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 2pu2_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.417 177.584 -0.278 0.000 1.274 4 A CA 0.000 51.852 52.037 -0.308 0.000 0.836 4 A CB 0.000 18.846 19.000 -0.257 0.000 0.831 5 P HA 0.016 nan 4.420 nan 0.000 0.264 5 P C 0.855 178.034 177.300 -0.202 0.000 1.179 5 P CA 0.019 62.959 63.100 -0.266 0.000 0.763 5 P CB 0.614 32.106 31.700 -0.348 0.000 0.806 6 Q N 2.828 122.554 119.800 -0.123 0.000 2.152 6 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 6 Q C 1.763 177.710 176.000 -0.088 0.000 0.985 6 Q CA 2.258 58.014 55.803 -0.079 0.000 0.863 6 Q CB -0.024 28.684 28.738 -0.050 0.000 0.904 6 Q HN 0.705 nan 8.270 nan 0.000 0.422 7 Q N -0.700 119.021 119.800 -0.132 0.000 2.167 7 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 7 Q C 2.036 177.942 176.000 -0.156 0.000 0.970 7 Q CA 1.353 57.077 55.803 -0.131 0.000 0.855 7 Q CB -0.298 28.354 28.738 -0.143 0.000 0.911 7 Q HN 0.437 nan 8.270 nan 0.000 0.438 8 I N 1.403 121.837 120.570 -0.226 0.000 2.163 8 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 8 I C 1.852 177.938 176.117 -0.050 0.000 1.081 8 I CA 0.936 62.127 61.300 -0.180 0.000 1.353 8 I CB -0.533 37.312 38.000 -0.259 0.000 1.054 8 I HN 0.285 nan 8.210 nan 0.000 0.407 9 N N 0.928 119.646 118.700 0.029 0.000 2.094 9 N HA -0.247 4.493 4.740 -0.000 0.000 0.191 9 N C 1.500 177.045 175.510 0.059 0.000 1.023 9 N CA 1.839 54.965 53.050 0.127 0.000 0.857 9 N CB -0.582 37.971 38.487 0.111 0.000 1.013 9 N HN 0.408 nan 8.380 nan 0.000 0.426 10 D N 0.558 120.971 120.400 0.022 0.000 2.078 10 D HA -0.095 4.545 4.640 -0.000 0.000 0.193 10 D C 1.888 178.207 176.300 0.032 0.000 0.990 10 D CA 0.581 54.606 54.000 0.042 0.000 0.827 10 D CB -0.222 40.584 40.800 0.009 0.000 0.975 10 D HN 0.091 nan 8.370 nan 0.000 0.451 11 I N -0.162 120.395 120.570 -0.022 0.000 2.315 11 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 11 I C 2.105 178.193 176.117 -0.047 0.000 1.117 11 I CA 0.823 62.102 61.300 -0.034 0.000 1.404 11 I CB -0.190 37.778 38.000 -0.052 0.000 1.071 11 I HN -0.011 nan 8.210 nan 0.000 0.419 12 V N 0.111 119.961 119.914 -0.107 0.000 2.295 12 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 12 V C 2.532 178.625 176.094 -0.001 0.000 1.049 12 V CA 2.265 64.458 62.300 -0.178 0.000 1.024 12 V CB -1.119 30.314 31.823 -0.650 0.000 0.648 12 V HN 0.531 nan 8.190 nan 0.000 0.447 13 H N 0.870 119.925 119.070 -0.025 0.000 2.321 13 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 13 H C 2.424 177.774 175.328 0.036 0.000 1.087 13 H CA 1.936 58.041 56.048 0.095 0.000 1.319 13 H CB -0.108 29.717 29.762 0.105 0.000 1.379 13 H HN 0.251 nan 8.280 nan 0.000 0.501 14 R N -1.040 119.439 120.500 -0.035 0.000 2.189 14 R HA -0.034 4.306 4.340 -0.000 0.000 0.223 14 R C 1.603 177.844 176.300 -0.099 0.000 1.092 14 R CA 1.509 57.545 56.100 -0.108 0.000 0.989 14 R CB 0.182 30.458 30.300 -0.041 0.000 0.876 14 R HN 0.371 nan 8.270 nan 0.000 0.457 15 T N 0.418 114.926 114.554 -0.078 0.000 3.044 15 T HA 0.111 4.461 4.350 -0.000 0.000 0.237 15 T C 1.756 176.380 174.700 -0.127 0.000 1.001 15 T CA 0.215 62.273 62.100 -0.070 0.000 1.160 15 T CB 0.196 69.047 68.868 -0.029 0.000 0.889 15 T HN -0.046 nan 8.240 nan 0.000 0.442 16 I N 2.312 122.777 120.570 -0.175 0.000 2.286 16 I HA -0.060 4.110 4.170 -0.000 0.000 0.245 16 I C 2.582 178.385 176.117 -0.523 0.000 1.104 16 I CA 1.360 62.446 61.300 -0.358 0.000 1.397 16 I CB -1.839 35.857 38.000 -0.508 0.000 1.072 16 I HN 0.263 nan 8.210 nan 0.000 0.417 17 T N 2.094 116.401 114.554 -0.411 0.000 2.684 17 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 17 T C -0.255 174.273 174.700 -0.286 0.000 1.036 17 T CA 1.526 63.402 62.100 -0.373 0.000 1.148 17 T CB -1.464 67.338 68.868 -0.110 0.000 0.863 17 T HN 0.235 nan 8.240 nan 0.000 0.436 18 P HA 0.014 nan 4.420 nan 0.000 0.217 18 P C 1.671 178.868 177.300 -0.171 0.000 1.150 18 P CA 0.432 63.432 63.100 -0.167 0.000 0.832 18 P CB -0.186 31.437 31.700 -0.130 0.000 0.787 19 L N -0.501 120.601 121.223 -0.201 0.000 2.012 19 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 19 L C 2.164 178.867 176.870 -0.279 0.000 1.073 19 L CA 1.853 56.569 54.840 -0.208 0.000 0.748 19 L CB -1.179 40.758 42.059 -0.204 0.000 0.891 19 L HN -0.137 nan 8.230 nan 0.000 0.431 20 I N -0.458 119.907 120.570 -0.342 0.000 2.163 20 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 20 I C 2.473 178.463 176.117 -0.212 0.000 1.085 20 I CA 1.258 62.364 61.300 -0.324 0.000 1.347 20 I CB -0.506 37.260 38.000 -0.390 0.000 1.044 20 I HN 0.348 nan 8.210 nan 0.000 0.408 21 E N 0.638 120.733 120.200 -0.175 0.000 2.047 21 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 21 E C 2.173 178.713 176.600 -0.099 0.000 0.987 21 E CA 1.284 57.616 56.400 -0.113 0.000 0.799 21 E CB -0.404 29.241 29.700 -0.092 0.000 0.752 21 E HN 0.592 nan 8.360 nan 0.000 0.449 22 Q N 0.217 119.953 119.800 -0.107 0.000 2.096 22 Q HA -0.132 4.208 4.340 -0.000 0.000 0.204 22 Q C 1.923 177.878 176.000 -0.075 0.000 0.982 22 Q CA 1.157 56.913 55.803 -0.079 0.000 0.850 22 Q CB 0.082 28.777 28.738 -0.072 0.000 0.901 22 Q HN 0.174 nan 8.270 nan 0.000 0.422 23 Q N 0.006 119.734 119.800 -0.120 0.000 2.319 23 Q HA 0.089 4.429 4.340 -0.000 0.000 0.202 23 Q C -0.433 175.511 176.000 -0.093 0.000 0.896 23 Q CA 0.136 55.875 55.803 -0.108 0.000 0.942 23 Q CB 0.720 29.322 28.738 -0.227 0.000 1.083 23 Q HN 0.267 nan 8.270 nan 0.000 0.510 24 K N 0.950 121.291 120.400 -0.098 0.000 3.419 24 K HA -0.172 4.148 4.320 -0.000 0.000 0.272 24 K C -0.650 175.905 176.600 -0.075 0.000 0.973 24 K CA 0.247 56.490 56.287 -0.074 0.000 0.749 24 K CB -1.836 30.639 32.500 -0.043 0.000 1.403 24 K HN 0.256 nan 8.250 nan 0.000 0.456 25 I N 1.125 121.625 120.570 -0.117 0.000 2.337 25 I HA 0.050 4.220 4.170 -0.000 0.000 0.291 25 I C -0.990 175.111 176.117 -0.028 0.000 1.046 25 I CA -2.243 59.006 61.300 -0.086 0.000 1.324 25 I CB 0.965 38.852 38.000 -0.188 0.000 1.409 25 I HN 0.051 nan 8.210 nan 0.000 0.494 26 P HA -0.019 nan 4.420 nan 0.000 0.217 26 P C 0.407 177.773 177.300 0.109 0.000 1.150 26 P CA 0.568 63.669 63.100 0.002 0.000 0.832 26 P CB 0.293 31.915 31.700 -0.131 0.000 0.787 27 G N -1.362 107.561 108.800 0.205 0.000 2.733 27 G HA2 0.669 4.629 3.960 -0.000 0.000 0.297 27 G HA3 0.669 4.629 3.960 -0.000 0.000 0.297 27 G C -1.958 173.197 174.900 0.425 0.000 1.422 27 G CA -0.390 44.902 45.100 0.321 0.000 0.942 27 G HN 0.051 nan 8.290 nan 0.000 0.510 28 M N 1.273 121.162 119.600 0.481 0.000 2.365 28 M HA 0.708 5.188 4.480 -0.000 0.000 0.288 28 M C -1.405 175.226 176.300 0.552 0.000 1.152 28 M CA -0.468 55.091 55.300 0.431 0.000 0.948 28 M CB 2.176 34.916 32.600 0.233 0.000 1.729 28 M HN 1.072 nan 8.290 nan 0.000 0.487 29 A N 3.519 126.537 122.820 0.330 0.000 2.386 29 A HA 0.907 5.227 4.320 -0.000 0.000 0.311 29 A C -1.679 176.115 177.584 0.351 0.000 1.068 29 A CA -0.636 51.627 52.037 0.376 0.000 0.743 29 A CB 1.778 20.963 19.000 0.309 0.000 1.258 29 A HN 0.642 nan 8.150 nan 0.000 0.429 30 V N 0.736 120.956 119.914 0.511 0.000 2.789 30 V HA 0.792 4.912 4.120 -0.000 0.000 0.311 30 V C 0.090 176.485 176.094 0.502 0.000 1.073 30 V CA -0.269 62.315 62.300 0.472 0.000 0.921 30 V CB 1.846 33.983 31.823 0.523 0.000 1.009 30 V HN 1.407 nan 8.190 nan 0.000 0.426 31 A N 3.734 126.775 122.820 0.368 0.000 2.343 31 A HA 0.888 5.208 4.320 -0.000 0.000 0.316 31 A C -1.078 176.635 177.584 0.214 0.000 1.104 31 A CA -0.566 51.623 52.037 0.253 0.000 0.768 31 A CB 1.743 20.849 19.000 0.177 0.000 1.213 31 A HN 0.674 nan 8.150 nan 0.000 0.456 32 V N 3.389 123.440 119.914 0.229 0.000 2.417 32 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 32 V C -0.831 175.367 176.094 0.172 0.000 1.024 32 V CA -0.301 62.130 62.300 0.219 0.000 0.861 32 V CB 1.289 33.283 31.823 0.285 0.000 0.985 32 V HN 0.711 nan 8.190 nan 0.000 0.436 33 I N 5.909 126.543 120.570 0.107 0.000 2.312 33 I HA 0.380 4.550 4.170 -0.000 0.000 0.290 33 I C -0.666 175.549 176.117 0.164 0.000 1.008 33 I CA -0.323 61.011 61.300 0.057 0.000 1.226 33 I CB 0.753 38.724 38.000 -0.048 0.000 1.371 33 I HN 0.585 nan 8.210 nan 0.000 0.468 34 Y N 5.217 125.582 120.300 0.109 0.000 2.361 34 Y HA 0.352 4.902 4.550 0.000 0.000 0.337 34 Y C 0.291 176.244 175.900 0.088 0.000 0.965 34 Y CA -0.912 57.255 58.100 0.110 0.000 1.091 34 Y CB 1.225 39.790 38.460 0.174 0.000 1.182 34 Y HN 0.676 nan 8.280 nan 0.000 0.450 35 Q N 4.644 124.135 119.800 -0.514 0.000 2.434 35 Q HA -0.280 4.060 4.340 -0.000 0.000 0.299 35 Q C 1.134 177.037 176.000 -0.161 0.000 1.286 35 Q CA 1.250 56.835 55.803 -0.363 0.000 0.872 35 Q CB -1.504 26.994 28.738 -0.400 0.000 1.193 35 Q HN 1.366 nan 8.270 nan 0.000 0.466 36 G N -0.810 107.908 108.800 -0.137 0.000 2.234 36 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 36 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 36 G C 0.064 174.899 174.900 -0.108 0.000 0.987 36 G CA 0.713 45.742 45.100 -0.119 0.000 0.625 36 G HN 0.332 nan 8.290 nan 0.000 0.532 37 K N 1.727 122.074 120.400 -0.088 0.000 2.138 37 K HA 0.539 4.859 4.320 -0.000 0.000 0.263 37 K C -2.632 173.743 176.600 -0.374 0.000 0.965 37 K CA -1.901 54.264 56.287 -0.204 0.000 0.868 37 K CB 2.472 34.852 32.500 -0.201 0.000 1.083 37 K HN 0.102 nan 8.250 nan 0.000 0.443 38 P HA 0.191 nan 4.420 nan 0.000 0.288 38 P C -1.476 175.174 177.300 -1.083 0.000 1.267 38 P CA -0.352 62.363 63.100 -0.641 0.000 0.815 38 P CB 0.539 31.923 31.700 -0.526 0.000 0.989 39 Y N 1.217 121.230 120.300 -0.479 0.000 2.406 39 Y HA 0.452 5.002 4.550 -0.000 0.000 0.340 39 Y C -0.164 175.397 175.900 -0.564 0.000 0.975 39 Y CA -0.616 57.229 58.100 -0.425 0.000 1.056 39 Y CB 1.897 40.283 38.460 -0.124 0.000 1.210 39 Y HN 0.282 nan 8.280 nan 0.000 0.448 40 Y N 2.481 122.613 120.300 -0.280 0.000 2.446 40 Y HA 0.699 5.249 4.550 -0.000 0.000 0.338 40 Y C -1.034 174.454 175.900 -0.687 0.000 1.055 40 Y CA -1.575 56.378 58.100 -0.245 0.000 1.101 40 Y CB 1.439 39.821 38.460 -0.131 0.000 1.221 40 Y HN 0.385 nan 8.280 nan 0.000 0.460 41 F N 0.132 120.171 119.950 0.148 0.000 2.581 41 F HA 0.638 5.165 4.527 -0.000 0.000 0.311 41 F C -0.340 175.316 175.800 -0.240 0.000 1.113 41 F CA -0.977 56.919 58.000 -0.173 0.000 0.935 41 F CB 2.375 41.254 39.000 -0.201 0.000 1.232 41 F HN 0.389 nan 8.300 nan 0.000 0.445 42 T N -1.413 112.916 114.554 -0.375 0.000 2.903 42 T HA 0.683 5.033 4.350 -0.000 0.000 0.299 42 T C -1.659 172.816 174.700 -0.375 0.000 1.093 42 T CA -0.747 61.270 62.100 -0.139 0.000 1.002 42 T CB 1.922 70.813 68.868 0.038 0.000 1.127 42 T HN 0.597 nan 8.240 nan 0.000 0.488 43 W N 0.540 121.928 121.300 0.147 0.000 3.138 43 W HA 0.515 5.175 4.660 -0.000 0.000 0.331 43 W C 0.732 177.273 176.519 0.038 0.000 1.166 43 W CA -0.127 57.264 57.345 0.077 0.000 1.212 43 W CB 1.781 31.285 29.460 0.073 0.000 1.399 43 W HN 1.429 nan 8.180 nan 0.000 0.514 44 G N 1.527 110.397 108.800 0.117 0.000 2.553 44 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.242 44 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.242 44 G C -1.674 173.149 174.900 -0.128 0.000 1.277 44 G CA -0.528 44.505 45.100 -0.112 0.000 0.910 44 G HN 0.539 nan 8.290 nan 0.000 0.576 45 Y N 0.383 120.775 120.300 0.153 0.000 2.364 45 Y HA 0.549 5.099 4.550 -0.000 0.000 0.340 45 Y C 1.411 177.420 175.900 0.183 0.000 0.975 45 Y CA -0.329 57.853 58.100 0.137 0.000 1.089 45 Y CB 1.968 40.476 38.460 0.080 0.000 1.192 45 Y HN 0.848 nan 8.280 nan 0.000 0.454 46 A N 1.295 124.323 122.820 0.347 0.000 1.969 46 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 46 A C 0.350 178.145 177.584 0.351 0.000 1.169 46 A CA 1.553 53.744 52.037 0.256 0.000 0.635 46 A CB -0.036 19.048 19.000 0.140 0.000 0.810 46 A HN 0.679 nan 8.150 nan 0.000 0.445 47 D N -1.424 119.175 120.400 0.333 0.000 2.686 47 D HA 0.448 5.088 4.640 -0.000 0.000 0.249 47 D C 0.668 177.035 176.300 0.111 0.000 1.260 47 D CA -0.466 53.731 54.000 0.329 0.000 0.910 47 D CB 0.959 41.928 40.800 0.282 0.000 1.323 47 D HN 0.125 nan 8.370 nan 0.000 0.561 48 I N 2.337 122.968 120.570 0.102 0.000 2.133 48 I HA -0.187 3.983 4.170 -0.000 0.000 0.238 48 I C 2.517 178.504 176.117 -0.216 0.000 1.074 48 I CA 1.079 62.292 61.300 -0.145 0.000 1.342 48 I CB -0.222 37.636 38.000 -0.237 0.000 1.053 48 I HN 0.477 nan 8.210 nan 0.000 0.404 49 A N 0.730 123.480 122.820 -0.117 0.000 1.884 49 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 49 A C 2.324 179.826 177.584 -0.137 0.000 1.197 49 A CA 2.349 54.312 52.037 -0.124 0.000 0.637 49 A CB -0.660 18.269 19.000 -0.117 