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 1l0e_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSQTFTGVL 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 0.000 177.457 177.584 -0.212 0.000 1.274 4 A CA 0.000 51.946 52.037 -0.152 0.000 0.836 4 A CB 0.000 18.873 19.000 -0.212 0.000 0.831 5 P HA 0.066 nan 4.420 nan 0.000 0.265 5 P C 0.767 177.949 177.300 -0.196 0.000 1.187 5 P CA -0.053 62.897 63.100 -0.250 0.000 0.766 5 P CB 0.594 32.086 31.700 -0.347 0.000 0.820 6 Q N 2.666 122.394 119.800 -0.120 0.000 2.152 6 Q HA -0.296 4.044 4.340 -0.000 0.000 0.206 6 Q C 1.825 177.766 176.000 -0.097 0.000 0.985 6 Q CA 2.086 57.840 55.803 -0.081 0.000 0.863 6 Q CB -0.184 28.523 28.738 -0.052 0.000 0.904 6 Q HN 0.605 nan 8.270 nan 0.000 0.422 7 Q N -0.274 119.441 119.800 -0.142 0.000 2.135 7 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 7 Q C 2.127 178.021 176.000 -0.176 0.000 0.981 7 Q CA 1.514 57.227 55.803 -0.150 0.000 0.856 7 Q CB -0.099 28.530 28.738 -0.182 0.000 0.902 7 Q HN 0.518 nan 8.270 nan 0.000 0.425 8 I N 0.693 121.116 120.570 -0.246 0.000 2.233 8 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 8 I C 2.035 178.103 176.117 -0.082 0.000 1.093 8 I CA 0.714 61.892 61.300 -0.204 0.000 1.380 8 I CB -0.502 37.321 38.000 -0.295 0.000 1.067 8 I HN 0.262 nan 8.210 nan 0.000 0.413 9 N N 0.956 119.655 118.700 -0.003 0.000 2.104 9 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 9 N C 1.509 177.034 175.510 0.025 0.000 1.024 9 N CA 1.910 55.010 53.050 0.083 0.000 0.853 9 N CB -0.469 38.073 38.487 0.091 0.000 1.008 9 N HN 0.393 nan 8.380 nan 0.000 0.424 10 D N 0.628 121.031 120.400 0.005 0.000 2.084 10 D HA -0.103 4.537 4.640 -0.000 0.000 0.194 10 D C 1.913 178.222 176.300 0.015 0.000 0.990 10 D CA 0.601 54.618 54.000 0.029 0.000 0.826 10 D CB -0.178 40.623 40.800 0.001 0.000 0.971 10 D HN 0.082 nan 8.370 nan 0.000 0.453 11 I N -0.231 120.318 120.570 -0.035 0.000 2.315 11 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 11 I C 2.087 178.175 176.117 -0.048 0.000 1.117 11 I CA 0.797 62.073 61.300 -0.041 0.000 1.404 11 I CB -0.164 37.801 38.000 -0.058 0.000 1.071 11 I HN -0.015 nan 8.210 nan 0.000 0.419 12 V N 0.063 119.910 119.914 -0.111 0.000 2.307 12 V HA -0.309 3.811 4.120 -0.000 0.000 0.245 12 V C 2.533 178.642 176.094 0.025 0.000 1.045 12 V CA 2.234 64.436 62.300 -0.165 0.000 1.024 12 V CB -1.056 30.376 31.823 -0.652 0.000 0.651 12 V HN 0.529 nan 8.190 nan 0.000 0.449 13 H N 0.724 119.771 119.070 -0.038 0.000 2.353 13 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 13 H C 2.410 177.776 175.328 0.064 0.000 1.090 13 H CA 1.902 58.003 56.048 0.087 0.000 1.327 13 H CB -0.097 29.707 29.762 0.071 0.000 1.383 13 H HN 0.250 nan 8.280 nan 0.000 0.508 14 R N -1.184 119.290 120.500 -0.044 0.000 2.189 14 R HA -0.020 4.320 4.340 -0.000 0.000 0.218 14 R C 1.655 177.909 176.300 -0.077 0.000 1.074 14 R CA 1.631 57.669 56.100 -0.103 0.000 0.991 14 R CB 0.273 30.546 30.300 -0.044 0.000 0.883 14 R HN 0.342 nan 8.270 nan 0.000 0.457 15 T N -0.062 114.465 114.554 -0.046 0.000 3.044 15 T HA 0.127 4.477 4.350 -0.000 0.000 0.237 15 T C 1.592 176.248 174.700 -0.074 0.000 1.001 15 T CA 0.190 62.268 62.100 -0.037 0.000 1.160 15 T CB 0.229 69.096 68.868 -0.003 0.000 0.889 15 T HN -0.051 nan 8.240 nan 0.000 0.442 16 I N 2.241 122.755 120.570 -0.093 0.000 2.333 16 I HA -0.046 4.124 4.170 -0.000 0.000 0.246 16 I C 2.574 178.461 176.117 -0.384 0.000 1.106 16 I CA 1.311 62.453 61.300 -0.263 0.000 1.411 16 I CB -1.818 35.954 38.000 -0.379 0.000 1.082 16 I HN 0.240 nan 8.210 nan 0.000 0.420 17 T N 2.186 116.638 114.554 -0.171 0.000 2.684 17 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 17 T C -0.271 174.328 174.700 -0.168 0.000 1.036 17 T CA 1.694 63.724 62.100 -0.117 0.000 1.148 17 T CB -1.347 67.617 68.868 0.159 0.000 0.863 17 T HN 0.228 nan 8.240 nan 0.000 0.436 18 P HA 0.049 nan 4.420 nan 0.000 0.219 18 P C 1.605 178.825 177.300 -0.133 0.000 1.150 18 P CA 0.374 63.403 63.100 -0.118 0.000 0.814 18 P CB -0.138 31.505 31.700 -0.095 0.000 0.787 19 L N -0.531 120.593 121.223 -0.165 0.000 2.017 19 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 19 L C 2.087 178.803 176.870 -0.257 0.000 1.073 19 L CA 1.854 56.587 54.840 -0.179 0.000 0.745 19 L CB -1.131 40.820 42.059 -0.180 0.000 0.894 19 L HN -0.130 nan 8.230 nan 0.000 0.432 20 I N -0.438 119.936 120.570 -0.327 0.000 2.208 20 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 20 I C 2.427 178.421 176.117 -0.205 0.000 1.097 20 I CA 1.088 62.191 61.300 -0.330 0.000 1.363 20 I CB -0.456 37.297 38.000 -0.412 0.000 1.051 20 I HN 0.342 nan 8.210 nan 0.000 0.413 21 E N 0.664 120.772 120.200 -0.153 0.000 2.072 21 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 21 E C 2.171 178.720 176.600 -0.085 0.000 0.985 21 E CA 1.220 57.564 56.400 -0.094 0.000 0.801 21 E CB -0.304 29.357 29.700 -0.066 0.000 0.750 21 E HN 0.611 nan 8.360 nan 0.000 0.452 22 Q N 0.146 119.890 119.800 -0.092 0.000 2.167 22 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 22 Q C 1.788 177.748 176.000 -0.066 0.000 0.970 22 Q CA 0.891 56.654 55.803 -0.067 0.000 0.855 22 Q CB 0.109 28.813 28.738 -0.057 0.000 0.911 22 Q HN 0.159 nan 8.270 nan 0.000 0.438 23 Q N 0.177 119.910 119.800 -0.113 0.000 2.319 23 Q HA 0.098 4.438 4.340 -0.000 0.000 0.202 23 Q C -0.365 175.577 176.000 -0.097 0.000 0.896 23 Q CA 0.127 55.867 55.803 -0.106 0.000 0.942 23 Q CB 0.681 29.277 28.738 -0.236 0.000 1.083 23 Q HN 0.265 nan 8.270 nan 0.000 0.510 24 K N 0.898 121.239 120.400 -0.098 0.000 3.148 24 K HA -0.177 4.143 4.320 -0.000 0.000 0.267 24 K C -0.574 175.976 176.600 -0.083 0.000 0.996 24 K CA 0.212 56.454 56.287 -0.075 0.000 0.737 24 K CB -1.884 30.591 32.500 -0.042 0.000 1.308 24 K HN 0.249 nan 8.250 nan 0.000 0.470 25 I N 0.827 121.318 120.570 -0.133 0.000 2.416 25 I HA 0.025 4.195 4.170 -0.000 0.000 0.288 25 I C -0.944 175.142 176.117 -0.051 0.000 1.051 25 I CA -2.091 59.141 61.300 -0.112 0.000 1.375 25 I CB 0.886 38.750 38.000 -0.227 0.000 1.407 25 I HN 0.028 nan 8.210 nan 0.000 0.516 26 P HA -0.002 nan 4.420 nan 0.000 0.216 26 P C 0.325 177.676 177.300 0.086 0.000 1.153 26 P CA 0.509 63.601 63.100 -0.014 0.000 0.844 26 P CB 0.287 31.899 31.700 -0.146 0.000 0.787 27 G N -1.578 107.328 108.800 0.178 0.000 2.718 27 G HA2 0.678 4.638 3.960 -0.000 0.000 0.295 27 G HA3 0.678 4.638 3.960 -0.000 0.000 0.295 27 G C -1.967 173.167 174.900 0.390 0.000 1.421 27 G CA -0.368 44.903 45.100 0.285 0.000 0.902 27 G HN 0.056 nan 8.290 nan 0.000 0.501 28 M N 0.727 120.599 119.600 0.453 0.000 2.471 28 M HA 0.709 5.189 4.480 -0.000 0.000 0.284 28 M C -1.608 175.014 176.300 0.536 0.000 1.203 28 M CA -0.570 54.969 55.300 0.399 0.000 0.915 28 M CB 2.243 34.913 32.600 0.116 0.000 1.734 28 M HN 1.186 nan 8.290 nan 0.000 0.485 29 A N 2.959 125.966 122.820 0.312 0.000 2.393 29 A HA 0.883 5.203 4.320 -0.000 0.000 0.306 29 A C -1.796 175.995 177.584 0.344 0.000 1.050 29 A CA -0.619 51.641 52.037 0.372 0.000 0.724 29 A CB 1.867 21.013 19.000 0.243 0.000 1.248 29 A HN 0.626 nan 8.150 nan 0.000 0.424 30 V N 0.807 121.042 119.914 0.534 0.000 2.709 30 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 30 V C 0.024 176.427 176.094 0.514 0.000 1.062 30 V CA -0.197 62.396 62.300 0.488 0.000 0.901 30 V CB 1.898 34.064 31.823 0.573 0.000 1.003 30 V HN 1.463 nan 8.190 nan 0.000 0.425 31 A N 3.895 126.937 122.820 0.370 0.000 2.356 31 A HA 0.884 5.204 4.320 -0.000 0.000 0.310 31 A C -1.166 176.541 177.584 0.205 0.000 1.075 31 A CA -0.553 51.629 52.037 0.242 0.000 0.746 31 A CB 1.791 20.905 19.000 0.190 0.000 1.221 31 A HN 0.664 nan 8.150 nan 0.000 0.443 32 V N 3.593 123.636 119.914 0.215 0.000 2.448 32 V HA 0.345 4.465 4.120 -0.000 0.000 0.295 32 V C -0.838 175.365 176.094 0.183 0.000 1.025 32 V CA -0.362 62.071 62.300 0.221 0.000 0.859 32 V CB 1.347 33.345 31.823 0.292 0.000 0.988 32 V HN 0.732 nan 8.190 nan 0.000 0.431 33 I N 5.863 126.503 120.570 0.116 0.000 2.304 33 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 33 I C -0.645 175.578 176.117 0.176 0.000 1.018 33 I CA -0.449 60.895 61.300 0.074 0.000 1.260 33 I CB 0.710 38.690 38.000 -0.034 0.000 1.390 33 I HN 0.581 nan 8.210 nan 0.000 0.475 34 Y N 5.489 125.859 120.300 0.117 0.000 2.329 34 Y HA 0.361 4.911 4.550 0.000 0.000 0.328 34 Y C 0.231 176.183 175.900 0.088 0.000 0.992 34 Y CA -0.820 57.343 58.100 0.105 0.000 1.151 34 Y CB 1.029 39.576 38.460 0.144 0.000 1.150 34 Y HN 0.687 nan 8.280 nan 0.000 0.450 35 Q N 4.599 124.121 119.800 -0.463 0.000 2.468 35 Q HA -0.250 4.090 4.340 -0.000 0.000 0.289 35 Q C 1.075 176.982 176.000 -0.154 0.000 1.299 35 Q CA 1.203 56.795 55.803 -0.352 0.000 0.838 35 Q CB -1.465 27.030 28.738 -0.405 0.000 1.195 35 Q HN 1.399 nan 8.270 nan 0.000 0.456 36 G N -0.752 107.971 108.800 -0.128 0.000 2.212 36 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.266 36 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.266 36 G C 0.036 174.884 174.900 -0.086 0.000 0.978 36 G CA 0.779 45.816 45.100 -0.105 0.000 0.632 36 G HN 0.311 nan 8.290 nan 0.000 0.537 37 K N 1.435 121.802 120.400 -0.055 0.000 2.164 37 K HA 0.558 4.878 4.320 -0.000 0.000 0.258 37 K C -2.676 173.746 176.600 -0.297 0.000 0.951 37 K CA -1.957 54.239 56.287 -0.151 0.000 0.844 37 K CB 2.829 35.248 32.500 -0.135 0.000 1.099 37 K HN 0.086 nan 8.250 nan 0.000 0.435 38 P HA 0.228 nan 4.420 nan 0.000 0.292 38 P C -1.511 175.121 177.300 -1.113 0.000 1.283 38 P CA -0.459 62.265 63.100 -0.626 0.000 0.835 38 P CB 0.668 32.060 31.700 -0.513 0.000 1.017 39 Y N 1.177 121.182 120.300 -0.492 0.000 2.391 39 Y HA 0.453 5.003 4.550 -0.000 0.000 0.341 39 Y C -0.062 175.459 175.900 -0.632 0.000 0.965 39 Y CA -0.395 57.438 58.100 -0.445 0.000 1.067 39 Y CB 1.840 40.225 38.460 -0.126 0.000 1.199 39 Y HN 0.294 nan 8.280 nan 0.000 0.450 40 Y N 2.382 122.492 120.300 -0.317 0.000 2.468 40 Y HA 0.716 5.266 4.550 -0.000 0.000 0.342 40 Y C -1.022 174.418 175.900 -0.767 0.000 1.021 40 Y CA -1.289 56.627 58.100 -0.307 0.000 1.079 40 Y CB 1.629 40.006 38.460 -0.140 0.000 1.226 40 Y HN 0.385 nan 8.280 nan 0.000 0.460 41 F N 0.183 120.245 119.950 0.186 0.000 2.581 41 F HA 0.636 5.163 4.527 -0.000 0.000 0.311 41 F C -0.328 175.393 175.800 -0.130 0.000 1.113 41 F CA -0.904 57.025 58.000 -0.119 0.000 0.935 41 F CB 2.495 41.388 39.000 -0.178 0.000 1.232 41 F HN 0.411 nan 8.300 nan 0.000 0.445 42 T N -1.539 112.876 114.554 -0.231 0.000 2.903 42 T HA 0.691 5.041 4.350 -0.000 0.000 0.299 42 T C -1.513 173.120 174.700 -0.111 0.000 1.093 42 T CA -0.790 61.339 62.100 0.048 0.000 1.002 42 T CB 2.004 70.933 68.868 0.102 0.000 1.127 42 T HN 0.620 nan 8.240 nan 0.000 0.488 43 W N -0.004 121.381 121.300 0.141 0.000 3.217 43 W HA 0.486 5.146 4.660 -0.000 0.000 0.323 43 W C 0.751 177.284 176.519 0.023 0.000 1.216 43 W CA -0.269 57.118 57.345 0.069 0.000 1.194 43 W CB 1.713 31.215 29.460 0.069 0.000 1.397 43 W HN 1.382 nan 8.180 nan 0.000 0.537 44 G N 1.245 110.117 108.800 0.119 0.000 2.569 44 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.259 44 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.259 44 G C -1.531 173.264 174.900 -0.175 0.000 1.263 44 G CA -0.228 44.790 45.100 -0.137 0.000 0.928 44 G HN 0.560 nan 8.290 nan 0.000 0.572 45 Y N -0.037 120.349 120.300 0.145 0.000 2.429 45 Y HA 0.572 5.122 4.550 -0.000 0.000 0.342 45 Y C 1.320 177.320 175.900 0.166 0.000 1.004 45 Y CA -0.382 57.795 58.100 0.128 0.000 1.075 45 Y CB 2.024 40.526 38.460 0.069 0.000 1.214 45 Y HN 0.800 nan 8.280 nan 0.000 0.455 46 A N 0.849 123.877 122.820 0.347 0.000 1.935 46 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 46 A C 0.236 178.020 177.584 0.334 0.000 1.178 46 A CA 1.212 53.391 52.037 0.237 0.000 0.640 46 A CB 0.094 19.174 19.000 0.134 0.000 0.825 46 A HN 0.674 nan 8.150 nan 0.000 0.447 47 D N -0.966 119.626 120.400 0.319 0.000 2.575 47 D HA 0.409 5.049 4.640 -0.000 0.000 0.250 47 D C 0.660 177.012 176.300 0.087 0.000 1.279 47 D CA -0.432 53.765 54.000 0.327 0.000 0.925 47 D CB 0.915 41.891 40.800 0.294 0.000 1.261 47 D HN 0.144 nan 8.370 nan 0.000 0.567 48 I N 2.272 122.884 120.570 0.069 0.000 2.142 48 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 48 I C 2.465 178.425 176.117 -0.263 0.000 1.078 48 I CA 1.184 62.365 61.300 -0.198 0.000 1.343 48 I CB -0.129 37.722 38.000 -0.249 0.000 1.046 48 I HN 0.447 nan 8.210 nan 0.000 0.405 49 A N 1.148 123.886 122.820 -0.137 0.000 1.883 49 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 49 A C 2.145 179.642 177.584 -0.146 0.000 1.186 49 