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 1l0d_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG DVSKTFTGVL 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 0.000 177.440 177.584 -0.240 0.000 1.274 4 A CA 0.000 51.880 52.037 -0.261 0.000 0.836 4 A CB 0.000 18.831 19.000 -0.281 0.000 0.831 5 P HA 0.114 nan 4.420 nan 0.000 0.267 5 P C 0.767 177.959 177.300 -0.181 0.000 1.200 5 P CA -0.174 62.787 63.100 -0.231 0.000 0.772 5 P CB 0.619 32.139 31.700 -0.300 0.000 0.855 6 Q N 2.521 122.255 119.800 -0.111 0.000 2.135 6 Q HA -0.265 4.074 4.340 -0.000 0.000 0.204 6 Q C 1.735 177.684 176.000 -0.085 0.000 0.981 6 Q CA 2.123 57.883 55.803 -0.072 0.000 0.856 6 Q CB -0.075 28.637 28.738 -0.045 0.000 0.902 6 Q HN 0.677 nan 8.270 nan 0.000 0.425 7 Q N -0.749 118.974 119.800 -0.128 0.000 2.170 7 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 7 Q C 2.041 177.943 176.000 -0.164 0.000 0.976 7 Q CA 1.530 57.250 55.803 -0.138 0.000 0.858 7 Q CB -0.340 28.295 28.738 -0.172 0.000 0.907 7 Q HN 0.444 nan 8.270 nan 0.000 0.433 8 I N 1.230 121.666 120.570 -0.224 0.000 2.277 8 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 8 I C 1.867 177.948 176.117 -0.060 0.000 1.094 8 I CA 1.114 62.300 61.300 -0.190 0.000 1.393 8 I CB -0.379 37.461 38.000 -0.266 0.000 1.078 8 I HN 0.291 nan 8.210 nan 0.000 0.417 9 N N 0.724 119.438 118.700 0.023 0.000 2.104 9 N HA -0.262 4.478 4.740 -0.000 0.000 0.190 9 N C 1.479 177.037 175.510 0.080 0.000 1.024 9 N CA 1.653 54.778 53.050 0.125 0.000 0.853 9 N CB -0.101 38.438 38.487 0.088 0.000 1.008 9 N HN 0.315 nan 8.380 nan 0.000 0.424 10 D N 0.630 121.049 120.400 0.032 0.000 2.084 10 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 10 D C 1.762 178.083 176.300 0.036 0.000 0.990 10 D CA 0.717 54.746 54.000 0.049 0.000 0.826 10 D CB -0.035 40.772 40.800 0.012 0.000 0.971 10 D HN 0.112 nan 8.370 nan 0.000 0.453 11 I N -0.300 120.260 120.570 -0.017 0.000 2.439 11 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 11 I C 2.044 178.143 176.117 -0.030 0.000 1.139 11 I CA 0.744 62.027 61.300 -0.030 0.000 1.438 11 I CB -0.112 37.854 38.000 -0.057 0.000 1.085 11 I HN -0.030 nan 8.210 nan 0.000 0.427 12 V N 0.319 120.189 119.914 -0.075 0.000 2.358 12 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 12 V C 2.541 178.704 176.094 0.114 0.000 1.047 12 V CA 2.326 64.560 62.300 -0.109 0.000 1.035 12 V CB -1.018 30.489 31.823 -0.526 0.000 0.658 12 V HN 0.569 nan 8.190 nan 0.000 0.452 13 H N 0.194 119.301 119.070 0.061 0.000 2.389 13 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 13 H C 2.531 177.917 175.328 0.096 0.000 1.081 13 H CA 1.298 57.440 56.048 0.156 0.000 1.345 13 H CB 0.268 30.107 29.762 0.128 0.000 1.393 13 H HN 0.298 nan 8.280 nan 0.000 0.520 14 R N -0.555 119.943 120.500 -0.003 0.000 2.189 14 R HA -0.034 4.306 4.340 -0.000 0.000 0.218 14 R C 1.723 177.987 176.300 -0.059 0.000 1.074 14 R CA 1.406 57.455 56.100 -0.085 0.000 0.991 14 R CB 0.233 30.509 30.300 -0.040 0.000 0.883 14 R HN 0.300 nan 8.270 nan 0.000 0.457 15 T N 0.350 114.888 114.554 -0.026 0.000 3.044 15 T HA 0.123 4.472 4.350 -0.000 0.000 0.237 15 T C 1.725 176.385 174.700 -0.067 0.000 1.001 15 T CA 0.219 62.302 62.100 -0.029 0.000 1.160 15 T CB 0.222 69.087 68.868 -0.005 0.000 0.889 15 T HN -0.047 nan 8.240 nan 0.000 0.442 16 I N 2.176 122.698 120.570 -0.081 0.000 2.333 16 I HA -0.053 4.117 4.170 -0.000 0.000 0.246 16 I C 2.571 178.466 176.117 -0.371 0.000 1.106 16 I CA 1.334 62.480 61.300 -0.256 0.000 1.411 16 I CB -1.806 35.956 38.000 -0.396 0.000 1.082 16 I HN 0.250 nan 8.210 nan 0.000 0.420 17 T N 2.139 116.612 114.554 -0.134 0.000 2.720 17 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 17 T C -0.328 174.284 174.700 -0.146 0.000 1.037 17 T CA 1.621 63.672 62.100 -0.081 0.000 1.144 17 T CB -1.273 67.775 68.868 0.299 0.000 0.864 17 T HN 0.244 nan 8.240 nan 0.000 0.444 18 P HA 0.071 nan 4.420 nan 0.000 0.220 18 P C 1.609 178.829 177.300 -0.134 0.000 1.152 18 P CA 0.307 63.341 63.100 -0.110 0.000 0.812 18 P CB -0.139 31.509 31.700 -0.088 0.000 0.792 19 L N -0.407 120.716 121.223 -0.167 0.000 2.042 19 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 19 L C 2.088 178.798 176.870 -0.267 0.000 1.076 19 L CA 1.873 56.599 54.840 -0.190 0.000 0.749 19 L CB -1.191 40.749 42.059 -0.198 0.000 0.893 19 L HN -0.131 nan 8.230 nan 0.000 0.432 20 I N -0.517 119.857 120.570 -0.328 0.000 2.226 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 20 I C 2.416 178.412 176.117 -0.201 0.000 1.100 20 I CA 1.071 62.177 61.300 -0.324 0.000 1.374 20 I CB -0.400 37.357 38.000 -0.404 0.000 1.057 20 I HN 0.326 nan 8.210 nan 0.000 0.413 21 E N 0.538 120.648 120.200 -0.149 0.000 2.072 21 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 21 E C 2.174 178.723 176.600 -0.085 0.000 0.985 21 E CA 1.183 57.528 56.400 -0.091 0.000 0.801 21 E CB -0.299 29.364 29.700 -0.062 0.000 0.750 21 E HN 0.590 nan 8.360 nan 0.000 0.452 22 Q N 0.141 119.884 119.800 -0.095 0.000 2.124 22 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 22 Q C 1.814 177.771 176.000 -0.071 0.000 0.977 22 Q CA 0.988 56.748 55.803 -0.071 0.000 0.850 22 Q CB 0.119 28.819 28.738 -0.064 0.000 0.901 22 Q HN 0.163 nan 8.270 nan 0.000 0.429 23 Q N -0.064 119.664 119.800 -0.120 0.000 2.319 23 Q HA 0.057 4.397 4.340 -0.000 0.000 0.202 23 Q C -0.307 175.634 176.000 -0.099 0.000 0.896 23 Q CA 0.171 55.905 55.803 -0.116 0.000 0.942 23 Q CB 0.850 29.435 28.738 -0.256 0.000 1.083 23 Q HN 0.166 nan 8.270 nan 0.000 0.510 24 K N 0.499 120.839 120.400 -0.099 0.000 3.096 24 K HA -0.184 4.136 4.320 -0.000 0.000 0.266 24 K C -0.288 176.266 176.600 -0.077 0.000 1.043 24 K CA 0.467 56.710 56.287 -0.073 0.000 0.758 24 K CB -2.530 29.945 32.500 -0.041 0.000 1.260 24 K HN 0.355 nan 