0.000 0.827 49 A HN 0.387 nan 8.150 nan 0.000 0.450 50 K N -0.811 119.520 120.400 -0.114 0.000 2.487 50 K HA 0.031 4.351 4.320 -0.000 0.000 0.192 50 K C -0.250 176.253 176.600 -0.161 0.000 1.027 50 K CA 0.331 56.563 56.287 -0.091 0.000 1.054 50 K CB -0.068 32.424 32.500 -0.013 0.000 0.824 50 K HN 0.400 nan 8.250 nan 0.000 0.510 51 K N 1.644 121.829 120.400 -0.359 0.000 3.071 51 K HA -0.168 4.152 4.320 -0.000 0.000 0.262 51 K C -0.950 175.494 176.600 -0.260 0.000 0.977 51 K CA 0.470 56.334 56.287 -0.704 0.000 0.721 51 K CB -0.868 31.336 32.500 -0.493 0.000 1.293 51 K HN 0.297 nan 8.250 nan 0.000 0.475 52 Q N 0.650 120.412 119.800 -0.064 0.000 2.294 52 Q HA 0.193 4.533 4.340 -0.000 0.000 0.257 52 Q C -2.100 174.088 176.000 0.315 0.000 0.955 52 Q CA -1.726 54.151 55.803 0.123 0.000 0.936 52 Q CB 1.018 29.827 28.738 0.118 0.000 1.188 52 Q HN 0.169 nan 8.270 nan 0.000 0.420 53 P HA 0.061 nan 4.420 nan 0.000 0.274 53 P C -0.150 177.282 177.300 0.220 0.000 1.231 53 P CA -0.319 62.967 63.100 0.311 0.000 0.790 53 P CB 0.850 32.666 31.700 0.192 0.000 0.951 54 V N 2.663 122.709 119.914 0.219 0.000 2.521 54 V HA 0.174 4.294 4.120 -0.000 0.000 0.286 54 V C 1.296 177.490 176.094 0.166 0.000 1.034 54 V CA 0.705 63.142 62.300 0.229 0.000 1.045 54 V CB 0.114 32.152 31.823 0.357 0.000 0.974 54 V HN 0.844 nan 8.190 nan 0.000 0.480 55 T N 1.450 116.086 114.554 0.137 0.000 2.883 55 T HA 0.350 4.700 4.350 -0.000 0.000 0.284 55 T C 0.635 175.379 174.700 0.073 0.000 1.041 55 T CA -0.695 61.449 62.100 0.073 0.000 1.007 55 T CB 1.551 70.434 68.868 0.026 0.000 1.220 55 T HN 0.442 nan 8.240 nan 0.000 0.552 56 Q N -0.319 119.465 119.800 -0.026 0.000 2.364 56 Q HA -0.099 4.241 4.340 -0.000 0.000 0.209 56 Q C 1.992 177.931 176.000 -0.102 0.000 0.977 56 Q CA 1.443 57.178 55.803 -0.113 0.000 0.885 56 Q CB -0.173 28.401 28.738 -0.273 0.000 0.941 56 Q HN 0.660 nan 8.270 nan 0.000 0.464 57 Q N -0.510 119.238 119.800 -0.085 0.000 2.392 57 Q HA 0.061 4.401 4.340 -0.000 0.000 0.203 57 Q C -0.088 175.894 176.000 -0.031 0.000 0.917 57 Q CA 0.151 55.876 55.803 -0.129 0.000 0.939 57 Q CB 0.694 29.349 28.738 -0.139 0.000 1.063 57 Q HN 0.114 nan 8.270 nan 0.000 0.516 58 T N 1.666 116.248 114.554 0.046 0.000 2.834 58 T HA 0.201 4.551 4.350 -0.000 0.000 0.298 58 T C -0.290 174.446 174.700 0.060 0.000 0.966 58 T CA -0.136 61.986 62.100 0.037 0.000 1.141 58 T CB 0.448 69.335 68.868 0.032 0.000 0.905 58 T HN -0.008 nan 8.240 nan 0.000 0.535 59 L N 4.301 125.523 121.223 -0.001 0.000 2.292 59 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 59 L C -0.378 176.472 176.870 -0.032 0.000 1.065 59 L CA 0.039 54.895 54.840 0.026 0.000 0.806 59 L CB 0.276 42.294 42.059 -0.067 0.000 1.175 59 L HN 0.538 nan 8.230 nan 0.000 0.431 60 F N 0.756 120.752 119.950 0.078 0.000 2.507 60 F HA 0.403 4.930 4.527 0.000 0.000 0.327 60 F C 0.511 176.107 175.800 -0.339 0.000 1.068 60 F CA -0.874 57.133 58.000 0.012 0.000 0.965 60 F CB 1.311 40.441 39.000 0.216 0.000 1.192 60 F HN 0.399 nan 8.300 nan 0.000 0.476 61 E N 3.048 122.760 120.200 -0.814 0.000 2.217 61 E HA 0.129 4.479 4.350 -0.000 0.000 0.279 61 E C 0.566 177.078 176.600 -0.148 0.000 1.068 61 E CA -0.033 56.041 56.400 -0.543 0.000 0.882 61 E CB 0.725 29.987 29.700 -0.730 0.000 1.039 61 E HN 0.615 nan 8.360 nan 0.000 0.418 62 L N 2.961 124.178 121.223 -0.009 0.000 2.376 62 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 62 L C 1.512 178.473 176.870 0.152 0.000 1.133 62 L CA 0.593 55.498 54.840 0.108 0.000 0.816 62 L CB -1.014 41.113 42.059 0.114 0.000 0.933 62 L HN 0.896 nan 8.230 nan 0.000 0.449 63 G N 0.420 109.307 108.800 0.146 0.000 2.611 63 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.301 63 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.301 63 G C 0.869 175.911 174.900 0.237 0.000 1.233 63 G CA 0.443 45.667 45.100 0.208 0.000 0.993 63 G HN 0.219 nan 8.290 nan 0.000 0.553 64 S N -0.139 115.703 115.700 0.237 0.000 2.507 64 S HA 0.035 4.504 4.470 -0.000 0.000 0.235 64 S C 2.390 177.123 174.600 0.221 0.000 0.988 64 S CA 1.287 59.643 58.200 0.260 0.000 0.944 64 S CB -0.125 63.266 63.200 0.317 0.000 0.762 64 S HN 0.725 nan 8.310 nan 0.000 0.526 65 V N 1.692 121.724 119.914 0.197 0.000 2.867 65 V HA -0.149 3.971 4.120 -0.000 0.000 0.260 65 V C 2.149 178.363 176.094 0.199 0.000 1.099 65 V CA 1.427 63.827 62.300 0.166 0.000 1.122 65 V CB -0.896 31.046 31.823 0.198 0.000 0.708 65 V HN 0.454 nan 8.190 nan 0.000 0.490 66 S N -0.017 115.820 115.700 0.230 0.000 2.402 66 S HA -0.274 4.196 4.470 -0.000 0.000 0.233 66 S C 1.912 176.665 174.600 0.255 0.000 1.030 66 S CA 1.521 59.880 58.200 0.264 0.000 1.003 66 S CB -0.312 62.980 63.200 0.154 0.000 0.813 66 S HN 0.656 nan 8.310 nan 0.000 0.477 67 K N 0.837 121.344 120.400 0.178 0.000 2.281 67 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 67 K C 2.450 179.079 176.600 0.049 0.000 1.046 67 K CA 1.580 57.953 56.287 0.143 0.000 0.938 67 K CB -0.495 32.110 32.500 0.174 0.000 0.737 67 K HN 0.650 nan 8.250 nan 0.000 0.458 68 T N -1.209 113.286 114.554 -0.099 0.000 2.857 68 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 68 T C 1.766 176.460 174.700 -0.010 0.000 1.048 68 T CA 0.757 62.614 62.100 -0.406 0.000 1.139 68 T CB -0.384 67.841 68.868 -1.071 0.000 0.874 68 T HN 0.032 nan 8.240 nan 0.000 0.455 69 F N 2.237 122.223 119.950 0.060 0.000 2.146 69 F HA 0.028 4.555 4.527 0.000 0.000 0.298 69 F C 3.021 178.872 175.800 0.084 0.000 1.096 69 F CA 1.401 59.397 58.000 -0.005 0.000 1.275 69 F CB -1.148 37.738 39.000 -0.190 0.000 1.008 69 F HN 0.142 nan 8.300 nan 0.000 0.480 70 T N -0.559 114.186 114.554 0.318 0.000 2.746 70 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 70 T C 2.374 177.259 174.700 0.308 0.000 1.039 70 T CA 1.367 63.666 62.100 0.333 0.000 1.142 70 T CB -1.030 68.037 68.868 0.332 0.000 0.866 70 T HN 0.442 nan 8.240 nan 0.000 0.444 71 G N 0.996 109.939 108.800 0.238 0.000 2.418 71 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 71 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 71 G C 1.687 176.736 174.900 0.249 0.000 1.158 71 G CA 0.821 46.052 45.100 0.218 0.000 0.771 71 G HN 0.438 nan 8.290 nan 0.000 0.545 72 V N 0.526 120.597 119.914 0.261 0.000 2.453 72 V HA -0.073 4.047 4.120 -0.000 0.000 0.247 72 V C 2.643 178.851 176.094 0.190 0.000 1.048 72 V CA 1.457 63.921 62.300 0.273 0.000 1.049 72 V CB -0.232 31.845 31.823 0.422 0.000 0.672 72 V HN 0.346 nan 8.190 nan 0.000 0.457 73 L N 1.316 122.626 121.223 0.146 0.000 2.093 73 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 73 L C 2.315 179.192 176.870 0.012 0.000 1.085 73 L CA 2.375 57.221 54.840 0.010 0.000 0.755 73 L CB -1.215 40.766 42.059 -0.130 0.000 0.904 73 L HN 0.257 nan 8.230 nan 0.000 0.435 74 G N -1.037 107.829 108.800 0.110 0.000 2.418 74 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 74 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 74 G C 1.522 176.518 174.900 0.158 0.000 1.158 74 G CA 0.554 45.732 45.100 0.130 0.000 0.771 74 G HN 0.584 nan 8.290 nan 0.000 0.545 75 G N 0.646 109.555 108.800 0.181 0.000 2.418 75 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 75 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 75 G C 1.440 176.393 174.900 0.088 0.000 1.158 75 G CA 1.376 46.562 45.100 0.144 0.000 0.771 75 G HN 0.521 nan 8.290 nan 0.000 0.545 76 D N 0.464 120.903 120.400 0.065 0.000 2.144 76 D HA 0.044 4.684 4.640 -0.000 0.000 0.199 76 D C 2.621 178.920 176.300 -0.001 0.000 0.984 76 D CA 1.402 55.418 54.000 0.027 0.000 0.834 76 D CB -0.237 40.570 40.800 0.011 0.000 0.955 76 D HN 0.250 nan 8.370 nan 0.000 0.465 77 A N -0.096 122.711 122.820 -0.022 0.000 1.969 77 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 77 A C 2.264 179.835 177.584 -0.020 0.000 1.169 77 A CA 0.870 52.877 52.037 -0.051 0.000 0.635 77 A CB -0.667 18.263 19.000 -0.118 0.000 0.810 77 A HN 0.374 nan 8.150 nan 0.000 0.445 78 I N -0.117 120.462 120.570 0.015 0.000 2.179 78 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 78 I C 2.927 179.064 176.117 0.034 0.000 1.088 78 I CA 1.161 62.484 61.300 0.039 0.000 1.357 78 I CB -0.312 37.733 38.000 0.075 0.000 1.051 78 I HN 0.323 nan 8.210 nan 0.000 0.409 79 A N 0.690 123.529 122.820 0.032 0.000 1.972 79 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 79 A C 2.280 179.872 177.584 0.013 0.000 1.169 79 A CA 1.286 53.338 52.037 0.025 0.000 0.635 79 A CB -0.545 18.470 19.000 0.025 0.000 0.810 79 A HN 0.339 nan 8.150 nan 0.000 0.446 80 R N -1.129 119.374 120.500 0.004 0.000 2.323 80 R HA 0.133 4.473 4.340 -0.000 0.000 0.198 80 R C 1.330 177.633 176.300 0.004 0.000 0.988 80 R CA 0.494 56.592 56.100 -0.003 0.000 1.041 80 R CB -0.289 30.000 30.300 -0.018 0.000 0.926 80 R HN 0.677 nan 8.270 nan 0.000 0.476 81 G N 1.092 109.900 108.800 0.014 0.000 2.166 81 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 81 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 81 G C 0.587 175.506 174.900 0.032 0.000 0.986 81 G CA 0.744 45.859 45.100 0.025 0.000 0.683 81 G HN 0.470 nan 8.290 nan 0.000 0.527 82 E N -0.590 119.621 120.200 0.018 0.000 2.158 82 E HA 0.229 4.579 4.350 -0.000 0.000 0.191 82 E C 1.575 178.210 176.600 0.059 0.000 0.982 82 E CA 1.116 57.530 56.400 0.023 0.000 0.823 82 E CB 0.147 29.834 29.700 -0.020 0.000 0.766 82 E HN 0.901 nan 8.360 nan 0.000 0.468 83 I N -2.502 118.078 120.570 0.017 0.000 3.042 83 I HA 0.487 4.657 4.170 -0.000 0.000 0.310 83 I C -1.306 174.860 176.117 0.080 0.000 1.117 83 I CA -1.232 60.079 61.300 0.018 0.000 1.003 83 I CB 2.261 40.084 38.000 -0.296 0.000 1.228 83 I HN -0.342 nan 8.210 nan 0.000 0.443 84 K N 3.043 123.536 120.400 0.154 0.000 2.378 84 K HA 0.477 4.797 4.320 -0.000 0.000 0.252 84 K C 0.020 176.703 176.600 0.138 0.000 0.931 84 K CA -0.775 55.592 56.287 0.133 0.000 0.794 84 K CB 2.962 35.544 32.500 0.135 0.000 1.181 84 K HN 0.624 nan 8.250 nan 0.000 0.425 85 L N 1.052 122.335 121.223 0.101 0.000 2.275 85 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 85 L C 2.063 178.966 176.870 0.056 0.000 1.119 85 L CA 1.320 56.201 54.840 0.069 0.000 0.790 85 L CB -0.272 41.780 42.059 -0.011 0.000 0.919 85 L HN 0.728 nan 8.230 nan 0.000 0.443 86 S N -2.494 113.248 115.700 0.071 0.000 2.522 86 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 86 S C 0.613 175.277 174.600 0.107 0.000 0.986 86 S CA -0.131 58.107 58.200 0.064 0.000 0.929 86 S CB -0.377 62.858 63.200 0.059 0.000 0.769 86 S HN 0.232 nan 8.310 nan 0.000 0.529 87 D N 3.868 124.370 120.400 0.170 0.000 2.382 87 D HA 0.335 4.975 4.640 -0.000 0.000 0.245 87 D C -2.582 173.857 176.300 0.230 0.000 1.120 87 D CA -1.653 52.473 54.000 0.210 0.000 0.890 87 D CB 0.658 41.672 40.800 0.356 0.000 1.201 87 D HN 0.152 nan 8.370 nan 0.000 0.433 88 P HA 0.025 nan 4.420 nan 0.000 0.269 88 P C 0.783 178.234 177.300 0.252 0.000 1.209 88 P CA -0.050 63.171 63.100 0.200 0.000 0.776 88 P CB 0.509 32.292 31.700 0.137 0.000 0.876 89 T N 0.635 115.368 114.554 0.299 0.000 2.737 89 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 89 T C 1.466 176.295 174.700 0.215 0.000 1.040 89 T CA 2.008 64.286 62.100 0.296 0.000 1.142 89 T CB -0.867 68.183 68.868 0.303 0.000 0.861 89 T HN 0.486 nan 8.240 nan 0.000 0.456 90 T N 1.326 115.960 114.554 0.133 0.000 3.035 90 T HA 0.008 4.358 4.350 -0.000 0.000 0.268 90 T C 1.811 176.514 174.700 0.005 0.000 1.109 90 T CA 0.699 62.829 62.100 0.050 0.000 1.119 90 T CB -0.078 68.806 68.868 0.026 0.000 0.900 90 T HN 0.433 nan 8.240 nan 0.000 0.503 91 K N 0.481 120.837 120.400 -0.075 0.000 2.063 91 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 91 K C 1.170 177.535 176.600 -0.391 0.000 1.048 91 K CA 1.517 57.606 56.287 -0.330 0.000 0.928 91 K CB -0.111 32.000 32.500 -0.648 0.000 0.713 91 K HN 0.459 nan 8.250 nan 0.000 0.442 92 Y N -2.704 117.629 120.300 0.055 0.000 2.462 92 Y HA 0.089 4.639 4.550 -0.000 0.000 0.261 92 Y C 0.340 176.286 175.900 0.075 0.000 1.146 92 Y CA -0.574 57.543 58.100 0.027 0.000 1.283 92 Y CB 0.513 38.961 38.460 -0.020 0.000 1.090 92 Y HN 0.128 nan 8.280 nan 0.000 0.526 93 W N 3.663 124.958 121.300 -0.008 0.000 2.237 93 W HA 0.394 5.054 4.660 -0.000 0.000 0.289 93 W C -2.422 174.042 176.519 -0.092 0.000 0.988 93 W CA -3.613 53.687 57.345 -0.075 0.000 1.671 93 W CB 0.997 30.363 29.460 -0.157 0.000 1.746 93 W HN -0.133 nan 8.180 nan 0.000 0.380 94 P HA -0.171 nan 4.420 nan 0.000 0.222 94 P C 1.025 178.298 177.300 -0.045 0.000 1.147 94 P CA 1.598 64.718 63.100 0.033 0.000 0.790 94 P CB 0.377 32.097 31.700 0.032 0.000 0.780 95 E N -0.713 