A CA 1.802 53.758 52.037 -0.136 0.000 0.624 49 A CB -0.515 18.414 19.000 -0.118 0.000 0.822 49 A HN 0.399 nan 8.150 nan 0.000 0.444 50 K N -0.430 119.900 120.400 -0.116 0.000 2.505 50 K HA 0.109 4.429 4.320 -0.000 0.000 0.192 50 K C -0.337 176.167 176.600 -0.159 0.000 1.025 50 K CA 0.175 56.407 56.287 -0.091 0.000 1.086 50 K CB 0.049 32.542 32.500 -0.012 0.000 0.840 50 K HN 0.424 nan 8.250 nan 0.000 0.514 51 K N 1.736 121.915 120.400 -0.369 0.000 3.177 51 K HA -0.191 4.129 4.320 -0.000 0.000 0.266 51 K C -0.617 175.857 176.600 -0.211 0.000 0.937 51 K CA 0.438 56.306 56.287 -0.698 0.000 0.702 51 K CB -0.893 31.326 32.500 -0.469 0.000 1.365 51 K HN 0.199 nan 8.250 nan 0.000 0.466 52 Q N 0.751 120.524 119.800 -0.046 0.000 2.314 52 Q HA 0.173 4.512 4.340 -0.000 0.000 0.257 52 Q C -2.073 174.115 176.000 0.313 0.000 0.975 52 Q CA -1.903 53.978 55.803 0.130 0.000 0.933 52 Q CB 1.015 29.826 28.738 0.122 0.000 1.195 52 Q HN 0.211 nan 8.270 nan 0.000 0.426 53 P HA 0.045 nan 4.420 nan 0.000 0.272 53 P C -0.230 177.202 177.300 0.220 0.000 1.230 53 P CA -0.281 62.997 63.100 0.298 0.000 0.788 53 P CB 0.969 32.781 31.700 0.187 0.000 0.949 54 V N 2.631 122.678 119.914 0.221 0.000 2.555 54 V HA 0.245 4.365 4.120 -0.000 0.000 0.286 54 V C 1.225 177.433 176.094 0.190 0.000 1.044 54 V CA 0.650 63.099 62.300 0.248 0.000 1.026 54 V CB 0.485 32.537 31.823 0.382 0.000 0.981 54 V HN 0.887 nan 8.190 nan 0.000 0.480 55 T N 1.420 116.071 114.554 0.161 0.000 2.742 55 T HA 0.339 4.689 4.350 -0.000 0.000 0.282 55 T C 0.514 175.265 174.700 0.086 0.000 1.025 55 T CA -0.691 61.462 62.100 0.089 0.000 1.020 55 T CB 1.622 70.512 68.868 0.036 0.000 1.317 55 T HN 0.423 nan 8.240 nan 0.000 0.538 56 Q N -0.395 119.394 119.800 -0.019 0.000 2.437 56 Q HA -0.011 4.329 4.340 -0.000 0.000 0.210 56 Q C 1.426 177.372 176.000 -0.089 0.000 0.972 56 Q CA 0.904 56.643 55.803 -0.106 0.000 0.903 56 Q CB 0.054 28.635 28.738 -0.261 0.000 0.967 56 Q HN 0.477 nan 8.270 nan 0.000 0.486 57 Q N -0.458 119.301 119.800 -0.068 0.000 2.219 57 Q HA 0.109 4.449 4.340 -0.000 0.000 0.209 57 Q C -0.127 175.862 176.000 -0.019 0.000 0.854 57 Q CA 0.227 55.959 55.803 -0.119 0.000 0.960 57 Q CB 1.121 29.752 28.738 -0.179 0.000 1.116 57 Q HN 0.146 nan 8.270 nan 0.000 0.500 58 T N 1.820 116.417 114.554 0.073 0.000 2.814 58 T HA 0.257 4.607 4.350 -0.000 0.000 0.297 58 T C 0.069 174.835 174.700 0.110 0.000 0.956 58 T CA -0.109 62.032 62.100 0.068 0.000 1.123 58 T CB 0.461 69.374 68.868 0.074 0.000 0.902 58 T HN -0.016 nan 8.240 nan 0.000 0.528 59 L N 4.210 125.447 121.223 0.025 0.000 2.312 59 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 59 L C -0.419 176.451 176.870 0.000 0.000 1.070 59 L CA -0.036 54.836 54.840 0.054 0.000 0.805 59 L CB 0.417 42.426 42.059 -0.084 0.000 1.174 59 L HN 0.532 nan 8.230 nan 0.000 0.434 60 F N 0.409 120.378 119.950 0.032 0.000 2.538 60 F HA 0.434 4.961 4.527 0.000 0.000 0.325 60 F C 0.428 175.992 175.800 -0.394 0.000 1.066 60 F CA -0.900 57.063 58.000 -0.060 0.000 0.946 60 F CB 1.373 40.477 39.000 0.175 0.000 1.199 60 F HN 0.386 nan 8.300 nan 0.000 0.473 61 E N 2.259 121.944 120.200 -0.858 0.000 2.259 61 E HA 0.194 4.544 4.350 -0.000 0.000 0.281 61 E C 0.438 176.957 176.600 -0.135 0.000 1.037 61 E CA -0.062 56.013 56.400 -0.542 0.000 0.854 61 E CB 0.907 30.151 29.700 -0.760 0.000 1.051 61 E HN 0.604 nan 8.360 nan 0.000 0.409 62 L N 2.763 123.988 121.223 0.002 0.000 2.446 62 L HA 0.096 4.436 4.340 -0.000 0.000 0.219 62 L C 1.397 178.366 176.870 0.164 0.000 1.116 62 L CA 0.487 55.399 54.840 0.120 0.000 0.844 62 L CB -0.745 41.396 42.059 0.137 0.000 0.970 62 L HN 0.898 nan 8.230 nan 0.000 0.457 63 G N 0.714 109.611 108.800 0.162 0.000 2.574 63 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.286 63 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.286 63 G C 0.846 175.895 174.900 0.248 0.000 1.212 63 G CA 0.380 45.608 45.100 0.214 0.000 0.979 63 G HN 0.250 nan 8.290 nan 0.000 0.557 64 S N -0.264 115.580 115.700 0.240 0.000 2.465 64 S HA -0.035 4.435 4.470 -0.000 0.000 0.241 64 S C 2.300 177.032 174.600 0.220 0.000 1.000 64 S CA 1.523 59.883 58.200 0.266 0.000 0.964 64 S CB -0.120 63.257 63.200 0.295 0.000 0.763 64 S HN 0.891 nan 8.310 nan 0.000 0.512 65 V N 2.120 122.150 119.914 0.193 0.000 2.720 65 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 65 V C 2.208 178.425 176.094 0.205 0.000 1.082 65 V CA 1.570 63.965 62.300 0.159 0.000 1.101 65 V CB -0.935 31.004 31.823 0.193 0.000 0.693 65 V HN 0.490 nan 8.190 nan 0.000 0.479 66 S N -0.329 115.523 115.700 0.253 0.000 2.419 66 S HA -0.296 4.174 4.470 -0.000 0.000 0.235 66 S C 1.859 176.640 174.600 0.302 0.000 1.019 66 S CA 1.325 59.715 58.200 0.317 0.000 0.982 66 S CB -0.320 62.993 63.200 0.188 0.000 0.789 66 S HN 0.707 nan 8.310 nan 0.000 0.490 67 Q N 0.670 120.592 119.800 0.203 0.000 2.291 67 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 67 Q C 2.415 178.453 176.000 0.063 0.000 0.976 67 Q CA 1.533 57.433 55.803 0.162 0.000 0.875 67 Q CB -0.527 28.324 28.738 0.188 0.000 0.927 67 Q HN 0.820 nan 8.270 nan 0.000 0.450 68 T N -2.222 112.275 114.554 -0.095 0.000 2.904 68 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 68 T C 1.441 176.159 174.700 0.030 0.000 1.059 68 T CA 0.715 62.574 62.100 -0.401 0.000 1.137 68 T CB -0.309 67.910 68.868 -1.082 0.000 0.879 68 T HN 0.132 nan 8.240 nan 0.000 0.467 69 F N 2.121 122.142 119.950 0.119 0.000 2.163 69 F HA 0.067 4.594 4.527 0.000 0.000 0.297 69 F C 2.988 178.849 175.800 0.101 0.000 1.094 69 F CA 1.207 59.234 58.000 0.045 0.000 1.290 69 F CB -1.063 37.837 39.000 -0.167 0.000 1.017 69 F HN 0.118 nan 8.300 nan 0.000 0.483 70 T N -0.558 114.201 114.554 0.343 0.000 2.746 70 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 70 T C 2.358 177.252 174.700 0.323 0.000 1.039 70 T CA 1.428 63.742 62.100 0.358 0.000 1.142 70 T CB -0.989 68.086 68.868 0.345 0.000 0.866 70 T HN 0.442 nan 8.240 nan 0.000 0.444 71 G N 0.810 109.757 108.800 0.245 0.000 2.402 71 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 71 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 71 G C 1.690 176.738 174.900 0.248 0.000 1.162 71 G CA 0.668 45.900 45.100 0.219 0.000 0.777 71 G HN 0.431 nan 8.290 nan 0.000 0.539 72 V N 0.525 120.599 119.914 0.267 0.000 2.427 72 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 72 V C 2.662 178.874 176.094 0.197 0.000 1.051 72 V CA 1.486 63.953 62.300 0.277 0.000 1.048 72 V CB -0.250 31.838 31.823 0.442 0.000 0.666 72 V HN 0.346 nan 8.190 nan 0.000 0.456 73 L N 1.205 122.521 121.223 0.156 0.000 2.046 73 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 73 L C 2.325 179.216 176.870 0.034 0.000 1.077 73 L CA 2.387 57.241 54.840 0.024 0.000 0.747 73 L CB -1.199 40.796 42.059 -0.108 0.000 0.896 73 L HN 0.268 nan 8.230 nan 0.000 0.432 74 G N -1.174 107.710 108.800 0.139 0.000 2.418 74 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 74 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 74 G C 1.527 176.529 174.900 0.171 0.000 1.158 74 G CA 0.541 45.740 45.100 0.166 0.000 0.771 74 G HN 0.580 nan 8.290 nan 0.000 0.545 75 G N 0.672 109.581 108.800 0.183 0.000 2.440 75 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 75 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 75 G C 1.453 176.407 174.900 0.090 0.000 1.154 75 G CA 1.387 46.572 45.100 0.142 0.000 0.767 75 G HN 0.512 nan 8.290 nan 0.000 0.552 76 D N 0.432 120.874 120.400 0.070 0.000 2.144 76 D HA 0.068 4.708 4.640 -0.000 0.000 0.199 76 D C 2.622 178.925 176.300 0.006 0.000 0.984 76 D CA 1.357 55.376 54.000 0.032 0.000 0.834 76 D CB -0.236 40.574 40.800 0.016 0.000 0.955 76 D HN 0.248 nan 8.370 nan 0.000 0.465 77 A N 0.035 122.848 122.820 -0.011 0.000 1.930 77 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 77 A C 2.310 179.889 177.584 -0.009 0.000 1.175 77 A CA 0.919 52.933 52.037 -0.038 0.000 0.627 77 A CB -0.687 18.255 19.000 -0.098 0.000 0.815 77 A HN 0.370 nan 8.150 nan 0.000 0.443 78 I N -0.153 120.430 120.570 0.021 0.000 2.179 78 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 78 I C 2.959 179.099 176.117 0.037 0.000 1.088 78 I CA 1.095 62.420 61.300 0.041 0.000 1.357 78 I CB -0.363 37.680 38.000 0.073 0.000 1.051 78 I HN 0.345 nan 8.210 nan 0.000 0.409 79 A N 0.840 123.681 122.820 0.036 0.000 1.933 79 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 79 A C 2.292 179.886 177.584 0.017 0.000 1.175 79 A CA 1.418 53.472 52.037 0.028 0.000 0.628 79 A CB -0.571 18.445 19.000 0.027 0.000 0.814 79 A HN 0.347 nan 8.150 nan 0.000 0.444 80 R N -1.243 119.262 120.500 0.009 0.000 2.339 80 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 80 R C 1.277 177.582 176.300 0.010 0.000 1.018 80 R CA 0.512 56.613 56.100 0.002 0.000 1.036 80 R CB -0.267 30.026 30.300 -0.011 0.000 0.899 80 R HN 0.706 nan 8.270 nan 0.000 0.473 81 G N 1.052 109.864 108.800 0.020 0.000 2.153 81 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.252 81 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.252 81 G C 0.504 175.428 174.900 0.040 0.000 0.994 81 G CA 0.606 45.724 45.100 0.030 0.000 0.698 81 G HN 0.466 nan 8.290 nan 0.000 0.521 82 E N -0.652 119.566 120.200 0.031 0.000 2.122 82 E HA 0.251 4.601 4.350 -0.000 0.000 0.190 82 E C 1.552 178.209 176.600 0.096 0.000 0.977 82 E CA 1.117 57.544 56.400 0.045 0.000 0.820 82 E CB 0.203 29.904 29.700 0.002 0.000 0.770 82 E HN 0.898 nan 8.360 nan 0.000 0.462 83 I N -2.533 118.063 120.570 0.043 0.000 3.074 83 I HA 0.500 4.670 4.170 -0.000 0.000 0.310 83 I C -1.231 174.934 176.117 0.079 0.000 1.153 83 I CA -1.234 60.086 61.300 0.034 0.000 0.993 83 I CB 2.276 40.093 38.000 -0.304 0.000 1.237 83 I HN -0.351 nan 8.210 nan 0.000 0.443 84 K N 2.898 123.384 120.400 0.143 0.000 2.378 84 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 84 K C 0.102 176.771 176.600 0.115 0.000 0.931 84 K CA -0.753 55.607 56.287 0.122 0.000 0.794 84 K CB 2.924 35.506 32.500 0.137 0.000 1.181 84 K HN 0.631 nan 8.250 nan 0.000 0.425 85 L N 1.102 122.376 121.223 0.085 0.000 2.362 85 L HA -0.155 4.185 4.340 -0.000 0.000 0.219 85 L C 1.973 178.875 176.870 0.054 0.000 1.134 85 L CA 1.228 56.103 54.840 0.058 0.000 0.807 85 L CB -0.243 41.807 42.059 -0.015 0.000 0.927 85 L HN 0.685 nan 8.230 nan 0.000 0.447 86 S N -2.768 112.976 115.700 0.074 0.000 2.562 86 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 86 S C 0.547 175.218 174.600 0.118 0.000 0.975 86 S CA -0.277 57.966 58.200 0.072 0.000 0.918 86 S CB -0.288 62.951 63.200 0.065 0.000 0.772 86 S HN 0.203 nan 8.310 nan 0.000 0.531 87 D N 3.692 124.197 120.400 0.176 0.000 2.302 87 D HA 0.383 5.023 4.640 -0.000 0.000 0.248 87 D C -2.617 173.843 176.300 0.267 0.000 1.094 87 D CA -1.795 52.346 54.000 0.234 0.000 0.897 87 D CB 0.891 41.920 40.800 0.381 0.000 1.200 87 D HN 0.129 nan 8.370 nan 0.000 0.429 88 P HA 0.007 nan 4.420 nan 0.000 0.267 88 P C 0.786 178.258 177.300 0.286 0.000 1.200 88 P CA 0.075 63.314 63.100 0.232 0.000 0.772 88 P CB 0.588 32.385 31.700 0.163 0.000 0.855 89 T N 0.662 115.403 114.554 0.312 0.000 2.759 89 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 89 T C 1.512 176.349 174.700 0.229 0.000 1.042 89 T CA 1.901 64.180 62.100 0.298 0.000 1.140 89 T CB -0.821 68.224 68.868 0.296 0.000 0.864 89 T HN 0.479 nan 8.240 nan 0.000 0.455 90 T N 1.544 116.188 114.554 0.150 0.000 2.977 90 T HA -0.044 4.306 4.350 -0.000 0.000 0.271 90 T C 1.814 176.535 174.700 0.036 0.000 1.105 90 T CA 0.807 62.945 62.100 0.063 0.000 1.116 90 T CB -0.105 68.784 68.868 0.035 0.000 0.878 90 T HN 0.420 nan 8.240 nan 0.000 0.509 91 K N 0.325 120.719 120.400 -0.009 0.000 2.148 91 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 91 K C 0.978 177.337 176.600 -0.403 0.000 1.050 91 K CA 1.246 57.378 56.287 -0.258 0.000 0.942 91 K CB -0.050 32.182 32.500 -0.447 0.000 0.724 91 K HN 0.447 nan 8.250 nan 0.000 0.446 92 Y N -2.371 117.963 120.300 0.056 0.000 2.458 92 Y HA 0.115 4.665 4.550 -0.000 0.000 0.256 92 Y C 0.165 176.114 175.900 0.081 0.000 1.159 92 Y CA -0.589 57.529 58.100 0.030 0.000 1.261 92 Y CB 0.554 39.003 38.460 -0.018 0.000 1.119 92 Y HN 0.118 nan 8.280 nan 0.000 0.524 93 W N 2.328 123.625 121.300 -0.005 0.000 2.162 93 W HA 0.409 5.069 4.660 -0.000 0.000 0.292 93 W C -2.594 173.872 176.519 -0.089 0.000 0.998 93 W CA -3.700 53.602 57.345 -0.072 0.000 1.570 93 W CB 1.015 30.385 29.460 -0.150 0.000 1.644 93 W HN -0.102 nan 8.180 nan 0.000 0.360 94 P HA -0.222 nan 4.420 nan 0.000 0.217 94 P C 1.053 178.317 177.300 -0.060 0.000 1.148 94 P CA 2.029 65.145 