8.250 nan 0.000 0.481 25 I N 1.473 121.970 120.570 -0.122 0.000 2.452 25 I HA 0.000 4.170 4.170 -0.000 0.000 0.287 25 I C -0.705 175.390 176.117 -0.037 0.000 1.079 25 I CA -1.864 59.381 61.300 -0.092 0.000 1.387 25 I CB 0.718 38.598 38.000 -0.199 0.000 1.404 25 I HN -0.042 nan 8.210 nan 0.000 0.522 26 P HA 0.007 nan 4.420 nan 0.000 0.217 26 P C 0.349 177.710 177.300 0.102 0.000 1.151 26 P CA 0.497 63.599 63.100 0.003 0.000 0.828 26 P CB 0.319 31.943 31.700 -0.126 0.000 0.788 27 G N -1.182 107.736 108.800 0.197 0.000 2.706 27 G HA2 0.671 4.631 3.960 -0.000 0.000 0.297 27 G HA3 0.671 4.631 3.960 -0.000 0.000 0.297 27 G C -1.929 173.217 174.900 0.409 0.000 1.403 27 G CA -0.376 44.913 45.100 0.314 0.000 0.954 27 G HN 0.048 nan 8.290 nan 0.000 0.500 28 M N 1.376 121.252 119.600 0.460 0.000 2.413 28 M HA 0.742 5.222 4.480 -0.000 0.000 0.287 28 M C -1.470 175.151 176.300 0.536 0.000 1.186 28 M CA -0.522 55.012 55.300 0.389 0.000 0.927 28 M CB 2.272 34.943 32.600 0.118 0.000 1.715 28 M HN 1.077 nan 8.290 nan 0.000 0.478 29 A N 3.360 126.359 122.820 0.299 0.000 2.393 29 A HA 0.880 5.200 4.320 -0.000 0.000 0.306 29 A C -1.751 176.042 177.584 0.348 0.000 1.050 29 A CA -0.630 51.633 52.037 0.377 0.000 0.724 29 A CB 1.789 20.954 19.000 0.276 0.000 1.248 29 A HN 0.646 nan 8.150 nan 0.000 0.424 30 V N 0.812 121.054 119.914 0.547 0.000 2.789 30 V HA 0.818 4.938 4.120 -0.000 0.000 0.311 30 V C 0.111 176.542 176.094 0.562 0.000 1.073 30 V CA -0.233 62.362 62.300 0.492 0.000 0.921 30 V CB 1.921 34.060 31.823 0.526 0.000 1.009 30 V HN 1.428 nan 8.190 nan 0.000 0.426 31 A N 3.622 126.688 122.820 0.410 0.000 2.355 31 A HA 0.893 5.213 4.320 -0.000 0.000 0.317 31 A C -1.173 176.565 177.584 0.256 0.000 1.094 31 A CA -0.560 51.663 52.037 0.311 0.000 0.764 31 A CB 1.798 20.938 19.000 0.232 0.000 1.230 31 A HN 0.663 nan 8.150 nan 0.000 0.448 32 V N 3.719 123.807 119.914 0.289 0.000 2.448 32 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 32 V C -0.383 175.833 176.094 0.203 0.000 1.025 32 V CA -0.244 62.203 62.300 0.245 0.000 0.859 32 V CB 1.529 33.524 31.823 0.288 0.000 0.988 32 V HN 0.765 nan 8.190 nan 0.000 0.431 33 I N 5.435 126.081 120.570 0.127 0.000 2.312 33 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 33 I C -1.128 175.095 176.117 0.177 0.000 1.008 33 I CA -0.510 60.838 61.300 0.080 0.000 1.226 33 I CB 0.950 38.934 38.000 -0.027 0.000 1.371 33 I HN 0.611 nan 8.210 nan 0.000 0.468 34 Y N 5.796 126.167 120.300 0.119 0.000 2.361 34 Y HA 0.239 4.789 4.550 0.000 0.000 0.337 34 Y C 0.223 176.173 175.900 0.084 0.000 0.965 34 Y CA -0.861 57.302 58.100 0.104 0.000 1.091 34 Y CB 1.220 39.770 38.460 0.150 0.000 1.182 34 Y HN 0.631 nan 8.280 nan 0.000 0.450 35 Q N 4.510 124.024 119.800 -0.477 0.000 2.457 35 Q HA -0.269 4.071 4.340 -0.000 0.000 0.283 35 Q C 1.091 176.995 176.000 -0.159 0.000 1.234 35 Q CA 1.211 56.797 55.803 -0.362 0.000 0.877 35 Q CB -1.613 26.872 28.738 -0.422 0.000 1.250 35 Q HN 1.401 nan 8.270 nan 0.000 0.481 36 G N -2.667 106.056 108.800 -0.128 0.000 2.184 36 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.264 36 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.264 36 G C 0.152 174.997 174.900 -0.092 0.000 0.975 36 G CA 0.834 45.870 45.100 -0.107 0.000 0.642 36 G HN 0.806 nan 8.290 nan 0.000 0.536 37 K N 1.258 121.618 120.400 -0.067 0.000 2.164 37 K HA 0.868 5.188 4.320 -0.000 0.000 0.258 37 K C -2.543 173.870 176.600 -0.311 0.000 0.951 37 K CA -1.383 54.804 56.287 -0.166 0.000 0.844 37 K CB 1.843 34.258 32.500 -0.141 0.000 1.099 37 K HN 0.275 nan 8.250 nan 0.000 0.435 38 P HA 0.482 nan 4.420 nan 0.000 0.292 38 P C -1.428 175.231 177.300 -1.069 0.000 1.283 38 P CA -0.393 62.357 63.100 -0.583 0.000 0.835 38 P CB 0.598 32.034 31.700 -0.440 0.000 1.017 39 Y N 0.950 120.954 120.300 -0.495 0.000 2.442 39 Y HA 0.465 5.015 4.550 -0.000 0.000 0.344 39 Y C -0.068 175.394 175.900 -0.730 0.000 0.976 39 Y CA -0.469 57.332 58.100 -0.499 0.000 1.040 39 Y CB 1.932 40.299 38.460 -0.155 0.000 1.228 39 Y HN 0.294 nan 8.280 nan 0.000 0.451 40 Y N 2.123 122.214 120.300 -0.349 0.000 2.468 40 Y HA 0.721 5.271 4.550 -0.000 0.000 0.342 40 Y C -1.066 174.382 175.900 -0.754 0.000 1.021 40 Y CA -1.302 56.609 58.100 -0.314 0.000 1.079 40 Y CB 1.678 40.060 38.460 -0.130 0.000 1.226 40 Y HN 0.386 nan 8.280 nan 0.000 0.460 41 F N 0.247 120.308 119.950 0.185 0.000 2.581 41 F HA 0.626 5.153 4.527 -0.000 0.000 0.311 41 F C -0.378 175.339 175.800 -0.139 0.000 1.113 41 F CA -0.945 56.990 58.000 -0.107 0.000 0.935 41 F CB 2.465 41.395 39.000 -0.116 0.000 1.232 41 F HN 0.392 nan 8.300 nan 0.000 0.445 42 T N -1.455 112.931 114.554 -0.279 0.000 2.903 42 T HA 0.669 5.019 4.350 -0.000 0.000 0.299 42 T C -1.592 172.978 174.700 -0.217 0.000 1.093 42 T CA -0.748 61.338 62.100 -0.023 0.000 1.002 42 T CB 1.949 70.868 68.868 0.084 0.000 1.127 42 T HN 0.633 nan 8.240 nan 0.000 0.488 43 W N 0.445 121.829 121.300 0.139 0.000 3.256 43 W HA 0.495 5.155 4.660 -0.000 0.000 0.324 43 W C 0.749 177.289 176.519 0.035 0.000 1.196 43 W CA -0.251 57.137 57.345 0.071 0.000 1.206 43 W CB 1.791 31.294 29.460 0.071 0.000 1.385 43 W HN 1.409 nan 8.180 nan 0.000 0.522 44 G N 1.576 110.452 108.800 0.126 0.000 2.562 44 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.250 44 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.250 44 G C -1.539 173.297 174.900 -0.106 0.000 1.269 44 G CA -0.335 44.703 45.100 -0.104 0.000 0.919 44 G HN 0.559 nan 8.290 nan 0.000 0.574 45 Y N 0.048 120.438 120.300 0.150 0.000 2.429 45 Y HA 0.570 5.120 4.550 -0.000 0.000 0.342 45 Y C 1.331 177.336 175.900 0.174 0.000 1.004 45 Y CA -0.399 57.781 58.100 0.135 0.000 1.075 45 Y CB 2.019 40.527 38.460 0.080 0.000 1.214 45 Y HN 0.808 nan 8.280 nan 0.000 0.455 46 A N 0.912 123.941 122.820 0.349 