CB 0.694 39.170 38.487 -0.019 0.000 0.976 391 N HN -0.154 nan 8.380 nan 0.000 0.475 392 V N 2.218 122.126 119.914 -0.011 0.000 2.487 392 V HA 0.111 4.231 4.120 -0.000 0.000 0.298 392 V C -0.562 175.534 176.094 0.003 0.000 1.028 392 V CA -1.284 61.015 62.300 -0.001 0.000 0.860 392 V CB 1.545 33.364 31.823 -0.006 0.000 0.991 392 V HN 0.203 nan 8.190 nan 0.000 0.427 393 D N 4.151 124.559 120.400 0.014 0.000 2.458 393 D HA 0.019 4.659 4.640 -0.000 0.000 0.243 393 D C 1.250 177.559 176.300 0.016 0.000 1.146 393 D CA -0.451 53.559 54.000 0.015 0.000 0.877 393 D CB 1.727 42.540 40.800 0.022 0.000 1.176 393 D HN 0.310 nan 8.370 nan 0.000 0.461 394 L N 3.336 124.566 121.223 0.012 0.000 2.064 394 L HA -0.430 3.910 4.340 -0.000 0.000 0.234 394 L C 1.937 178.817 176.870 0.017 0.000 1.103 394 L CA 2.595 57.442 54.840 0.011 0.000 0.824 394 L CB -0.983 41.084 42.059 0.013 0.000 0.919 394 L HN 0.557 nan 8.230 nan 0.000 0.447 395 N N -0.257 118.461 118.700 0.029 0.000 2.133 395 N HA -0.286 4.454 4.740 -0.000 0.000 0.193 395 N C 1.999 177.534 175.510 0.042 0.000 1.012 395 N CA 2.523 55.597 53.050 0.041 0.000 0.871 395 N CB -0.796 37.722 38.487 0.053 0.000 1.011 395 N HN 0.553 nan 8.380 nan 0.000 0.435 396 I N 1.022 121.620 120.570 0.046 0.000 2.353 396 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 396 I C 2.531 178.619 176.117 -0.048 0.000 1.119 396 I CA 0.730 62.062 61.300 0.052 0.000 1.417 396 I CB -0.086 37.974 38.000 0.099 0.000 1.078 396 I HN 0.083 nan 8.210 nan 0.000 0.421 397 R N 0.966 121.445 120.500 -0.036 0.000 2.083 397 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 397 R C 2.270 178.526 176.300 -0.074 0.000 1.137 397 R CA 1.389 57.450 56.100 -0.063 0.000 0.951 397 R CB -0.345 29.934 30.300 -0.036 0.000 0.851 397 R HN 0.340 nan 8.270 nan 0.000 0.434 398 K N 0.808 121.187 120.400 -0.035 0.000 2.001 398 K HA -0.155 4.165 4.320 -0.000 0.000 0.214 398 K C 2.215 178.777 176.600 -0.064 0.000 1.050 398 K CA 1.468 57.747 56.287 -0.013 0.000 0.934 398 K CB -0.362 32.151 32.500 0.021 0.000 0.718 398 K HN 0.122 nan 8.250 nan 0.000 0.443 399 L N 1.075 122.232 121.223 -0.110 0.000 1.997 399 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 399 L C 2.494 179.090 176.870 -0.457 0.000 1.074 399 L CA 1.156 55.849 54.840 -0.245 0.000 0.763 399 L CB -0.754 41.226 42.059 -0.131 0.000 0.890 399 L HN 0.253 nan 8.230 nan 0.000 0.434 400 I N -0.296 119.938 120.570 -0.559 0.000 2.113 400 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 400 I C 2.628 178.625 176.117 -0.199 0.000 1.064 400 I CA 1.632 62.614 61.300 -0.529 0.000 1.320 400 I CB -1.101 36.696 38.000 -0.338 0.000 1.028 400 I HN 0.108 nan 8.210 nan 0.000 0.406 401 V N 0.987 120.858 119.914 -0.070 0.000 2.261 401 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 401 V C 2.681 178.953 176.094 0.296 0.000 1.047 401 V CA 1.866 64.248 62.300 