63.100 0.027 0.000 0.828 94 P CB 0.520 32.240 31.700 0.035 0.000 0.783 95 E N -1.129 119.021 120.200 -0.084 0.000 2.418 95 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 95 E C 0.642 176.960 176.600 -0.470 0.000 1.026 95 E CA 0.255 56.525 56.400 -0.216 0.000 0.862 95 E CB -0.730 28.904 29.700 -0.109 0.000 0.799 95 E HN 0.148 nan 8.360 nan 0.000 0.518 96 L N 1.843 122.639 121.223 -0.711 0.000 2.384 96 L HA 0.112 4.452 4.340 -0.000 0.000 0.258 96 L C 0.750 177.395 176.870 -0.375 0.000 1.266 96 L CA 0.364 54.724 54.840 -0.799 0.000 1.162 96 L CB -0.301 41.075 42.059 -1.138 0.000 1.375 96 L HN 0.050 nan 8.230 nan 0.000 0.420 97 T N -0.574 113.845 114.554 -0.226 0.000 3.065 97 T HA 0.336 4.686 4.350 -0.000 0.000 0.252 97 T C 0.942 175.648 174.700 0.011 0.000 1.099 97 T CA 0.224 62.277 62.100 -0.079 0.000 1.063 97 T CB -0.039 68.789 68.868 -0.067 0.000 0.948 97 T HN 0.528 nan 8.240 nan 0.000 0.506 98 A N 2.784 125.634 122.820 0.050 0.000 2.540 98 A HA 0.271 4.591 4.320 -0.000 0.000 0.239 98 A C 1.668 179.366 177.584 0.190 0.000 1.061 98 A CA -0.070 52.048 52.037 0.134 0.000 0.758 98 A CB 0.226 19.348 19.000 0.204 0.000 0.991 98 A HN 0.642 nan 8.150 nan 0.000 0.502 99 K N 1.857 122.316 120.400 0.099 0.000 2.211 99 K HA -0.241 4.079 4.320 -0.000 0.000 0.204 99 K C 1.442 178.076 176.600 0.058 0.000 1.047 99 K CA 1.596 57.926 56.287 0.072 0.000 0.935 99 K CB -0.121 32.392 32.500 0.022 0.000 0.728 99 K HN 0.831 nan 8.250 nan 0.000 0.452 100 Q N 0.447 120.253 119.800 0.010 0.000 2.364 100 Q HA -0.162 4.177 4.340 -0.000 0.000 0.207 100 Q C 0.933 176.839 176.000 -0.157 0.000 0.970 100 Q CA 1.210 56.924 55.803 -0.147 0.000 0.888 100 Q CB -0.495 28.039 28.738 -0.340 0.000 0.951 100 Q HN 0.596 nan 8.270 nan 0.000 0.469 101 W N 1.754 123.101 121.300 0.077 0.000 3.047 101 W HA 0.158 4.817 4.660 -0.000 0.000 0.250 101 W C 0.014 176.591 176.519 0.098 0.000 1.314 101 W CA -0.494 56.922 57.345 0.118 0.000 1.540 101 W CB -0.038 29.476 29.460 0.090 0.000 1.127 101 W HN 0.072 nan 8.180 nan 0.000 0.679 102 N N 0.326 119.153 118.700 0.212 0.000 2.440 102 N HA 0.307 5.047 4.740 -0.000 0.000 0.265 102 N C 1.032 176.627 175.510 0.141 0.000 1.239 102 N CA 1.776 54.920 53.050 0.158 0.000 0.909 102 N CB 0.575 39.121 38.487 0.099 0.000 1.066 102 N HN 0.163 nan 8.380 nan 0.000 0.474 103 G N 1.939 110.844 108.800 0.175 0.000 2.176 103 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 103 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 103 G C 0.066 175.120 174.900 0.257 0.000 0.979 103 G CA -0.396 44.816 45.100 0.187 0.000 0.641 103 G HN 0.519 nan 8.290 nan 0.000 0.530 104 I N 2.649 123.394 120.570 0.293 0.000 2.304 104 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 104 I C 1.057 177.479 176.117 0.508 0.000 1.018 104 I CA 0.034 61.571 61.300 0.394 0.000 1.260 104 I CB 1.376 39.565 38.000 0.314 0.000 1.390 104 I HN 0.293 nan 8.210 nan 0.000 0.475 105 T N 2.997 117.926 114.554 0.624 0.000 2.937 105 T HA 0.469 4.819 4.350 -0.000 0.000 0.283 105 T C 1.205 176.052 174.700 0.245 0.000 1.012 105 T CA -0.871 61.414 62.100 0.308 0.000 0.997 105 T CB 1.471 70.402 68.868 0.105 0.000 1.136 105 T HN 0.414 nan 8.240 nan 0.000 0.551 106 L N 0.334 121.679 121.223 0.203 0.000 2.079 106 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 106 L C 2.556 179.460 176.870 0.057 0.000 1.081 106 L CA 0.990 55.961 54.840 0.219 0.000 0.752 106 L CB -0.799 41.401 42.059 0.235 0.000 0.896 106 L HN 0.610 nan 8.230 nan 0.000 0.433 107 L N -0.265 120.922 121.223 -0.060 0.000 2.012 107 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 107 L C 2.394 179.211 176.870 -0.089 0.000 1.073 107 L CA 1.978 56.704 54.840 -0.190 0.000 0.748 107 L CB -0.673 41.271 42.059 -0.192 0.000 0.891 107 L HN 0.241 nan 8.230 nan 0.000 0.431 108 H N -1.029 118.110 119.070 0.115 0.000 2.352 108 H HA -0.154 4.402 4.556 0.000 0.000 0.299 108 H C 2.241 177.564 175.328 -0.008 0.000 1.097 108 H CA 1.777 57.879 56.048 0.091 0.000 1.311 108 H CB -0.211 29.629 29.762 0.129 0.000 1.377 108 H HN 0.328 nan 8.280 nan 0.000 0.504 109 L N 0.086 121.393 121.223 0.140 0.000 2.017 109 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 109 L C 2.813 179.587 176.870 -0.160 0.000 1.073 109 L CA 0.871 55.754 54.840 0.073 0.000 0.745 109 L CB -0.502 41.677 42.059 0.199 0.000 0.894 109 L HN 0.360 nan 8.230 nan 0.000 0.432 110 A N -0.284 122.273 122.820 -0.439 0.000 1.972 110 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 110 A C 2.085 179.230 177.584 -0.732 0.000 1.169 110 A CA 2.039 53.558 52.037 -0.863 0.000 0.635 110 A CB -0.675 17.447 19.000 -1.462 0.000 0.810 110 A HN 0.523 nan 8.150 nan 0.000 0.446 111 T N -6.269 107.976 114.554 -0.515 0.000 3.129 111 T HA 0.325 4.675 4.350 -0.000 0.000 0.267 111 T C 0.285 174.741 174.700 -0.406 0.000 1.018 111 T CA 0.240 62.065 62.100 -0.458 0.000 0.903 111 T CB -0.794 68.093 68.868 0.032 0.000 1.067 111 T HN 0.675 nan 8.240 nan 0.000 0.549 112 Y N 0.936 121.208 120.300 -0.047 0.000 4.177 112 Y HA -0.278 4.272 4.550 0.000 0.000 0.227 112 Y C 1.171 177.025 175.900 -0.076 0.000 1.154 112 Y CA 0.559 58.631 58.100 -0.047 0.000 1.887 112 Y CB -2.928 35.518 38.460 -0.024 0.000 1.594 112 Y HN 0.593 nan 8.280 nan 0.000 0.668 113 T N -4.175 110.360 114.554 -0.031 0.000 3.215 113 T HA 0.655 5.005 4.350 -0.000 0.000 0.271 113 T C 1.344 176.022 174.700 -0.038 0.000 1.012 113 T CA 0.139 62.154 62.100 -0.142 0.000 0.899 113 T CB 0.801 69.336 68.868 -0.555 0.000 1.089 113 T HN 0.475 nan 8.240 nan 0.000 0.552 114 A N 1.294 124.142 122.820 0.047 0.000 2.121 114 A HA 0.555 4.875 4.320 -0.000 0.000 0.218 114 A C 1.922 179.558 177.584 0.086 0.000 1.154 114 A CA 0.684 52.724 52.037 0.006 0.000 0.679 114 A CB -0.811 18.187 19.000 -0.004 0.000 0.795 114 A HN 1.451 nan 8.150 nan 0.000 0.458 115 G N -3.403 105.527 108.800 0.217 0.000 2.157 115 G HA2 0.394 4.354 3.960 -0.000 0.000 0.114 115 G HA3 0.394 4.354 3.960 -0.000 0.000 0.114 115 G C 0.984 176.182 174.900 0.497 0.000 1.041 115 G CA 0.384 45.706 45.100 0.370 0.000 0.714 115 G HN 1.964 nan 8.290 nan 0.000 0.492 116 G N -0.814 108.298 108.800 0.520 0.000 2.141 116 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.164 116 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.164 116 G C 0.424 175.567 174.900 0.405 0.000 1.009 116 G CA -0.054 45.302 45.100 0.426 0.000 0.677 116 G HN 1.172 nan 8.290 nan 0.000 0.508 117 L N 2.183 123.490 121.223 0.139 0.000 2.514 117 L HA 0.238 4.578 4.340 -0.000 0.000 0.280 117 L C -0.716 176.207 176.870 0.088 0.000 1.223 117 L CA -1.123 53.605 54.840 -0.185 0.000 0.864 117 L CB 0.378 42.283 42.059 -0.256 0.000 1.118 117 L HN 0.113 nan 8.230 nan 0.000 0.494 118 P HA -0.056 nan 4.420 nan 0.000 0.272 118 P C 0.547 177.907 177.300 0.100 0.000 1.230 118 P CA -0.514 62.680 63.100 0.157 0.000 0.788 118 P CB 1.027 32.849 31.700 0.202 0.000 0.949 119 L N 0.751 122.028 121.223 0.090 0.000 2.013 119 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 119 L C 0.880 177.779 176.870 0.048 0.000 1.073 119 L CA 2.085 56.966 54.840 0.068 0.000 0.753 119 L CB -0.685 41.428 42.059 0.090 0.000 0.890 119 L HN 0.398 nan 8.230 nan 0.000 0.432 120 Q N -0.954 118.868 119.800 0.038 0.000 2.413 120 Q HA 0.408 4.748 4.340 -0.000 0.000 0.276 120 Q C -0.927 175.033 176.000 -0.067 0.000 1.099 120 Q CA -0.896 54.912 55.803 0.009 0.000 0.814 120 Q CB 2.087 30.822 28.738 -0.004 0.000 1.379 120 Q HN -0.106 nan 8.270 nan 0.000 0.436 121 V N 2.861 122.695 119.914 -0.133 0.000 2.614 121 V HA 0.152 4.272 4.120 -0.000 0.000 0.291 121 V C -1.976 173.912 176.094 -0.343 0.000 1.049 121 V CA -1.155 60.889 62.300 -0.426 0.000 1.038 121 V CB 0.494 32.101 31.823 -0.359 0.000 0.980 121 V HN 0.599 nan 8.190 nan 0.000 0.481 122 P HA -0.017 nan 4.420 nan 0.000 0.264 122 P C 0.541 177.747 177.300 -0.157 0.000 1.179 122 P CA 0.248 63.213 63.100 -0.225 0.000 0.763 122 P CB 0.447 32.025 31.700 -0.203 0.000 0.806 123 D N 1.642 121.996 120.400 -0.077 0.000 2.182 123 D HA -0.186 4.454 4.640 -0.000 0.000 0.201 123 D C 1.124 177.405 176.300 -0.033 0.000 0.986 123 D CA 1.344 55.320 54.000 -0.040 0.000 0.847 123 D CB 0.107 40.898 40.800 -0.015 0.000 0.942 123 D HN 0.403 nan 8.370 nan 0.000 0.467 124 E N -0.698 119.480 120.200 -0.035 0.000 2.418 124 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 124 E C 0.043 176.631 176.600 -0.019 0.000 1.026 124 E CA 0.026 56.417 56.400 -0.016 0.000 0.862 124 E CB 0.340 30.038 29.700 -0.003 0.000 0.799 124 E HN 0.095 nan 8.360 nan 0.000 0.518 125 V N 1.610 121.489 119.914 -0.057 0.000 2.470 125 V HA 0.023 4.143 4.120 -0.000 0.000 0.276 125 V C 0.748 176.827 176.094 -0.025 0.000 1.040 125 V CA 0.594 62.864 62.300 -0.051 0.000 1.008 125 V CB 1.171 32.903 31.823 -0.151 0.000 0.990 125 V HN 0.147 nan 8.190 nan 0.000 0.477 126 K N 2.254 122.658 120.400 0.007 0.000 2.642 126 K HA 0.190 4.510 4.320 -0.000 0.000 0.214 126 K C 0.901 177.514 176.600 0.023 0.000 1.451 126 K CA 0.309 56.603 56.287 0.011 0.000 0.917 126 K CB 0.091 32.600 32.500 0.014 0.000 1.779 126 K HN 0.683 nan 8.250 nan 0.000 0.447 127 S N 0.981 116.702 115.700 0.035 0.000 2.589 127 S HA -0.013 4.457 4.470 -0.000 0.000 0.265 127 S C 1.251 175.892 174.600 0.068 0.000 1.342 127 S CA 0.038 58.264 58.200 0.043 0.000 1.005 127 S CB 1.262 64.489 63.200 0.046 0.000 0.909 127 S HN 0.320 nan 8.310 nan 0.000 0.555 128 S N 1.277 117.016 115.700 0.064 0.000 2.399 128 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 128 S C 1.886 176.587 174.600 0.169 0.000 1.022 128 S CA 1.137 59.396 58.200 0.098 0.000 0.983 128 S CB -1.073 62.160 63.200 0.054 0.000 0.803 128 S HN 0.655 nan 8.310 nan 0.000 0.480 129 S N 2.170 117.946 115.700 0.127 0.000 2.356 129 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 129 S C 1.620 176.307 174.600 0.145 0.000 1.032 129 S CA 1.502 59.779 58.200 0.128 0.000 1.005 129 S CB -0.629 62.623 63.200 0.086 0.000 0.867 129 S HN 0.562 nan 8.310 nan 0.000 0.449 130 D N 0.966 121.442 120.400 0.126 0.000 2.144 130 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 130 D C 1.878 178.298 176.300 0.200 0.000 0.984 130 D CA 0.588 54.665 54.000 0.130 0.000 0.834 130 D CB -0.413 40.439 40.800 0.085 0.000 0.955 130 D HN 0.199 nan 8.370 nan 0.000 0.465 131 L N 0.532 121.898 121.223 0.239 0.000 2.017 131 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 131 L C 2.185 179.394 176.870 0.566 0.000 1.073 131 L CA 1.110 56.182 54.840 0.387 0.000 0.745 131 L CB -0.644 41.631 42.059 0.360 0.000 0.894 131 L HN 0.012 nan 8.230 nan 0.000 0.432 132 L N -0.453 121.072 121.223 0.502 0.000 2.042 132 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 132 L C 2.643 179.591 176.870 0.130 0.000 1.076 132 L CA 1.762 56.781 54.840 0.298 0.000 0.749 132 L CB -0.634 41.551 42.059 0.211 0.000 0.893 132 L HN 0.212 nan 8.230 nan 0.000 0.432 133 R N -1.567 119.026 120.500 0.155 0.000 2.081 133 R HA -0.200 4.139 4.340 -0.000 0.000 0.235 133 R C 2.235 178.612 176.300 0.128 0.000 1.131 133 R CA 1.766 57.932 56.100 0.111 0.000 0.960 133 R CB -0.724 29.642 30.300 0.112 0.000 0.856 133 R HN 0.434 nan 8.270 nan 0.000 0.436 134 F N 0.591 120.571 119.950 0.051 0.000 2.069 134 F HA -0.273 4.254 4.527 -0.000 0.000 0.298 134 F C 1.686 177.508 175.800 0.037 0.000 1.113 134 F CA 1.489 59.477 58.000 -0.020 0.000 1.214 134 F CB -0.588 38.313 39.000 -0.164 0.000 0.978 134 F HN -0.054 nan 8.300 nan 0.000 0.474 135 Y N 0.432 120.663 120.300 -0.115 0.000 2.242 135 Y HA -0.161 4.389 4.550 0.000 0.000 0.291 135 Y C 2.622 178.620 175.900 0.164 0.000 1.137 135 Y CA 1.487 59.560 58.100 -0.045 0.000 1.181 135 Y CB -0.904 37.521 38.460 -0.060 0.000 0.989 135 Y HN 0.153 nan 8.280 nan 0.000 0.527 136 Q N -0.101 119.772 119.800 0.122 0.000 2.224 136 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 136 Q C 1.084 177.172 176.000 0.148 0.000 0.970 136 Q CA 0.995 56.863 55.803 0.108 0.000 0.865 136 Q CB -0.217 28.507 28.738 -0.024 0.000 0.922 136 Q HN 0.528 nan 8.270 nan 0.000 0.445 137 N N -0.864 117.886 118.700 0.085 0.000 2.280 137 N HA -0.031 4.709 4.740 -0.000 0.000 0.192 137 N C -0.141 175.375 175.510 0.010 0.000 1.109 137 N CA -0.075 52.995 53.050 0.034 0.000 0.855 137 N CB 0.087 38.587 38.487 0.022 0.000 0.974 137 N HN 0.213 nan 8.380 nan 0.000 0.482 138 W N 2.928 124.132 121.300 -0.159 0.000 2.253 138 W HA 0.175 4.835 4.660 -0.000 0.000 0.322 138 W C -0.485 175.931 176.519 -0.171 0.000 1.342 138 W CA -0.018 57.191 57.345 -0.227 0.000 1.218 138 W CB 0.635 29.905 29.460 -0.317 0.000 1.205 138 W HN -0.140 nan 8.180 nan 0.000 0.551 139 Q