0.000 1.975 46 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 46 A C 0.222 178.003 177.584 0.329 0.000 1.170 46 A CA 1.272 53.450 52.037 0.236 0.000 0.656 46 A CB 0.074 19.148 19.000 0.124 0.000 0.821 46 A HN 0.672 nan 8.150 nan 0.000 0.449 47 D N -1.042 119.548 120.400 0.315 0.000 2.476 47 D HA 0.391 5.030 4.640 -0.000 0.000 0.251 47 D C 0.598 176.960 176.300 0.104 0.000 1.291 47 D CA -0.463 53.737 54.000 0.334 0.000 0.939 47 D CB 0.713 41.696 40.800 0.304 0.000 1.221 47 D HN 0.132 nan 8.370 nan 0.000 0.567 48 I N 2.287 122.921 120.570 0.106 0.000 2.179 48 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 48 I C 2.458 178.446 176.117 -0.216 0.000 1.088 48 I CA 1.254 62.466 61.300 -0.147 0.000 1.357 48 I CB -0.098 37.771 38.000 -0.218 0.000 1.051 48 I HN 0.447 nan 8.210 nan 0.000 0.409 49 A N 0.990 123.748 122.820 -0.103 0.000 1.908 49 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 49 A C 2.472 179.975 177.584 -0.134 0.000 1.181 49 A CA 2.505 54.472 52.037 -0.117 0.000 0.627 49 A CB -0.816 18.121 19.000 -0.105 0.000 0.818 49 A HN 0.418 nan 8.150 nan 0.000 0.445 50 K N -0.421 119.910 120.400 -0.116 0.000 2.404 50 K HA 0.230 4.550 4.320 -0.000 0.000 0.194 50 K C 0.776 177.265 176.600 -0.185 0.000 1.023 50 K CA 0.755 56.982 56.287 -0.100 0.000 1.094 50 K CB -0.703 31.786 32.500 -0.018 0.000 0.841 50 K HN 0.570 nan 8.250 nan 0.000 0.523 51 K N 0.597 120.748 120.400 -0.415 0.000 3.148 51 K HA -0.209 4.111 4.320 -0.000 0.000 0.267 51 K C -0.151 176.265 176.600 -0.306 0.000 0.996 51 K CA 0.803 56.596 56.287 -0.824 0.000 0.737 51 K CB -1.592 30.602 32.500 -0.511 0.000 1.308 51 K HN 0.796 nan 8.250 nan 0.000 0.470 52 Q N 1.372 121.109 119.800 -0.104 0.000 2.322 52 Q HA 0.211 4.551 4.340 -0.000 0.000 0.256 52 Q C -2.191 173.983 176.000 0.291 0.000 0.960 52 Q CA -2.094 53.770 55.803 0.102 0.000 0.934 52 Q CB 1.075 29.872 28.738 0.098 0.000 1.200 52 Q HN 0.013 nan 8.270 nan 0.000 0.435 53 P HA -0.018 nan 4.420 nan 0.000 0.272 53 P C -0.492 176.942 177.300 0.222 0.000 1.223 53 P CA -0.227 63.057 63.100 0.306 0.000 0.784 53 P CB 0.959 32.775 31.700 0.193 0.000 0.923 54 V N 2.585 122.637 119.914 0.229 0.000 2.637 54 V HA 0.238 4.358 4.120 -0.000 0.000 0.296 54 V C 1.241 177.446 176.094 0.185 0.000 1.046 54 V CA 0.727 63.174 62.300 0.245 0.000 1.066 54 V CB 0.438 32.486 31.823 0.375 0.000 0.968 54 V HN 0.895 nan 8.190 nan 0.000 0.483 55 T N 1.385 116.034 114.554 0.158 0.000 2.831 55 T HA 0.352 4.702 4.350 -0.000 0.000 0.287 55 T C 0.408 175.157 174.700 0.081 0.000 1.070 55 T CA -0.713 61.439 62.100 0.087 0.000 1.010 55 T CB 1.651 70.541 68.868 0.036 0.000 1.264 55 T HN 0.410 nan 8.240 nan 0.000 0.532 56 Q N -0.344 119.445 119.800 -0.018 0.000 2.488 56 Q HA 0.023 4.363 4.340 -0.000 0.000 0.211 56 Q C 1.700 177.647 176.000 -0.087 0.000 0.967 56 Q CA 0.994 56.739 55.803 -0.098 0.000 0.926 56 Q CB -0.068 28.508 28.738 -0.270 0.000 0.992 56 Q HN 0.616 nan 8.270 nan 0.000 0.506 57 Q N -0.594 119.166 119.800 -0.068 0.000 2.282 57 Q HA 0.093 4.433 4.340 -0.000 0.000 0.206 57 Q C -0.199 175.785 176.000 -0.027 0.000 0.878 57 Q CA 0.048 55.778 55.803 -0.122 0.000 0.944 57 Q CB 0.961 29.606 28.738 -0.156 0.000 1.100 57 Q HN 0.100 nan 8.270 nan 0.000 0.509 58 T N 1.724 116.314 114.554 0.059 0.000 2.834 58 T HA 0.211 4.561 4.350 -0.000 0.000 0.298 58 T C -0.271 174.478 174.700 0.082 0.000 0.966 58 T CA -0.103 62.025 62.100 0.047 0.000 1.141 58 T CB 0.435 69.324 68.868 0.036 0.000 0.905 58 T HN -0.009 nan 8.240 nan 0.000 0.535 59 L N 4.254 125.483 121.223 0.009 0.000 2.292 59 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 59 L C -0.380 176.487 176.870 -0.005 0.000 1.065 59 L CA 0.029 54.890 54.840 0.035 0.000 0.806 59 L CB 0.328 42.325 42.059 -0.103 0.000 1.175 59 L HN 0.533 nan 8.230 nan 0.000 0.431 60 F N 0.521 120.506 119.950 0.059 0.000 2.538 60 F HA 0.423 4.950 4.527 -0.000 0.000 0.325 60 F C 0.459 176.042 175.800 -0.363 0.000 1.066 60 F CA -0.896 57.113 58.000 0.015 0.000 0.946 60 F CB 1.359 40.500 39.000 0.235 0.000 1.199 60 F HN 0.398 nan 8.300 nan 0.000 0.473 61 E N 2.636 122.323 120.200 -0.855 0.000 2.290 61 E HA 0.160 4.510 4.350 -0.000 0.000 0.277 61 E C 0.455 176.955 176.600 -0.167 0.000 1.035 61 E CA -0.045 56.013 56.400 -0.570 0.000 0.873 61 E CB 0.867 30.090 29.700 -0.794 0.000 1.029 61 E HN 0.607 nan 8.360 nan 0.000 0.419 62 L N 2.839 124.044 121.223 -0.030 0.000 2.418 62 L HA 0.064 4.404 4.340 -0.000 0.000 0.218 62 L C 1.429 178.383 176.870 0.141 0.000 1.125 62 L CA 0.457 55.352 54.840 0.091 0.000 0.835 62 L CB -0.854 41.263 42.059 0.096 0.000 0.953 62 L HN 0.899 nan 8.230 nan 0.000 0.454 63 G N 1.546 110.428 108.800 0.136 0.000 2.596 63 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.295 63 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.295 63 G C 0.254 175.293 174.900 0.231 0.000 1.240 63 G CA 0.682 45.900 45.100 0.196 0.000 0.985 63 G HN 0.395 nan 8.290 nan 0.000 0.555 64 D N 0.092 120.629 120.400 0.228 0.000 2.351 64 D HA 0.105 4.745 4.640 -0.000 0.000 0.216 64 D C 2.309 178.739 176.300 0.217 0.000 0.968 64 D CA 0.987 55.141 54.000 0.256 0.000 0.899 64 D CB -0.039 40.939 40.800 0.298 0.000 0.907 64 D HN 0.321 nan 8.370 nan 0.000 0.514 65 V N 0.379 120.409 119.914 0.194 0.000 2.867 65 V HA -0.206 3.914 4.120 -0.000 0.000 0.260 65 V C 2.117 178.336 176.094 0.209 0.000 1.099 65 V CA 1.307 63.707 62.300 0.168 0.000 1.122 65 V CB -0.431 31.514 31.823 0.203 0.000 0.708 65 V HN 0.218 nan 8.190 nan 0.000 0.490 66 S N -0.102 115.737 115.700 0.232 0.000 2.419 66 S HA -0.236 4.234 4.470 -0.000 0.000 0.235 66 S C 1.909 176.670 174.600 0.269 0.000 1.019 66 S CA 1.302 59.664 58.200 0.271 0.000 0.982 66 S CB -0.270 63.023 63.200 0.156 0.000 0.789 66 S HN 0.646 nan 8.310 nan 0.000 0.490 67 K N 0.930 