119.455 120.200 -0.054 0.000 2.347 95 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 95 E C 0.509 176.844 176.600 -0.443 0.000 1.008 95 E CA 0.136 56.423 56.400 -0.187 0.000 0.852 95 E CB -0.242 29.409 29.700 -0.082 0.000 0.783 95 E HN 0.159 nan 8.360 nan 0.000 0.505 96 L N 1.908 122.730 121.223 -0.669 0.000 2.395 96 L HA 0.031 4.371 4.340 -0.000 0.000 0.268 96 L C 1.065 177.715 176.870 -0.366 0.000 1.223 96 L CA 0.472 54.854 54.840 -0.764 0.000 1.093 96 L CB 0.100 41.494 42.059 -1.108 0.000 1.349 96 L HN -0.105 nan 8.230 nan 0.000 0.427 97 T N -0.473 113.950 114.554 -0.218 0.000 3.040 97 T HA 0.396 4.746 4.350 -0.000 0.000 0.250 97 T C 0.864 175.576 174.700 0.020 0.000 1.058 97 T CA 0.215 62.272 62.100 -0.072 0.000 0.988 97 T CB 0.083 68.915 68.868 -0.061 0.000 0.993 97 T HN 0.495 nan 8.240 nan 0.000 0.519 98 A N 2.661 125.521 122.820 0.067 0.000 2.498 98 A HA 0.357 4.677 4.320 -0.000 0.000 0.239 98 A C 1.612 179.327 177.584 0.219 0.000 1.068 98 A CA -0.289 51.840 52.037 0.153 0.000 0.766 98 A CB 0.339 19.464 19.000 0.209 0.000 1.003 98 A HN 0.595 nan 8.150 nan 0.000 0.497 99 K N 1.589 122.060 120.400 0.117 0.000 2.283 99 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 99 K C 1.361 178.003 176.600 0.070 0.000 1.048 99 K CA 1.392 57.729 56.287 0.084 0.000 0.948 99 K CB -0.046 32.473 32.500 0.032 0.000 0.742 99 K HN 0.818 nan 8.250 nan 0.000 0.458 100 Q N 0.442 120.257 119.800 0.024 0.000 2.364 100 Q HA -0.152 4.188 4.340 -0.000 0.000 0.207 100 Q C 0.864 176.772 176.000 -0.154 0.000 0.970 100 Q CA 1.093 56.815 55.803 -0.134 0.000 0.888 100 Q CB -0.459 28.089 28.738 -0.315 0.000 0.951 100 Q HN 0.571 nan 8.270 nan 0.000 0.469 101 W N 1.693 123.055 121.300 0.103 0.000 2.905 101 W HA 0.154 4.814 4.660 -0.000 0.000 0.251 101 W C 0.050 176.639 176.519 0.116 0.000 1.305 101 W CA -0.490 56.940 57.345 0.141 0.000 1.465 101 W CB -0.041 29.483 29.460 0.105 0.000 1.122 101 W HN 0.065 nan 8.180 nan 0.000 0.659 102 N N 0.513 119.350 118.700 0.229 0.000 2.414 102 N HA 0.272 5.012 4.740 -0.000 0.000 0.268 102 N C 1.020 176.625 175.510 0.158 0.000 1.286 102 N CA 1.849 55.000 53.050 0.168 0.000 0.896 102 N CB 0.381 38.933 38.487 0.108 0.000 1.093 102 N HN 0.193 nan 8.380 nan 0.000 0.480 103 G N 2.109 111.023 108.800 0.190 0.000 2.176 103 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.253 103 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.253 103 G C 0.104 175.187 174.900 0.305 0.000 0.979 103 G CA -0.375 44.852 45.100 0.212 0.000 0.641 103 G HN 0.536 nan 8.290 nan 0.000 0.530 104 I N 2.792 123.562 120.570 0.333 0.000 2.312 104 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 104 I C 1.178 177.589 176.117 0.490 0.000 1.031 104 I CA 0.184 61.759 61.300 0.458 0.000 1.293 104 I CB 0.987 39.209 38.000 0.371 0.000 1.403 104 I HN 0.302 nan 8.210 nan 0.000 0.484 105 T N 3.008 117.867 114.554 0.508 0.000 2.937 105 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 105 T C 1.221 176.055 174.700 0.223 0.000 1.012 105 T CA -0.881 61.368 62.100 0.249 0.000 0.997 105 T CB 1.515 70.405 68.868 0.037 0.000 1.136 105 T HN 0.407 nan 8.240 nan 0.000 0.551 106 L N 0.250 121.596 121.223 0.204 0.000 2.083 106 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 106 L C 2.558 179.464 176.870 0.060 0.000 1.083 106 L CA 0.957 55.936 54.840 0.232 0.000 0.752 106 L CB -0.794 41.428 42.059 0.272 0.000 0.899 106 L HN 0.605 nan 8.230 nan 0.000 0.433 107 L N -0.231 120.958 121.223 -0.057 0.000 2.012 107 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 107 L C 2.407 179.238 176.870 -0.065 0.000 1.073 107 L CA 1.983 56.715 54.840 -0.180 0.000 0.748 107 L CB -0.664 41.284 42.059 -0.184 0.000 0.891 107 L HN 0.237 nan 8.230 nan 0.000 0.431 108 H N -1.079 118.063 119.070 0.119 0.000 2.319 108 H HA -0.172 4.384 4.556 0.000 0.000 0.299 108 H C 2.248 177.589 175.328 0.022 0.000 1.092 108 H CA 1.719 57.833 56.048 0.110 0.000 1.302 108 H CB -0.196 29.656 29.762 0.150 0.000 1.373 108 H HN 0.325 nan 8.280 nan 0.000 0.497 109 L N 0.170 121.496 121.223 0.171 0.000 2.017 109 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 109 L C 2.890 179.702 176.870 -0.096 0.000 1.073 109 L CA 0.899 55.804 54.840 0.108 0.000 0.745 109 L CB -0.571 41.618 42.059 0.217 0.000 0.894 109 L HN 0.357 nan 8.230 nan 0.000 0.432 110 A N -0.181 122.410 122.820 -0.381 0.000 1.978 110 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 110 A C 2.113 179.293 177.584 -0.673 0.000 1.170 110 A CA 2.225 53.780 52.037 -0.804 0.000 0.636 110 A CB -0.735 17.428 19.000 -1.395 0.000 0.810 110 A HN 0.542 nan 8.150 nan 0.000 0.448 111 T N -6.428 107.838 114.554 -0.480 0.000 3.129 111 T HA 0.332 4.682 4.350 -0.000 0.000 0.267 111 T C 0.183 174.657 174.700 -0.377 0.000 1.018 111 T CA 0.201 62.039 62.100 -0.436 0.000 0.903 111 T CB -0.497 68.402 68.868 0.052 0.000 1.067 111 T HN 0.698 nan 8.240 nan 0.000 0.549 112 Y N 1.036 121.319 120.300 -0.027 0.000 3.929 112 Y HA -0.251 4.300 4.550 0.000 0.000 0.225 112 Y C 1.162 177.018 175.900 -0.072 0.000 1.200 112 Y CA 0.492 58.574 58.100 -0.031 0.000 1.791 112 Y CB -3.184 35.272 38.460 -0.008 0.000 1.561 112 Y HN 0.612 nan 8.280 nan 0.000 0.657 113 T N -4.654 109.891 114.554 -0.015 0.000 3.182 113 T HA 0.689 5.038 4.350 -0.000 0.000 0.277 113 T C 1.462 176.115 174.700 -0.078 0.000 1.013 113 T CA 0.166 62.168 62.100 -0.163 0.000 0.900 113 T CB 0.559 69.078 68.868 -0.580 0.000 1.098 113 T HN 0.493 nan 8.240 nan 0.000 0.543 114 A N 1.434 124.277 122.820 0.039 0.000 2.067 114 A HA 0.553 4.873 4.320 -0.000 0.000 0.219 114 A C 1.892 179.543 177.584 0.112 0.000 1.158 114 A CA 0.742 52.793 52.037 0.023 0.000 0.661 114 A CB -0.824 18.189 19.000 0.021 0.000 0.801 114 A HN 1.511 nan 8.150 nan 0.000 0.452 115 G N -3.128 105.816 108.800 0.240 0.000 2.245 115 G HA2 0.417 4.377 3.960 -0.000 0.000 0.116 115 G HA3 0.417 4.377 3.960 -0.000 0.000 0.116 115 G C 0.967 176.200 174.900 0.554 0.000 1.054 115 G CA 0.330 45.675 45.100 0.409 0.000 0.728 115 G HN 1.982 nan 8.290 nan 0.000 0.483 116 G N -0.767 108.379 108.800 0.577 0.000 2.167 116 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.194 116 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.194 116 G C 0.468 175.640 174.900 0.454 0.000 1.027 116 G CA -0.003 45.388 45.100 0.485 0.000 0.717 116 G HN 1.299 nan 8.290 nan 0.000 0.501 117 L N 1.614 122.965 121.223 0.212 0.000 2.559 117 L HA 0.208 4.548 4.340 -0.000 0.000 0.282 117 L C -0.832 176.100 176.870 0.103 0.000 1.232 117 L CA -1.015 53.744 54.840 -0.134 0.000 0.885 117 L CB 0.336 42.225 42.059 -0.284 0.000 1.131 117 L HN 0.128 nan 8.230 nan 0.000 0.498 118 P HA -0.015 nan 4.420 nan 0.000 0.274 118 P C 0.548 177.915 177.300 0.111 0.000 1.231 118 P CA -0.583 62.618 63.100 0.168 0.000 0.790 118 P CB 1.116 32.949 31.700 0.222 0.000 0.951 119 L N 1.594 122.873 121.223 0.092 0.000 2.034 119 L HA -0.183 4.157 4.340 -0.000 0.000 0.217 119 L C 0.860 177.753 176.870 0.038 0.000 1.077 119 L CA 2.148 57.022 54.840 0.057 0.000 0.769 119 L CB -0.798 41.308 42.059 0.079 0.000 0.890 119 L HN 0.483 nan 8.230 nan 0.000 0.435 120 Q N -1.569 118.254 119.800 0.039 0.000 2.394 120 Q HA 0.455 4.795 4.340 -0.000 0.000 0.273 120 Q C -1.055 174.923 176.000 -0.038 0.000 1.089 120 Q CA -1.026 54.785 55.803 0.012 0.000 0.812 120 Q CB 2.673 31.404 28.738 -0.012 0.000 1.353 120 Q HN -0.084 nan 8.270 nan 0.000 0.438 121 V N 3.471 123.329 119.914 -0.094 0.000 2.572 121 V HA 0.105 4.225 4.120 -0.000 0.000 0.291 121 V C -2.061 173.856 176.094 -0.296 0.000 1.039 121 V CA -1.127 60.961 62.300 -0.352 0.000 1.055 121 V CB 0.208 31.854 31.823 -0.295 0.000 0.969 121 V HN 0.658 nan 8.190 nan 0.000 0.482 122 P HA -0.028 nan 4.420 nan 0.000 0.263 122 P C 0.511 177.717 177.300 -0.156 0.000 1.175 122 P CA 0.267 63.242 63.100 -0.207 0.000 0.761 122 P CB 0.467 32.048 31.700 -0.197 0.000 0.794 123 D N 1.896 122.250 120.400 -0.077 0.000 2.264 123 D HA -0.159 4.481 4.640 -0.000 0.000 0.208 123 D C 1.108 177.387 176.300 -0.035 0.000 0.966 123 D CA 1.275 55.250 54.000 -0.041 0.000 0.864 123 D CB 0.075 40.866 40.800 -0.015 0.000 0.933 123 D HN 0.317 nan 8.370 nan 0.000 0.499 124 E N -0.596 119.580 120.200 -0.040 0.000 2.274 124 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 124 E C 0.198 176.782 176.600 -0.028 0.000 0.996 124 E CA 0.124 56.511 56.400 -0.022 0.000 0.840 124 E CB 0.225 29.919 29.700 -0.010 0.000 0.772 124 E HN 0.104 nan 8.360 nan 0.000 0.491 125 V N 1.913 121.785 119.914 -0.070 0.000 2.446 125 V HA 0.011 4.131 4.120 -0.000 0.000 0.276 125 V C 1.063 177.137 176.094 -0.034 0.000 1.030 125 V CA 0.590 62.851 62.300 -0.065 0.000 1.033 125 V CB 1.062 32.779 31.823 -0.178 0.000 0.993 125 V HN 0.145 nan 8.190 nan 0.000 0.477 126 K N 3.700 124.101 120.400 0.001 0.000 2.524 126 K HA 0.167 4.487 4.320 -0.000 0.000 0.210 126 K C 1.136 177.748 176.600 0.020 0.000 1.340 126 K CA 0.449 56.741 56.287 0.007 0.000 0.880 126 K CB 0.546 33.052 32.500 0.011 0.000 1.616 126 K HN 0.693 nan 8.250 nan 0.000 0.457 127 S N 0.158 115.878 115.700 0.033 0.000 2.600 127 S HA 0.110 4.580 4.470 -0.000 0.000 0.265 127 S C 0.931 175.572 174.600 0.068 0.000 1.325 127 S CA -0.172 58.053 58.200 0.041 0.000 1.002 127 S CB 1.531 64.758 63.200 0.044 0.000 0.921 127 S HN 0.279 nan 8.310 nan 0.000 0.554 128 S N 1.177 116.915 115.700 0.064 0.000 2.383 128 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 128 S C 2.122 176.824 174.600 0.169 0.000 1.030 128 S CA 1.515 59.774 58.200 0.098 0.000 1.002 128 S CB -0.783 62.454 63.200 0.063 0.000 0.829 128 S HN 0.810 nan 8.310 nan 0.000 0.467 129 S N 1.142 116.919 115.700 0.128 0.000 2.368 129 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 129 S C 1.494 176.180 174.600 0.144 0.000 1.030 129 S CA 1.413 59.691 58.200 0.130 0.000 0.999 129 S CB -0.525 62.727 63.200 0.087 0.000 0.844 129 S HN 0.419 nan 8.310 nan 0.000 0.459 130 D N 0.962 121.437 120.400 0.126 0.000 2.123 130 D HA -0.076 4.564 4.640 -0.000 0.000 0.196 130 D C 1.872 178.294 176.300 0.204 0.000 0.992 130 D CA 0.763 54.840 54.000 0.129 0.000 0.833 130 D CB -0.503 40.346 40.800 0.082 0.000 0.954 130 D HN 0.313 nan 8.370 nan 0.000 0.455 131 L N 0.513 121.887 121.223 0.251 0.000 2.027 131 L HA -0.095 4.244 4.340 -0.000 0.000 0.206 131 L C 2.167 179.398 176.870 0.602 0.000 1.074 131 L CA 1.080 56.168 54.840 0.413 0.000 0.745 131 L CB -0.709 41.578 42.059 0.380 0.000 0.898 131 L HN 0.011 nan 8.230 nan 0.000 0.433 132 L N -0.324 121.210 121.223 0.517 0.000 2.012 132 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 132 L C 2.699 179.645 176.870 0.125 0.000 1.073 132 L CA 1.868 56.868 54.840 0.265 0.000 0.748 132 L CB -0.802 41.371 42.059 0.190 0.000 0.891 132 L HN 0.290 nan 8.230 nan 0.000 0.431 133 R N -1.480 119.117 120.500 0.163 0.000 2.083 133 R HA -0.242 4.098 4.340 -0.000 0.000 0.237 133 R C 2.391 178.788 176.300 0.162 0.000 1.137 133 R CA 2.026 58.202 56.100 0.127 0.000 0.951 133 R CB -0.667 29.708 30.300 0.125 0.000 0.851 133 R HN 0.460 nan 8.270 nan 0.000 0.434 134 F N 0.562 120.549 119.950 0.062 0.000 2.065 134 F HA -0.282 4.245 4.527 -0.000 0.000 0.298 134 F C 1.659 177.478 175.800 0.033 0.000 1.112 134 F CA 1.677 59.673 58.000 -0.007 0.000 1.212 134 F CB -0.766 38.157 39.000 -0.128 0.000 0.975 134 F HN 0.023 nan 8.300 nan 0.000 0.476 135 Y N 0.430 120.712 120.300 -0.031 0.000 2.242 135 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 135 Y C 2.639 178.662 175.900 0.204 0.000 1.137 135 Y CA 1.537 59.643 58.100 0.010 0.000 1.181 135 Y CB -0.938 37.493 38.460 -0.048 0.000 0.989 135 Y HN 0.144 nan 8.280 nan 0.000 0.527 136 Q N 0.085 119.970 119.800 0.141 0.000 2.170 136 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 136 Q C 1.237 177.339 176.000 0.170 0.000 0.976 136 Q CA 1.416 57.298 55.803 0.131 0.000 0.858 136 Q CB -0.484 28.250 28.738 -0.007 0.000 0.907 136 Q HN 0.678 nan 8.270 nan 0.000 0.433 137 N N -0.978 117.789 118.700 0.111 0.000 2.373 137 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 137 N C -0.086 175.440 175.510 0.027 0.000 1.082 137 N CA -0.413 52.669 53.050 0.054 0.000 0.885 137 N CB 0.217 38.730 38.487 0.042 0.000 0.977 137 N HN 0.161 nan 8.380 nan 0.000 0.462 138 W N 2.944 124.151 121.300 -0.155 0.000 2.251 138 W HA 0.082 4.742 4.660 -0.000 0.000 0.327 138 W C -0.631 175.778 176.519 -0.183 0.000 1.361 138 W CA -0.022 57.182 57.345 -0.235 0.000 1.234 138 W CB 0.572 29.828 29.460 -0.341 0.000 1.212 138 W HN -0.074 nan 8.180 nan 0.000 0.557 139 Q N 8.216 127.411 119.800 -1.009 0.000 2.331 