N 7.379 126.548 119.800 -1.050 0.000 2.333 139 Q HA 0.315 4.655 4.340 -0.000 0.000 0.268 139 Q C -2.126 172.965 176.000 -1.515 0.000 1.007 139 Q CA -2.099 53.053 55.803 -1.086 0.000 0.810 139 Q CB 1.352 29.759 28.738 -0.552 0.000 1.264 139 Q HN 0.351 nan 8.270 nan 0.000 0.452 140 P HA 0.045 nan 4.420 nan 0.000 0.267 140 P C -0.099 176.808 177.300 -0.655 0.000 1.200 140 P CA 0.152 62.602 63.100 -1.083 0.000 0.772 140 P CB 0.780 32.022 31.700 -0.763 0.000 0.855 141 A N 2.134 124.572 122.820 -0.637 0.000 2.147 141 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 141 A C 0.038 176.919 177.584 -1.172 0.000 1.160 141 A CA 0.655 52.083 52.037 -1.014 0.000 0.781 141 A CB -0.137 17.918 19.000 -1.576 0.000 0.842 141 A HN 0.530 nan 8.150 nan 0.000 0.475 142 W N -2.700 118.559 121.300 -0.069 0.000 3.042 142 W HA 0.637 5.297 4.660 -0.000 0.000 0.342 142 W C -0.030 176.438 176.519 -0.085 0.000 1.240 142 W CA -1.268 56.039 57.345 -0.064 0.000 1.166 142 W CB 0.954 30.391 29.460 -0.039 0.000 1.469 142 W HN 0.099 nan 8.180 nan 0.000 0.579 143 A N 2.182 125.095 122.820 0.156 0.000 2.366 143 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 143 A C -2.261 175.338 177.584 0.024 0.000 1.084 143 A CA -0.849 51.215 52.037 0.045 0.000 0.794 143 A CB -0.689 18.338 19.000 0.045 0.000 1.034 143 A HN 0.139 nan 8.150 nan 0.000 0.491 144 P HA 0.295 nan 4.420 nan 0.000 0.269 144 P C 0.815 178.005 177.300 -0.184 0.000 1.209 144 P CA 1.612 64.542 63.100 -0.283 0.000 0.776 144 P CB 0.565 31.986 31.700 -0.466 0.000 0.876 145 G N 1.610 110.281 108.800 -0.213 0.000 2.179 145 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 145 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 145 G C 0.670 175.551 174.900 -0.031 0.000 1.010 145 G CA 0.787 45.924 45.100 0.062 0.000 0.736 145 G HN 0.685 nan 8.290 nan 0.000 0.513 146 T N -5.056 109.433 114.554 -0.109 0.000 2.987 146 T HA 0.439 4.789 4.350 -0.000 0.000 0.248 146 T C 0.551 175.120 174.700 -0.218 0.000 0.997 146 T CA 0.775 62.822 62.100 -0.088 0.000 1.013 146 T CB 0.649 69.505 68.868 -0.019 0.000 1.077 146 T HN 0.281 nan 8.240 nan 0.000 0.483 147 Q N 0.981 120.610 119.800 -0.285 0.000 2.347 147 Q HA 0.470 4.810 4.340 -0.000 0.000 0.271 147 Q C -1.368 174.449 176.000 -0.305 0.000 1.064 147 Q CA -0.509 55.041 55.803 -0.422 0.000 0.800 147 Q CB 3.150 31.343 28.738 -0.908 0.000 1.304 147 Q HN 0.377 nan 8.270 nan 0.000 0.438 148 R N 2.347 122.691 120.500 -0.260 0.000 2.255 148 R HA 0.521 4.861 4.340 -0.000 0.000 0.326 148 R C -1.244 175.040 176.300 -0.028 0.000 0.986 148 R CA -0.571 55.460 56.100 -0.115 0.000 0.847 148 R CB 0.470 30.730 30.300 -0.066 0.000 1.111 148 R HN 0.458 nan 8.270 nan 0.000 0.452 149 L N 5.990 127.266 121.223 0.090 0.000 2.415 149 L HA 0.274 4.614 4.340 -0.000 0.000 0.268 149 L C -1.348 175.573 176.870 0.085 0.000 0.984 149 L CA -0.741 54.174 54.840 0.126 0.000 0.853 149 L CB 1.076 43.298 42.059 0.271 0.000 1.215 149 L HN 0.605 nan 8.230 nan 0.000 0.419 150 Y N 4.839 125.029 120.300 -0.183 0.000 2.810 150 Y HA 0.379 4.929 4.550 -0.000 0.000 0.332 150 Y C 0.017 175.751 175.900 -0.277 0.000 1.243 150 Y CA 0.917 58.694 58.100 -0.539 0.000 1.537 150 Y CB 0.495 38.684 38.460 -0.453 0.000 1.265 150 Y HN 0.819 nan 8.280 nan 0.000 0.572 151 A N 5.809 128.114 122.820 -0.859 0.000 2.491 151 A HA 0.279 4.599 4.320 -0.000 0.000 0.293 151 A C -0.137 177.286 177.584 -0.270 0.000 1.047 151 A CA -0.890 50.946 52.037 -0.335 0.000 0.735 151 A CB 0.841 19.831 19.000 -0.017 0.000 1.281 151 A HN 0.823 nan 8.150 nan 0.000 0.398 152 N N 1.131 119.745 118.700 -0.144 0.000 2.244 152 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 152 N C 1.966 177.528 175.510 0.086 0.000 1.016 152 N CA 1.811 54.870 53.050 0.016 0.000 0.866 152 N CB 0.013 38.588 38.487 0.147 0.000 0.980 152 N HN 0.833 nan 8.380 nan 0.000 0.430 153 S N -0.869 114.896 115.700 0.107 0.000 2.481 153 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 153 S C 2.049 176.807 174.600 0.262 0.000 0.996 153 S CA 0.886 59.218 58.200 0.219 0.000 0.942 153 S CB 0.033 63.378 63.200 0.242 0.000 0.768 153 S HN 0.166 nan 8.310 nan 0.000 0.520 154 S N 1.157 116.959 115.700 0.171 0.000 2.339 154 S HA 0.144 4.614 4.470 -0.000 0.000 0.213 154 S C 1.660 176.335 174.600 0.124 0.000 1.033 154 S CA 0.565 58.858 58.200 0.156 0.000 0.950 154 S CB -0.533 62.772 63.200 0.176 0.000 0.893 154 S HN 0.438 nan 8.310 nan 0.000 0.492 155 I N 2.157 122.797 120.570 0.116 0.000 2.361 155 I HA 0.029 4.199 4.170 -0.000 0.000 0.251 155 I C 2.101 178.282 176.117 0.107 0.000 1.133 155 I CA 1.631 62.982 61.300 0.085 0.000 1.413 155 I CB -1.007 37.056 38.000 0.106 0.000 1.073 155 I HN 0.385 nan 8.210 nan 0.000 0.424 156 G N 0.418 109.252 108.800 0.056 0.000 2.418 156 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 156 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 156 G C 1.605 176.455 174.900 -0.084 0.000 1.158 156 G CA 1.027 46.096 45.100 -0.051 0.000 0.771 156 G HN 0.438 nan 8.290 nan 0.000 0.545 157 L N -0.256 120.967 121.223 -0.000 0.000 2.093 157 L HA 0.146 4.486 4.340 -0.000 0.000 0.208 157 L C 2.418 179.232 176.870 -0.092 0.000 1.085 157 L CA 1.467 56.245 54.840 -0.102 0.000 0.755 157 L CB -0.733 41.222 42.059 -0.173 0.000 0.904 157 L HN 0.230 nan 8.230 nan 0.000 0.435 158 F N 0.417 120.295 119.950 -0.121 0.000 2.095 158 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 158 F C 2.184 177.911 175.800 -0.121 0.000 1.104 158 F CA 1.855 59.787 58.000 -0.114 0.000 1.232 158 F CB -1.027 37.915 39.000 -0.096 0.000 0.987 158 F HN 0.117 nan 8.300 nan 0.000 0.475 159 G N -0.320 108.368 108.800 -0.186 0.000 2.418 159 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 159 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 159 G C 1.826 176.563 174.900 -0.271 0.000 1.158 159 G CA 0.916 45.874 45.100 -0.237 0.000 0.771 159 G HN 0.660 nan 8.290 nan 0.000 0.545 160 A N 0.510 123.115 122.820 -0.360 0.000 1.902 160 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 160 A C 2.415 179.818 177.584 -0.302 0.000 1.181 160 A CA 1.316 53.161 52.037 -0.320 0.000 0.623 160 A CB -0.339 18.436 19.000 -0.376 0.000 0.818 160 A HN 0.365 nan 8.150 nan 0.000 0.443 161 L N -1.148 119.864 121.223 -0.351 0.000 2.179 161 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 161 L C 2.992 179.623 176.870 -0.400 0.000 1.096 161 L CA 0.732 55.379 54.840 -0.322 0.000 0.779 161 L CB -0.598 41.312 42.059 -0.248 0.000 0.922 161 L HN 0.409 nan 8.230 nan 0.000 0.443 162 A N 0.530 123.014 122.820 -0.560 0.000 1.978 162 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 162 A C 2.177 179.555 177.584 -0.343 0.000 1.170 162 A CA 1.985 53.657 52.037 -0.607 0.000 0.636 162 A CB -0.708 17.780 19.000 -0.852 0.000 0.810 162 A HN 0.349 nan 8.150 nan 0.000 0.448 163 V N -3.403 116.372 119.914 -0.230 0.000 3.608 163 V HA 0.099 4.219 4.120 -0.000 0.000 0.269 163 V C 1.654 177.680 176.094 -0.112 0.000 1.245 163 V CA 1.232 63.442 62.300 -0.150 0.000 1.138 163 V CB -0.469 31.293 31.823 -0.102 0.000 0.841 163 V HN 0.426 nan 8.190 nan 0.000 0.451 164 K N 1.185 121.519 120.400 -0.110 0.000 2.063 164 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 164 K C -0.015 176.580 176.600 -0.008 0.000 1.048 164 K CA 2.070 58.323 56.287 -0.056 0.000 0.928 164 K CB -1.409 31.071 32.500 -0.034 0.000 0.713 164 K HN 0.457 nan 8.250 nan 0.000 0.442 165 P HA -0.187 nan 4.420 nan 0.000 0.216 165 P C 1.341 178.640 177.300 -0.002 0.000 1.150 165 P CA 1.608 64.736 63.100 0.047 0.000 0.837 165 P CB 0.004 31.757 31.700 0.089 0.000 0.786 166 S N -1.763 113.917 115.700 -0.034 0.000 2.474 166 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 166 S C 1.880 176.451 174.600 -0.047 0.000 0.997 166 S CA 0.989 59.160 58.200 -0.047 0.000 0.949 166 S CB -1.426 61.728 63.200 -0.076 0.000 0.766 166 S HN 0.302 nan 8.310 nan 0.000 0.517 167 G N 0.671 109.444 108.800 -0.044 0.000 2.212 167 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.266 167 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.266 167 G C 0.027 174.895 174.900 -0.053 0.000 0.978 167 G CA 0.573 45.647 45.100 -0.042 0.000 0.632 167 G HN 0.582 nan 8.290 nan 0.000 0.537 168 L N 1.556 122.737 121.223 -0.069 0.000 2.421 168 L HA 0.579 4.919 4.340 -0.000 0.000 0.263 168 L C 1.502 178.326 176.870 -0.078 0.000 1.122 168 L CA -0.229 54.563 54.840 -0.081 0.000 0.804 168 L CB 1.228 43.221 42.059 -0.110 0.000 1.150 168 L HN 0.393 nan 8.230 nan 0.000 0.457 169 S N 0.215 115.873 115.700 -0.070 0.000 2.608 169 S HA 0.084 4.554 4.470 -0.000 0.000 0.261 169 S C 0.784 175.352 174.600 -0.053 0.000 1.314 169 S CA -0.393 57.781 58.200 -0.043 0.000 0.992 169 S CB 0.521 63.703 63.200 -0.031 0.000 0.935 169 S HN 0.535 nan 8.310 nan 0.000 0.564 170 F N 1.068 120.928 119.950 -0.151 0.000 2.134 170 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 170 F C 2.503 178.188 175.800 -0.192 0.000 1.097 170 F CA 2.120 60.013 58.000 -0.178 0.000 1.264 170 F CB -0.454 38.440 39.000 -0.177 0.000 1.001 170 F HN 0.939 nan 8.300 nan 0.000 0.479 171 E N -0.547 119.606 120.200 -0.077 0.000 2.051 171 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 171 E C 2.239 178.679 176.600 -0.266 0.000 0.991 171 E CA 1.263 57.564 56.400 -0.165 0.000 0.799 171 E CB -0.207 29.485 29.700 -0.013 0.000 0.748 171 E HN 0.397 nan 8.360 nan 0.000 0.449 172 Q N -0.023 119.664 119.800 -0.189 0.000 2.084 172 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 172 Q C 2.152 177.991 176.000 -0.269 0.000 0.978 172 Q CA 1.408 57.100 55.803 -0.186 0.000 0.844 172 Q CB -0.288 28.377 28.738 -0.121 0.000 0.898 172 Q HN 0.400 nan 8.270 nan 0.000 0.426 173 A N 0.691 123.317 122.820 -0.322 0.000 1.858 173 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 173 A C 2.135 179.422 177.584 -0.495 0.000 1.190 173 A CA 1.917 53.736 52.037 -0.363 0.000 0.617 173 A CB -0.556 18.217 19.000 -0.379 0.000 0.827 173 A HN 0.365 nan 8.150 nan 0.000 0.443 174 M N -0.075 119.083 119.600 -0.736 0.000 2.080 174 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 174 M C 2.182 177.891 176.300 -0.984 0.000 1.068 174 M CA 2.124 56.848 55.300 -0.960 0.000 1.109 174 M CB -0.575 31.270 32.600 -1.257 0.000 1.342 174 M HN 0.542 nan 8.290 nan 0.000 0.405 175 Q N -1.094 118.264 119.800 -0.737 0.000 2.050 175 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 175 Q C 1.983 177.809 176.000 -0.291 0.000 0.980 175 Q CA 2.337 57.865 55.803 -0.458 0.000 0.840 175 Q CB -0.601 27.969 28.738 -0.281 0.000 0.898 175 Q HN 0.773 nan 8.270 nan 0.000 0.424 176 T N -1.674 112.725 114.554 -0.257 0.000 2.985 176 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 176 T C 1.714 176.322 174.700 -0.153 0.000 1.076 176 T CA 0.604 62.602 62.100 -0.171 0.000 1.135 176 T CB 0.027 68.811 68.868 -0.140 0.000 0.890 176 T HN 0.142 nan 8.240 nan 0.000 0.480 177 R N -0.138 120.241 120.500 -0.201 0.000 2.282 177 R HA 0.389 4.729 4.340 -0.000 0.000 0.195 177 R C 1.549 177.784 176.300 -0.108 0.000 0.909 177 R CA 0.210 56.223 56.100 -0.144 0.000 1.039 177 R CB 0.429 30.636 30.300 -0.156 0.000 1.015 177 R HN 0.295 nan 8.270 nan 0.000 0.513 178 V N -0.984 118.827 119.914 -0.170 0.000 3.134 178 V HA 0.025 4.145 4.120 -0.000 0.000 0.222 178 V C 1.370 177.520 176.094 0.093 0.000 1.247 178 V CA 0.442 62.720 62.300 -0.037 0.000 1.281 178 V CB -0.325 31.442 31.823 -0.093 0.000 1.169 178 V HN -0.032 nan 8.190 nan 0.000 0.512 179 F N 1.578 121.434 119.950 -0.155 0.000 2.069 179 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 179 F C 2.623 178.327 175.800 -0.160 0.000 1.113 179 F CA 1.617 59.492 58.000 -0.208 0.000 1.214 179 F CB -1.284 37.484 39.000 -0.388 0.000 0.978 179 F HN 0.200 nan 8.300 nan 0.000 0.474 180 Q N -0.308 119.511 119.800 0.031 0.000 2.050 180 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 180 Q C -0.349 175.649 176.000 -0.003 0.000 0.980 180 Q CA 1.735 57.522 55.803 -0.027 0.000 0.840 180 Q CB -1.455 27.244 28.738 -0.065 0.000 0.898 180 Q HN 0.287 nan 8.270 nan 0.000 0.424 181 P HA -0.130 nan 4.420 nan 0.000 0.220 181 P C 0.583 177.911 177.300 0.047 0.000 1.148 181 P CA 1.145 64.258 63.100 0.020 0.000 0.803 181 P CB 0.096 31.809 31.700 0.021 0.000 0.782 182 L N -1.358 119.917 121.223 0.088 0.000 2.611 182 L HA 0.173 4.513 4.340 -0.000 0.000 0.229 182 L C 0.349 177.268 176.870 0.081 0.000 1.137 182 L CA 0.059 54.969 54.840 0.116 0.000 0.901 182 L CB -0.607 41.591 42.059 0.231 0.000 1.098 182 L HN -0.061 nan 8.230 nan 0.000 0.456 183 K N 0.823 121.245 120.400 0.036 0.000 3.071 183 K HA -0.169 4.151 4.320 -0.000 0.000 0.265 183 K C -0.280 176.309 176.600 -0.018 0.000 1.060 183 K CA 0.392 56.678 56.287 -0.001 0.000 0.767 183 K CB -1.725 30.781 32.500 0.010 0.000 1.241 183 K HN 0.326 nan 8.250 nan 0.000 0.486 184 L N 1.341 122.538 121.223 -0.044 0.000 2.387 184 L HA 0.127 4.467 4.340 -0.000 0.000 0.267 184 L C 1.000 177.705 176.870 -0.274 0.000 1.197 184 L CA -0.506 54.257 54.840 -0.128 0.000 1.070 184 L CB 0.165 42.109 42.059 -0.191 0.000 1.349 184 L HN 0.150 nan 8.230 nan 0.000 0.422 185 N N 0.472 119.028 118.700 -0.241 0.000 2.461 185 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 185 N C 0.604 175.671 175.510 -0.739 0.000 1.134 185 N CA 0.686 53.475 53.050 -0.434 0.000 0.878 185 N CB 0.180 38.445 38.487 -0.371 0.000 0.972 185 N HN 0.509 nan 8.380 nan 0.000 0.456 186 H N -0.984 117.993 119.070 -0.154 0.000 2.651 186 H HA 0.268 4.824 4.556 -0.000 0.000 0.241 186 H C -0.384 174.847 175.328 -0.162 0.000 1.225 186 H CA -0.103 55.918 56.048 -0.043 0.000 0.942 186 H CB 0.358 30.119 29.762 -0.001 0.000 1.996 186 H HN -0.136 nan 8.280 nan 0.000 0.600 187 T N 0.860 115.113 114.554 -0.502 0.000 2.812 187 T HA 0.347 4.697 4.350 -0.000 0.000 0.282 187 T C -0.717 173.312 174.700 -1.119 0.000 0.990 187 T CA -0.450 61.171 62.100 -0.798 0.000 0.960 187 T CB 1.445 69.590 68.868 -1.204 0.000 0.948 187 T HN 0.225 nan 8.240 nan 0.000 0.438 188 W N 1.659 122.638 121.300 -0.536 0.000 3.107 188 W HA 0.568 5.228 4.660 0.000 0.000 0.331 188 W C 0.613 177.003 176.519 -0.215 0.000 1.204 188 W CA -0.814 56.354 57.345 -0.295 0.000 1.184 188 W CB 1.182 30.483 29.460 -0.264 0.000 1.421 188 W HN 0.485 nan 8.180 nan 0.000 0.544 189 I N 1.326 122.013 120.570 0.195 0.000 2.556 189 I HA -0.014 4.156 4.170 -0.000 0.000 0.251 189 I C 0.291 176.442 176.117 0.056 0.000 1.105 189 I CA 0.749 62.106 61.300 0.095 0.000 1.436 189 I CB -0.007 38.061 38.000 0.113 0.000 1.139 189 I HN 0.265 nan 8.210 nan 0.000 0.438 190 N N 1.509 120.284 118.700 0.126 0.000 2.476 190 N HA 0.232 4.972 4.740 -0.000 0.000 0.257 190 N C -0.814 174.640 175.510 -0.093 0.000 0.970 190 N CA -0.188 52.868 53.050 0.011 0.000 0.938 190 N CB 2.448 40.949 38.487 0.023 0.000 1.144 190 N HN -0.191 nan 8.380 nan 0.000 0.500 191 V N 5.021 124.780 119.914 -0.259 0.000 2.450 191 V HA 0.102 4.222 4.120 -0.000 0.000 0.281 191 V C -1.426 174.355 176.094 -0.521 0.000 1.019 191 V CA -0.818 61.189 62.300 -0.489 0.000 1.062 191 V CB 0.109 31.602 31.823 -0.551 0.000 0.979 191 V HN 0.507 nan 8.190 nan 0.000 0.477 192 P HA 0.268 nan 4.420 nan 0.000 0.274 192 P C -2.300 174.771 177.300 -0.380 0.000 1.246 192 P CA -1.846 60.888 63.100 -0.610 0.000 0.795 192 P CB 0.584 31.759 31.700 -0.876 0.000 1.006 193 P HA -0.219 nan 4.420 nan 0.000 0.216 193 P C 1.477 178.696 177.300 -0.135 0.000 1.154 193 P CA 2.405 65.418 63.100 -0.145 0.000 0.865 193 P CB -0.512 31.126 31.700 -0.104 0.000 0.789 194 A N -0.461 122.263 122.820 -0.161 0.000 2.070 194 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 194 A C 1.952 179.475 177.584 -0.102 0.000 1.159 194 A CA 1.444 53.415 52.037 -0.109 0.000 0.656 194 A CB -0.711 18.234 19.000 -0.091 0.000 0.800 194 A HN 0.134 nan 8.150 nan 0.000 0.453 195 E N -0.589 119.504 120.200 -0.177 0.000 2.481 195 E HA 0.010 4.360 4.350 -0.000 0.000 0.198 195 E C 1.259 177.804 176.600 -0.091 0.000 1.027 195 E CA 0.077 56.396 56.400 -0.135 0.000 0.900 195 E CB 0.039 29.599 29.700 -0.234 0.000 0.993 195 E HN 0.750 nan 8.360 nan 0.000 0.482 196 E N 1.482 121.635 120.200 -0.079 0.000 2.118 196 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 196 E C 1.978 178.594 176.600 0.026 0.000 0.992 196 E CA 1.395 57.793 56.400 -0.004 0.000 0.804 196 E CB -0.162 29.536 29.700 -0.003 0.000 0.741 196 E HN 0.229 nan 8.360 nan 0.000 0.458 197 K N 0.571 120.980 120.400 0.015 0.000 2.360 197 K HA -0.134 4.186 4.320 -0.000 0.000 0.201 197 K C 1.021 177.643 176.600 0.037 0.000 1.046 197 K CA 1.700 58.007 56.287 0.032 0.000 0.945 197 K CB -0.156 32.358 32.500 0.024 0.000 0.750 197 K HN 0.093 nan 8.250 nan 0.000 0.464 198 N N -0.536 118.182 118.700 0.029 0.000 2.299 198 N HA -0.006 4.734 4.740 -0.000 0.000 0.187 198 N C -0.699 174.844 175.510 0.056 0.000 1.099 198 N CA -0.366 52.701 53.050 0.029 0.000 0.867 198 N CB 0.243 38.734 38.487 0.007 0.000 0.974 198 N HN 0.195 nan 8.380 nan 0.000 0.477 199 Y N 2.331 122.552 120.300 -0.131 0.000 2.486 199 Y HA 0.316 4.866 4.550 0.000 0.000 0.348 199 Y C 0.367 176.162 175.900 -0.176 0.000 1.000 199 Y CA -1.356 56.622 58.100 -0.203 0.000 1.253 199 Y CB 0.249 38.524 38.460 -0.308 0.000 1.140 199 Y HN -0.009 nan 8.280 nan 0.000 0.526 200 A N 6.100 128.955 122.820 0.059 0.000 2.406 200 A HA 0.044 4.364 4.320 -0.000 0.000 0.243 200 A C -1.161 176.418 177.584 -0.008 0.000 1.082 200 A CA -0.246 51.794 52.037 0.004 0.000 0.786 200 A CB 0.319 19.267 19.000 -0.088 0.000 1.029 200 A HN 0.933 nan 8.150 nan 0.000 0.495 201 W N 0.060 121.373 121.300 0.021 0.000 2.376 201 W HA 0.501 5.161 4.660 0.000 0.000 0.322 201 W C 0.831 177.040 176.519 -0.516 0.000 1.160 201 W CA 0.391 57.557 57.345 -0.298 0.000 1.218 201 W CB 1.336 30.466 29.460 -0.550 0.000 1.205 201 W HN 0.932 nan 8.180 nan 0.000 0.559 202 G N 1.445 110.014 108.800 -0.386 0.000 2.476 202 G HA2 0.492 4.452 3.960 -0.000 0.000 0.286 202 G HA3 0.492 4.452 3.960 -0.000 0.000 0.286 202 G C -2.122 172.385 174.900 -0.655 0.000 1.177 202 G CA -0.417 44.159 45.100 -0.874 0.000 0.870 202 G HN 0.434 nan 8.290 nan 0.000 0.528 203 Y N -0.237 119.962 120.300 -0.170 0.000 2.346 203 Y HA 0.532 5.082 4.550 -0.000 0.000 0.332 203 Y C 0.408 176.294 175.900 -0.024 0.000 0.985 203 Y CA -0.805 57.260 58.100 -0.058 0.000 1.112 203 Y CB 2.345 40.780 38.460 -0.042 0.000 1.170 203 Y HN 0.468 nan 8.280 nan 0.000 0.447 204 R N 2.811 123.369 120.500 0.096 0.000 2.473 204 R HA 0.315 4.655 4.340 -0.000 0.000 0.303 204 R C -0.755 175.587 176.300 0.070 0.000 1.002 204 R CA -0.416 55.730 56.100 0.077 0.000 0.884 204 R CB 0.665 30.996 30.300 0.052 0.000 1.173 204 R HN 0.920 nan 8.270 nan 0.000 0.464 205 E N 2.563 122.805 120.200 0.069 0.000 2.389 205 E HA -0.261 4.089 4.350 -0.000 0.000 0.243 205 E C 0.656 177.288 176.600 0.053 0.000 1.154 205 E CA 0.889 57.318 56.400 0.050 0.000 0.723 205 E CB -1.112 28.608 29.700 0.034 0.000 1.261 205 E HN 1.187 nan 8.360 nan 0.000 0.390 206 G N -0.489 108.363 108.800 0.087 0.000 2.234 206 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.260 206 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.260 206 G C 0.236 175.227 174.900 0.151 0.000 0.987 206 G CA 0.775 45.934 45.100 0.097 0.000 0.625 206 G HN 0.280 nan 8.290 nan 0.000 0.532 207 K N 0.945 121.404 120.400 0.097 0.000 2.172 207 K HA 0.681 5.001 4.320 -0.000 0.000 0.276 207 K C 0.446 176.988 176.600 -0.096 0.000 1.013 207 K CA -0.005 56.288 56.287 0.011 0.000 0.913 207 K CB 1.755 34.233 32.500 -0.036 0.000 1.055 207 K HN 0.477 nan 8.250 nan 0.000 0.461 208 A N 2.489 125.131 122.820 -0.296 0.000 2.454 208 A HA 0.375 4.695 4.320 -0.000 0.000 0.260 208 A C 0.017 177.398 177.584 -0.337 0.000 1.106 208 A CA -0.400 51.237 52.037 -0.666 0.000 0.780 208 A CB -0.187 18.212 19.000 -1.001 0.000 1.044 208 A HN 0.546 nan 8.150 nan 0.000 0.498 209 V N 0.938 120.788 119.914 -0.107 0.000 3.049 209 V HA 0.695 4.815 4.120 -0.000 0.000 0.309 209 V C -0.689 175.511 176.094 0.177 0.000 1.148 209 V CA -0.863 61.489 62.300 0.086 0.000 0.990 209 V CB 1.304 33.158 31.823 0.052 0.000 1.039 209 V HN 0.963 nan 8.190 nan 0.000 0.430 210 H N 0.246 119.434 119.070 0.196 0.000 2.731 210 H HA 0.680 5.236 4.556 0.000 0.000 0.368 210 H C -0.558 174.863 175.328 0.155 0.000 1.168 210 H CA -1.001 55.105 56.048 0.097 0.000 1.181 210 H CB 2.315 31.995 29.762 -0.137 0.000 1.743 210 H HN 0.784 nan 8.280 nan 0.000 0.547 211 V N 2.384 122.491 119.914 0.321 0.000 2.694 211 V HA -0.029 4.091 4.120 -0.000 0.000 0.306 211 V C -0.148 176.069 176.094 0.205 0.000 1.054 211 V CA 0.394 62.836 62.300 0.237 0.000 1.161 211 V CB 0.669 32.636 31.823 0.240 0.000 0.916 211 V HN 0.746 nan 8.190 nan 0.000 0.490 212 S N 8.272 124.073 115.700 0.169 0.000 2.601 212 S HA 0.446 4.916 4.470 -0.000 0.000 0.271 212 S C -2.223 172.471 174.600 0.156 0.000 1.305 212 S CA -0.711 57.574 58.200 0.142 0.000 1.022 212 S CB 0.985 64.248 63.200 0.105 0.000 0.940 212 S HN 0.870 nan 8.310 nan 0.000 0.525 213 P HA 0.419 nan 4.420 nan 0.000 0.269 213 P C -0.173 177.189 177.300 0.103 0.000 1.215 213 P CA -0.196 62.961 63.100 0.095 0.000 0.780 213 P CB 0.410 32.145 31.700 0.059 0.000 0.898 214 G N -0.506 108.347 108.800 0.088 0.000 2.632 214 G HA2 0.531 4.491 3.960 -0.000 0.000 0.292 214 G HA3 0.531 4.491 3.960 -0.000 0.000 0.292 214 G C -1.387 173.522 174.900 0.015 0.000 1.465 214 G CA -0.397 44.757 45.100 0.090 0.000 0.824 214 G HN 0.535 nan 8.290 nan 0.000 0.509 215 A N 0.369 123.188 122.820 -0.001 0.000 2.511 215 A HA 0.554 4.874 4.320 -0.000 0.000 0.242 215 A C 1.448 178.987 177.584 -0.075 0.000 1.069 215 A CA 0.511 52.526 52.037 -0.037 0.000 0.763 215 A CB -0.340 18.640 19.000 -0.033 0.000 1.001 215 A HN 1.774 nan 8.150 nan 0.000 0.498 216 L N 0.373 121.517 121.223 -0.133 0.000 4.179 216 L HA -0.325 4.015 4.340 -0.000 0.000 0.418 216 L C 1.154 177.790 176.870 -0.391 0.000 1.168 216 L CA 0.713 55.418 54.840 -0.224 0.000 0.972 216 L CB -1.725 40.263 42.059 -0.118 0.000 2.005 216 L HN 1.010 nan 8.230 nan 0.000 0.935 217 D N 0.040 120.171 120.400 -0.448 0.000 2.117 217 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 217 D C 1.970 177.840 176.300 -0.718 0.000 0.982 217 D CA 1.358 54.804 54.000 -0.923 0.000 0.828 217 D CB -0.106 40.383 40.800 -0.517 0.000 0.967 217 D HN 0.432 nan 8.370 nan 0.000 0.464 218 A N 0.938 123.512 122.820 -0.410 0.000 1.883 218 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 218 A C 2.139 179.498 177.584 -0.374 0.000 1.186 218 A CA 2.047 53.928 52.037 -0.261 0.000 0.624 218 A CB -0.752 18.175 19.000 -0.122 0.000 0.822 218 A HN 0.211 nan 8.150 nan 0.000 0.444 219 E N -0.300 119.466 120.200 -0.723 0.000 2.150 219 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 219 E C 1.975 178.382 176.600 -0.322 0.000 0.985 219 E CA 1.347 57.230 56.400 -0.861 0.000 0.814 219 E CB -0.266 28.884 29.700 -0.917 0.000 0.752 219 E HN 0.604 nan 8.360 nan 0.000 0.466 220 A N -0.363 122.279 122.820 -0.298 0.000 2.085 220 A HA 0.099 4.419 4.320 -0.000 0.000 0.208 220 A C 0.574 178.219 177.584 0.101 0.000 1.191 220 A CA 0.483 52.482 52.037 -0.064 0.000 0.799 220 A CB 0.023 19.037 19.000 0.023 0.000 0.877 220 A HN 0.400 nan 8.150 nan 0.000 0.473 221 Y N -4.008 116.313 120.300 0.035 0.000 3.023 221 Y HA 0.505 5.055 4.550 -0.000 0.000 0.233 221 Y C 0.807 176.730 175.900 0.038 0.000 0.994 221 Y CA -0.603 57.534 58.100 0.062 0.000 1.141 221 Y CB -0.440 38.064 38.460 0.073 0.000 1.242 221 Y HN -0.032 nan 8.280 nan 0.000 0.667 222 G N 0.453 109.219 108.800 -0.057 0.000 2.939 222 G HA2 0.277 4.237 3.960 -0.000 0.000 0.210 222 G HA3 0.277 4.237 3.960 -0.000 0.000 0.210 222 G C -0.072 174.818 174.900 -0.018 0.000 1.160 222 G CA 0.195 45.266 45.100 -0.048 0.000 0.770 222 G HN 0.151 nan 8.290 nan 0.000 0.543 223 V N 0.746 120.647 119.914 -0.022 0.000 2.546 223 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 223 V C -0.360 175.638 176.094 -0.161 0.000 1.050 223 V CA -0.487 61.737 62.300 -0.128 0.000 0.981 223 V CB 1.401 33.057 31.823 -0.279 0.000 0.990 223 V HN 0.104 nan 8.190 nan 0.000 0.474 224 K N 2.611 122.869 120.400 -0.237 0.000 2.270 224 K HA 0.789 5.109 4.320 -0.000 0.000 0.255 224 K C -0.474 175.982 176.600 -0.239 0.000 0.936 224 K CA -0.173 55.955 56.287 -0.265 0.000 0.809 224 K CB 1.981 34.195 32.500 -0.478 0.000 1.131 224 K HN 0.717 nan 8.250 nan 0.000 0.427 225 S N 0.309 115.940 115.700 -0.114 0.000 2.625 225 S HA 0.640 5.110 4.470 -0.000 0.000 0.271 225 S C -1.158 173.508 174.600 0.109 0.000 1.161 225 S CA -0.704 57.447 58.200 -0.082 0.000 0.820 225 S CB 0.959 64.071 63.200 -0.147 0.000 1.137 225 S HN 0.674 nan 8.310 nan 0.000 0.470 226 T N 0.281 114.901 114.554 0.111 0.000 2.944 226 T HA 0.528 4.878 4.350 -0.000 0.000 0.284 226 T C 1.271 176.080 174.700 0.181 0.000 1.010 226 T CA -0.565 61.651 62.100 0.192 0.000 1.025 226 T CB 0.872 69.800 68.868 0.101 0.000 1.079 226 T HN 0.447 nan 8.240 nan 0.000 0.516 227 I N 0.885 121.574 120.570 0.198 0.000 2.286 227 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 227 I C 2.361 178.614 176.117 0.226 0.000 1.115 227 I CA 1.551 62.974 61.300 0.204 0.000 1.392 227 I CB -0.557 37.582 38.000 0.233 0.000 1.065 227 I HN 0.830 nan 8.210 