121.442 120.400 0.187 0.000 2.280 67 K HA -0.101 4.218 4.320 -0.000 0.000 0.202 67 K C 2.416 179.052 176.600 0.059 0.000 1.047 67 K CA 1.578 57.955 56.287 0.150 0.000 0.942 67 K CB -0.470 32.134 32.500 0.175 0.000 0.739 67 K HN 0.626 nan 8.250 nan 0.000 0.457 68 T N -1.320 113.177 114.554 -0.095 0.000 2.904 68 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 68 T C 1.734 176.453 174.700 0.031 0.000 1.059 68 T CA 0.743 62.612 62.100 -0.385 0.000 1.137 68 T CB -0.344 67.886 68.868 -1.063 0.000 0.879 68 T HN 0.028 nan 8.240 nan 0.000 0.467 69 F N 2.152 122.164 119.950 0.104 0.000 2.163 69 F HA 0.051 4.578 4.527 0.000 0.000 0.297 69 F C 3.004 178.869 175.800 0.109 0.000 1.094 69 F CA 1.282 59.307 58.000 0.040 0.000 1.290 69 F CB -1.084 37.815 39.000 -0.168 0.000 1.017 69 F HN 0.125 nan 8.300 nan 0.000 0.483 70 T N -0.541 114.211 114.554 0.330 0.000 2.746 70 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 70 T C 2.360 177.247 174.700 0.312 0.000 1.039 70 T CA 1.423 63.725 62.100 0.337 0.000 1.142 70 T CB -1.007 68.058 68.868 0.328 0.000 0.866 70 T HN 0.446 nan 8.240 nan 0.000 0.444 71 G N 0.829 109.778 108.800 0.249 0.000 2.418 71 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 71 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 71 G C 1.688 176.742 174.900 0.257 0.000 1.158 71 G CA 0.715 45.956 45.100 0.235 0.000 0.771 71 G HN 0.435 nan 8.290 nan 0.000 0.545 72 V N 0.545 120.621 119.914 0.269 0.000 2.427 72 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 72 V C 2.651 178.862 176.094 0.194 0.000 1.051 72 V CA 1.446 63.910 62.300 0.273 0.000 1.048 72 V CB -0.232 31.841 31.823 0.418 0.000 0.666 72 V HN 0.348 nan 8.190 nan 0.000 0.456 73 L N 1.278 122.592 121.223 0.152 0.000 2.083 73 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 73 L C 2.296 179.179 176.870 0.022 0.000 1.083 73 L CA 2.407 57.258 54.840 0.019 0.000 0.752 73 L CB -1.159 40.828 42.059 -0.119 0.000 0.899 73 L HN 0.266 nan 8.230 nan 0.000 0.433 74 G N -1.216 107.655 108.800 0.119 0.000 2.402 74 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 74 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 74 G C 1.525 176.524 174.900 0.166 0.000 1.162 74 G CA 0.500 45.680 45.100 0.134 0.000 0.777 74 G HN 0.579 nan 8.290 nan 0.000 0.539 75 G N 0.684 109.594 108.800 0.184 0.000 2.440 75 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 75 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 75 G C 1.448 176.402 174.900 0.089 0.000 1.154 75 G CA 1.393 46.579 45.100 0.144 0.000 0.767 75 G HN 0.508 nan 8.290 nan 0.000 0.552 76 D N 0.409 120.850 120.400 0.068 0.000 2.144 76 D HA 0.076 4.716 4.640 -0.000 0.000 0.200 76 D C 2.628 178.932 176.300 0.005 0.000 0.978 76 D CA 1.323 55.342 54.000 0.031 0.000 0.833 76 D CB -0.240 40.569 40.800 0.014 0.000 0.961 76 D HN 0.245 nan 8.370 nan 0.000 0.470 77 A N -0.053 122.760 122.820 -0.013 0.000 1.969 77 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 77 A C 2.277 179.856 177.584 -0.008 0.000 1.169 77 A CA 0.826 52.841 52.037 -0.038 0.000 0.635 77 A CB -0.645 18.296 19.000 -0.098 0.000 0.810 77 A HN 0.371 nan 8.150 nan 0.000 0.445 78 I N -0.244 120.340 120.570 0.023 0.000 2.202 78 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 78 I C 2.965 179.104 176.117 0.038 0.000 1.091 78 I CA 1.023 62.349 61.300 0.043 0.000 1.368 78 I CB -0.355 37.689 38.000 0.074 0.000 1.058 78 I HN 0.335 nan 8.210 nan 0.000 0.410 79 A N 0.857 123.698 122.820 0.036 0.000 1.940 79 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 79 A C 2.317 179.911 177.584 0.017 0.000 1.176 79 A CA 1.520 53.574 52.037 0.028 0.000 0.631 79 A CB -0.604 18.411 19.000 0.026 0.000 0.814 79 A HN 0.340 nan 8.150 nan 0.000 0.446 80 R N -1.398 119.107 120.500 0.010 0.000 2.316 80 R HA 0.117 4.457 4.340 -0.000 0.000 0.202 80 R C 1.329 177.635 176.300 0.010 0.000 1.029 80 R CA 0.545 56.647 56.100 0.003 0.000 1.018 80 R CB -0.267 30.027 30.300 -0.010 0.000 0.888 80 R HN 0.737 nan 8.270 nan 0.000 0.471 81 G N 0.897 109.709 108.800 0.020 0.000 2.143 81 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 81 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 81 G C 0.516 175.439 174.900 0.039 0.000 0.991 81 G CA 0.576 45.694 45.100 0.030 0.000 0.689 81 G HN 0.458 nan 8.290 nan 0.000 0.522 82 E N -0.600 119.617 120.200 0.029 0.000 2.170 82 E HA 0.251 4.601 4.350 -0.000 0.000 0.191 82 E C 1.512 178.164 176.600 0.086 0.000 0.981 82 E CA 1.136 57.559 56.400 0.040 0.000 0.830 82 E CB 0.177 29.876 29.700 -0.002 0.000 0.775 82 E HN 0.904 nan 8.360 nan 0.000 0.470 83 I N -2.757 117.839 120.570 0.043 0.000 3.095 83 I HA 0.495 4.665 4.170 -0.000 0.000 0.310 83 I C -1.340 174.824 176.117 0.078 0.000 1.196 83 I CA -1.237 60.084 61.300 0.034 0.000 0.985 83 I CB 2.309 40.140 38.000 -0.282 0.000 1.250 83 I HN -0.356 nan 8.210 nan 0.000 0.446 84 K N 2.788 123.272 120.400 0.141 0.000 2.371 84 K HA 0.502 4.822 4.320 -0.000 0.000 0.251 84 K C 0.032 176.701 176.600 0.114 0.000 0.934 84 K CA -0.774 55.586 56.287 0.122 0.000 0.798 84 K CB 2.961 35.543 32.500 0.137 0.000 1.204 84 K HN 0.622 nan 8.250 nan 0.000 0.427 85 L N 1.050 122.320 121.223 0.079 0.000 2.376 85 L HA -0.137 4.203 4.340 -0.000 0.000 0.219 85 L C 1.912 178.807 176.870 0.042 0.000 1.133 85 L CA 1.161 56.028 54.840 0.044 0.000 0.816 85 L CB -0.206 41.835 42.059 -0.029 0.000 0.933 85 L HN 0.690 nan 8.230 nan 0.000 0.449 86 S N -2.733 113.008 115.700 0.067 0.000 2.562 86 S HA 0.019 4.489 4.470 -0.000 0.000 0.221 86 S C 0.548 175.215 174.600 0.112 0.000 0.975 86 S CA -0.255 57.984 58.200 0.065 0.000 0.918 86 S CB -0.285 62.952 63.200 0.061 0.000 0.772 86 S HN 0.207 nan 8.310 nan 0.000 0.531 87 D N 3.472 123.978 120.400 0.177 0.000 2.304 87 D HA 0.401 5.041 4.640 -0.000 0.000 0.247 87 D