139 Q HA 0.333 4.673 4.340 -0.000 0.000 0.267 139 Q C -2.125 172.975 176.000 -1.501 0.000 1.006 139 Q CA -2.124 53.044 55.803 -1.057 0.000 0.818 139 Q CB 1.415 29.828 28.738 -0.542 0.000 1.276 139 Q HN 0.386 nan 8.270 nan 0.000 0.450 140 P HA 0.106 nan 4.420 nan 0.000 0.271 140 P C -0.120 176.779 177.300 -0.668 0.000 1.218 140 P CA 0.013 62.441 63.100 -1.121 0.000 0.780 140 P CB 0.931 32.171 31.700 -0.767 0.000 0.901 141 A N 2.825 125.254 122.820 -0.652 0.000 2.016 141 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 141 A C 0.418 177.335 177.584 -1.113 0.000 1.162 141 A CA 0.780 52.186 52.037 -1.051 0.000 0.662 141 A CB -0.290 17.653 19.000 -1.761 0.000 0.812 141 A HN 0.593 nan 8.150 nan 0.000 0.450 142 W N -3.011 118.240 121.300 -0.082 0.000 3.042 142 W HA 0.636 5.296 4.660 0.000 0.000 0.342 142 W C -0.023 176.442 176.519 -0.091 0.000 1.240 142 W CA -1.237 56.064 57.345 -0.073 0.000 1.166 142 W CB 0.917 30.348 29.460 -0.048 0.000 1.469 142 W HN 0.127 nan 8.180 nan 0.000 0.579 143 A N 2.273 125.189 122.820 0.161 0.000 2.406 143 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 143 A C -2.240 175.355 177.584 0.019 0.000 1.082 143 A CA -0.834 51.233 52.037 0.050 0.000 0.786 143 A CB -0.749 18.276 19.000 0.042 0.000 1.029 143 A HN 0.135 nan 8.150 nan 0.000 0.495 144 P HA 0.285 nan 4.420 nan 0.000 0.268 144 P C 0.771 177.927 177.300 -0.240 0.000 1.205 144 P CA 1.645 64.572 63.100 -0.288 0.000 0.771 144 P CB 0.539 32.005 31.700 -0.391 0.000 0.858 145 G N 1.779 110.386 108.800 -0.321 0.000 2.176 145 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 145 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 145 G C 0.653 175.519 174.900 -0.057 0.000 1.024 145 G CA 0.701 45.795 45.100 -0.010 0.000 0.755 145 G HN 0.676 nan 8.290 nan 0.000 0.507 146 T N -4.969 109.496 114.554 -0.148 0.000 3.019 146 T HA 0.432 4.782 4.350 -0.000 0.000 0.247 146 T C 0.578 175.123 174.700 -0.259 0.000 0.992 146 T CA 0.820 62.847 62.100 -0.122 0.000 1.036 146 T CB 0.618 69.455 68.868 -0.052 0.000 1.063 146 T HN 0.289 nan 8.240 nan 0.000 0.476 147 Q N 0.916 120.509 119.800 -0.346 0.000 2.347 147 Q HA 0.474 4.814 4.340 -0.000 0.000 0.271 147 Q C -1.349 174.434 176.000 -0.362 0.000 1.064 147 Q CA -0.519 54.992 55.803 -0.487 0.000 0.800 147 Q CB 3.131 31.247 28.738 -1.035 0.000 1.304 147 Q HN 0.364 nan 8.270 nan 0.000 0.438 148 R N 2.189 122.511 120.500 -0.297 0.000 2.221 148 R HA 0.485 4.825 4.340 -0.000 0.000 0.327 148 R C -1.127 175.137 176.300 -0.060 0.000 1.033 148 R CA -0.511 55.506 56.100 -0.138 0.000 0.887 148 R CB 0.403 30.660 30.300 -0.071 0.000 1.057 148 R HN 0.451 nan 8.270 nan 0.000 0.455 149 L N 6.142 127.403 121.223 0.063 0.000 2.415 149 L HA 0.256 4.596 4.340 -0.000 0.000 0.268 149 L C -1.363 175.545 176.870 0.063 0.000 0.984 149 L CA -0.720 54.186 54.840 0.110 0.000 0.853 149 L CB 0.993 43.212 42.059 0.266 0.000 1.215 149 L HN 0.597 nan 8.230 nan 0.000 0.419 150 Y N 4.880 125.051 120.300 -0.214 0.000 2.805 150 Y HA 0.369 4.919 4.550 -0.000 0.000 0.331 150 Y C 0.029 175.732 175.900 -0.328 0.000 1.241 150 Y CA 0.926 58.666 58.100 -0.601 0.000 1.546 150 Y CB 0.450 38.632 38.460 -0.465 0.000 1.248 150 Y HN 0.816 nan 8.280 nan 0.000 0.559 151 A N 5.585 127.918 122.820 -0.811 0.000 2.480 151 A HA 0.283 4.603 4.320 -0.000 0.000 0.289 151 A C -0.093 177.373 177.584 -0.197 0.000 1.044 151 A CA -0.903 50.966 52.037 -0.280 0.000 0.761 151 A CB 0.719 19.716 19.000 -0.005 0.000 1.289 151 A HN 0.787 nan 8.150 nan 0.000 0.401 152 N N 1.145 119.775 118.700 -0.116 0.000 2.223 152 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 152 N C 2.015 177.588 175.510 0.105 0.000 1.016 152 N CA 1.989 55.057 53.050 0.029 0.000 0.863 152 N CB -0.069 38.492 38.487 0.124 0.000 0.983 152 N HN 0.829 nan 8.380 nan 0.000 0.429 153 S N -1.336 114.442 115.700 0.131 0.000 2.481 153 S HA 0.069 4.539 4.470 -0.000 0.000 0.231 153 S C 1.988 176.762 174.600 0.289 0.000 0.996 153 S CA 0.816 59.164 58.200 0.247 0.000 0.942 153 S CB -0.028 63.334 63.200 0.270 0.000 0.768 153 S HN 0.182 nan 8.310 nan 0.000 0.520 154 S N 1.244 117.061 115.700 0.195 0.000 2.324 154 S HA 0.246 4.716 4.470 -0.000 0.000 0.210 154 S C 1.637 176.332 174.600 0.159 0.000 1.027 154 S CA 0.555 58.865 58.200 0.183 0.000 0.945 154 S CB -0.565 62.758 63.200 0.206 0.000 0.908 154 S HN 0.571 nan 8.310 nan 0.000 0.496 155 I N 1.201 121.862 120.570 0.152 0.000 2.493 155 I HA 0.007 4.177 4.170 -0.000 0.000 0.254 155 I C 2.084 178.282 176.117 0.136 0.000 1.160 155 I CA 1.050 62.423 61.300 0.121 0.000 1.445 155 I CB -0.586 37.460 38.000 0.077 0.000 1.086 155 I HN 0.481 nan 8.210 nan 0.000 0.433 156 G N 1.061 109.910 108.800 0.082 0.000 2.421 156 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 156 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 156 G C 1.526 176.391 174.900 -0.060 0.000 1.171 156 G CA 0.855 45.942 45.100 -0.022 0.000 0.775 156 G HN 0.378 nan 8.290 nan 0.000 0.543 157 L N -0.215 121.019 121.223 0.018 0.000 2.056 157 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 157 L C 2.449 179.279 176.870 -0.067 0.000 1.078 157 L CA 1.549 56.335 54.840 -0.089 0.000 0.749 157 L CB -0.770 41.186 42.059 -0.171 0.000 0.901 157 L HN 0.232 nan 8.230 nan 0.000 0.433 158 F N 0.510 120.405 119.950 -0.092 0.000 2.087 158 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 158 F C 2.181 177.923 175.800 -0.096 0.000 1.100 158 F CA 2.023 59.971 58.000 -0.088 0.000 1.226 158 F CB -1.084 37.876 39.000 -0.068 0.000 0.983 158 F HN 0.134 nan 8.300 nan 0.000 0.479 159 G N -0.428 108.282 108.800 -0.150 0.000 2.446 159 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 159 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 159 G C 1.818 176.601 174.900 -0.194 0.000 1.168 159 G CA 1.087 46.089 45.100 -0.164 0.000 0.771 159 G HN 0.688 nan 8.290 nan 0.000 0.551 160 A N 0.478 123.120 122.820 -0.296 0.000 1.902 160 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 160 A C 2.444 179.860 177.584 -0.280 0.000 1.181 160 A CA 1.317 53.187 52.037 -0.278 0.000 0.623 160 A CB -0.368 18.425 19.000 -0.346 0.000 0.818 160 A HN 0.358 nan 8.150 nan 0.000 0.443 161 L N -0.953 120.072 121.223 -0.330 0.000 2.156 161 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 161 L C 3.006 179.629 176.870 -0.411 0.000 1.095 161 L CA 0.841 55.491 54.840 -0.317 0.000 0.770 161 L CB -0.608 41.312 42.059 -0.231 0.000 0.914 161 L HN 0.417 nan 8.230 nan 0.000 0.439 162 A N 0.385 122.876 122.820 -0.548 0.000 1.972 162 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 162 A C 2.168 179.536 177.584 -0.360 0.000 1.169 162 A CA 1.837 53.510 52.037 -0.606 0.000 0.635 162 A CB -0.684 17.805 19.000 -0.852 0.000 0.810 162 A HN 0.352 nan 8.150 nan 0.000 0.446 163 V N -4.015 115.751 119.914 -0.246 0.000 3.608 163 V HA 0.063 4.183 4.120 -0.000 0.000 0.269 163 V C 1.724 177.737 176.094 -0.135 0.000 1.245 163 V CA 0.909 63.105 62.300 -0.173 0.000 1.138 163 V CB -0.415 31.330 31.823 -0.130 0.000 0.841 163 V HN 0.204 nan 8.190 nan 0.000 0.451 164 K N 1.636 121.954 120.400 -0.137 0.000 2.009 164 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 164 K C 0.308 176.888 176.600 -0.033 0.000 1.049 164 K CA 2.108 58.348 56.287 -0.079 0.000 0.929 164 K CB -1.979 30.491 32.500 -0.049 0.000 0.714 164 K HN 0.470 nan 8.250 nan 0.000 0.440 165 P HA -0.122 nan 4.420 nan 0.000 0.218 165 P C 1.416 178.704 177.300 -0.019 0.000 1.148 165 P CA 1.562 64.674 63.100 0.019 0.000 0.822 165 P CB -0.103 31.630 31.700 0.054 0.000 0.784 166 S N -1.477 114.192 115.700 -0.051 0.000 2.447 166 S HA 0.037 4.507 4.470 -0.000 0.000 0.233 166 S C 1.944 176.510 174.600 -0.056 0.000 1.006 166 S CA 1.054 59.218 58.200 -0.060 0.000 0.957 166 S CB -1.541 61.605 63.200 -0.090 0.000 0.773 166 S HN 0.309 nan 8.310 nan 0.000 0.507 167 G N 0.753 109.521 108.800 -0.053 0.000 2.220 167 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.269 167 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.269 167 G C 0.047 174.911 174.900 -0.060 0.000 0.977 167 G CA 0.635 45.705 45.100 -0.050 0.000 0.634 167 G HN 0.598 nan 8.290 nan 0.000 0.539 168 L N 1.771 122.948 121.223 -0.077 0.000 2.418 168 L HA 0.522 4.862 4.340 -0.000 0.000 0.265 168 L C 1.571 178.390 176.870 -0.085 0.000 1.143 168 L CA -0.170 54.617 54.840 -0.088 0.000 0.809 168 L CB 1.099 43.088 42.059 -0.117 0.000 1.124 168 L HN 0.413 nan 8.230 nan 0.000 0.456 169 S N 0.752 116.408 115.700 -0.073 0.000 2.576 169 S HA -0.029 4.441 4.470 -0.000 0.000 0.272 169 S C 0.842 175.408 174.600 -0.056 0.000 1.352 169 S CA -0.307 57.864 58.200 -0.048 0.000 1.021 169 S CB 0.336 63.515 63.200 -0.035 0.000 0.887 169 S HN 0.552 nan 8.310 nan 0.000 0.542 170 F N 1.177 121.036 119.950 -0.152 0.000 2.126 170 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 170 F C 2.509 178.197 175.800 -0.188 0.000 1.096 170 F CA 2.186 60.080 58.000 -0.176 0.000 1.255 170 F CB -0.404 38.490 39.000 -0.176 0.000 0.997 170 F HN 0.941 nan 8.300 nan 0.000 0.479 171 E N -0.542 119.641 120.200 -0.028 0.000 2.077 171 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 171 E C 2.157 178.612 176.600 -0.241 0.000 0.989 171 E CA 1.304 57.632 56.400 -0.120 0.000 0.800 171 E CB -0.104 29.597 29.700 0.002 0.000 0.746 171 E HN 0.392 nan 8.360 nan 0.000 0.452 172 Q N -0.025 119.666 119.800 -0.181 0.000 2.119 172 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 172 Q C 2.094 177.936 176.000 -0.263 0.000 0.972 172 Q CA 1.285 56.979 55.803 -0.183 0.000 0.847 172 Q CB -0.389 28.279 28.738 -0.117 0.000 0.903 172 Q HN 0.379 nan 8.270 nan 0.000 0.433 173 A N 0.709 123.341 122.820 -0.314 0.000 1.883 173 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 173 A C 2.163 179.459 177.584 -0.479 0.000 1.186 173 A CA 2.014 53.836 52.037 -0.360 0.000 0.624 173 A CB -0.510 18.262 19.000 -0.380 0.000 0.822 173 A HN 0.356 nan 8.150 nan 0.000 0.444 174 M N -0.229 118.952 119.600 -0.699 0.000 2.086 174 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 174 M C 2.193 177.900 176.300 -0.988 0.000 1.067 174 M CA 2.016 56.770 55.300 -0.911 0.000 1.116 174 M CB -0.597 31.311 32.600 -1.154 0.000 1.348 174 M HN 0.530 nan 8.290 nan 0.000 0.407 175 Q N -0.943 118.390 119.800 -0.779 0.000 2.030 175 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 175 Q C 1.932 177.747 176.000 -0.307 0.000 0.986 175 Q CA 2.525 58.031 55.803 -0.494 0.000 0.843 175 Q CB -0.626 27.946 28.738 -0.277 0.000 0.904 175 Q HN 0.775 nan 8.270 nan 0.000 0.420 176 T N -2.103 112.292 114.554 -0.264 0.000 3.014 176 T HA 0.043 4.393 4.350 -0.000 0.000 0.263 176 T C 1.662 176.271 174.700 -0.152 0.000 1.078 176 T CA 0.477 62.475 62.100 -0.170 0.000 1.135 176 T CB 0.072 68.855 68.868 -0.142 0.000 0.895 176 T HN 0.147 nan 8.240 nan 0.000 0.480 177 R N -0.161 120.219 120.500 -0.200 0.000 2.307 177 R HA 0.402 4.742 4.340 -0.000 0.000 0.200 177 R C 1.493 177.732 176.300 -0.101 0.000 0.893 177 R CA 0.189 56.203 56.100 -0.142 0.000 1.042 177 R CB 0.512 30.717 30.300 -0.158 0.000 1.059 177 R HN 0.280 nan 8.270 nan 0.000 0.530 178 V N -0.882 118.939 119.914 -0.155 0.000 3.054 178 V HA 0.038 4.158 4.120 -0.000 0.000 0.227 178 V C 1.378 177.545 176.094 0.122 0.000 1.252 178 V CA 0.503 62.795 62.300 -0.013 0.000 1.279 178 V CB -0.283 31.513 31.823 -0.044 0.000 1.118 178 V HN -0.025 nan 8.190 nan 0.000 0.504 179 F N 1.491 121.372 119.950 -0.116 0.000 2.075 179 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 179 F C 2.624 178.344 175.800 -0.134 0.000 1.113 179 F CA 1.450 59.348 58.000 -0.169 0.000 1.218 179 F CB -1.249 37.542 39.000 -0.348 0.000 0.984 179 F HN 0.184 nan 8.300 nan 0.000 0.472 180 Q N -0.144 119.683 119.800 0.045 0.000 2.020 180 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 180 Q C -0.293 175.709 176.000 0.004 0.000 0.982 180 Q CA 1.922 57.714 55.803 -0.018 0.000 0.838 180 Q CB -1.545 27.158 28.738 -0.058 0.000 0.899 180 Q HN 0.271 nan 8.270 nan 0.000 0.423 181 P HA -0.149 nan 4.420 nan 0.000 0.218 181 P C 0.681 178.010 177.300 0.048 0.000 1.148 181 P CA 1.204 64.317 63.100 0.022 0.000 0.822 181 P CB 0.031 31.744 31.700 0.022 0.000 0.784 182 L N -1.340 119.938 121.223 0.092 0.000 2.591 182 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 182 L C 0.398 177.319 176.870 0.086 0.000 1.133 182 L CA 0.128 55.039 54.840 0.118 0.000 0.880 182 L CB -0.696 41.501 42.059 0.231 0.000 1.033 182 L HN -0.028 nan 8.230 nan 0.000 0.450 183 K N 0.908 121.335 120.400 0.045 0.000 3.096 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 183 K