nan 0.000 0.418 228 E N -0.071 120.161 120.200 0.054 0.000 2.047 228 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 228 E C 1.767 178.464 176.600 0.161 0.000 0.987 228 E CA 1.466 57.898 56.400 0.052 0.000 0.799 228 E CB -0.235 29.383 29.700 -0.138 0.000 0.752 228 E HN 0.481 nan 8.360 nan 0.000 0.449 229 D N 0.245 120.718 120.400 0.121 0.000 2.144 229 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 229 D C 1.837 178.260 176.300 0.205 0.000 0.984 229 D CA 0.980 55.051 54.000 0.118 0.000 0.834 229 D CB -0.029 40.782 40.800 0.018 0.000 0.955 229 D HN 0.077 nan 8.370 nan 0.000 0.465 230 M N 0.161 119.898 119.600 0.228 0.000 2.229 230 M HA 0.030 4.510 4.480 -0.000 0.000 0.264 230 M C 2.175 178.660 176.300 0.309 0.000 1.063 230 M CA 0.565 56.056 55.300 0.320 0.000 1.114 230 M CB -0.956 31.812 32.600 0.280 0.000 1.387 230 M HN -0.031 nan 8.290 nan 0.000 0.420 231 A N -0.164 122.817 122.820 0.268 0.000 1.930 231 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 231 A C 2.379 180.045 177.584 0.136 0.000 1.175 231 A CA 1.638 53.791 52.037 0.193 0.000 0.627 231 A CB -0.636 18.507 19.000 0.238 0.000 0.815 231 A HN 0.457 nan 8.150 nan 0.000 0.443 232 R N -1.390 119.220 120.500 0.183 0.000 2.090 232 R HA -0.133 4.207 4.340 -0.000 0.000 0.228 232 R C 2.108 178.524 176.300 0.194 0.000 1.110 232 R CA 1.274 57.462 56.100 0.146 0.000 0.973 232 R CB -0.346 30.045 30.300 0.152 0.000 0.869 232 R HN 0.833 nan 8.270 nan 0.000 0.440 233 W N 0.492 121.820 121.300 0.046 0.000 2.355 233 W HA -0.193 4.467 4.660 0.000 0.000 0.309 233 W C 1.381 177.841 176.519 -0.098 0.000 1.206 233 W CA 1.148 58.508 57.345 0.025 0.000 1.284 233 W CB -0.065 29.459 29.460 0.108 0.000 1.145 233 W HN -0.052 nan 8.180 nan 0.000 0.502 234 V N 1.526 121.385 119.914 -0.093 0.000 2.295 234 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 234 V C 2.421 178.184 176.094 -0.551 0.000 1.049 234 V CA 2.350 64.382 62.300 -0.447 0.000 1.024 234 V CB -1.113 30.578 31.823 -0.220 0.000 0.648 234 V HN 0.258 nan 8.190 nan 0.000 0.447 235 Q N -0.191 119.436 119.800 -0.288 0.000 2.096 235 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 235 Q C 2.481 178.299 176.000 -0.302 0.000 0.982 235 Q CA 2.064 57.712 55.803 -0.258 0.000 0.850 235 Q CB -0.308 28.353 28.738 -0.129 0.000 0.901 235 Q HN 0.619 nan 8.270 nan 0.000 0.422 236 S N 0.823 116.360 115.700 -0.273 0.000 2.382 236 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 236 S C 1.528 175.870 174.600 -0.429 0.000 1.027 236 S CA 0.959 59.003 58.200 -0.260 0.000 0.991 236 S CB -0.172 62.952 63.200 -0.126 0.000 0.823 236 S HN 0.375 nan 8.310 nan 0.000 0.469 237 N N 1.019 119.286 118.700 -0.722 0.000 2.354 237 N HA 0.141 4.881 4.740 -0.000 0.000 0.179 237 N C 1.573 176.577 175.510 -0.843 0.000 1.021 237 N CA 0.451 52.982 53.050 -0.865 0.000 0.887 237 N CB -0.105 37.616 38.487 -1.278 0.000 0.974 237 N HN 0.328 nan 8.380 nan 0.000 0.437 238 L N 0.256 120.960 121.223 -0.865 0.000 2.156 238 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 238 L C 0.975 177.664 176.870 -0.301 0.000 1.095 238 L CA 0.995 55.503 54.840 -0.553 0.000 0.770 238 L CB 0.150 41.934 42.059 -0.458 0.000 0.914 238 L HN -0.053 nan 8.230 nan 0.000 0.439 239 K N -0.594 119.637 120.400 -0.281 0.000 2.992 239 K HA 0.192 4.512 4.320 -0.000 0.000 0.178 239 K C -1.979 174.526 176.600 -0.158 0.000 1.122 239 K CA -1.140 55.037 56.287 -0.183 0.000 0.926 239 K CB 1.159 33.567 32.500 -0.155 0.000 1.121 239 K HN -0.194 nan 8.250 nan 0.000 0.610 240 P HA -0.142 nan 4.420 nan 0.000 0.221 240 P C 1.017 178.272 177.300 -0.075 0.000 1.150 240 P CA 0.776 63.808 63.100 -0.113 0.000 0.800 240 P CB 0.267 31.905 31.700 -0.102 0.000 0.787 241 L N -0.234 120.946 121.223 -0.071 0.000 2.353 241 L HA -0.111 4.228 4.340 -0.000 0.000 0.220 241 L C 1.518 178.359 176.870 -0.048 0.000 1.133 241 L CA 1.146 55.954 54.840 -0.053 0.000 0.798 241 L CB -0.839 41.189 42.059 -0.051 0.000 0.922 241 L HN -0.083 nan 8.230 nan 0.000 0.445 242 D N -0.329 120.037 120.400 -0.057 0.000 2.349 242 D HA 0.075 4.715 4.640 -0.000 0.000 0.224 242 D C 0.601 176.879 176.300 -0.036 0.000 1.029 242 D CA 0.415 54.386 54.000 -0.048 0.000 0.879 242 D CB 0.282 41.047 40.800 -0.058 0.000 0.906 242 D HN 0.063 nan 8.370 nan 0.000 0.528 243 I N 1.342 121.891 120.570 -0.034 0.000 2.352 243 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 243 I C 1.153 177.263 176.117 -0.013 0.000 1.036 243 I CA -0.106 61.183 61.300 -0.018 0.000 1.336 243 I CB 0.649 38.641 38.000 -0.014 0.000 1.407 243 I HN -0.150 nan 8.210 nan 0.000 0.497 244 N N 3.830 122.525 118.700 -0.008 0.000 2.270 244 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 244 N C -0.107 175.399 175.510 -0.006 0.000 1.016 244 N CA 0.623 53.668 53.050 -0.008 0.000 0.870 244 N CB 0.037 38.519 38.487 -0.008 0.000 0.979 244 N HN 0.527 nan 8.380 nan 0.000 0.431 245 E N 1.150 121.349 120.200 -0.001 0.000 2.220 245 E HA 0.040 4.390 4.350 -0.000 0.000 0.272 245 E C 0.403 177.003 176.600 0.000 0.000 1.099 245 E CA 0.144 56.544 56.400 -0.001 0.000 0.907 245 E CB 0.710 30.412 29.700 0.003 0.000 1.022 245 E HN 0.186 nan 8.360 nan 0.000 0.428 246 K N 1.145 121.544 120.400 -0.002 0.000 2.032 246 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 246 K C 1.951 178.553 176.600 0.004 0.000 1.048 246 K CA 1.925 58.211 56.287 -0.001 0.000 0.927 246 K CB -0.172 32.327 32.500 -0.003 0.000 0.712 246 K HN 0.609 nan 8.250 nan 0.000 0.441 247 T N -0.244 114.312 114.554 0.004 0.000 2.951 247 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 247 T C 1.782 176.493 174.700 0.019 0.000 1.073 247 T CA 0.697 62.803 62.100 0.009 0.000 1.134 247 T CB -0.094 68.776 68.868 0.003 0.000 0.884 247 T HN 0.043 nan 8.240 nan 0.000 0.479 248 L N 0.962 122.197 121.223 0.020 0.000 2.095 248 L HA 0.191 4.531 4.340 -0.000 0.000 0.204 248 L C 2.777 179.669 176.870 0.035 0.000 1.080 248 L CA 1.650 56.514 54.840 0.040 0.000 0.759 248 L CB -0.972 41.115 42.059 0.046 0.000 0.914 248 L HN 0.355 nan 8.230 nan 0.000 0.439 249 Q N -0.763 119.047 119.800 0.016 0.000 2.061 249 Q HA -0.312 4.028 4.340 -0.000 0.000 0.204 249 Q C 2.297 178.300 176.000 0.005 0.000 0.984 249 Q CA 2.343 58.146 55.803 -0.000 0.000 0.846 249 Q CB -0.252 28.481 28.738 -0.009 0.000 0.902 249 Q HN 0.707 nan 8.270 nan 0.000 0.421 250 Q N -0.885 118.923 119.800 0.014 0.000 2.119 250 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 250 Q C 1.938 177.964 176.000 0.044 0.000 0.972 250 Q CA 1.385 57.201 55.803 0.022 0.000 0.847 250 Q CB -0.286 28.465 28.738 0.021 0.000 0.903 250 Q HN 0.546 nan 8.270 nan 0.000 0.433 251 G N 0.947 109.780 108.800 0.056 0.000 2.418 251 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 251 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 251 G C 1.372 176.337 174.900 0.108 0.000 1.158 251 G CA 0.793 45.946 45.100 0.087 0.000 0.771 251 G HN 0.353 nan 8.290 nan 0.000 0.545 252 I N 0.318 120.935 120.570 0.078 0.000 2.252 252 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 252 I C 3.026 179.176 176.117 0.055 0.000 1.102 252 I CA 1.115 62.450 61.300 0.059 0.000 1.385 252 I CB -0.210 37.767 38.000 -0.038 0.000 1.064 252 I HN 0.241 nan 8.210 nan 0.000 0.414 253 Q N 0.429 120.247 119.800 0.030 0.000 2.124 253 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 253 Q C 2.359 178.396 176.000 0.061 0.000 0.977 253 Q CA 1.301 57.116 55.803 0.020 0.000 0.850 253 Q CB -0.155 28.583 28.738 -0.001 0.000 0.901 253 Q HN 0.521 nan 8.270 nan 0.000 0.429 254 L N 0.164 121.445 121.223 0.097 0.000 2.141 254 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 254 L C 2.358 179.378 176.870 0.249 0.000 1.094 254 L CA 0.753 55.687 54.840 0.156 0.000 0.763 254 L CB -0.452 41.706 42.059 0.165 0.000 0.908 254 L HN 0.197 nan 8.230 nan 0.000 0.437 255 A N -0.904 122.059 122.820 0.239 0.000 2.119 255 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 255 A C 2.005 179.813 177.584 0.374 0.000 1.153 255 A CA 0.998 53.227 52.037 0.320 0.000 0.692 255 A CB -0.196 19.015 19.000 0.351 0.000 0.799 255 A HN 0.490 nan 8.150 nan 0.000 0.458 256 Q N -0.175 119.767 119.800 0.238 0.000 2.247 256 Q HA 0.206 4.546 4.340 -0.000 0.000 0.204 256 Q C -0.126 175.910 176.000 0.061 0.000 0.872 256 Q CA -0.322 55.569 55.803 0.147 0.000 0.951 256 Q CB 0.514 29.264 28.738 0.020 0.000 1.099 256 Q HN 0.478 nan 8.270 nan 0.000 0.501 257 S N 0.926 116.652 115.700 0.043 0.000 2.579 257 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 257 S C 0.087 174.515 174.600 -0.287 0.000 1.345 257 S CA -0.098 57.973 58.200 -0.215 0.000 1.031 257 S CB 0.552 63.492 63.200 -0.433 0.000 0.892 257 S HN 0.230 nan 8.310 nan 0.000 0.529 258 R N 1.456 121.741 120.500 -0.359 0.000 2.215 258 R HA 0.254 4.594 4.340 -0.000 0.000 0.337 258 R C -0.376 175.739 176.300 -0.309 0.000 1.010 258 R CA -0.163 55.839 56.100 -0.164 0.000 0.871 258 R CB 0.479 30.686 30.300 -0.156 0.000 1.134 258 R HN 0.688 nan 8.270 nan 0.000 0.477 259 Y N 0.653 120.960 120.300 0.012 0.000 2.441 259 Y HA 0.134 4.684 4.550 0.000 0.000 0.288 259 Y C 0.206 175.814 175.900 -0.486 0.000 1.118 259 Y CA 0.395 58.341 58.100 -0.256 0.000 1.215 259 Y CB 0.523 38.828 38.460 -0.258 0.000 1.118 259 Y HN 0.455 nan 8.280 nan 0.000 0.547 260 W N -0.158 121.306 121.300 0.274 0.000 3.033 260 W HA 0.561 5.221 4.660 0.000 0.000 0.336 260 W C -0.852 175.766 176.519 0.164 0.000 1.173 260 W CA -0.980 56.480 57.345 0.192 0.000 1.185 260 W CB 1.209 30.768 29.460 0.166 0.000 1.425 260 W HN -0.442 nan 8.180 nan 0.000 0.536 261 Q N 1.297 121.295 119.800 0.330 0.000 2.356 261 Q HA 0.661 5.001 4.340 -0.000 0.000 0.270 261 Q C -1.284 174.732 176.000 0.026 0.000 1.058 261 Q CA -0.501 55.324 55.803 0.036 0.000 0.802 261 Q CB 2.462 31.155 28.738 -0.074 0.000 1.303 261 Q HN 0.434 nan 8.270 nan 0.000 0.444 262 T N 2.595 117.108 114.554 -0.069 0.000 3.050 262 T HA 0.598 4.948 4.350 -0.000 0.000 0.310 262 T C 0.321 174.964 174.700 -0.094 0.000 0.978 262 T CA 0.732 62.804 62.100 -0.046 0.000 1.013 262 T CB 0.566 69.429 68.868 -0.009 0.000 1.000 262 T HN 1.093 nan 8.240 nan 0.000 0.447 263 G N 5.515 114.261 108.800 -0.089 0.000 2.561 263 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.289 263 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.289 263 G C 0.318 175.133 174.900 -0.142 0.000 1.169 263 G CA 0.800 45.847 45.100 -0.089 0.000 0.980 263 G HN 1.018 nan 8.290 nan 0.000 0.550 264 D N 0.234 120.561 120.400 -0.122 0.000 2.342 264 D HA 0.313 4.953 4.640 -0.000 0.000 0.221 264 D C 1.078 177.279 176.300 -0.165 0.000 1.101 264 D CA 0.331 54.252 54.000 -0.130 0.000 0.837 264 D CB 0.072 40.839 40.800 -0.056 0.000 0.938 264 D HN 0.581 nan 8.370 nan 0.000 0.508 265 M N 0.693 120.174 119.600 -0.199 0.000 2.472 265 M HA 0.427 4.907 4.480 -0.000 0.000 0.331 265 M C -1.656 174.495 176.300 -0.248 0.000 1.170 265 M CA -0.675 54.577 55.300 -0.081 0.000 1.009 265 M CB 1.629 34.267 32.600 0.064 0.000 1.672 265 M HN -0.186 nan 8.290 nan 0.000 0.453 266 Y N 1.607 122.018 120.300 0.184 0.000 2.409 266 Y HA 0.406 4.956 4.550 0.000 0.000 0.343 266 Y C -0.408 175.652 175.900 0.267 0.000 0.973 266 Y CA -0.726 57.495 58.100 0.202 0.000 1.064 266 Y CB 1.629 40.175 38.460 0.144 0.000 1.207 266 Y HN 0.546 nan 8.280 nan 0.000 0.452 267 Q N 1.711 121.790 119.800 0.465 0.000 2.278 267 Q HA 0.605 4.945 4.340 -0.000 0.000 0.257 267 Q C -0.088 176.210 176.000 0.497 0.000 0.928 267 Q CA -0.253 55.826 55.803 0.459 0.000 0.932 267 Q CB 1.306 30.329 28.738 0.475 0.000 1.221 267 Q HN 0.902 nan 8.270 nan 0.000 0.434 268 G N 2.722 111.786 108.800 0.439 0.000 2.890 268 G HA2 0.517 4.477 3.960 -0.000 0.000 0.189 268 G HA3 0.517 4.477 3.960 -0.000 0.000 0.189 268 G C -0.987 174.079 174.900 0.278 0.000 1.342 268 G CA -0.822 44.560 45.100 0.471 0.000 1.026 268 G HN 0.580 nan 8.290 nan 0.000 0.579 269 L N 1.077 122.426 121.223 0.211 0.000 2.272 269 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 269 L C 1.302 178.203 176.870 0.052 0.000 1.045 269 L CA 0.392 55.220 54.840 -0.021 0.000 0.842 269 L CB 0.609 42.636 42.059 -0.053 0.000 1.224 269 L HN 1.045 nan 8.230 nan 0.000 0.430 270 G N 2.027 110.834 108.800 0.012 0.000 3.909 270 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 270 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 270 G C -0.020 174.905 174.900 0.041 0.000 1.404 270 G CA -0.256 44.844 45.100 0.000 0.000 0.905 270 G HN 0.498 nan 8.290 nan 0.000 0.589 271 W N 2.164 123.588 121.300 0.207 0.000 2.150 271 W HA 0.607 5.267 4.660 -0.000 0.000 0.341 271 W C 0.792 177.451 176.519 0.234 