C -2.676 173.781 176.300 0.262 0.000 1.089 87 D CA -1.826 52.314 54.000 0.233 0.000 0.910 87 D CB 0.881 41.907 40.800 0.377 0.000 1.199 87 D HN 0.112 nan 8.370 nan 0.000 0.426 88 P HA 0.048 nan 4.420 nan 0.000 0.268 88 P C 0.744 178.214 177.300 0.284 0.000 1.205 88 P CA -0.039 63.195 63.100 0.223 0.000 0.771 88 P CB 0.556 32.346 31.700 0.150 0.000 0.858 89 T N 0.755 115.500 114.554 0.319 0.000 2.699 89 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 89 T C 1.489 176.334 174.700 0.243 0.000 1.036 89 T CA 2.036 64.327 62.100 0.318 0.000 1.147 89 T CB -0.916 68.140 68.868 0.313 0.000 0.862 89 T HN 0.487 nan 8.240 nan 0.000 0.446 90 T N 1.386 116.031 114.554 0.152 0.000 2.977 90 T HA -0.044 4.306 4.350 -0.000 0.000 0.271 90 T C 1.802 176.512 174.700 0.017 0.000 1.105 90 T CA 0.872 63.010 62.100 0.064 0.000 1.116 90 T CB -0.126 68.762 68.868 0.034 0.000 0.878 90 T HN 0.444 nan 8.240 nan 0.000 0.509 91 K N 0.278 120.638 120.400 -0.066 0.000 2.209 91 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 91 K C 1.016 177.329 176.600 -0.478 0.000 1.048 91 K CA 1.257 57.339 56.287 -0.341 0.000 0.940 91 K CB -0.050 32.088 32.500 -0.604 0.000 0.729 91 K HN 0.462 nan 8.250 nan 0.000 0.451 92 Y N -2.579 117.760 120.300 0.064 0.000 2.444 92 Y HA 0.129 4.679 4.550 -0.000 0.000 0.249 92 Y C 0.169 176.121 175.900 0.087 0.000 1.134 92 Y CA -0.651 57.471 58.100 0.037 0.000 1.261 92 Y CB 0.591 39.045 38.460 -0.010 0.000 1.143 92 Y HN 0.105 nan 8.280 nan 0.000 0.523 93 W N 3.757 125.053 121.300 -0.007 0.000 2.237 93 W HA 0.394 5.054 4.660 -0.000 0.000 0.289 93 W C -2.393 174.074 176.519 -0.087 0.000 0.988 93 W CA -3.590 53.713 57.345 -0.070 0.000 1.671 93 W CB 0.961 30.334 29.460 -0.146 0.000 1.746 93 W HN -0.153 nan 8.180 nan 0.000 0.380 94 P HA -0.210 nan 4.420 nan 0.000 0.219 94 P C 0.796 178.059 177.300 -0.060 0.000 1.146 94 P CA 1.795 64.911 63.100 0.026 0.000 0.808 94 P CB 0.509 32.228 31.700 0.031 0.000 0.779 95 E N -0.603 119.543 120.200 -0.089 0.000 2.347 95 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 95 E C 0.820 177.129 176.600 -0.485 0.000 1.008 95 E CA 0.196 56.461 56.400 -0.227 0.000 0.852 95 E CB -0.673 28.954 29.700 -0.123 0.000 0.783 95 E HN 0.145 nan 8.360 nan 0.000 0.505 96 L N 1.655 122.445 121.223 -0.720 0.000 2.387 96 L HA 0.124 4.464 4.340 -0.000 0.000 0.267 96 L C 0.712 177.354 176.870 -0.380 0.000 1.197 96 L CA 0.338 54.701 54.840 -0.796 0.000 1.070 96 L CB -0.059 41.307 42.059 -1.154 0.000 1.349 96 L HN 0.021 nan 8.230 nan 0.000 0.422 97 T N -0.104 114.312 114.554 -0.230 0.000 3.060 97 T HA 0.384 4.734 4.350 -0.000 0.000 0.249 97 T C 0.896 175.605 174.700 0.015 0.000 1.079 97 T CA 0.213 62.265 62.100 -0.079 0.000 1.013 97 T CB 0.016 68.844 68.868 -0.067 0.000 0.975 97 T HN 0.538 nan 8.240 nan 0.000 0.518 98 A N 1.344 124.200 122.820 0.060 0.000 2.498 98 A HA 0.561 4.881 4.320 -0.000 0.000 0.239 98 A C 1.831 179.540 177.584 0.208 0.000 1.068 98 A CA 0.248 52.374 52.037 0.149 0.000 0.766 98 A CB -0.041 19.084 19.000 0.209 0.000 1.003 98 A HN 0.572 nan 8.150 nan 0.000 0.497 99 K N 1.371 121.836 120.400 0.109 0.000 2.211 99 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 99 K C 1.748 178.385 176.600 0.061 0.000 1.047 99 K CA 1.976 58.310 56.287 0.079 0.000 0.935 99 K CB -0.728 31.788 32.500 0.027 0.000 0.728 99 K HN 0.959 nan 8.250 nan 0.000 0.452 100 Q N -1.467 118.339 119.800 0.010 0.000 2.437 100 Q HA -0.136 4.204 4.340 -0.000 0.000 0.210 100 Q C 1.198 177.094 176.000 -0.172 0.000 0.972 100 Q CA 1.099 56.812 55.803 -0.150 0.000 0.903 100 Q CB -0.441 28.096 28.738 -0.336 0.000 0.967 100 Q HN 0.830 nan 8.270 nan 0.000 0.486 101 W N 1.330 122.686 121.300 0.093 0.000 3.197 101 W HA 0.191 4.850 4.660 -0.000 0.000 0.274 101 W C 1.538 178.123 176.519 0.111 0.000 1.297 101 W CA -0.213 57.213 57.345 0.134 0.000 1.662 101 W CB 0.113 29.635 29.460 0.104 0.000 1.106 101 W HN 0.117 nan 8.180 nan 0.000 0.663 102 N N 0.194 119.032 118.700 0.232 0.000 2.091 102 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 102 N C 1.768 177.385 175.510 0.179 0.000 1.021 102 N CA 1.893 55.049 53.050 0.177 0.000 0.862 102 N CB -0.966 37.587 38.487 0.111 0.000 1.018 102 N HN 0.226 nan 8.380 nan 0.000 0.429 103 G N -0.654 108.244 108.800 0.164 0.000 3.502 103 G HA2 0.333 4.293 3.960 -0.000 0.000 0.267 103 G HA3 0.333 4.293 3.960 -0.000 0.000 0.267 103 G C 0.121 175.186 174.900 0.274 0.000 1.090 103 G CA -0.313 44.900 45.100 0.189 0.000 0.795 103 G HN 0.123 nan 8.290 nan 0.000 0.535 104 I N 2.667 123.426 120.570 0.315 0.000 2.304 104 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 104 I C 0.706 177.125 176.117 0.504 0.000 1.018 104 I CA -0.479 61.088 61.300 0.446 0.000 1.260 104 I CB 1.517 39.724 38.000 0.344 0.000 1.390 104 I HN 0.074 nan 8.210 nan 0.000 0.475 105 T N 2.959 117.849 114.554 0.559 0.000 2.936 105 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 105 T C 1.230 176.054 174.700 0.207 0.000 1.003 105 T CA -0.873 61.380 62.100 0.255 0.000 1.005 105 T CB 1.478 70.365 68.868 0.031 0.000 1.097 105 T HN 0.416 nan 8.240 nan 0.000 0.532 106 L N 0.327 121.658 121.223 0.181 0.000 2.127 106 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 106 L C 2.548 179.420 176.870 0.004 0.000 1.089 106 L CA 0.986 55.937 54.840 0.186 0.000 0.757 106 L CB -0.793 41.391 42.059 0.208 0.000 0.899 106 L HN 0.610 nan 8.230 nan 0.000 0.434 107 L N -0.579 120.582 121.223 -0.103 0.000 2.012 107 L HA -0.255 4.084 4.340 -0.000 0.000 0.210 107 L C 2.726 179.536 176.870 -0.101 0.000 1.073 107 L CA 1.903 56.614 54.840 -0.215 0.000 0.748 107 L CB -0.778 41.160 42.059 -0.202 0.000 0.891 107 L HN 0.256 nan 8.230 nan 0.000 0.431 108 H N -0.343 118.789 119.070 0.102 0.000 2.353 108 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 