C -0.327 176.274 176.600 0.001 0.000 1.043 183 K CA 0.371 56.664 56.287 0.010 0.000 0.758 183 K CB -1.790 30.720 32.500 0.015 0.000 1.260 183 K HN 0.334 nan 8.250 nan 0.000 0.481 184 L N 1.252 122.464 121.223 -0.019 0.000 2.375 184 L HA 0.135 4.475 4.340 -0.000 0.000 0.276 184 L C 0.972 177.690 176.870 -0.253 0.000 1.162 184 L CA -0.467 54.311 54.840 -0.104 0.000 0.991 184 L CB 0.156 42.120 42.059 -0.158 0.000 1.315 184 L HN 0.157 nan 8.230 nan 0.000 0.431 185 N N 0.446 119.019 118.700 -0.210 0.000 2.336 185 N HA 0.011 4.751 4.740 -0.000 0.000 0.189 185 N C 0.560 175.658 175.510 -0.686 0.000 1.113 185 N CA 0.489 53.306 53.050 -0.388 0.000 0.858 185 N CB 0.298 38.599 38.487 -0.310 0.000 0.970 185 N HN 0.516 nan 8.380 nan 0.000 0.471 186 H N -0.984 117.981 119.070 -0.175 0.000 2.651 186 H HA 0.269 4.825 4.556 -0.000 0.000 0.241 186 H C -0.393 174.811 175.328 -0.206 0.000 1.225 186 H CA -0.092 55.912 56.048 -0.074 0.000 0.942 186 H CB 0.416 30.174 29.762 -0.006 0.000 1.996 186 H HN -0.145 nan 8.280 nan 0.000 0.600 187 T N 0.959 115.180 114.554 -0.554 0.000 2.812 187 T HA 0.334 4.684 4.350 -0.000 0.000 0.282 187 T C -0.790 173.221 174.700 -1.148 0.000 0.990 187 T CA -0.431 61.171 62.100 -0.830 0.000 0.960 187 T CB 1.394 69.538 68.868 -1.207 0.000 0.948 187 T HN 0.242 nan 8.240 nan 0.000 0.438 188 W N 2.091 123.079 121.300 -0.521 0.000 3.138 188 W HA 0.522 5.182 4.660 0.000 0.000 0.331 188 W C 0.641 177.025 176.519 -0.225 0.000 1.166 188 W CA -0.814 56.361 57.345 -0.283 0.000 1.212 188 W CB 1.110 30.414 29.460 -0.261 0.000 1.399 188 W HN 0.512 nan 8.180 nan 0.000 0.514 189 I N 1.631 122.317 120.570 0.192 0.000 2.400 189 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 189 I C 0.432 176.570 176.117 0.034 0.000 1.109 189 I CA 0.959 62.309 61.300 0.084 0.000 1.425 189 I CB -0.070 37.994 38.000 0.106 0.000 1.094 189 I HN 0.286 nan 8.210 nan 0.000 0.425 190 N N 1.319 120.078 118.700 0.098 0.000 2.446 190 N HA 0.242 4.982 4.740 -0.000 0.000 0.265 190 N C -0.837 174.586 175.510 -0.146 0.000 0.975 190 N CA -0.236 52.797 53.050 -0.027 0.000 0.928 190 N CB 2.581 41.057 38.487 -0.019 0.000 1.160 190 N HN -0.193 nan 8.380 nan 0.000 0.495 191 V N 4.828 124.557 119.914 -0.307 0.000 2.446 191 V HA 0.128 4.248 4.120 -0.000 0.000 0.276 191 V C -1.465 174.289 176.094 -0.567 0.000 1.030 191 V CA -0.822 61.159 62.300 -0.532 0.000 1.033 191 V CB 0.219 31.687 31.823 -0.591 0.000 0.993 191 V HN 0.522 nan 8.190 nan 0.000 0.477 192 P HA 0.317 nan 4.420 nan 0.000 0.276 192 P C -2.318 174.749 177.300 -0.389 0.000 1.252 192 P CA -1.972 60.748 63.100 -0.633 0.000 0.802 192 P CB 0.655 31.827 31.700 -0.880 0.000 1.035 193 P HA -0.195 nan 4.420 nan 0.000 0.216 193 P C 1.462 178.685 177.300 -0.128 0.000 1.150 193 P CA 2.147 65.158 63.100 -0.148 0.000 0.843 193 P CB -0.519 31.117 31.700 -0.106 0.000 0.787 194 A N -0.185 122.546 122.820 -0.148 0.000 2.024 194 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 194 A C 2.001 179.538 177.584 -0.079 0.000 1.164 194 A CA 1.499 53.480 52.037 -0.094 0.000 0.643 194 A CB -0.776 18.177 19.000 -0.077 0.000 0.806 194 A HN 0.125 nan 8.150 nan 0.000 0.451 195 E N -0.572 119.539 120.200 -0.148 0.000 2.474 195 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 195 E C 1.340 177.897 176.600 -0.072 0.000 1.039 195 E CA 0.082 56.420 56.400 -0.104 0.000 0.881 195 E CB 0.007 29.594 29.700 -0.188 0.000 0.970 195 E HN 0.746 nan 8.360 nan 0.000 0.486 196 E N 1.306 121.466 120.200 -0.067 0.000 2.118 196 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 196 E C 1.926 178.547 176.600 0.035 0.000 0.992 196 E CA 1.302 57.703 56.400 0.000 0.000 0.804 196 E CB -0.117 29.581 29.700 -0.004 0.000 0.741 196 E HN 0.225 nan 8.360 nan 0.000 0.458 197 K N 0.367 120.783 120.400 0.026 0.000 2.442 197 K HA -0.064 4.256 4.320 -0.000 0.000 0.198 197 K C 1.169 177.797 176.600 0.047 0.000 1.042 197 K CA 1.127 57.439 56.287 0.042 0.000 0.958 197 K CB 0.126 32.646 32.500 0.033 0.000 0.766 197 K HN -0.014 nan 8.250 nan 0.000 0.474 198 N N -0.189 118.536 118.700 0.042 0.000 2.220 198 N HA -0.052 4.688 4.740 -0.000 0.000 0.195 198 N C -0.722 174.827 175.510 0.064 0.000 1.123 198 N CA -0.025 53.049 53.050 0.041 0.000 0.874 198 N CB 0.209 38.711 38.487 0.025 0.000 0.995 198 N HN 0.166 nan 8.380 nan 0.000 0.498 199 Y N 3.289 123.518 120.300 -0.119 0.000 2.584 199 Y HA 0.396 4.946 4.550 0.000 0.000 0.351 199 Y C 0.268 176.072 175.900 -0.161 0.000 1.030 199 Y CA -1.697 56.291 58.100 -0.186 0.000 1.332 199 Y CB -0.655 37.632 38.460 -0.289 0.000 1.148 199 Y HN -0.031 nan 8.280 nan 0.000 0.528 200 A N 6.044 128.908 122.820 0.074 0.000 2.466 200 A HA 0.120 4.440 4.320 -0.000 0.000 0.238 200 A C -0.544 177.034 177.584 -0.010 0.000 1.074 200 A CA -0.284 51.761 52.037 0.015 0.000 0.774 200 A CB 0.104 19.048 19.000 -0.094 0.000 1.015 200 A HN 0.872 nan 8.150 nan 0.000 0.498 201 W N 0.522 121.806 121.300 -0.027 0.000 2.316 201 W HA 0.485 5.145 4.660 0.000 0.000 0.321 201 W C 0.900 177.107 176.519 -0.521 0.000 1.203 201 W CA 0.476 57.605 57.345 -0.360 0.000 1.214 201 W CB 1.105 30.206 29.460 -0.598 0.000 1.169 201 W HN 0.932 nan 8.180 nan 0.000 0.561 202 G N 1.455 110.037 108.800 -0.364 0.000 2.448 202 G HA2 0.469 4.429 3.960 -0.000 0.000 0.285 202 G HA3 0.469 4.429 3.960 -0.000 0.000 0.285 202 G C -2.084 172.418 174.900 -0.663 0.000 1.176 202 G CA -0.455 44.168 45.100 -0.796 0.000 0.852 202 G HN 0.419 nan 8.290 nan 0.000 0.530 203 Y N -0.104 120.107 120.300 -0.148 0.000 2.338 203 Y HA 0.512 5.062 4.550 -0.000 0.000 0.333 203 Y C 0.485 176.376 175.900 -0.014 0.000 0.968 203 Y CA -0.794 57.277 58.100 -0.049 0.000 1.123 203 Y CB 2.224 40.663 38.460 -0.034 0.000 1.165 203 Y HN 0.470 nan 8.280 nan 0.000 0.452 204 R N 2.980 123.545 120.500 0.109 0.000 2.412 204 R HA 0.320 4.660 4.340 -0.000 0.000 0.304 204 R C -0.892 175.455 176.300 0.078 0.000 1.066 204 R CA -0.438 55.713 56.100 0.086 0.000 0.923 204 R CB 0.369 30.707 30.300 0.062 0.000 1.156 204 R HN 0.884 nan 8.270 nan 0.000 0.513 205 E N 2.565 122.812 120.200 0.078 0.000 2.246 205 E HA -0.241 4.109 4.350 -0.000 0.000 0.211 205 E C 0.684 177.319 176.600 0.058 0.000 1.278 205 E CA 0.846 57.279 56.400 0.055 0.000 0.694 205 E CB -1.172 28.550 29.700 0.038 0.000 1.166 205 E HN 1.166 nan 8.360 nan 0.000 0.370 206 G N 0.081 108.933 108.800 0.086 0.000 2.257 206 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.267 206 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.267 206 G C 0.350 175.337 174.900 0.147 0.000 0.984 206 G CA 0.800 45.949 45.100 0.083 0.000 0.626 206 G HN 0.371 nan 8.290 nan 0.000 0.540 207 K N 1.127 121.597 120.400 0.117 0.000 2.211 207 K HA 0.674 4.994 4.320 -0.000 0.000 0.275 207 K C 0.612 177.181 176.600 -0.051 0.000 1.024 207 K CA -0.026 56.280 56.287 0.031 0.000 0.887 207 K CB 0.885 33.377 32.500 -0.014 0.000 1.084 207 K HN 0.500 nan 8.250 nan 0.000 0.463 208 A N 3.841 126.522 122.820 -0.232 0.000 2.491 208 A HA 0.293 4.613 4.320 -0.000 0.000 0.261 208 A C -0.178 177.207 177.584 -0.330 0.000 1.101 208 A CA -0.335 51.340 52.037 -0.603 0.000 0.772 208 A CB -0.236 18.203 19.000 -0.935 0.000 1.043 208 A HN 0.554 nan 8.150 nan 0.000 0.501 209 V N 1.178 121.014 119.914 -0.130 0.000 3.007 209 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 209 V C -0.653 175.554 176.094 0.188 0.000 1.120 209 V CA -0.837 61.510 62.300 0.078 0.000 0.980 209 V CB 1.389 33.248 31.823 0.060 0.000 1.033 209 V HN 0.933 nan 8.190 nan 0.000 0.429 210 H N 0.627 119.835 119.070 0.230 0.000 2.747 210 H HA 0.662 5.218 4.556 0.000 0.000 0.371 210 H C -0.565 174.860 175.328 0.161 0.000 1.161 210 H CA -0.992 55.128 56.048 0.121 0.000 1.167 210 H CB 2.326 32.023 29.762 -0.108 0.000 1.732 210 H HN 0.803 nan 8.280 nan 0.000 0.544 211 V N 2.787 122.891 119.914 0.315 0.000 2.694 211 V HA -0.012 4.108 4.120 -0.000 0.000 0.306 211 V C -0.213 176.001 176.094 0.200 0.000 1.054 211 V CA 0.271 62.712 62.300 0.235 0.000 1.161 211 V CB 0.542 32.507 31.823 0.238 0.000 0.916 211 V HN 0.784 nan 8.190 nan 0.000 0.490 212 S N 8.437 124.239 115.700 0.170 0.000 2.601 212 S HA 0.447 4.917 4.470 -0.000 0.000 0.271 212 S C -2.292 172.395 174.600 0.145 0.000 1.305 212 S CA -0.818 57.465 58.200 0.139 0.000 1.022 212 S CB 0.751 64.016 63.200 0.107 0.000 0.940 212 S HN 0.879 nan 8.310 nan 0.000 0.525 213 P HA 0.348 nan 4.420 nan 0.000 0.266 213 P C -0.075 177.278 177.300 0.089 0.000 1.193 213 P CA -0.006 63.139 63.100 0.075 0.000 0.770 213 P CB 0.185 31.910 31.700 0.043 0.000 0.836 214 G N -0.121 108.724 108.800 0.075 0.000 2.673 214 G HA2 0.534 4.494 3.960 -0.000 0.000 0.292 214 G HA3 0.534 4.494 3.960 -0.000 0.000 0.292 214 G C -1.343 173.566 174.900 0.015 0.000 1.450 214 G CA -0.397 44.755 45.100 0.088 0.000 0.837 214 G HN 0.539 nan 8.290 nan 0.000 0.505 215 A N 0.506 123.328 122.820 0.004 0.000 2.520 215 A HA 0.539 4.859 4.320 -0.000 0.000 0.245 215 A C 1.370 178.920 177.584 -0.056 0.000 1.072 215 A CA 0.552 52.572 52.037 -0.028 0.000 0.761 215 A CB -0.478 18.505 19.000 -0.028 0.000 1.004 215 A HN 1.769 nan 8.150 nan 0.000 0.499 216 L N 0.673 121.822 121.223 -0.123 0.000 4.040 216 L HA -0.311 4.029 4.340 -0.000 0.000 0.410 216 L C 1.134 177.783 176.870 -0.368 0.000 1.187 216 L CA 0.616 55.330 54.840 -0.210 0.000 0.956 216 L CB -1.779 40.219 42.059 -0.101 0.000 2.022 216 L HN 0.995 nan 8.230 nan 0.000 0.897 217 D N 0.149 120.275 120.400 -0.457 0.000 2.117 217 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 217 D C 1.965 177.797 176.300 -0.780 0.000 0.982 217 D CA 1.397 54.814 54.000 -0.971 0.000 0.828 217 D CB -0.103 40.333 40.800 -0.607 0.000 0.967 217 D HN 0.439 nan 8.370 nan 0.000 0.464 218 A N 0.816 123.364 122.820 -0.452 0.000 1.908 218 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 218 A C 2.128 179.492 177.584 -0.368 0.000 1.181 218 A CA 1.965 53.824 52.037 -0.298 0.000 0.627 218 A CB -0.690 18.213 19.000 -0.162 0.000 0.818 218 A HN 0.218 nan 8.150 nan 0.000 0.445 219 E N -0.435 119.363 120.200 -0.670 0.000 2.152 219 E HA 0.120 4.470 4.350 -0.000 0.000 0.192 219 E C 2.000 178.443 176.600 -0.261 0.000 0.983 219 E CA 1.255 57.201 56.400 -0.757 0.000 0.818 219 E CB -0.225 28.967 29.700 -0.848 0.000 0.758 219 E HN 0.595 nan 8.360 nan 0.000 0.467 220 A N -0.390 122.285 122.820 -0.241 0.000 2.035 220 A HA 0.088 4.408 4.320 -0.000 0.000 0.208 220 A C 0.888 178.552 177.584 0.133 0.000 1.206 220 A CA 0.609 52.639 52.037 -0.011 0.000 0.773 220 A CB 0.001 19.059 19.000 0.097 0.000 0.878 220 A HN 0.417 nan 8.150 nan 0.000 0.469 221 Y N -4.260 116.051 120.300 0.018 0.000 2.954 221 Y HA 0.481 5.031 4.550 -0.000 0.000 0.267 221 Y C 0.948 176.860 175.900 0.020 0.000 1.093 221 Y CA -0.355 57.770 58.100 0.042 0.000 1.257 221 Y CB -0.376 38.117 38.460 0.054 0.000 1.317 221 Y HN -0.005 nan 8.280 nan 0.000 0.587 222 G N 0.761 109.494 108.800 -0.111 0.000 3.088 222 G HA2 0.308 4.268 3.960 -0.000 0.000 0.217 222 G HA3 0.308 4.268 3.960 -0.000 0.000 0.217 222 G C -0.170 174.692 174.900 -0.063 0.000 1.159 222 G CA 0.098 45.140 45.100 -0.096 0.000 0.760 222 G HN 0.117 nan 8.290 nan 0.000 0.550 223 V N 0.807 120.683 119.914 -0.064 0.000 2.530 223 V HA 0.351 4.471 4.120 -0.000 0.000 0.282 223 V C -0.244 175.738 176.094 -0.187 0.000 1.048 223 V CA -0.343 61.858 62.300 -0.166 0.000 0.997 223 V CB 1.277 32.906 31.823 -0.323 0.000 0.987 223 V HN 0.143 nan 8.190 nan 0.000 0.477 224 K N 2.764 123.014 120.400 -0.250 0.000 2.221 224 K HA 0.786 5.106 4.320 -0.000 0.000 0.258 224 K C -0.467 175.987 176.600 -0.243 0.000 0.944 224 K CA -0.172 55.958 56.287 -0.262 0.000 0.823 224 K CB 1.972 34.210 32.500 -0.438 0.000 1.113 224 K HN 0.688 nan 8.250 nan 0.000 0.431 225 S N 0.212 115.842 115.700 -0.118 0.000 2.596 225 S HA 0.601 5.071 4.470 -0.000 0.000 0.270 225 S C -1.122 173.545 174.600 0.112 0.000 1.155 225 S CA -0.729 57.423 58.200 -0.079 0.000 0.827 225 S CB 0.993 64.111 63.200 -0.137 0.000 1.130 225 S HN 0.690 nan 8.310 nan 0.000 0.467 226 T N 0.239 114.859 114.554 0.111 0.000 2.912 226 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 226 T C 1.198 176.016 174.700 0.197 0.000 0.989 226 T CA -0.542 61.669 62.100 0.185 0.000 0.995 226 T CB 0.782 69.700 68.868 0.083 0.000 1.077 226 T HN 0.419 nan 8.240 nan 0.000 0.531 227 I N 0.643 121.341 120.570 0.212 0.000 2.439 227 I HA 0.004 4.174 4.170 -0.000 0.000 0.251 227 I C 2.353 178.626 176.117 0.259 0.000 1.139 227 I CA 1.333 62.776 61.300 0.238 0.000 1.438 227 I CB -0.607 37.557 38.000 0.273 0.000 1.085 227 I HN 0.815 nan 8.210 nan 