0.000 1.276 271 W CA -0.268 57.195 57.345 0.198 0.000 1.238 271 W CB 0.479 30.030 29.460 0.151 0.000 1.128 271 W HN 0.303 nan 8.180 nan 0.000 0.581 272 E N 1.350 121.890 120.200 0.568 0.000 2.256 272 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 272 E C -0.852 176.042 176.600 0.490 0.000 0.892 272 E CA -1.088 55.611 56.400 0.498 0.000 0.775 272 E CB 1.756 31.740 29.700 0.473 0.000 1.207 272 E HN 0.160 nan 8.360 nan 0.000 0.420 273 M N 1.809 121.653 119.600 0.407 0.000 2.593 273 M HA 0.506 4.986 4.480 -0.000 0.000 0.290 273 M C -1.534 174.993 176.300 0.379 0.000 1.244 273 M CA -0.407 55.073 55.300 0.300 0.000 0.857 273 M CB 1.718 34.422 32.600 0.172 0.000 1.738 273 M HN 0.305 nan 8.290 nan 0.000 0.461 274 L N 0.397 121.806 121.223 0.311 0.000 2.393 274 L HA 0.540 4.880 4.340 -0.000 0.000 0.260 274 L C -0.867 176.170 176.870 0.280 0.000 1.002 274 L CA -0.649 54.386 54.840 0.324 0.000 0.818 274 L CB 2.050 44.223 42.059 0.190 0.000 1.369 274 L HN 0.557 nan 8.230 nan 0.000 0.412 275 D N 1.034 121.591 120.400 0.262 0.000 2.414 275 D HA -0.009 4.631 4.640 -0.000 0.000 0.242 275 D C -0.938 175.499 176.300 0.229 0.000 1.129 275 D CA 0.200 54.314 54.000 0.191 0.000 0.885 275 D CB 1.136 42.021 40.800 0.141 0.000 1.198 275 D HN 0.345 nan 8.370 nan 0.000 0.437 276 W N 4.826 126.176 121.300 0.083 0.000 2.469 276 W HA 0.291 4.950 4.660 -0.000 0.000 0.320 276 W C -2.290 174.273 176.519 0.074 0.000 1.086 276 W CA -1.862 55.548 57.345 0.108 0.000 1.211 276 W CB 1.124 30.664 29.460 0.133 0.000 1.298 276 W HN 0.238 nan 8.180 nan 0.000 0.525 277 P HA 0.100 nan 4.420 nan 0.000 0.271 277 P C -0.967 176.035 177.300 -0.497 0.000 1.218 277 P CA -0.027 62.343 63.100 -1.216 0.000 0.780 277 P CB 2.252 33.406 31.700 -0.910 0.000 0.901 278 V N 2.198 121.854 119.914 -0.430 0.000 2.881 278 V HA 0.339 4.459 4.120 -0.000 0.000 0.316 278 V C -0.083 175.807 176.094 -0.339 0.000 1.070 278 V CA -0.970 61.182 62.300 -0.246 0.000 0.976 278 V CB 1.689 33.404 31.823 -0.179 0.000 1.038 278 V HN 0.702 nan 8.190 nan 0.000 0.446 279 N N 6.267 124.775 118.700 -0.320 0.000 2.401 279 N HA 0.374 5.114 4.740 -0.000 0.000 0.255 279 N C -1.345 173.837 175.510 -0.547 0.000 1.110 279 N CA -1.832 50.998 53.050 -0.367 0.000 0.949 279 N CB 1.483 39.817 38.487 -0.254 0.000 1.110 279 N HN 0.431 nan 8.380 nan 0.000 0.490 280 P HA -0.150 nan 4.420 nan 0.000 0.216 280 P C 0.255 177.176 177.300 -0.633 0.000 1.150 280 P CA 1.201 63.612 63.100 -1.149 0.000 0.837 280 P CB 0.410 30.886 31.700 -2.040 0.000 0.786 281 D N -0.436 119.687 120.400 -0.462 0.000 2.178 281 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 281 D C 2.204 178.364 176.300 -0.232 0.000 0.980 281 D CA 1.127 54.955 54.000 -0.287 0.000 0.842 281 D CB -0.525 40.145 40.800 -0.217 0.000 0.948 281 D HN 0.183 nan 8.370 nan 0.000 0.472 282 S N 0.388 115.938 115.700 -0.249 0.000 2.355 282 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 282 S C 2.183 176.685 174.600 -0.162 0.000 1.031 282 S CA 0.877 58.968 58.200 -0.182 0.000 0.993 282 S CB -0.172 62.925 63.200 -0.170 0.000 0.859 282 S HN 0.390 nan 8.310 nan 0.000 0.453 283 I N -0.975 119.455 120.570 -0.234 0.000 2.500 283 I HA 0.035 4.205 4.170 -0.000 0.000 0.252 283 I C 2.081 178.145 176.117 -0.089 0.000 1.142 283 I CA 1.028 62.241 61.300 -0.144 0.000 1.451 283 I CB -0.523 37.311 38.000 -0.277 0.000 1.093 283 I HN 0.224 nan 8.210 nan 0.000 0.430 284 I N 2.283 122.753 120.570 -0.167 0.000 2.133 284 I HA -0.252 3.918 4.170 -0.000 0.000 0.238 284 I C 2.264 178.328 176.117 -0.089 0.000 1.074 284 I CA 2.114 63.343 61.300 -0.120 0.000 1.342 284 I CB -0.705 37.208 38.000 -0.145 0.000 1.053 284 I HN 0.284 nan 8.210 nan 0.000 0.404 285 N N 0.533 119.174 118.700 -0.099 0.000 2.166 285 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 285 N C 1.906 177.381 175.510 -0.058 0.000 1.019 285 N CA 1.060 54.065 53.050 -0.075 0.000 0.856 285 N CB -0.296 38.144 38.487 -0.079 0.000 0.993 285 N HN 0.400 nan 8.380 nan 0.000 0.426 286 G N 0.306 109.075 108.800 -0.051 0.000 2.509 286 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 286 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 286 G C 1.521 176.412 174.900 -0.015 0.000 1.124 286 G CA 0.908 45.993 45.100 -0.025 0.000 0.776 286 G HN 0.421 nan 8.290 nan 0.000 0.547 287 S N -0.376 115.313 115.700 -0.019 0.000 2.527 287 S HA 0.019 4.489 4.470 -0.000 0.000 0.222 287 S C 0.790 175.347 174.600 -0.071 0.000 0.985 287 S CA -0.030 58.147 58.200 -0.038 0.000 0.921 287 S CB -0.005 63.167 63.200 -0.047 0.000 0.772 287 S HN 0.296 nan 8.310 nan 0.000 0.529 288 D N 2.016 122.379 120.400 -0.062 0.000 2.458 288 D HA 0.053 4.693 4.640 -0.000 0.000 0.243 288 D C 0.531 176.794 176.300 -0.061 0.000 1.146 288 D CA 0.240 54.205 54.000 -0.059 0.000 0.877 288 D CB 0.304 41.076 40.800 -0.047 0.000 1.176 288 D HN 0.373 nan 8.370 nan 0.000 0.461 289 N N 2.461 121.124 118.700 -0.063 0.000 2.334 289 N HA -0.212 4.528 4.740 -0.000 0.000 0.187 289 N C 1.680 177.166 175.510 -0.040 0.000 1.016 289 N CA 0.758 53.770 53.050 -0.062 0.000 0.879 289 N CB 0.084 38.541 38.487 -0.050 0.000 0.965 289 N HN 0.551 nan 8.380 nan 0.000 0.438 290 K N 0.748 121.130 120.400 -0.030 0.000 2.283 290 K HA -0.085 4.234 4.320 -0.000 0.000 0.202 290 K C 1.423 178.011 176.600 -0.021 0.000 1.048 290 K CA 1.115 57.391 56.287 -0.018 0.000 0.948 290 K CB 0.048 32.539 32.500 -0.016 0.000 0.742 290 K HN 0.286 nan 8.250 nan 0.000 0.458 291 I N 0.762 121.313 120.570 -0.032 0.000 3.194 291 I HA 0.034 4.204 4.170 -0.000 0.000 0.271 291 I C 2.462 178.555 176.117 -0.040 0.000 1.150 291 I CA 0.463 61.744 61.300 -0.032 0.000 1.440 291 I CB -0.064 37.916 38.000 -0.034 0.000 1.276 291 I HN 0.156 nan 8.210 nan 0.000 0.457 292 A N 1.088 123.870 122.820 -0.063 0.000 2.019 292 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 292 A C 2.071 179.584 177.584 -0.119 0.000 1.164 292 A CA 1.292 53.266 52.037 -0.105 0.000 0.644 292 A CB -0.588 18.317 19.000 -0.159 0.000 0.805 292 A HN 0.423 nan 8.150 nan 0.000 0.449 293 L N -1.044 120.136 121.223 -0.071 0.000 2.607 293 L HA 0.273 4.613 4.340 -0.000 0.000 0.228 293 L C 1.098 177.988 176.870 0.034 0.000 1.123 293 L CA -0.094 54.739 54.840 -0.012 0.000 0.890 293 L CB -0.317 41.744 42.059 0.003 0.000 1.103 293 L HN 0.358 nan 8.230 nan 0.000 0.468 294 A N 0.703 123.530 122.820 0.013 0.000 2.302 294 A HA 0.695 5.015 4.320 -0.000 0.000 0.285 294 A C 0.378 177.966 177.584 0.008 0.000 1.105 294 A CA -0.223 51.828 52.037 0.024 0.000 0.816 294 A CB 0.573 19.575 19.000 0.004 0.000 1.067 294 A HN 0.187 nan 8.150 nan 0.000 0.489 295 A N 1.910 124.731 122.820 0.002 0.000 2.425 295 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 295 A C 0.356 177.837 177.584 -0.172 0.000 1.084 295 A CA -0.173 51.792 52.037 -0.121 0.000 0.781 295 A CB 0.199 19.040 19.000 -0.264 0.000 1.019 295 A HN 0.756 nan 8.150 nan 0.000 0.490 296 R N 1.941 122.318 120.500 -0.206 0.000 2.651 296 R HA 0.445 4.785 4.340 -0.000 0.000 0.278 296 R C -3.143 173.029 176.300 -0.213 0.000 1.010 296 R CA -1.886 54.112 56.100 -0.170 0.000 0.896 296 R CB 2.178 32.423 30.300 -0.091 0.000 1.211 296 R HN 0.546 nan 8.270 nan 0.000 0.456 297 P HA 0.096 nan 4.420 nan 0.000 0.271 297 P C -0.232 177.013 177.300 -0.092 0.000 1.216 297 P CA -0.232 62.766 63.100 -0.171 0.000 0.776 297 P CB 0.911 32.535 31.700 -0.127 0.000 0.881 298 V N -0.118 119.755 119.914 -0.068 0.000 2.864 298 V HA 0.600 4.720 4.120 -0.000 0.000 0.314 298 V C -0.258 175.958 176.094 0.204 0.000 1.073 298 V CA -1.099 61.236 62.300 0.059 0.000 0.956 298 V CB 2.118 33.945 31.823 0.006 0.000 1.023 298 V HN 0.302 nan 8.190 nan 0.000 0.435 299 K N 2.373 122.939 120.400 0.276 0.000 2.235 299 K HA 0.773 5.093 4.320 -0.000 0.000 0.266 299 K C -0.051 176.770 176.600 0.368 0.000 0.980 299 K CA -0.355 56.091 56.287 0.265 0.000 0.849 299 K CB 2.059 34.646 32.500 0.145 0.000 1.098 299 K HN 1.070 nan 8.250 nan 0.000 0.445 300 A N 3.735 126.733 122.820 0.296 0.000 2.462 300 A HA 0.251 4.571 4.320 -0.000 0.000 0.243 300 A C -0.019 177.511 177.584 -0.089 0.000 1.076 300 A CA -0.190 51.791 52.037 -0.093 0.000 0.773 300 A CB -0.131 18.780 19.000 -0.147 0.000 1.010 300 A HN 0.749 nan 8.150 nan 0.000 0.493 301 I N 2.503 122.952 120.570 -0.203 0.000 2.337 301 I HA 0.209 4.379 4.170 -0.000 0.000 0.285 301 I C -0.261 175.759 176.117 -0.161 0.000 1.041 301 I CA 0.084 61.319 61.300 -0.109 0.000 1.199 301 I CB 1.272 39.228 38.000 -0.073 0.000 1.370 301 I HN 0.537 nan 8.210 nan 0.000 0.470 302 T N 6.364 120.857 114.554 -0.101 0.000 2.874 302 T HA 0.411 4.761 4.350 -0.000 0.000 0.321 302 T C -1.663 173.000 174.700 -0.061 0.000 1.075 302 T CA -0.957 61.091 62.100 -0.087 0.000 0.966 302 T CB 0.678 69.512 68.868 -0.057 0.000 1.001 302 T HN 0.450 nan 8.240 nan 0.000 0.476 303 P HA 0.529 nan 4.420 nan 0.000 0.281 303 P C -3.053 174.160 177.300 -0.146 0.000 1.281 303 P CA -2.060 60.982 63.100 -0.096 0.000 0.811 303 P CB 0.116 31.773 31.700 -0.071 0.000 1.154 304 P HA 0.077 nan 4.420 nan 0.000 0.266 304 P C -0.317 176.818 177.300 -0.274 0.000 1.195 304 P CA 0.408 63.299 63.100 -0.348 0.000 0.768 304 P CB -0.014 31.298 31.700 -0.647 0.000 0.838 305 T N 5.778 120.173 114.554 -0.264 0.000 2.794 305 T HA 0.263 4.613 4.350 -0.000 0.000 0.296 305 T C -2.023 172.546 174.700 -0.218 0.000 0.949 305 T CA -1.073 60.904 62.100 -0.205 0.000 1.101 305 T CB -0.066 68.681 68.868 -0.202 0.000 0.905 305 T HN 0.323 nan 8.240 nan 0.000 0.516 306 P HA 0.200 nan 4.420 nan 0.000 0.271 306 P C -0.421 176.803 177.300 -0.127 0.000 1.233 306 P CA -0.601 62.419 63.100 -0.133 0.000 0.789 306 P CB 0.315 31.961 31.700 -0.091 0.000 0.951 307 A N 1.808 124.568 122.820 -0.099 0.000 2.583 307 A HA 0.043 4.363 4.320 -0.000 0.000 0.249 307 A C 0.332 177.860 177.584 -0.094 0.000 1.035 307 A CA 0.238 52.222 52.037 -0.088 0.000 0.777 307 A CB -0.908 18.055 19.000 -0.062 0.000 0.942 307 A HN 0.348 nan 8.150 nan 0.000 0.516 308 V N 6.093 125.941 119.914 -0.109 0.000 2.406 308 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 308 V C 1.545 177.597 176.094 -0.071 0.000 1.043 308 V CA -0.284 61.959 62.300 -0.096 0.000 0.915 308 V CB 0.894 32.643 31.823 -0.123 0.000 0.988 308 V HN 1.058 nan 8.190 nan 0.000 0.466 309 R N 3.638 124.105 120.500 -0.055 0.000 2.096 309 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 309 R C 1.279 177.558 176.300 -0.035 0.000 1.127 309 R CA 1.380 57.449 56.100 -0.051 0.000 0.968 309 R CB -0.071 30.202 30.300 -0.046 0.000 0.861 309 R HN 0.729 nan 8.270 nan 0.000 0.440 310 A N 1.713 124.540 122.820 0.011 0.000 3.063 310 A HA 0.264 4.584 4.320 -0.000 0.000 0.263 310 A C -0.556 177.114 177.584 0.144 0.000 1.736 310 A CA 0.006 52.101 52.037 0.098 0.000 1.408 310 A CB 0.058 19.143 19.000 0.142 0.000 1.108 310 A HN 0.065 nan 8.150 nan 0.000 0.621 311 S N 0.507 116.253 115.700 0.076 0.000 2.595 311 S HA 0.551 5.021 4.470 -0.000 0.000 0.281 311 S C -1.023 173.625 174.600 0.080 0.000 1.117 311 S CA -0.614 57.647 58.200 0.103 0.000 0.873 311 S CB 1.257 64.438 63.200 -0.031 0.000 1.108 311 S HN 0.692 nan 8.310 nan 0.000 0.477 312 W N 3.446 124.744 121.300 -0.003 0.000 2.308 312 W HA 0.582 5.242 4.660 -0.000 0.000 0.311 312 W C -1.904 174.456 176.519 -0.265 0.000 1.088 312 W CA -0.515 56.776 57.345 -0.090 0.000 1.309 312 W CB 0.622 30.135 29.460 0.088 0.000 1.229 312 W HN 0.355 nan 8.180 nan 0.000 0.427 313 V N 7.637 127.077 119.914 -0.790 0.000 2.417 313 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 313 V C -0.032 175.645 176.094 -0.695 0.000 1.024 313 V CA -0.338 61.482 62.300 -0.800 0.000 0.861 313 V CB 1.302 32.161 31.823 -1.607 0.000 0.985 313 V HN 0.696 nan 8.190 nan 0.000 0.436 314 H N 2.619 121.607 119.070 -0.137 0.000 2.918 314 H HA 0.918 5.474 4.556 -0.000 0.000 0.303 314 H C -1.293 174.299 175.328 0.441 0.000 1.380 314 H CA -1.314 54.778 56.048 0.072 0.000 1.134 314 H CB 2.197 32.021 29.762 0.103 0.000 1.842 314 H HN 0.419 nan 8.280 nan 0.000 0.533 315 K N 1.062 121.575 120.400 0.188 0.000 2.580 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.258 315 K C -1.476 175.242 176.600 0.196 0.000 0.936 315 K CA -0.008 56.342 56.287 0.104 0.000 0.852 315 K CB 1.973 34.514 32.500 0.067 0.000 1.329 315 K HN 0.942 nan 8.250 nan 0.000 0.430 316 T N 0.020 114.691 114.554 0.195 0.000 2.928 316 T HA 0.891 5.241 4.350 -0.000 0.000 0.284 316 T C 0.298 175.084 174.700 0.144 0.000 1.008 316 T CA -0.476 61.779 62.100 0.258 0.000 1.057 316 T CB 1.680 70.601 68.868 0.088 0.000 1.018 316 T HN 0.645 nan 8.240 nan 0.000 0.493 317 G N -0.538 