108 H C 2.368 177.692 175.328 -0.007 0.000 1.090 108 H CA 1.983 58.084 56.048 0.087 0.000 1.327 108 H CB -0.464 29.375 29.762 0.128 0.000 1.383 108 H HN 0.385 nan 8.280 nan 0.000 0.508 109 L N 0.170 121.476 121.223 0.138 0.000 2.027 109 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 109 L C 2.864 179.644 176.870 -0.149 0.000 1.074 109 L CA 0.982 55.865 54.840 0.072 0.000 0.745 109 L CB -0.564 41.603 42.059 0.182 0.000 0.898 109 L HN 0.202 nan 8.230 nan 0.000 0.433 110 A N -0.213 122.347 122.820 -0.433 0.000 2.019 110 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 110 A C 2.089 179.243 177.584 -0.715 0.000 1.164 110 A CA 2.035 53.574 52.037 -0.831 0.000 0.644 110 A CB -0.686 17.401 19.000 -1.522 0.000 0.805 110 A HN 0.527 nan 8.150 nan 0.000 0.449 111 T N -6.491 107.758 114.554 -0.509 0.000 3.129 111 T HA 0.331 4.681 4.350 -0.000 0.000 0.267 111 T C 0.272 174.732 174.700 -0.401 0.000 1.018 111 T CA 0.241 62.061 62.100 -0.466 0.000 0.903 111 T CB -0.771 68.126 68.868 0.048 0.000 1.067 111 T HN 0.685 nan 8.240 nan 0.000 0.549 112 Y N 0.909 121.188 120.300 -0.035 0.000 4.272 112 Y HA -0.275 4.275 4.550 0.000 0.000 0.232 112 Y C 1.152 177.012 175.900 -0.066 0.000 1.149 112 Y CA 0.520 58.600 58.100 -0.033 0.000 1.961 112 Y CB -2.900 35.552 38.460 -0.014 0.000 1.611 112 Y HN 0.589 nan 8.280 nan 0.000 0.682 113 T N -4.198 110.346 114.554 -0.017 0.000 3.215 113 T HA 0.649 4.999 4.350 -0.000 0.000 0.271 113 T C 1.353 176.014 174.700 -0.065 0.000 1.012 113 T CA 0.154 62.166 62.100 -0.148 0.000 0.899 113 T CB 0.814 69.359 68.868 -0.540 0.000 1.089 113 T HN 0.473 nan 8.240 nan 0.000 0.552 114 A N 1.348 124.195 122.820 0.045 0.000 2.119 114 A HA 0.558 4.878 4.320 -0.000 0.000 0.217 114 A C 1.892 179.542 177.584 0.110 0.000 1.153 114 A CA 0.657 52.706 52.037 0.021 0.000 0.692 114 A CB -0.810 18.206 19.000 0.027 0.000 0.799 114 A HN 1.464 nan 8.150 nan 0.000 0.458 115 G N -3.200 105.741 108.800 0.236 0.000 2.188 115 G HA2 0.403 4.363 3.960 -0.000 0.000 0.112 115 G HA3 0.403 4.363 3.960 -0.000 0.000 0.112 115 G C 0.977 176.187 174.900 0.517 0.000 1.048 115 G CA 0.357 45.693 45.100 0.393 0.000 0.720 115 G HN 1.972 nan 8.290 nan 0.000 0.487 116 G N -0.896 108.236 108.800 0.554 0.000 2.135 116 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.183 116 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.183 116 G C 0.448 175.630 174.900 0.469 0.000 1.004 116 G CA -0.014 45.362 45.100 0.460 0.000 0.677 116 G HN 1.216 nan 8.290 nan 0.000 0.512 117 L N 1.924 123.288 121.223 0.234 0.000 2.514 117 L HA 0.260 4.600 4.340 -0.000 0.000 0.280 117 L C -0.825 176.134 176.870 0.149 0.000 1.223 117 L CA -1.214 53.576 54.840 -0.083 0.000 0.864 117 L CB 0.394 42.323 42.059 -0.216 0.000 1.118 117 L HN 0.103 nan 8.230 nan 0.000 0.494 118 P HA -0.024 nan 4.420 nan 0.000 0.274 118 P C 0.525 177.897 177.300 0.120 0.000 1.231 118 P CA -0.540 62.670 63.100 0.185 0.000 0.790 118 P CB 1.138 32.974 31.700 0.226 0.000 0.951 119 L N 1.018 122.304 121.223 0.105 0.000 2.021 119 L HA -0.169 4.171 4.340 -0.000 0.000 0.215 119 L C 0.812 177.714 176.870 0.052 0.000 1.074 119 L CA 2.106 56.991 54.840 0.075 0.000 0.760 119 L CB -0.629 41.486 42.059 0.093 0.000 0.889 119 L HN 0.395 nan 8.230 nan 0.000 0.433 120 Q N -0.846 118.978 119.800 0.040 0.000 2.394 120 Q HA 0.414 4.754 4.340 -0.000 0.000 0.273 120 Q C -0.839 175.117 176.000 -0.074 0.000 1.089 120 Q CA -0.880 54.927 55.803 0.007 0.000 0.812 120 Q CB 2.018 30.752 28.738 -0.006 0.000 1.353 120 Q HN -0.085 nan 8.270 nan 0.000 0.438 121 V N 2.896 122.725 119.914 -0.142 0.000 2.715 121 V HA 0.151 4.270 4.120 -0.000 0.000 0.299 121 V C -1.957 173.938 176.094 -0.331 0.000 1.054 121 V CA -1.121 60.922 62.300 -0.428 0.000 1.077 121 V CB 0.460 32.067 31.823 -0.360 0.000 0.972 121 V HN 0.604 nan 8.190 nan 0.000 0.484 122 P HA 0.144 nan 4.420 nan 0.000 0.265 122 P C 0.802 178.019 177.300 -0.139 0.000 1.187 122 P CA 0.845 63.824 63.100 -0.203 0.000 0.766 122 P CB 0.343 31.939 31.700 -0.173 0.000 0.820 123 D N 2.016 122.377 120.400 -0.066 0.000 2.221 123 D HA -0.201 4.439 4.640 -0.000 0.000 0.204 123 D C 1.342 177.625 176.300 -0.028 0.000 0.982 123 D CA 1.327 55.307 54.000 -0.033 0.000 0.857 123 D CB -0.657 40.137 40.800 -0.010 0.000 0.934 123 D HN 0.533 nan 8.370 nan 0.000 0.475 124 E N -0.640 119.542 120.200 -0.029 0.000 2.347 124 E HA 0.153 4.503 4.350 -0.000 0.000 0.196 124 E C 0.685 177.275 176.600 -0.016 0.000 1.008 124 E CA -0.125 56.268 56.400 -0.012 0.000 0.852 124 E CB 0.437 30.138 29.700 0.002 0.000 0.783 124 E HN 0.448 nan 8.360 nan 0.000 0.505 125 V N 0.892 120.775 119.914 -0.051 0.000 2.439 125 V HA 0.315 4.435 4.120 -0.000 0.000 0.271 125 V C 0.968 177.045 176.094 -0.029 0.000 1.040 125 V CA 0.983 63.254 62.300 -0.048 0.000 1.002 125 V CB 0.693 32.427 31.823 -0.148 0.000 1.000 125 V HN 0.297 nan 8.190 nan 0.000 0.477 126 K N 3.472 123.873 120.400 0.001 0.000 2.509 126 K HA 0.317 4.636 4.320 -0.000 0.000 0.205 126 K C 1.148 177.758 176.600 0.016 0.000 1.336 126 K CA 0.659 56.949 56.287 0.005 0.000 0.912 126 K CB -0.196 32.310 32.500 0.010 0.000 1.568 126 K HN 0.753 nan 8.250 nan 0.000 0.475 127 S N 0.750 116.468 115.700 0.030 0.000 2.608 127 S HA 0.203 4.673 4.470 -0.000 0.000 0.261 127 S C 1.244 175.883 174.600 0.064 0.000 1.314 127 S CA 0.279 58.502 58.200 0.039 0.000 0.992 127 S CB 1.444 64.670 63.200 0.042 0.000 0.935 127 S HN 0.368 nan 8.310 nan 0.000 0.564 128 S N 1.068 116.807 115.700 0.064 0.000 2.382 128 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 128 S C 2.110 176.807 174.600 0.162 0.000 1.027 128 S CA 1.291 59.550 58.200 0.098 0.000 0.991 128 S CB -0.790 62.452 63.200 0.069 0.000 0.823 128 S HN 0.818 nan 8.310 nan 0.000 0.469 129 S N 1.467 117.240 115.700 0.122 0.000 2.368 129 