0.000 0.427 228 E N 0.061 120.302 120.200 0.068 0.000 2.047 228 E HA -0.225 4.125 4.350 -0.000 0.000 0.191 228 E C 1.716 178.418 176.600 0.171 0.000 0.987 228 E CA 1.487 57.922 56.400 0.058 0.000 0.799 228 E CB -0.203 29.400 29.700 -0.161 0.000 0.752 228 E HN 0.464 nan 8.360 nan 0.000 0.449 229 D N 0.265 120.742 120.400 0.128 0.000 2.117 229 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 229 D C 1.864 178.296 176.300 0.221 0.000 0.987 229 D CA 0.999 55.078 54.000 0.131 0.000 0.829 229 D CB -0.051 40.771 40.800 0.036 0.000 0.961 229 D HN 0.068 nan 8.370 nan 0.000 0.460 230 M N 0.329 120.077 119.600 0.246 0.000 2.175 230 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 230 M C 2.241 178.736 176.300 0.324 0.000 1.063 230 M CA 0.710 56.213 55.300 0.338 0.000 1.119 230 M CB -1.123 31.656 32.600 0.299 0.000 1.377 230 M HN -0.018 nan 8.290 nan 0.000 0.415 231 A N -0.097 122.887 122.820 0.273 0.000 1.908 231 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 231 A C 2.400 180.061 177.584 0.129 0.000 1.181 231 A CA 1.930 54.079 52.037 0.186 0.000 0.627 231 A CB -0.715 18.415 19.000 0.218 0.000 0.818 231 A HN 0.460 nan 8.150 nan 0.000 0.445 232 R N -1.435 119.170 120.500 0.174 0.000 2.096 232 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 232 R C 2.160 178.563 176.300 0.172 0.000 1.127 232 R CA 1.446 57.628 56.100 0.136 0.000 0.968 232 R CB -0.375 30.014 30.300 0.148 0.000 0.861 232 R HN 0.839 nan 8.270 nan 0.000 0.440 233 W N 0.538 121.867 121.300 0.048 0.000 2.338 233 W HA -0.227 4.433 4.660 0.000 0.000 0.304 233 W C 1.416 177.886 176.519 -0.082 0.000 1.212 233 W CA 1.337 58.699 57.345 0.029 0.000 1.264 233 W CB -0.052 29.474 29.460 0.109 0.000 1.142 233 W HN -0.021 nan 8.180 nan 0.000 0.512 234 V N 1.156 120.993 119.914 -0.128 0.000 2.358 234 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 234 V C 2.381 178.144 176.094 -0.550 0.000 1.047 234 V CA 2.207 64.237 62.300 -0.451 0.000 1.035 234 V CB -1.051 30.643 31.823 -0.215 0.000 0.658 234 V HN 0.224 nan 8.190 nan 0.000 0.452 235 Q N -0.102 119.521 119.800 -0.295 0.000 2.096 235 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 235 Q C 2.483 178.297 176.000 -0.310 0.000 0.982 235 Q CA 2.044 57.688 55.803 -0.266 0.000 0.850 235 Q CB -0.290 28.364 28.738 -0.140 0.000 0.901 235 Q HN 0.602 nan 8.270 nan 0.000 0.422 236 S N 0.754 116.282 115.700 -0.287 0.000 2.382 236 S HA -0.085 4.385 4.470 -0.000 0.000 0.228 236 S C 1.511 175.852 174.600 -0.431 0.000 1.027 236 S CA 0.949 58.985 58.200 -0.274 0.000 0.991 236 S CB -0.150 62.960 63.200 -0.150 0.000 0.823 236 S HN 0.378 nan 8.310 nan 0.000 0.469 237 N N 0.980 119.251 118.700 -0.715 0.000 2.376 237 N HA 0.156 4.896 4.740 -0.000 0.000 0.177 237 N C 1.616 176.627 175.510 -0.832 0.000 1.024 237 N CA 0.384 52.933 53.050 -0.835 0.000 0.893 237 N CB -0.107 37.670 38.487 -1.183 0.000 0.980 237 N HN 0.314 nan 8.380 nan 0.000 0.439 238 L N 0.529 121.221 121.223 -0.885 0.000 2.046 238 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 238 L C 1.049 177.730 176.870 -0.315 0.000 1.077 238 L CA 1.193 55.694 54.840 -0.565 0.000 0.747 238 L CB 0.065 41.840 42.059 -0.473 0.000 0.896 238 L HN -0.057 nan 8.230 nan 0.000 0.432 239 K N -0.797 119.431 120.400 -0.286 0.000 2.842 239 K HA 0.193 4.513 4.320 -0.000 0.000 0.176 239 K C -1.912 174.589 176.600 -0.164 0.000 1.080 239 K CA -1.261 54.912 56.287 -0.189 0.000 0.954 239 K CB 1.193 33.597 32.500 -0.160 0.000 1.203 239 K HN -0.143 nan 8.250 nan 0.000 0.611 240 P HA -0.124 nan 4.420 nan 0.000 0.223 240 P C 0.934 178.187 177.300 -0.078 0.000 1.151 240 P CA 0.761 63.791 63.100 -0.118 0.000 0.787 240 P CB 0.254 31.891 31.700 -0.106 0.000 0.788 241 L N -0.418 120.760 121.223 -0.075 0.000 2.362 241 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 241 L C 1.626 178.465 176.870 -0.052 0.000 1.134 241 L CA 1.082 55.889 54.840 -0.056 0.000 0.807 241 L CB -0.879 41.148 42.059 -0.054 0.000 0.927 241 L HN -0.090 nan 8.230 nan 0.000 0.447 242 D N 0.095 120.458 120.400 -0.062 0.000 2.347 242 D HA 0.110 4.750 4.640 -0.000 0.000 0.213 242 D C 0.824 177.099 176.300 -0.041 0.000 0.985 242 D CA 0.507 54.476 54.000 -0.053 0.000 0.879 242 D CB 0.154 40.915 40.800 -0.064 0.000 0.919 242 D HN 0.219 nan 8.370 nan 0.000 0.526 243 I N 1.385 121.931 120.570 -0.040 0.000 2.452 243 I HA 0.019 4.189 4.170 -0.000 0.000 0.287 243 I C 1.162 177.269 176.117 -0.017 0.000 1.079 243 I CA -0.003 61.283 61.300 -0.023 0.000 1.387 243 I CB 0.729 38.718 38.000 -0.018 0.000 1.404 243 I HN -0.125 nan 8.210 nan 0.000 0.522 244 N N 3.846 122.539 118.700 -0.012 0.000 2.270 244 N HA -0.103 4.637 4.740 -0.000 0.000 0.181 244 N C -0.130 175.375 175.510 -0.009 0.000 1.016 244 N CA 0.497 53.540 53.050 -0.011 0.000 0.870 244 N CB 0.067 38.548 38.487 -0.010 0.000 0.979 244 N HN 0.547 nan 8.380 nan 0.000 0.431 245 E N 1.310 121.507 120.200 -0.004 0.000 2.220 245 E HA 0.027 4.377 4.350 -0.000 0.000 0.272 245 E C 0.481 177.080 176.600 -0.002 0.000 1.099 245 E CA 0.109 56.507 56.400 -0.003 0.000 0.907 245 E CB 0.937 30.638 29.700 0.001 0.000 1.022 245 E HN 0.125 nan 8.360 nan 0.000 0.428 246 K N 1.572 121.969 120.400 -0.005 0.000 2.001 246 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 246 K C 1.928 178.529 176.600 0.001 0.000 1.050 246 K CA 2.059 58.343 56.287 -0.004 0.000 0.934 246 K CB -0.102 32.395 32.500 -0.005 0.000 0.718 246 K HN 0.684 nan 8.250 nan 0.000 0.443 247 T N -0.318 114.237 114.554 0.001 0.000 2.833 247 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 247 T C 1.772 176.482 174.700 0.016 0.000 1.054 247 T CA 1.074 63.177 62.100 0.006 0.000 1.135 247 T CB -0.191 68.677 68.868 -0.000 0.000 0.869 247 T HN 0.123 nan 8.240 nan 0.000 0.466 248 L N 1.259 122.492 121.223 0.017 0.000 2.044 248 L HA 0.102 4.442 4.340 -0.000 0.000 0.205 248 L C 2.846 179.735 176.870 0.032 0.000 1.075 248 L CA 1.900 56.761 54.840 0.035 0.000 0.747 248 L CB -1.106 40.978 42.059 0.042 0.000 0.903 248 L HN 0.412 nan 8.230 nan 0.000 0.435 249 Q N -0.749 119.058 119.800 0.012 0.000 2.077 249 Q HA -0.316 4.024 4.340 -0.000 0.000 0.206 249 Q C 2.135 178.137 176.000 0.003 0.000 0.989 249 Q CA 2.485 58.286 55.803 -0.004 0.000 0.853 249 Q CB -0.205 28.525 28.738 -0.014 0.000 0.907 249 Q HN 0.685 nan 8.270 nan 0.000 0.418 250 Q N -0.613 119.195 119.800 0.012 0.000 2.079 250 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 250 Q C 2.105 178.132 176.000 0.044 0.000 0.974 250 Q CA 1.217 57.033 55.803 0.021 0.000 0.840 250 Q CB -0.270 28.480 28.738 0.020 0.000 0.898 250 Q HN 0.599 nan 8.270 nan 0.000 0.430 251 G N 0.974 109.808 108.800 0.056 0.000 2.418 251 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 251 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 251 G C 1.402 176.371 174.900 0.114 0.000 1.158 251 G CA 0.662 45.816 45.100 0.090 0.000 0.771 251 G HN 0.231 nan 8.290 nan 0.000 0.545 252 I N 0.329 120.949 120.570 0.083 0.000 2.208 252 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 252 I C 3.049 179.200 176.117 0.057 0.000 1.097 252 I CA 1.302 62.641 61.300 0.065 0.000 1.363 252 I CB -0.310 37.671 38.000 -0.030 0.000 1.051 252 I HN 0.260 nan 8.210 nan 0.000 0.413 253 Q N 0.508 120.326 119.800 0.029 0.000 2.096 253 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 253 Q C 2.378 178.414 176.000 0.059 0.000 0.982 253 Q CA 1.424 57.239 55.803 0.019 0.000 0.850 253 Q CB -0.202 28.536 28.738 -0.001 0.000 0.901 253 Q HN 0.527 nan 8.270 nan 0.000 0.422 254 L N 0.065 121.347 121.223 0.099 0.000 2.141 254 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 254 L C 2.416 179.442 176.870 0.260 0.000 1.094 254 L CA 0.794 55.731 54.840 0.162 0.000 0.763 254 L CB -0.495 41.667 42.059 0.172 0.000 0.908 254 L HN 0.203 nan 8.230 nan 0.000 0.437 255 A N -0.747 122.224 122.820 0.251 0.000 2.067 255 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 255 A C 2.059 179.875 177.584 0.386 0.000 1.158 255 A CA 1.116 53.356 52.037 0.338 0.000 0.661 255 A CB -0.221 19.010 19.000 0.385 0.000 0.801 255 A HN 0.489 nan 8.150 nan 0.000 0.452 256 Q N 0.006 119.951 119.800 0.242 0.000 2.280 256 Q HA 0.196 4.536 4.340 -0.000 0.000 0.201 256 Q C -0.125 175.905 176.000 0.049 0.000 0.890 256 Q CA -0.329 55.556 55.803 0.138 0.000 0.947 256 Q CB 0.442 29.184 28.738 0.007 0.000 1.081 256 Q HN 0.480 nan 8.270 nan 0.000 0.502 257 S N 1.075 116.789 115.700 0.023 0.000 2.579 257 S HA 0.191 4.661 4.470 -0.000 0.000 0.275 257 S C 0.075 174.493 174.600 -0.303 0.000 1.345 257 S CA -0.084 57.980 58.200 -0.226 0.000 1.031 257 S CB 0.532 63.473 63.200 -0.431 0.000 0.892 257 S HN 0.235 nan 8.310 nan 0.000 0.529 258 R N 1.648 121.931 120.500 -0.362 0.000 2.204 258 R HA 0.247 4.587 4.340 -0.000 0.000 0.341 258 R C -0.390 175.737 176.300 -0.288 0.000 1.035 258 R CA -0.153 55.844 56.100 -0.173 0.000 0.887 258 R CB 0.414 30.593 30.300 -0.202 0.000 1.114 258 R HN 0.692 nan 8.270 nan 0.000 0.473 259 Y N 0.617 120.926 120.300 0.016 0.000 2.479 259 Y HA 0.144 4.694 4.550 0.000 0.000 0.283 259 Y C 0.144 175.759 175.900 -0.476 0.000 1.109 259 Y CA 0.311 58.265 58.100 -0.243 0.000 1.239 259 Y CB 0.563 38.883 38.460 -0.232 0.000 1.108 259 Y HN 0.460 nan 8.280 nan 0.000 0.548 260 W N -0.203 121.265 121.300 0.280 0.000 3.107 260 W HA 0.559 5.220 4.660 0.000 0.000 0.331 260 W C -0.904 175.730 176.519 0.192 0.000 1.204 260 W CA -0.976 56.492 57.345 0.205 0.000 1.184 260 W CB 1.169 30.732 29.460 0.172 0.000 1.421 260 W HN -0.460 nan 8.180 nan 0.000 0.544 261 Q N 1.461 121.472 119.800 0.351 0.000 2.337 261 Q HA 0.626 4.966 4.340 -0.000 0.000 0.270 261 Q C -1.251 174.778 176.000 0.048 0.000 1.043 261 Q CA -0.449 55.395 55.803 0.068 0.000 0.794 261 Q CB 2.433 31.141 28.738 -0.050 0.000 1.281 261 Q HN 0.445 nan 8.270 nan 0.000 0.446 262 T N 2.585 117.116 114.554 -0.038 0.000 2.881 262 T HA 0.633 4.983 4.350 -0.000 0.000 0.291 262 T C 0.378 175.024 174.700 -0.091 0.000 0.990 262 T CA 0.766 62.842 62.100 -0.041 0.000 0.976 262 T CB 0.807 69.667 68.868 -0.013 0.000 0.970 262 T HN 1.030 nan 8.240 nan 0.000 0.438 263 G N 5.391 114.139 108.800 -0.087 0.000 2.583 263 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.292 263 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.292 263 G C 0.360 175.171 174.900 -0.148 0.000 1.203 263 G CA 0.764 45.807 45.100 -0.093 0.000 0.987 263 G HN 1.007 nan 8.290 nan 0.000 0.554 264 D N 0.197 120.518 120.400 -0.131 0.000 2.342 264 D HA 0.268 4.908 4.640 -0.000 0.000 0.221 264 D C 1.111 177.300 176.300 -0.186 0.000 1.101 264 D CA 0.413 54.326 54.000 -0.145 0.000 0.837 264 D CB 0.071 40.824 40.800 -0.078 0.000 0.938 264 D HN 0.560 nan 8.370 nan 0.000 0.508 265 M N 0.686 120.156 119.600 -0.217 0.000 2.472 265 M HA 0.418 4.898 4.480 -0.000 0.000 0.331 265 M C -1.730 174.406 176.300 -0.273 0.000 1.170 265 M CA -0.632 54.608 55.300 -0.101 0.000 1.009 265 M CB 1.825 34.465 32.600 0.066 0.000 1.672 265 M HN -0.177 nan 8.290 nan 0.000 0.453 266 Y N 1.517 121.927 120.300 0.183 0.000 2.409 266 Y HA 0.389 4.939 4.550 0.000 0.000 0.343 266 Y C -0.336 175.724 175.900 0.266 0.000 0.973 266 Y CA -0.719 57.502 58.100 0.203 0.000 1.064 266 Y CB 1.582 40.130 38.460 0.145 0.000 1.207 266 Y HN 0.569 nan 8.280 nan 0.000 0.452 267 Q N 1.899 121.977 119.800 0.463 0.000 2.296 267 Q HA 0.537 4.877 4.340 -0.000 0.000 0.257 267 Q C 0.037 176.327 176.000 0.484 0.000 0.942 267 Q CA -0.185 55.889 55.803 0.452 0.000 0.939 267 Q CB 1.157 30.174 28.738 0.465 0.000 1.198 267 Q HN 0.902 nan 8.270 nan 0.000 0.429 268 G N 2.776 111.835 108.800 0.431 0.000 2.641 268 G HA2 0.468 4.428 3.960 -0.000 0.000 0.239 268 G HA3 0.468 4.428 3.960 -0.000 0.000 0.239 268 G C -0.886 174.189 174.900 0.291 0.000 1.402 268 G CA -0.798 44.580 45.100 0.463 0.000 1.046 268 G HN 0.595 nan 8.290 nan 0.000 0.565 269 L N 1.169 122.534 121.223 0.237 0.000 2.270 269 L HA 0.436 4.776 4.340 -0.000 0.000 0.286 269 L C 1.407 178.319 176.870 0.070 0.000 1.059 269 L CA 0.458 55.308 54.840 0.017 0.000 0.839 269 L CB 0.443 42.503 42.059 0.002 0.000 1.221 269 L HN 1.039 nan 8.230 nan 0.000 0.431 270 G N 2.173 110.983 108.800 0.017 0.000 4.039 270 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 270 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 270 G C 0.056 175.003 174.900 0.077 0.000 1.391 270 G CA -0.139 44.974 45.100 0.021 0.000 0.920 270 G HN 0.528 nan 8.290 nan 0.000 0.599 271 W N 2.558 123.987 121.300 0.216 0.000 2.209 271 W HA 0.522 5.182 4.660 -0.000 0.000 0.344 271 W C 0.873 177.535 176.519 0.238 0.000 1.285 271 W CA -0.076 57.392 57.345 0.205 0.000 1.267 271 W CB 0.334 29.890 29.460 0.160 0.000 1.167 271 W HN 0.364 nan 8.180 nan 0.000 0.574 272 E N 1.791 122.332 120.200 0.569 0.000 2.227 272 E HA 0.602 4.952 4.350 -0.000 0.000 0.268 272 E C -0.839 176.059 176.600 0.497 0.000 0.907 272 E CA -1.176 55.525 56.400 0.502 0.000 0.786 272 E CB 1.703 31.684 29.700 0.469 0.000 1.191 272 E HN 0.182 nan 8.360 nan 0.000 0.411 273 M N 1.970 121.817 119.600 0.411 0.000 2.446 273 M HA 0.434 4.914 4.480 -0.000 0.000 0.294 273 M C -1.572 174.956 176.300 0.380 0.000 1.158 273 M CA -0.335 55.148 55.300 0.304 0.000 0.899 273 M CB 1.743 34.456 32.600 0.189 0.000 1.687 273 M HN 0.291 nan 8.290 nan 0.000 0.455 274 L N 0.708 122.121 121.223 0.316 0.000 2.350 274 L HA 0.584 4.924 4.340 -0.000 0.000 0.260 274 L C -0.639 176.406 176.870 0.291 0.000 1.015 274 L CA -0.696 54.336 54.840 0.319 0.000 0.821 274 L CB 1.702 43.867 42.059 0.176 0.000 1.370 274 L HN 0.544 nan 8.230 nan 0.000 0.416 275 D N 0.828 121.389 120.400 0.269 0.000 2.424 275 D HA -0.038 4.602 4.640 -0.000 0.000 0.244 275 D C -0.841 175.599 176.300 0.233 0.000 1.134 275 D CA 0.180 54.302 54.000 0.203 0.000 0.881 275 D CB 1.038 41.928 40.800 0.150 0.000 1.191 275 D HN 0.358 nan 8.370 nan 0.000 0.445 276 W N 5.001 126.362 121.300 0.102 0.000 2.351 276 W HA 0.254 4.914 4.660 -0.000 0.000 0.311 276 W C -2.263 174.310 176.519 0.090 0.000 1.168 276 W CA -1.720 55.702 57.345 0.129 0.000 1.200 276 W CB 1.063 30.611 29.460 0.147 0.000 1.221 276 W HN 0.237 nan 8.180 nan 0.000 0.519 277 P HA 0.166 nan 4.420 nan 0.000 0.278 277 P C -0.440 176.537 177.300 -0.539 0.000 1.238 277 P CA -0.103 62.249 63.100 -1.247 0.000 0.794 277 P CB 1.769 32.895 31.700 -0.957 0.000 0.955 278 V N -0.268 119.354 119.914 -0.487 0.000 2.837 278 V HA 0.479 4.599 4.120 -0.000 0.000 0.310 278 V C 0.208 176.023 176.094 -0.465 0.000 1.059 278 V CA -1.012 61.087 62.300 -0.335 0.000 1.004 278 V CB 1.123 32.741 31.823 -0.341 0.000 1.045 278 V HN 0.562 nan 8.190 nan 0.000 0.465 279 N N 3.991 122.445 118.700 -0.410 0.000 2.411 279 N HA 0.379 5.119 4.740 -0.000 0.000 0.259 279 N C -1.304 173.812 175.510 -0.656 0.000 1.103 279 N CA -2.207 50.569 53.050 -0.456 0.000 0.954 279 N CB 1.280 39.589 38.487 -0.296 0.000 1.085 279 N HN 0.521 nan 8.380 nan 0.000 0.485 280 P HA -0.111 nan 4.420 nan 0.000 0.216 280 P C 0.291 177.205 177.300 -0.644 0.000 1.150 280 P CA 1.100 63.470 63.100 -1.216 0.000 0.837 280 P CB 0.410 31.032 31.700 -1.797 0.000 0.786 281 D N -0.501 119.627 120.400 -0.455 0.000 2.182 281 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 281 D C 2.173 178.330 176.300 -0.238 0.000 0.986 281 D CA 1.057 54.888 54.000 -0.282 0.000 0.847 281 D CB -0.589 40.088 40.800 -0.205 0.000 0.942 281 D HN 0.153 nan 8.370 nan 0.000 0.467 282 S N 0.302 115.842 115.700 -0.266 0.000 2.345 282 S HA -0.103 4.367 4.470 -0.000 0.000 0.220 282 S C 2.159 176.655 174.600 -0.174 0.000 1.031 282 S CA 1.007 59.088 58.200 -0.198 0.000 0.996 282 S CB -0.179 62.902 63.200 -0.197 0.000 0.882 282 S HN 0.401 nan 8.310 nan 0.000 0.445 283 I N -0.841 119.582 120.570 -0.244 0.000 2.353 283 I HA -0.015 4.155 4.170 -0.000 0.000 0.248 283 I C 2.104 178.165 176.117 -0.095 0.000 1.119 283 I CA 1.225 62.435 61.300 -0.150 0.000 1.417 283 I CB -0.537 37.286 38.000 -0.294 0.000 1.078 283 I HN 0.240 nan 8.210 nan 0.000 0.421 284 I N 1.939 122.405 120.570 -0.174 0.000 2.133 284 I HA -0.235 3.935 4.170 -0.000 0.000 0.238 284 I C 2.382 178.441 176.117 -0.098 0.000 1.074 284 I CA 1.512 62.734 61.300 -0.130 0.000 1.342 284 I CB -0.652 37.257 38.000 -0.153 0.000 1.053 284 I HN 0.285 nan 8.210 nan 0.000 0.404 285 N N 1.109 119.746 118.700 -0.106 0.000 2.166 285 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 285 N C 1.869 177.340 175.510 -0.066 0.000 1.019 285 N CA 1.587 54.588 53.050 -0.081 0.000 0.856 285 N CB -0.737 37.699 38.487 -0.084 0.000 0.993 285 N HN 0.424 nan 8.380 nan 0.000 0.426 286 G N 0.279 109.042 108.800 -0.061 0.000 2.470 286 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 286 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 286 G C 1.587 176.471 174.900 -0.027 0.000 1.121 286 G CA 1.214 46.292 45.100 -0.036 0.000 0.766 286 G HN 0.503 nan 8.290 nan 0.000 0.553 287 S N -0.292 115.390 115.700 -0.030 0.000 2.522 287 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 287 S C 0.818 175.370 174.600 -0.080 0.000 0.986 287 S CA 0.083 58.253 58.200 -0.050 0.000 0.929 287 S CB -0.060 63.103 63.200 -0.061 0.000 0.769 287 S HN 0.308 nan 8.310 nan 0.000 0.529 288 D N 2.039 122.397 120.400 -0.069 0.000 2.458 288 D HA 0.046 4.686 4.640 -0.000 0.000 0.243 288 D C 0.377 176.637 176.300 -0.067 0.000 1.146 288 D CA 0.059 54.021 54.000 -0.064 0.000 0.877 288 D CB 0.518 41.288 40.800 -0.050 0.000 1.176 288 D HN 0.110 nan 8.370 nan 0.000 0.461 289 N N 3.223 121.883 118.700 -0.066 0.000 2.348 289 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 289 N C 1.594 177.078 175.510 -0.043 0.000 1.019 289 N CA 0.795 53.805 53.050 -0.066 0.000 0.880 289 N CB -0.132 38.324 38.487 -0.051 0.000 0.965 289 N HN 0.649 nan 8.380 nan 0.000 0.437 290 K N 0.303 120.684 120.400 -0.032 0.000 2.280 290 K HA -0.037 4.283 4.320 -0.000 0.000 0.202 290 K C 1.636 178.222 176.600 -0.023 0.000 1.047 290 K CA 0.994 57.269 56.287 -0.020 0.000 0.942 290 K CB -0.018 32.472 32.500 -0.017 0.000 0.739 290 K HN 0.188 nan 8.250 nan 0.000 0.457 291 I N 0.948 121.496 120.570 -0.037 0.000 2.899 291 I HA 0.013 4.183 4.170 -0.000 0.000 0.257 291 I C 2.527 178.614 176.117 -0.051 0.000 1.115 291 I CA 0.522 61.798 61.300 -0.039 0.000 1.451 291 I CB -0.136 37.839 38.000 -0.042 0.000 1.251 291 I HN 0.175 nan 8.210 nan 0.000 0.456 292 A N 0.981 123.754 122.820 -0.078 0.000 2.019 292 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 292 A C 2.085 179.577 177.584 -0.153 0.000 1.164 292 A CA 1.381 53.337 52.037 -0.134 0.000 0.644 292 A CB -0.620 18.264 19.000 -0.193 0.000 0.805 292 A HN 0.434 nan 8.150 nan 0.000 0.449 293 L N -1.088 120.083 121.223 -0.086 0.000 2.640 293 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 293 L C 1.083 177.972 176.870 0.031 0.000 1.123 293 L CA -0.118 54.714 54.840 -0.013 0.000 0.900 293 L CB -0.195 41.870 42.059 0.010 0.000 1.146 293 L HN 0.347 nan 8.230 nan 0.000 0.484 294 A N 0.818 123.643 122.820 0.008 0.000 2.340 294 A HA 0.662 4.982 4.320 -0.000 0.000 0.268 294 A C 0.497 178.084 177.584 0.005 0.000 1.100 294 A CA -0.225 51.825 52.037 0.021 0.000 0.803 294 A CB 0.478 19.479 19.000 0.002 0.000 1.043 294 A HN 0.201 nan 8.150 nan 0.000 0.488 295 A N 2.576 125.401 122.820 0.008 0.000 2.520 295 A HA 0.526 4.846 4.320 -0.000 0.000 0.245 295 A C 0.414 177.894 177.584 -0.175 0.000 1.072 295 A CA 0.063 52.023 52.037 -0.128 0.000 0.761 295 A CB 0.039 18.886 19.000 -0.257 0.000 1.004 295 A HN 0.738 nan 8.150 nan 0.000 0.499 296 R N 2.411 122.785 120.500 -0.209 0.000 2.673 296 R HA 0.474 4.814 4.340 -0.000 0.000 0.281 296 R C -3.132 173.034 176.300 -0.225 0.000 0.991 296 R CA -2.079 53.916 56.100 -0.174 0.000 0.896 296 R CB 1.973 32.215 30.300 -0.095 0.000 1.201 296 R HN 0.498 nan 8.270 nan 0.000 0.457 297 P HA 0.076 nan 4.420 nan 0.000 0.271 297 P C -0.157 177.085 177.300 -0.098 0.000 1.216 297 P CA -0.258 62.736 63.100 -0.177 0.000 0.776 297 P CB 0.772 32.396 31.700 -0.126 0.000 0.881 298 V N 0.273 120.137 119.914 -0.082 0.000 2.667 298 V HA 0.540 4.660 4.120 -0.000 0.000 0.308 298 V C -0.052 176.164 176.094 0.203 0.000 1.048 298 V CA -0.962 61.370 62.300 0.053 0.000 0.928 298 V CB 1.893 33.690 31.823 -0.043 0.000 1.004 298 V HN 0.281 nan 8.190 nan 0.000 0.444 299 K N 2.847 123.405 120.400 0.264 0.000 2.240 299 K HA 0.690 5.010 4.320 -0.000 0.000 0.271 299 K C 0.124 176.949 176.600 0.375 0.000 1.018 299 K CA -0.303 56.143 56.287 0.264 0.000 0.874 299 K CB 1.912 34.500 32.500 0.147 0.000 1.098 299 K HN 1.041 nan 8.250 nan 0.000 0.458 300 A N 4.338 127.350 122.820 0.320 0.000 2.520 300 A HA 0.134 4.454 4.320 -0.000 0.000 0.245 300 A C 0.153 177.691 177.584 -0.076 0.000 1.072 300 A CA 0.034 52.031 52.037 -0.066 0.000 0.761 300 A CB -0.274 18.669 19.000 -0.094 0.000 1.004 300 A HN 0.736 nan 8.150 nan 0.000 0.499 301 I N 2.876 123.333 120.570 -0.189 0.000 2.306 301 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 301 I C -0.159 175.864 176.117 -0.157 0.000 1.036 301 I CA 0.108 61.345 61.300 -0.105 0.000 1.221 301 I CB 1.200 39.162 38.000 -0.064 0.000 1.385 301 I HN 0.520 nan 8.210 nan 0.000 0.472 302 T N 6.487 120.981 114.554 -0.100 0.000 2.963 302 T HA 0.405 4.755 4.350 -0.000 0.000 0.343 302 T C -1.768 172.896 174.700 -0.061 0.000 1.146 302 T CA -0.931 61.117 62.100 -0.087 0.000 1.016 302 T CB 0.787 69.620 68.868 -0.057 0.000 1.046 302 T HN 0.449 nan 8.240 nan 0.000 0.496 303 P HA 0.555 nan 4.420 nan 0.000 0.280 303 P C -3.039 174.176 177.300 -0.141 0.000 1.272 303 P CA -2.092 60.952 63.100 -0.092 0.000 0.819 303 P CB 0.040 31.700 31.700 -0.067 0.000 1.122 304 P HA 0.076 nan 4.420 nan 0.000 0.266 304 P C -0.295 176.842 177.300 -0.272 0.000 1.195 304 P CA 0.323 63.221 63.100 -0.337 0.000 0.768 304 P CB -0.090 31.228 31.700 -0.636 0.000 0.838 305 T N 5.582 119.979 114.554 -0.261 0.000 2.870 305 T HA 0.227 4.577 4.350 -0.000 0.000 0.300 305 T C -2.080 172.487 174.700 -0.222 0.000 0.989 305 T CA -0.902 61.072 62.100 -0.210 0.000 1.139 305 T CB -0.287 68.454 68.868 -0.213 0.000 0.920 305 T HN 0.296 nan 8.240 nan 0.000 0.537 306 P HA 0.223 nan 4.420 nan 0.000 0.270 306 P C -0.522 176.702 177.300 -0.126 0.000 1.223 306 P CA -0.579 62.441 63.100 -0.133 0.000 0.785 306 P CB 0.274 31.918 31.700 -0.092 0.000 0.923 307 A N 2.197 124.958 122.820 -0.099 0.000 2.572 307 A HA 0.039 4.359 4.320 -0.000 0.000 0.256 307 A C 0.229 177.760 177.584 -0.089 0.000 1.041 307 A CA 0.240 52.225 52.037 -0.087 0.000 0.790 307 A CB -0.960 18.003 19.000 -0.062 0.000 0.947 307 A HN 0.370 nan 8.150 nan 0.000 0.518 308 V N 6.435 126.288 119.914 -0.102 0.000 2.408 308 V HA 0.089 4.209 4.120 -0.000 0.000 0.267 308 V C 1.555 177.612 176.094 -0.062 0.000 1.047 308 V CA -0.375 61.873 62.300 -0.086 0.000 0.937 308 V CB 0.751 32.509 31.823 -0.109 0.000 0.999 308 V HN 1.031 nan 8.190 nan 0.000 0.472 309 R N 3.968 124.439 120.500 -0.049 0.000 2.096 309 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 309 R C 1.341 177.626 176.300 -0.025 0.000 1.127 309 R CA 1.346 57.419 56.100 -0.045 0.000 0.968 309 R CB -0.242 30.031 30.300 -0.044 0.000 0.861 309 R HN 0.709 nan 8.270 nan 0.000 0.440 310 A N 2.020 124.851 122.820 0.019 0.000 3.063 310 A HA 0.242 4.562 4.320 -0.000 0.000 0.263 310 A C -0.408 177.272 177.584 0.159 0.000 1.736 310 A CA 0.066 52.165 52.037 0.104 0.000 1.408 310 A CB -0.068 19.015 19.000 0.138 0.000 1.108 310 A HN 0.047 nan 8.150 nan 0.000 0.621 311 S N 0.475 116.234 115.700 0.098 0.000 2.548 311 S HA 0.476 4.946 4.470 -0.000 0.000 0.286 311 S C -0.869 173.800 174.600 0.116 0.000 1.098 311 S CA -0.569 57.701 58.200 0.117 0.000 0.930 311 S CB 1.113 64.300 63.200 -0.022 0.000 1.070 311 S HN 0.685 nan 8.310 nan 0.000 0.480 312 W N 4.501 125.835 121.300 0.058 0.000 2.387 312 W HA 0.504 5.164 4.660 -0.000 0.000 0.310 312 W C -1.688 174.686 176.519 -0.241 0.000 1.181 312 W CA -0.442 56.876 57.345 -0.045 0.000 1.333 312 W CB 0.403 29.939 29.460 0.126 0.000 1.286 312 W HN 0.318 nan 8.180 nan 0.000 0.455 313 V N 7.588 127.035 119.914 -0.778 0.000 2.435 313 V HA 0.423 4.543 4.120 -0.000 0.000 0.290 313 V C -0.040 175.594 176.094 -0.768 0.000 1.030 313 V CA -0.339 61.448 62.300 -0.855 0.000 0.881 313 V CB 1.238 32.055 31.823 -1.676 0.000 0.983 313 V HN 0.663 nan 8.190 nan 0.000 0.445 314 H N 2.460 121.424 119.070 -0.177 0.000 2.967 314 H HA 0.879 5.435 4.556 -0.000 0.000 0.318 314 H C -1.330 174.263 175.328 0.442 0.000 1.375 314 H CA -1.275 54.824 56.048 0.085 0.000 1.132 314 H CB 2.107 31.940 29.762 0.118 0.000 1.848 314 H HN 0.445 nan 8.280 nan 0.000 0.524 315 K N 1.372 121.899 120.400 0.211 0.000 2.575 315 K HA 0.240 4.560 4.320 -0.000 0.000 0.255 315 K C -1.289 175.431 176.600 0.200 0.000 0.953 315 K CA -0.007 56.352 56.287 0.120 0.000 0.840 315 K CB 1.936 34.504 32.500 0.113 0.000 1.303 315 K HN 0.913 nan 8.250 nan 0.000 0.438 316 T N 0.084 114.773 114.554 0.226 0.000 2.882 316 T HA 0.830 5.180 4.350 -0.000 0.000 0.287 316 T C 0.396 175.201 174.700 0.175 0.000 1.014 316 T CA -0.267 61.998 62.100 0.275 0.000 1.049 316 T CB 1.484 70.414 68.868 0.104 0.000 1.001 316 T HN 0.678 nan 8.240 nan 0.000 0.525 317 G N -0.538 108.367 108.800 0.175 0.000 