108.353 108.800 0.151 0.000 2.718 317 G HA2 0.769 4.729 3.960 -0.000 0.000 0.295 317 G HA3 0.769 4.729 3.960 -0.000 0.000 0.295 317 G C -1.537 173.446 174.900 0.137 0.000 1.421 317 G CA -0.574 44.614 45.100 0.146 0.000 0.902 317 G HN 1.166 nan 8.290 nan 0.000 0.501 318 A N 0.212 123.111 122.820 0.132 0.000 2.612 318 A HA 0.981 5.301 4.320 -0.000 0.000 0.293 318 A C -0.053 177.612 177.584 0.134 0.000 1.075 318 A CA 0.120 52.244 52.037 0.145 0.000 0.680 318 A CB 1.579 20.631 19.000 0.087 0.000 1.279 318 A HN 1.883 nan 8.150 nan 0.000 0.411 319 T N -2.189 112.481 114.554 0.195 0.000 2.773 319 T HA 0.637 4.987 4.350 -0.000 0.000 0.278 319 T C 1.301 176.102 174.700 0.169 0.000 1.011 319 T CA 0.138 62.329 62.100 0.151 0.000 1.014 319 T CB 0.983 69.993 68.868 0.237 0.000 1.293 319 T HN 1.594 nan 8.240 nan 0.000 0.554 320 G N -0.379 108.506 108.800 0.140 0.000 2.442 320 G HA2 0.171 4.131 3.960 -0.000 0.000 0.219 320 G HA3 0.171 4.131 3.960 -0.000 0.000 0.219 320 G C 1.138 176.122 174.900 0.139 0.000 1.141 320 G CA 0.599 45.769 45.100 0.116 0.000 0.763 320 G HN 1.155 nan 8.290 nan 0.000 0.554 321 G N -1.322 107.601 108.800 0.204 0.000 3.377 321 G HA2 0.484 4.444 3.960 -0.000 0.000 0.257 321 G HA3 0.484 4.444 3.960 -0.000 0.000 0.257 321 G C -0.414 174.450 174.900 -0.060 0.000 1.038 321 G CA -0.468 44.667 45.100 0.058 0.000 0.809 321 G HN 0.194 nan 8.290 nan 0.000 0.526 322 F N -0.513 119.565 119.950 0.214 0.000 2.603 322 F HA 0.711 5.238 4.527 0.000 0.000 0.317 322 F C 0.324 176.263 175.800 0.233 0.000 1.066 322 F CA -1.031 57.134 58.000 0.275 0.000 0.941 322 F CB 2.520 41.703 39.000 0.305 0.000 1.291 322 F HN 0.013 nan 8.300 nan 0.000 0.472 323 G N 0.676 109.764 108.800 0.479 0.000 2.707 323 G HA2 0.567 4.527 3.960 -0.000 0.000 0.299 323 G HA3 0.567 4.527 3.960 -0.000 0.000 0.299 323 G C -1.602 173.478 174.900 0.300 0.000 1.442 323 G CA -0.726 44.544 45.100 0.284 0.000 1.009 323 G HN 0.742 nan 8.290 nan 0.000 0.515 324 S N 0.766 116.605 115.700 0.231 0.000 2.599 324 S HA 0.859 5.329 4.470 -0.000 0.000 0.287 324 S C -1.495 173.287 174.600 0.304 0.000 1.105 324 S CA -1.010 57.342 58.200 0.254 0.000 0.899 324 S CB 2.491 65.834 63.200 0.238 0.000 1.100 324 S HN 1.135 nan 8.310 nan 0.000 0.482 325 Y N 0.082 120.479 120.300 0.161 0.000 2.480 325 Y HA 0.623 5.173 4.550 -0.000 0.000 0.329 325 Y C -2.045 173.996 175.900 0.236 0.000 1.127 325 Y CA -0.925 57.283 58.100 0.180 0.000 1.037 325 Y CB 1.568 40.132 38.460 0.173 0.000 1.320 325 Y HN 0.775 nan 8.280 nan 0.000 0.446 326 V N 4.491 124.190 119.914 -0.357 0.000 2.686 326 V HA 0.966 5.086 4.120 -0.000 0.000 0.306 326 V C -0.869 174.971 176.094 -0.422 0.000 1.065 326 V CA -0.288 61.922 62.300 -0.151 0.000 0.894 326 V CB 1.476 33.474 31.823 0.290 0.000 1.004 326 V HN 1.013 nan 8.190 nan 0.000 0.424 327 A N 4.818 127.410 122.820 -0.380 0.000 2.520 327 A HA 1.031 5.351 4.320 -0.000 0.000 0.298 327 A C -1.249 176.046 177.584 -0.481 0.000 1.051 327 A CA -0.503 51.174 52.037 -0.599 0.000 0.690 327 A CB 1.742 20.270 19.000 -0.785 0.000 1.281 327 A HN 1.357 nan 8.150 nan 0.000 0.402 328 F N -0.550 118.946 119.950 -0.758 0.000 2.662 328 F HA 0.855 5.382 4.527 -0.000 0.000 0.312 328 F C -1.307 174.126 175.800 -0.611 0.000 1.113 328 F CA -1.303 56.326 58.000 -0.617 0.000 0.951 328 F CB 1.404 40.100 39.000 -0.507 0.000 1.344 328 F HN 0.313 nan 8.300 nan 0.000 0.462 329 I N 2.231 122.609 120.570 -0.320 0.000 2.466 329 I HA 0.307 4.477 4.170 -0.000 0.000 0.279 329 I C -2.161 173.838 176.117 -0.196 0.000 1.033 329 I CA -1.882 59.194 61.300 -0.374 0.000 1.123 329 I CB 1.859 39.499 38.000 -0.599 0.000 1.237 329 I HN 0.376 nan 8.210 nan 0.000 0.460 330 P HA -0.246 nan 4.420 nan 0.000 0.216 330 P C 1.448 178.680 177.300 -0.114 0.000 1.157 330 P CA 1.362 64.421 63.100 -0.068 0.000 0.880 330 P CB 0.303 31.975 31.700 -0.047 0.000 0.791 331 E N 0.066 120.194 120.200 -0.121 0.000 2.160 331 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 331 E C 1.085 177.608 176.600 -0.129 0.000 0.991 331 E CA 1.156 57.496 56.400 -0.101 0.000 0.810 331 E CB -0.133 29.530 29.700 -0.060 0.000 0.742 331 E HN 0.242 nan 8.360 nan 0.000 0.466 332 K N 0.151 120.434 120.400 -0.195 0.000 2.387 332 K HA 0.070 4.390 4.320 -0.000 0.000 0.198 332 K C -0.371 176.111 176.600 -0.197 0.000 1.022 332 K CA 0.117 56.285 56.287 -0.197 0.000 1.128 332 K CB 0.517 32.861 32.500 -0.261 0.000 0.853 332 K HN 0.104 nan 8.250 nan 0.000 0.523 333 E N 0.912 121.006 120.200 -0.177 0.000 2.360 333 E HA -0.223 4.127 4.350 -0.000 0.000 0.238 333 E C -0.856 175.640 176.600 -0.174 0.000 1.186 333 E CA 0.297 56.593 56.400 -0.174 0.000 0.719 333 E CB -1.205 28.388 29.700 -0.178 0.000 1.236 333 E HN 0.121 nan 8.360 nan 0.000 0.386 334 L N -0.343 120.784 121.223 -0.161 0.000 2.386 334 L HA 0.793 5.133 4.340 -0.000 0.000 0.271 334 L C 0.099 176.905 176.870 -0.105 0.000 0.993 334 L CA 0.200 54.969 54.840 -0.118 0.000 0.819 334 L CB 2.108 44.080 42.059 -0.144 0.000 1.294 334 L HN 0.076 nan 8.230 nan 0.000 0.414 335 G N 4.008 112.777 108.800 -0.052 0.000 2.608 335 G HA2 0.635 4.595 3.960 -0.000 0.000 0.291 335 G HA3 0.635 4.595 3.960 -0.000 0.000 0.291 335 G C -2.209 172.693 174.900 0.003 0.000 1.425 335 G CA -0.439 44.631 45.100 -0.050 0.000 0.787 335 G HN 0.806 nan 8.290 nan 0.000 0.484 336 I N -0.362 120.213 120.570 0.009 0.000 2.841 336 I HA 0.658 4.828 4.170 -0.000 0.000 0.298 336 I C -1.461 174.715 176.117 0.098 0.000 1.304 336 I CA -0.955 60.396 61.300 0.084 0.000 1.019 336 I CB 2.272 40.349 38.000 0.128 0.000 1.282 336 I HN 0.406 nan 8.210 nan 0.000 0.432 337 V N 7.242 127.251 119.914 0.158 0.000 2.588 337 V HA 0.545 4.665 4.120 -0.000 0.000 0.304 337 V C -0.527 175.695 176.094 0.212 0.000 1.042 337 V CA -0.443 61.965 62.300 0.180 0.000 0.877 337 V CB 1.887 33.830 31.823 0.200 0.000 0.996 337 V HN 0.649 nan 8.190 nan 0.000 0.425 338 M N 6.166 125.901 119.600 0.224 0.000 2.142 338 M HA 0.622 5.102 4.480 -0.000 0.000 0.299 338 M C -1.388 175.009 176.300 0.161 0.000 0.960 338 M CA -0.183 55.251 55.300 0.224 0.000 0.920 338 M CB 1.978 34.762 32.600 0.307 0.000 1.541 338 M HN 0.375 nan 8.290 nan 0.000 0.429 339 L N 2.854 124.072 121.223 -0.007 0.000 2.356 339 L HA 0.992 5.332 4.340 -0.000 0.000 0.277 339 L C -0.475 176.271 176.870 -0.207 0.000 0.996 339 L CA -0.724 53.975 54.840 -0.236 0.000 0.822 339 L CB 1.854 43.411 42.059 -0.837 0.000 1.256 339 L HN 0.808 nan 8.230 nan 0.000 0.413 340 A N 1.940 124.898 122.820 0.229 0.000 2.475 340 A HA 0.608 4.928 4.320 -0.000 0.000 0.301 340 A C -0.514 177.449 177.584 0.632 0.000 1.059 340 A CA -0.751 51.544 52.037 0.431 0.000 0.710 340 A CB 1.311 20.539 19.000 0.380 0.000 1.288 340 A HN 0.756 nan 8.150 nan 0.000 0.408 341 N N 1.212 120.214 118.700 0.503 0.000 2.758 341 N HA 0.225 4.965 4.740 -0.000 0.000 0.293 341 N C -0.557 174.962 175.510 0.014 0.000 1.273 341 N CA -0.168 52.892 53.050 0.016 0.000 1.022 341 N CB 0.192 38.647 38.487 -0.053 0.000 1.334 341 N HN 0.612 nan 8.380 nan 0.000 0.519 342 K N 0.129 120.623 120.400 0.157 0.000 2.557 342 K HA 0.180 4.500 4.320 -0.000 0.000 0.257 342 K C -1.736 175.050 176.600 0.310 0.000 0.933 342 K CA -0.564 55.834 56.287 0.184 0.000 0.820 342 K CB 1.473 34.070 32.500 0.162 0.000 1.330 342 K HN 0.201 nan 8.250 nan 0.000 0.432 343 N N 4.536 123.380 118.700 0.240 0.000 2.482 343 N HA 0.097 4.837 4.740 -0.000 0.000 0.242 343 N C -1.034 174.608 175.510 0.219 0.000 1.100 343 N CA -0.433 52.745 53.050 0.212 0.000 0.946 343 N CB 0.291 38.864 38.487 0.145 0.000 1.227 343 N HN 0.418 nan 8.380 nan 0.000 0.508 344 Y N 1.966 122.308 120.300 0.071 0.000 2.568 344 Y HA 0.689 5.239 4.550 0.000 0.000 0.327 344 Y C -2.662 173.256 175.900 0.030 0.000 1.163 344 Y CA -3.439 54.686 58.100 0.042 0.000 1.219 344 Y CB -0.796 37.683 38.460 0.032 0.000 1.308 344 Y HN 0.333 nan 8.280 nan 0.000 0.503 345 P HA 0.026 nan 4.420 nan 0.000 0.262 345 P C 0.130 177.311 177.300 -0.199 0.000 1.182 345 P CA 0.288 63.348 63.100 -0.067 0.000 0.761 345 P CB 0.686 32.394 31.700 0.013 0.000 0.795 346 N N 4.687 123.272 118.700 -0.192 0.000 2.061 346 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 346 N C -0.863 174.533 175.510 -0.189 0.000 1.030 346 N CA 1.921 54.838 53.050 -0.222 0.000 0.856 346 N CB -1.915 36.476 38.487 -0.161 0.000 1.023 346 N HN 0.445 nan 8.380 nan 0.000 0.424 347 P HA -0.074 nan 4.420 nan 0.000 0.216 347 P C 1.031 178.303 177.300 -0.047 0.000 1.150 347 P CA 1.582 64.634 63.100 -0.080 0.000 0.843 347 P CB -0.082 31.586 31.700 -0.053 0.000 0.787 348 A N -0.184 122.634 122.820 -0.004 0.000 1.969 348 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 348 A C 2.185 179.840 177.584 0.118 0.000 1.169 348 A CA 1.268 53.358 52.037 0.088 0.000 0.635 348 A CB -0.867 18.254 19.000 0.203 0.000 0.810 348 A HN 0.120 nan 8.150 nan 0.000 0.445 349 R N -0.682 119.820 120.500 0.003 0.000 2.062 349 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 349 R C 1.955 178.178 176.300 -0.130 0.000 1.128 349 R CA 1.408 57.493 56.100 -0.026 0.000 0.960 349 R CB -0.605 29.535 30.300 -0.267 0.000 0.855 349 R HN 0.362 nan 8.270 nan 0.000 0.432 350 V N 1.674 121.419 119.914 -0.282 0.000 2.358 350 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 350 V C 1.916 178.078 176.094 0.114 0.000 1.047 350 V CA 2.088 64.275 62.300 -0.189 0.000 1.035 350 V CB -0.542 31.185 31.823 -0.161 0.000 0.658 350 V HN 0.299 nan 8.190 nan 0.000 0.452 351 D N 0.637 121.081 120.400 0.074 0.000 2.104 351 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 351 D C 2.120 178.559 176.300 0.231 0.000 0.994 351 D CA 1.712 55.798 54.000 0.144 0.000 0.830 351 D CB -0.163 40.685 40.800 0.080 0.000 0.959 351 D HN 0.350 nan 8.370 nan 0.000 0.452 352 A N 0.436 123.366 122.820 0.183 0.000 1.902 352 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 352 A C 2.400 180.136 177.584 0.254 0.000 1.181 352 A CA 2.291 54.436 52.037 0.180 0.000 0.623 352 A CB -1.166 17.916 19.000 0.136 0.000 0.818 352 A HN 0.350 nan 8.150 nan 0.000 0.443 353 A N -1.660 121.376 122.820 0.360 0.000 1.877 353 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 353 A C 2.002 179.923 177.584 0.560 0.000 1.186 353 A CA 1.600 53.940 52.037 0.504 0.000 0.620 353 A CB -0.929 18.578 19.000 0.844 0.000 0.822 353 A HN 0.824 nan 8.150 nan 0.000 0.443 354 W N 0.632 122.176 121.300 0.407 0.000 2.358 354 W HA -0.175 4.485 4.660 -0.000 0.000 0.303 354 W C 2.328 178.980 176.519 0.222 0.000 1.208 354 W CA 1.904 59.430 57.345 0.301 0.000 1.274 354 W CB -0.077 29.396 29.460 0.021 0.000 1.138 354 W HN 0.325 nan 8.180 nan 0.000 0.515 355 Q N 0.207 120.129 119.800 0.204 0.000 2.096 355 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 355 Q C 2.220 178.170 176.000 -0.084 0.000 0.982 355 Q CA 2.221 58.032 55.803 0.014 0.000 0.850 355 Q CB -0.890 27.915 28.738 0.111 0.000 0.901 355 Q HN 0.471 nan 8.270 nan 0.000 0.422 356 I N 0.101 120.681 120.570 0.016 0.000 2.193 356 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 356 I C 2.243 178.350 176.117 -0.017 0.000 1.084 356 I CA 0.792 62.095 61.300 0.005 0.000 1.365 356 I CB -0.252 37.783 38.000 0.058 0.000 1.064 356 I HN 0.109 nan 8.210 nan 0.000 0.410 357 L N 0.354 121.597 121.223 0.033 0.000 2.141 357 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 357 L C 2.182 179.020 176.870 -0.053 0.000 1.094 357 L CA 1.179 56.038 54.840 0.031 0.000 0.763 357 L CB -0.760 41.381 42.059 0.136 0.000 0.908 357 L HN 0.337 nan 8.230 nan 0.000 0.437 358 N N 0.546 119.077 118.700 -0.281 0.000 2.244 358 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 358 N C 1.790 177.194 175.510 -0.176 0.000 1.016 358 N CA 1.252 54.085 53.050 -0.362 0.000 0.866 358 N CB 0.064 37.836 38.487 -1.192 0.000 0.980 358 N HN 0.251 nan 8.380 nan 0.000 0.430 359 A N -0.010 122.712 122.820 -0.163 0.000 1.969 359 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 359 A C 1.976 179.542 177.584 -0.030 0.000 1.169 359 A CA 0.826 52.813 52.037 -0.083 0.000 0.635 359 A CB -0.419 18.534 19.000 -0.078 0.000 0.810 359 A HN 0.355 nan 8.150 nan 0.000 0.445 360 L N -0.574 120.645 121.223 -0.006 0.000 2.529 360 L HA 0.048 4.388 4.340 -0.000 0.000 0.223 360 L C 1.678 178.636 176.870 0.146 0.000 1.113 360 L CA -0.128 54.753 54.840 0.069 0.000 0.861 360 L CB -0.342 41.772 42.059 0.093 0.000 1.012 360 L HN 0.582 nan 8.230 nan 0.000 0.461 361 Q N 0.000 119.853 119.800 0.089 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.860 55.803 0.095 0.000 1.022 361 Q CB 0.000 28.864 28.738 0.211 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481