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 129 S C 1.453 176.135 174.600 0.136 0.000 1.030 129 S CA 1.324 59.598 58.200 0.123 0.000 0.999 129 S CB -0.502 62.747 63.200 0.082 0.000 0.844 129 S HN 0.390 nan 8.310 nan 0.000 0.459 130 D N 0.943 121.414 120.400 0.119 0.000 2.144 130 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 130 D C 1.869 178.280 176.300 0.185 0.000 0.978 130 D CA 0.656 54.729 54.000 0.121 0.000 0.833 130 D CB -0.457 40.391 40.800 0.080 0.000 0.961 130 D HN 0.327 nan 8.370 nan 0.000 0.470 131 L N 0.586 121.942 121.223 0.223 0.000 2.027 131 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 131 L C 2.179 179.366 176.870 0.528 0.000 1.074 131 L CA 1.077 56.130 54.840 0.356 0.000 0.745 131 L CB -0.631 41.636 42.059 0.348 0.000 0.898 131 L HN -0.001 nan 8.230 nan 0.000 0.433 132 L N -0.374 121.129 121.223 0.467 0.000 2.042 132 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 132 L C 2.711 179.649 176.870 0.115 0.000 1.076 132 L CA 1.915 56.908 54.840 0.255 0.000 0.749 132 L CB -0.644 41.514 42.059 0.165 0.000 0.893 132 L HN 0.281 nan 8.230 nan 0.000 0.432 133 R N -1.545 119.040 120.500 0.142 0.000 2.081 133 R HA -0.236 4.104 4.340 -0.000 0.000 0.235 133 R C 2.323 178.699 176.300 0.127 0.000 1.131 133 R CA 1.911 58.074 56.100 0.104 0.000 0.960 133 R CB -0.589 29.775 30.300 0.106 0.000 0.856 133 R HN 0.459 nan 8.270 nan 0.000 0.436 134 F N 0.189 120.167 119.950 0.046 0.000 2.069 134 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 134 F C 1.435 177.265 175.800 0.049 0.000 1.113 134 F CA 1.594 59.584 58.000 -0.017 0.000 1.214 134 F CB -0.588 38.311 39.000 -0.168 0.000 0.978 134 F HN 0.022 nan 8.300 nan 0.000 0.474 135 Y N 0.412 120.698 120.300 -0.024 0.000 2.314 135 Y HA -0.146 4.404 4.550 0.000 0.000 0.293 135 Y C 2.589 178.603 175.900 0.191 0.000 1.129 135 Y CA 1.373 59.482 58.100 0.016 0.000 1.201 135 Y CB -0.877 37.592 38.460 0.016 0.000 0.999 135 Y HN 0.142 nan 8.280 nan 0.000 0.541 136 Q N 0.011 119.895 119.800 0.140 0.000 2.224 136 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 136 Q C 1.208 177.302 176.000 0.156 0.000 0.970 136 Q CA 1.291 57.170 55.803 0.126 0.000 0.865 136 Q CB -0.441 28.288 28.738 -0.014 0.000 0.922 136 Q HN 0.669 nan 8.270 nan 0.000 0.445 137 N N -0.929 117.821 118.700 0.083 0.000 2.373 137 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 137 N C -0.090 175.420 175.510 -0.001 0.000 1.082 137 N CA -0.396 52.670 53.050 0.026 0.000 0.885 137 N CB 0.206 38.699 38.487 0.009 0.000 0.977 137 N HN 0.156 nan 8.380 nan 0.000 0.462 138 W N 2.889 124.072 121.300 -0.196 0.000 2.251 138 W HA 0.081 4.741 4.660 -0.000 0.000 0.327 138 W C -0.592 175.820 176.519 -0.179 0.000 1.361 138 W CA 0.009 57.204 57.345 -0.251 0.000 1.234 138 W CB 0.555 29.820 29.460 -0.324 0.000 1.212 138 W HN -0.071 nan 8.180 nan 0.000 0.557 139 Q N 8.348 127.537 119.800 -1.020 0.000 2.331 139 Q HA 0.336 4.676 4.340 -0.000 0.000 0.267 139 Q C -2.088 172.997 176.000 -1.525 0.000 1.006 139 Q CA -2.108 53.062 55.803 -1.056 0.000 0.818 139 Q CB 1.455 29.862 28.738 -0.552 0.000 1.276 139 Q HN 0.409 nan 8.270 nan 0.000 0.450 140 P HA 0.098 nan 4.420 nan 0.000 0.271 140 P C -0.264 176.629 177.300 -0.678 0.000 1.218 140 P CA 0.048 62.482 63.100 -1.110 0.000 0.780 140 P CB 1.062 32.284 31.700 -0.797 0.000 0.901 141 A N 2.894 125.318 122.820 -0.660 0.000 2.021 141 A HA 0.105 4.425 4.320 -0.000 0.000 0.216 141 A C 0.475 177.346 177.584 -1.188 0.000 1.163 141 A CA 0.656 52.059 52.037 -1.056 0.000 0.676 141 A CB -0.219 17.744 19.000 -1.728 0.000 0.818 141 A HN 0.607 nan 8.150 nan 0.000 0.453 142 W N -2.951 118.302 121.300 -0.077 0.000 3.042 142 W HA 0.639 5.299 4.660 -0.000 0.000 0.342 142 W C -0.014 176.450 176.519 -0.091 0.000 1.240 142 W CA -1.200 56.102 57.345 -0.071 0.000 1.166 142 W CB 0.911 30.343 29.460 -0.046 0.000 1.469 142 W HN 0.126 nan 8.180 nan 0.000 0.579 143 A N 2.122 125.032 122.820 0.151 0.000 2.366 143 A HA 0.590 4.910 4.320 -0.000 0.000 0.249 143 A C -2.260 175.336 177.584 0.020 0.000 1.084 143 A CA -0.851 51.212 52.037 0.043 0.000 0.794 143 A CB -0.723 18.300 19.000 0.039 0.000 1.034 143 A HN 0.136 nan 8.150 nan 0.000 0.491 144 P HA 0.293 nan 4.420 nan 0.000 0.269 144 P C 0.784 177.948 177.300 -0.226 0.000 1.209 144 P CA 1.592 64.521 63.100 -0.286 0.000 0.776 144 P CB 0.529 31.974 31.700 -0.426 0.000 0.876 145 G N 1.530 110.141 108.800 -0.315 0.000 2.198 145 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 145 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 145 G C 0.656 175.503 174.900 -0.089 0.000 1.025 145 G CA 0.790 45.864 45.100 -0.043 0.000 0.769 145 G HN 0.689 nan 8.290 nan 0.000 0.507 146 T N -5.182 109.280 114.554 -0.153 0.000 2.987 146 T HA 0.440 4.790 4.350 -0.000 0.000 0.248 146 T C 0.555 175.109 174.700 -0.242 0.000 0.997 146 T CA 0.777 62.808 62.100 -0.114 0.000 1.013 146 T CB 0.665 69.514 68.868 -0.033 0.000 1.077 146 T HN 0.283 nan 8.240 nan 0.000 0.483 147 Q N 0.916 120.527 119.800 -0.315 0.000 2.359 147 Q HA 0.476 4.816 4.340 -0.000 0.000 0.274 147 Q C -1.396 174.406 176.000 -0.329 0.000 1.074 147 Q CA -0.513 55.022 55.803 -0.446 0.000 0.810 147 Q CB 3.183 31.357 28.738 -0.940 0.000 1.342 147 Q HN 0.381 nan 8.270 nan 0.000 0.427 148 R N 2.174 122.509 120.500 -0.275 0.000 2.229 148 R HA 0.526 4.866 4.340 -0.000 0.000 0.328 148 R C -1.191 175.085 176.300 -0.040 0.000 1.009 148 R CA -0.537 55.491 56.100 -0.120 0.000 0.864 148 R CB 0.446 30.711 30.300 -0.058 0.000 1.085 148 R HN 0.457 nan 8.270 nan 0.000 0.453 149 L N 5.968 127.240 121.223 0.082 0.000 2.415 149 L HA 0.270 4.609 4.340 -0.000 0.000 0.268 149 L C -1.388 175.531 176.870 0.081 0.000 0.984 149 L CA -0.736 54.176 54.840 0.121 0.000 0.853 149 L CB 0.997 43.219 42.059 0.272 0.000 1.215 