2.732 317 G HA2 0.700 4.660 3.960 -0.000 0.000 0.296 317 G HA3 0.700 4.660 3.960 -0.000 0.000 0.296 317 G C -1.486 173.508 174.900 0.156 0.000 1.448 317 G CA -0.525 44.675 45.100 0.166 0.000 0.911 317 G HN 1.081 nan 8.290 nan 0.000 0.528 318 A N 0.480 123.387 122.820 0.145 0.000 2.515 318 A HA 0.998 5.318 4.320 -0.000 0.000 0.296 318 A C 0.225 177.904 177.584 0.159 0.000 1.094 318 A CA 0.093 52.224 52.037 0.158 0.000 0.718 318 A CB 1.807 20.867 19.000 0.100 0.000 1.307 318 A HN 1.848 nan 8.150 nan 0.000 0.408 319 T N -2.297 112.390 114.554 0.223 0.000 2.762 319 T HA 0.608 4.958 4.350 -0.000 0.000 0.272 319 T C 1.358 176.174 174.700 0.193 0.000 0.982 319 T CA 0.185 62.395 62.100 0.184 0.000 1.013 319 T CB 0.851 69.868 68.868 0.248 0.000 1.309 319 T HN 1.382 nan 8.240 nan 0.000 0.572 320 G N -0.276 108.622 108.800 0.163 0.000 2.442 320 G HA2 0.115 4.075 3.960 -0.000 0.000 0.219 320 G HA3 0.115 4.075 3.960 -0.000 0.000 0.219 320 G C 1.225 176.220 174.900 0.158 0.000 1.141 320 G CA 0.638 45.819 45.100 0.135 0.000 0.763 320 G HN 1.118 nan 8.290 nan 0.000 0.554 321 G N -1.369 107.570 108.800 0.233 0.000 3.159 321 G HA2 0.472 4.432 3.960 -0.000 0.000 0.232 321 G HA3 0.472 4.432 3.960 -0.000 0.000 0.232 321 G C -0.347 174.532 174.900 -0.034 0.000 1.116 321 G CA -0.436 44.718 45.100 0.091 0.000 0.767 321 G HN 0.211 nan 8.290 nan 0.000 0.547 322 F N -0.842 119.240 119.950 0.219 0.000 2.626 322 F HA 0.698 5.225 4.527 0.000 0.000 0.311 322 F C 0.256 176.191 175.800 0.226 0.000 1.088 322 F CA -1.065 57.102 58.000 0.278 0.000 0.949 322 F CB 2.348 41.536 39.000 0.313 0.000 1.322 322 F HN 0.016 nan 8.300 nan 0.000 0.461 323 G N 0.687 109.756 108.800 0.448 0.000 2.732 323 G HA2 0.595 4.555 3.960 -0.000 0.000 0.295 323 G HA3 0.595 4.555 3.960 -0.000 0.000 0.295 323 G C -1.728 173.334 174.900 0.270 0.000 1.456 323 G CA -0.641 44.607 45.100 0.246 0.000 1.050 323 G HN 0.568 nan 8.290 nan 0.000 0.525 324 S N 0.146 115.976 115.700 0.218 0.000 2.599 324 S HA 0.803 5.273 4.470 -0.000 0.000 0.287 324 S C -1.735 173.047 174.600 0.303 0.000 1.105 324 S CA -0.672 57.676 58.200 0.247 0.000 0.899 324 S CB 2.099 65.441 63.200 0.236 0.000 1.100 324 S HN 0.703 nan 8.310 nan 0.000 0.482 325 Y N 0.569 120.970 120.300 0.169 0.000 2.482 325 Y HA 0.600 5.150 4.550 -0.000 0.000 0.334 325 Y C -1.849 174.201 175.900 0.249 0.000 1.091 325 Y CA -0.782 57.434 58.100 0.195 0.000 1.027 325 Y CB 1.061 39.635 38.460 0.190 0.000 1.306 325 Y HN 0.500 nan 8.280 nan 0.000 0.446 326 V N 4.498 124.255 119.914 -0.263 0.000 2.709 326 V HA 0.979 5.099 4.120 -0.000 0.000 0.308 326 V C -0.812 175.026 176.094 -0.426 0.000 1.062 326 V CA -0.316 61.907 62.300 -0.128 0.000 0.901 326 V CB 1.478 33.481 31.823 0.300 0.000 1.003 326 V HN 0.992 nan 8.190 nan 0.000 0.425 327 A N 4.635 127.241 122.820 -0.357 0.000 2.520 327 A HA 1.024 5.344 4.320 -0.000 0.000 0.298 327 A C -1.285 176.003 177.584 -0.492 0.000 1.051 327 A CA -0.504 51.177 52.037 -0.593 0.000 0.690 327 A CB 1.768 20.324 19.000 -0.741 0.000 1.281 327 A HN 1.406 nan 8.150 nan 0.000 0.402 328 F N -0.653 118.842 119.950 -0.758 0.000 2.668 328 F HA 0.826 5.353 4.527 -0.000 0.000 0.309 328 F C -1.391 174.043 175.800 -0.610 0.000 1.117 328 F CA -1.245 56.385 58.000 -0.617 0.000 0.951 328 F CB 1.318 40.024 39.000 -0.490 0.000 1.323 328 F HN 0.305 nan 8.300 nan 0.000 0.451 329 I N 2.446 122.833 120.570 -0.305 0.000 2.464 329 I HA 0.321 4.491 4.170 -0.000 0.000 0.277 329 I C -2.126 173.883 176.117 -0.180 0.000 1.040 329 I CA -1.872 59.221 61.300 -0.344 0.000 1.153 329 I CB 1.654 39.302 38.000 -0.587 0.000 1.274 329 I HN 0.378 nan 8.210 nan 0.000 0.469 330 P HA -0.224 nan 4.420 nan 0.000 0.216 330 P C 1.421 178.653 177.300 -0.113 0.000 1.153 330 P CA 1.267 64.326 63.100 -0.068 0.000 0.858 330 P CB 0.305 31.979 31.700 -0.044 0.000 0.789 331 E N -0.103 120.028 120.200 -0.116 0.000 2.204 331 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 331 E C 1.192 177.716 176.600 -0.128 0.000 0.990 331 E CA 0.986 57.326 56.400 -0.099 0.000 0.821 331 E CB -0.047 29.618 29.700 -0.059 0.000 0.750 331 E HN 0.137 nan 8.360 nan 0.000 0.477 332 K N 0.199 120.486 120.400 -0.189 0.000 2.374 332 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 332 K C -0.051 176.429 176.600 -0.199 0.000 1.023 332 K CA 0.121 56.287 56.287 -0.201 0.000 1.103 332 K CB 0.495 32.829 32.500 -0.277 0.000 0.848 332 K HN 0.150 nan 8.250 nan 0.000 0.528 333 E N 0.758 120.850 120.200 -0.181 0.000 2.440 333 E HA -0.222 4.128 4.350 -0.000 0.000 0.246 333 E C -0.919 175.576 176.600 -0.175 0.000 1.165 333 E CA 0.225 56.517 56.400 -0.179 0.000 0.726 333 E CB -1.132 28.459 29.700 -0.181 0.000 1.271 333 E HN 0.046 nan 8.360 nan 0.000 0.397 334 L N -0.187 120.937 121.223 -0.166 0.000 2.362 334 L HA 0.776 5.116 4.340 -0.000 0.000 0.275 334 L C 0.164 176.967 176.870 -0.112 0.000 0.998 334 L CA 0.267 55.033 54.840 -0.124 0.000 0.820 334 L CB 1.947 43.909 42.059 -0.162 0.000 1.270 334 L HN 0.063 nan 8.230 nan 0.000 0.415 335 G N 4.198 112.965 108.800 -0.055 0.000 2.649 335 G HA2 0.626 4.586 3.960 -0.000 0.000 0.290 335 G HA3 0.626 4.586 3.960 -0.000 0.000 0.290 335 G C -2.175 172.730 174.900 0.008 0.000 1.426 335 G CA -0.462 44.610 45.100 -0.048 0.000 0.794 335 G HN 0.743 nan 8.290 nan 0.000 0.483 336 I N -0.330 120.251 120.570 0.018 0.000 2.827 336 I HA 0.653 4.823 4.170 -0.000 0.000 0.298 336 I C -1.362 174.822 176.117 0.111 0.000 1.235 336 I CA -0.997 60.358 61.300 0.091 0.000 1.021 336 I CB 2.328 40.408 38.000 0.134 0.000 1.259 336 I HN 0.383 nan 8.210 nan 0.000 0.427 337 V N 7.106 127.121 119.914 0.168 0.000 2.588 337 V HA 0.534 4.654 4.120 -0.000 0.000 0.304 337 V C -0.534 175.696 176.094 0.226 0.000 1.042 337 V CA -0.452 61.966 62.300 0.197 0.000 0.877 337 V CB 1.842 33.795 31.823 0.216 0.000 0.996 337 V HN 0.641 nan 8.190 nan 0.000 0.425 338 M N 6.136 125.879 119.600 0.238 0.000 2.093 338 M HA 0.592 5.072 4.480 -0.000 0.000 0.297 338 M C -1.326 175.077 176.300 0.172 0.000 0.938 338 M CA -0.117 55.326 55.300 0.238 0.000 0.920 338 M CB 1.808 34.596 32.600 0.313 0.000 1.517 338 M HN 0.385 nan 8.290 nan 0.000 0.427 339 L N 2.908 124.131 121.223 0.000 0.000 2.333 339 L HA 0.987 5.327 4.340 -0.000 0.000 0.280 339 L C -0.328 176.347 176.870 -0.325 0.000 1.004 339 L CA -0.714 53.961 54.840 -0.276 0.000 0.820 339 L CB 1.729 43.297 42.059 -0.818 0.000 1.247 339 L HN 0.785 nan 8.230 nan 0.000 0.416 340 A N 2.034 124.919 122.820 0.107 0.000 2.475 340 A HA 0.569 4.889 4.320 -0.000 0.000 0.301 340 A C -0.331 177.618 177.584 0.608 0.000 1.059 340 A CA -0.746 51.518 52.037 0.377 0.000 0.710 340 A CB 1.285 20.527 19.000 0.403 0.000 1.288 340 A HN 0.753 nan 8.150 nan 0.000 0.408 341 N N 1.201 120.206 118.700 0.509 0.000 2.455 341 N HA 0.151 4.891 4.740 -0.000 0.000 0.258 341 N C -0.420 175.083 175.510 -0.011 0.000 1.158 341 N CA -0.097 52.944 53.050 -0.014 0.000 0.893 341 N CB 0.257 38.718 38.487 -0.043 0.000 1.173 341 N HN 0.612 nan 8.380 nan 0.000 0.503 342 K N 0.060 120.555 120.400 0.158 0.000 2.498 342 K HA 0.257 4.577 4.320 -0.000 0.000 0.254 342 K C -1.463 175.316 176.600 0.298 0.000 0.933 342 K CA -0.733 55.665 56.287 0.184 0.000 0.806 342 K CB 1.316 33.923 32.500 0.179 0.000 1.301 342 K HN -0.084 nan 8.250 nan 0.000 0.432 343 N N 3.817 122.654 118.700 0.230 0.000 2.448 343 N HA 0.107 4.847 4.740 -0.000 0.000 0.250 343 N C -1.517 174.116 175.510 0.204 0.000 1.136 343 N CA -0.048 53.121 53.050 0.199 0.000 0.953 343 N CB -0.142 38.431 38.487 0.144 0.000 1.251 343 N HN 0.480 nan 8.380 nan 0.000 0.502 344 Y N 1.494 121.840 120.300 0.078 0.000 2.528 344 Y HA 0.774 5.324 4.550 0.000 0.000 0.335 344 Y C -2.549 173.374 175.900 0.038 0.000 1.093 344 Y CA -3.025 55.104 58.100 0.048 0.000 1.134 344 Y CB 0.163 38.647 38.460 0.039 0.000 1.253 344 Y HN 0.275 nan 8.280 nan 0.000 0.478 345 P HA 0.064 nan 4.420 nan 0.000 0.266 345 P C 0.010 177.201 177.300 -0.180 0.000 1.195 345 P CA 0.091 63.154 63.100 -0.062 0.000 0.768 345 P CB 0.784 32.492 31.700 0.013 0.000 0.838 346 N N 4.026 122.622 118.700 -0.173 0.000 2.060 346 N HA -0.158 4.582 4.740 -0.000 0.000 0.195 346 N C -0.882 174.519 175.510 -0.181 0.000 1.028 346 N CA 1.993 54.922 53.050 -0.202 0.000 0.861 346 N CB -1.999 36.399 38.487 -0.148 0.000 1.029 346 N HN 0.455 nan 8.380 nan 0.000 0.428 347 P HA -0.051 nan 4.420 nan 0.000 0.218 347 P C 1.020 178.293 177.300 -0.045 0.000 1.148 347 P CA 1.476 64.527 63.100 -0.082 0.000 0.822 347 P CB -0.089 31.579 31.700 -0.054 0.000 0.784 348 A N 0.022 122.844 122.820 0.004 0.000 1.972 348 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 348 A C 2.194 179.859 177.584 0.135 0.000 1.169 348 A CA 1.319 53.417 52.037 0.102 0.000 0.635 348 A CB -0.878 18.262 19.000 0.233 0.000 0.810 348 A HN 0.127 nan 8.150 nan 0.000 0.446 349 R N -0.602 119.912 120.500 0.023 0.000 2.062 349 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 349 R C 1.978 178.216 176.300 -0.104 0.000 1.136 349 R CA 1.504 57.599 56.100 -0.007 0.000 0.948 349 R CB -0.747 29.416 30.300 -0.229 0.000 0.845 349 R HN 0.363 nan 8.270 nan 0.000 0.430 350 V N 1.820 121.556 119.914 -0.297 0.000 2.427 350 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 350 V C 1.962 178.120 176.094 0.106 0.000 1.051 350 V CA 2.116 64.289 62.300 -0.211 0.000 1.048 350 V CB -0.627 31.070 31.823 -0.210 0.000 0.666 350 V HN 0.327 nan 8.190 nan 0.000 0.456 351 D N 0.732 121.172 120.400 0.066 0.000 2.092 351 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 351 D C 2.127 178.561 176.300 0.223 0.000 0.994 351 D CA 1.753 55.833 54.000 0.134 0.000 0.828 351 D CB -0.191 40.652 40.800 0.071 0.000 0.963 351 D HN 0.348 nan 8.370 nan 0.000 0.450 352 A N 0.431 123.357 122.820 0.177 0.000 1.908 352 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 352 A C 2.406 180.136 177.584 0.244 0.000 1.181 352 A CA 2.373 54.513 52.037 0.172 0.000 0.627 352 A CB -1.210 17.870 19.000 0.133 0.000 0.818 352 A HN 0.375 nan 8.150 nan 0.000 0.445 353 A N -1.148 121.888 122.820 0.359 0.000 1.902 353 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 353 A C 2.119 180.033 177.584 0.551 0.000 1.181 353 A CA 1.402 53.738 52.037 0.498 0.000 0.623 353 A CB -0.932 18.559 19.000 0.818 0.000 0.818 353 A HN 0.893 nan 8.150 nan 0.000 0.443 354 W N 0.656 122.185 121.300 0.381 0.000 2.355 354 W HA -0.198 4.462 4.660 -0.000 0.000 0.309 354 W C 1.889 178.538 176.519 0.217 0.000 1.206 354 W CA 2.020 59.533 57.345 0.279 0.000 1.284 354 W CB -0.334 29.151 29.460 0.041 0.000 1.145 354 W HN 0.382 nan 8.180 nan 0.000 0.502 355 Q N 0.767 120.632 119.800 0.109 0.000 2.077 355 Q HA -0.224 4.116 4.340 -0.000 0.000 0.206 355 Q C 2.287 178.236 176.000 -0.086 0.000 0.989 355 Q CA 2.229 58.013 55.803 -0.031 0.000 0.853 355 Q CB -0.940 27.847 28.738 0.082 0.000 0.907 355 Q HN 0.500 nan 8.270 nan 0.000 0.418 356 I N 0.280 120.856 120.570 0.009 0.000 2.163 356 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 356 I C 2.328 178.434 176.117 -0.018 0.000 1.081 356 I CA 0.983 62.285 61.300 0.004 0.000 1.353 356 I CB -0.294 37.737 38.000 0.052 0.000 1.054 356 I HN 0.125 nan 8.210 nan 0.000 0.407 357 L N 0.205 121.444 121.223 0.025 0.000 2.156 357 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 357 L C 2.200 179.017 176.870 -0.088 0.000 1.095 357 L CA 1.155 56.005 54.840 0.017 0.000 0.770 357 L CB -0.704 41.429 42.059 0.124 0.000 0.914 357 L HN 0.323 nan 8.230 nan 0.000 0.439 358 N N 0.496 119.006 118.700 -0.318 0.000 2.244 358 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 358 N C 1.770 177.176 175.510 -0.174 0.000 1.016 358 N CA 1.230 54.031 53.050 -0.414 0.000 0.866 358 N CB 0.061 37.888 38.487 -1.101 0.000 0.980 358 N HN 0.256 nan 8.380 nan 0.000 0.430 359 A N -0.079 122.656 122.820 -0.143 0.000 1.969 359 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 359 A C 1.938 179.507 177.584 -0.025 0.000 1.169 359 A CA 0.868 52.865 52.037 -0.068 0.000 0.635 359 A CB -0.382 18.580 19.000 -0.064 0.000 0.810 359 A HN 0.354 nan 8.150 nan 0.000 0.445 360 L N -0.768 120.452 121.223 -0.004 0.000 2.554 360 L HA 0.072 4.412 4.340 -0.000 0.000 0.225 360 L C 1.585 178.543 176.870 0.147 0.000 1.104 360 L CA -0.186 54.699 54.840 0.074 0.000 0.866 360 L CB -0.150 41.965 42.059 0.093 0.000 1.047 360 L HN 0.518 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.843 119.800 0.071 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.840 55.803 0.062 0.000 1.022 361 Q CB 0.000 28.790 28.738 0.086 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481