0.137 0.000 1.015 401 V CB -0.776 31.127 31.823 0.134 0.000 0.642 401 V HN 0.379 nan 8.190 nan 0.000 0.446 402 R N -0.770 119.802 120.500 0.120 0.000 2.083 402 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 402 R C 2.343 178.727 176.300 0.139 0.000 1.137 402 R CA 2.131 58.308 56.100 0.128 0.000 0.951 402 R CB -0.691 29.625 30.300 0.027 0.000 0.851 402 R HN 0.707 nan 8.270 nan 0.000 0.434 403 H N 0.339 119.164 119.070 -0.408 0.000 2.270 403 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 403 H C 2.191 177.603 175.328 0.140 0.000 1.077 403 H CA 1.437 57.286 56.048 -0.330 0.000 1.294 403 H CB 0.044 29.507 29.762 -0.498 0.000 1.371 403 H HN 0.077 nan 8.280 nan 0.000 0.491 404 L N 0.180 121.561 121.223 0.263 0.000 2.081 404 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 404 L C 2.264 179.405 176.870 0.452 0.000 1.080 404 L CA 1.973 56.997 54.840 0.306 0.000 0.754 404 L CB -0.679 41.557 42.059 0.295 0.000 0.893 404 L HN 0.486 nan 8.230 nan 0.000 0.433 405 W N -0.747 120.751 121.300 0.330 0.000 2.333 405 W HA -0.248 4.412 4.660 -0.000 0.000 0.316 405 W C 2.397 178.950 176.519 0.057 0.000 1.215 405 W CA 2.613 59.944 57.345 -0.024 0.000 1.278 405 W CB -0.443 29.013 29.460 -0.006 0.000 1.154 405 W HN -0.047 nan 8.180 nan 0.000 0.486 406 V N 1.292 121.587 119.914 0.634 0.000 2.252 406 V HA -0.386 3.734 4.120 -0.000 0.000 0.249 406 V C 2.182 178.402 176.094 0.210 0.000 1.056 406 V CA 2.283 64.882 62.300 0.498 0.000 1.022 406 V CB -1.056 31.114 31.823 0.579 0.000 0.641 406 V HN 0.266 nan 8.190 nan 0.000 0.445 407 I N -0.264 120.448 120.570 0.238 0.000 2.163 407 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 407 I C 2.564 178.696 176.117 0.025 0.000 1.085 407 I CA 2.011 63.360 61.300 0.082 0.000 1.347 407 I CB -0.678 37.355 38.000 0.055 0.000 1.044 407 I HN 0.349 nan 8.210 nan 0.000 0.408 408 T N 0.311 114.865 114.554 0.000 0.000 2.684 408 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 408 T C 2.104 176.720 174.700 -0.140 0.000 1.036 408 T CA 1.948 64.047 62.100 -0.002 0.000 1.148 408 T CB -0.419 68.387 68.868 -0.104 0.000 0.863 408 T HN 0.582 nan 8.240 nan 0.000 0.436 409 S N 2.159 117.591 115.700 -0.447 0.000 2.359 409 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 409 S C 2.107 176.642 174.600 -0.109 0.000 1.039 409 S CA 1.298 59.232 58.200 -0.443 0.000 1.042 409 S CB -1.070 61.714 63.200 -0.692 0.000 0.915 409 S HN 0.457 nan 8.310 nan 0.000 0.439 410 L N 0.962 122.188 121.223 0.006 0.000 2.013 410 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 410 L C 2.754 179.694 176.870 0.117 0.000 1.073 410 L CA 1.823 56.748 54.840 0.142 0.000 0.753 410 L CB -0.702 41.404 42.059 0.077 0.000 0.890 410 L HN 0.358 nan 8.230 nan 0.000 0.432 411 I N -0.252 120.391 120.570 0.121 0.000 2.163 411 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 411 I C 2.742 178.783 176.117 -0.127 0.000 1.085 411 I CA 1.328 62.697 61.300 0.115 0.000 1.347 411 I CB -0.525 37.550 38.000 0.125 0.000 1.044 411 I HN 0.243 nan 8.210 nan 0.000 0.408 412 A N 0.086 122.893 122.820 -0.022 0.000 2.076 412 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 412 A C 2.323 179.871 177.584 -0.059 0.000 1.160 412 A CA 1.681 53.719 52.037 0.002 0.000 0.653 412 A CB -0.634 18.410 19.000 0.072 0.000 0.801 412 A HN 0.305 nan 8.150 nan 0.000 0.455 413 V N -2.204 117.666 119.914 -0.072 0.000 2.341 413 V HA -0.043 4.077 4.120 -0.000 0.000 0.240 413 V C 2.067 178.032 176.094 -0.214 0.000 1.035 413 V CA 1.349 63.577 62.300 -0.121 0.000 1.033 413 V CB -0.948 30.843 31.823 -0.053 0.000 0.678 413 V HN 0.497 nan 8.190 nan 0.000 0.464 414 F N 1.708 121.389 119.950 -0.448 0.000 2.407 414 F HA 0.104 4.631 4.527 -0.000 0.000 0.299 414 F C 2.263 177.772 175.800 -0.485 0.000 1.097 414 F CA 1.272 58.876 58.000 -0.660 0.000 1.422 414 F CB -0.821 37.252 39.000 -1.545 0.000 1.067 414 F HN 0.208 nan 8.300 nan 0.000 0.539 415 G N -0.627 108.041 108.800 -0.219 0.000 2.494 415 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 415 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 415 G C 1.679 176.728 174.900 0.248 0.000 1.140 415 G CA -0.031 45.073 45.100 0.007 0.000 0.801 415 G HN 0.168 nan 8.290 nan 0.000 0.536 416 R N -0.477 120.039 120.500 0.026 0.000 2.246 416 R HA -0.237 4.103 4.340 -0.000 0.000 0.266 416 R C 1.324 177.511 176.300 -0.188 0.000 1.163 416 R CA 1.879 57.893 56.100 -0.144 0.000 0.992 416 R CB -0.570 29.427 30.300 -0.505 0.000 0.895 416 R HN 0.574 nan 8.270 nan 0.000 0.465 417 Y N -1.424 118.987 120.300 0.184 0.000 2.495 417 Y HA 0.061 4.611 4.550 -0.000 0.000 0.293 417 Y C 0.109 176.136 175.900 0.212 0.000 1.186 417 Y CA -0.975 57.218 58.100 0.155 0.000 1.266 417 Y CB -0.088 38.430 38.460 0.098 0.000 1.101 417 Y HN 0.023 nan 8.280 nan 0.000 0.517 418 Y N 2.778 123.200 120.300 0.203 0.000 2.650 418 Y HA 0.169 4.719 4.550 -0.000 0.000 0.331 418 Y C 0.262 176.220 175.900 0.096 0.000 1.165 418 Y CA -0.602 57.597 58.100 0.165 0.000 1.473 418 Y CB 0.128 38.704 38.460 0.193 0.000 1.224 418 Y HN 0.209 nan 8.280 nan 0.000 0.533 419 R N 7.693 128.092 120.500 -0.169 0.000 3.130 419 R HA 0.290 4.630 4.340 -0.000 0.000 0.261 419 R C -2.660 173.503 176.300 -0.228 0.000 1.683 419 R CA -1.080 54.871 56.100 -0.249 0.000 1.095 419 R CB 0.750 31.007 30.300 -0.073 0.000 1.421 419 R HN 0.391 nan 8.270 nan 0.000 0.454 420 P HA -0.101 nan 4.420 nan 0.000 0.213 420 P C -0.398 176.846 177.300 -0.093 0.000 1.170 420 P CA 0.602 63.588 63.100 -0.190 0.000 0.893 420 P CB 0.057 31.619 31.700 -0.229 0.000 0.784 421 N N 0.000 118.638 118.700 -0.104 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.014 53.050 -0.059 0.000 0.885 421 N CB 0.000 38.451 38.487 -0.060 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667