149 L HN 0.601 nan 8.230 nan 0.000 0.419 150 Y N 4.785 124.964 120.300 -0.201 0.000 2.805 150 Y HA 0.358 4.908 4.550 -0.000 0.000 0.331 150 Y C 0.047 175.770 175.900 -0.295 0.000 1.241 150 Y CA 0.977 58.733 58.100 -0.574 0.000 1.546 150 Y CB 0.404 38.592 38.460 -0.453 0.000 1.248 150 Y HN 0.817 nan 8.280 nan 0.000 0.559 151 A N 5.602 127.979 122.820 -0.738 0.000 2.491 151 A HA 0.306 4.626 4.320 -0.000 0.000 0.293 151 A C -0.097 177.388 177.584 -0.164 0.000 1.047 151 A CA -0.892 51.003 52.037 -0.237 0.000 0.735 151 A CB 0.835 19.850 19.000 0.024 0.000 1.281 151 A HN 0.763 nan 8.150 nan 0.000 0.398 152 N N 1.056 119.708 118.700 -0.081 0.000 2.244 152 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 152 N C 1.969 177.533 175.510 0.089 0.000 1.016 152 N CA 1.845 54.916 53.050 0.035 0.000 0.866 152 N CB -0.047 38.522 38.487 0.137 0.000 0.980 152 N HN 0.827 nan 8.380 nan 0.000 0.430 153 S N -1.177 114.591 115.700 0.113 0.000 2.515 153 S HA 0.046 4.516 4.470 -0.000 0.000 0.231 153 S C 1.986 176.745 174.600 0.266 0.000 0.987 153 S CA 0.863 59.191 58.200 0.214 0.000 0.936 153 S CB 0.021 63.356 63.200 0.225 0.000 0.766 153 S HN 0.178 nan 8.310 nan 0.000 0.528 154 S N 1.156 116.964 115.700 0.180 0.000 2.370 154 S HA 0.261 4.731 4.470 -0.000 0.000 0.214 154 S C 1.621 176.298 174.600 0.128 0.000 1.033 154 S CA 0.408 58.704 58.200 0.160 0.000 0.941 154 S CB -0.538 62.774 63.200 0.187 0.000 0.886 154 S HN 0.556 nan 8.310 nan 0.000 0.521 155 I N 1.322 121.966 120.570 0.122 0.000 2.493 155 I HA 0.005 4.175 4.170 -0.000 0.000 0.254 155 I C 2.099 178.281 176.117 0.109 0.000 1.160 155 I CA 1.188 62.545 61.300 0.095 0.000 1.445 155 I CB -0.552 37.486 38.000 0.063 0.000 1.086 155 I HN 0.478 nan 8.210 nan 0.000 0.433 156 G N 0.944 109.776 108.800 0.053 0.000 2.418 156 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 156 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 156 G C 1.532 176.377 174.900 -0.093 0.000 1.158 156 G CA 0.856 45.922 45.100 -0.057 0.000 0.771 156 G HN 0.390 nan 8.290 nan 0.000 0.545 157 L N -0.319 120.897 121.223 -0.011 0.000 2.109 157 L HA 0.196 4.536 4.340 -0.000 0.000 0.207 157 L C 2.399 179.209 176.870 -0.100 0.000 1.086 157 L CA 1.307 56.078 54.840 -0.115 0.000 0.760 157 L CB -0.680 41.265 42.059 -0.189 0.000 0.910 157 L HN 0.220 nan 8.230 nan 0.000 0.437 158 F N 0.480 120.356 119.950 -0.124 0.000 2.095 158 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 158 F C 2.159 177.884 175.800 -0.124 0.000 1.104 158 F CA 1.828 59.757 58.000 -0.118 0.000 1.232 158 F CB -1.025 37.916 39.000 -0.099 0.000 0.987 158 F HN 0.115 nan 8.300 nan 0.000 0.475 159 G N -0.357 108.303 108.800 -0.234 0.000 2.418 159 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 159 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 159 G C 1.822 176.553 174.900 -0.281 0.000 1.158 159 G CA 0.902 45.837 45.100 -0.275 0.000 0.771 159 G HN 0.658 nan 8.290 nan 0.000 0.545 160 A N 0.468 123.071 122.820 -0.362 0.000 1.930 160 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 160 A C 2.412 179.813 177.584 -0.305 0.000 1.175 160 A CA 1.205 53.048 52.037 -0.322 0.000 0.627 160 A CB -0.325 18.446 19.000 -0.381 0.000 0.815 160 A HN 0.357 nan 8.150 nan 0.000 0.443 161 L N -1.049 119.963 121.223 -0.352 0.000 2.179 161 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 161 L C 2.990 179.632 176.870 -0.381 0.000 1.096 161 L CA 0.777 55.427 54.840 -0.317 0.000 0.779 161 L CB -0.581 41.334 42.059 -0.240 0.000 0.922 161 L HN 0.415 nan 8.230 nan 0.000 0.443 162 A N 0.428 122.926 122.820 -0.537 0.000 1.972 162 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 162 A C 2.145 179.530 177.584 -0.331 0.000 1.169 162 A CA 1.869 53.558 52.037 -0.581 0.000 0.635 162 A CB -0.665 17.830 19.000 -0.842 0.000 0.810 162 A HN 0.351 nan 8.150 nan 0.000 0.446 163 V N -4.014 115.763 119.914 -0.227 0.000 3.608 163 V HA 0.087 4.207 4.120 -0.000 0.000 0.269 163 V C 1.663 177.690 176.094 -0.112 0.000 1.245 163 V CA 0.864 63.074 62.300 -0.151 0.000 1.138 163 V CB -0.381 31.379 31.823 -0.104 0.000 0.841 163 V HN 0.263 nan 8.190 nan 0.000 0.451 164 K N 1.383 121.717 120.400 -0.110 0.000 2.063 164 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 164 K C 0.192 176.784 176.600 -0.013 0.000 1.048 164 K CA 1.978 58.231 56.287 -0.057 0.000 0.928 164 K CB -1.634 30.847 32.500 -0.031 0.000 0.713 164 K HN 0.468 nan 8.250 nan 0.000 0.442 165 P HA -0.121 nan 4.420 nan 0.000 0.218 165 P C 1.508 178.804 177.300 -0.007 0.000 1.148 165 P CA 1.515 64.635 63.100 0.034 0.000 0.822 165 P CB -0.043 31.699 31.700 0.071 0.000 0.784 166 S N -1.573 114.105 115.700 -0.036 0.000 2.447 166 S HA 0.038 4.508 4.470 -0.000 0.000 0.233 166 S C 1.909 176.482 174.600 -0.046 0.000 1.006 166 S CA 1.065 59.236 58.200 -0.049 0.000 0.957 166 S CB -1.482 61.672 63.200 -0.077 0.000 0.773 166 S HN 0.291 nan 8.310 nan 0.000 0.507 167 G N 0.678 109.451 108.800 -0.044 0.000 2.184 167 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.264 167 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.264 167 G C 0.003 174.871 174.900 -0.052 0.000 0.975 167 G CA 0.538 45.613 45.100 -0.042 0.000 0.642 167 G HN 0.583 nan 8.290 nan 0.000 0.536 168 L N 1.617 122.799 121.223 -0.068 0.000 2.399 168 L HA 0.578 4.918 4.340 -0.000 0.000 0.266 168 L C 1.479 178.302 176.870 -0.079 0.000 1.114 168 L CA -0.245 54.547 54.840 -0.080 0.000 0.804 168 L CB 1.325 43.318 42.059 -0.109 0.000 1.146 168 L HN 0.388 nan 8.230 nan 0.000 0.451 169 S N 0.441 116.099 115.700 -0.070 0.000 2.593 169 S HA 0.049 4.519 4.470 -0.000 0.000 0.269 169 S C 0.853 175.422 174.600 -0.052 0.000 1.334 169 S CA -0.400 57.774 58.200 -0.044 0.000 1.015 169 S CB 0.484 63.665 63.200 -0.032 0.000 0.912 169 S HN 0.545 nan 8.310 nan 0.000 0.541 170 F N 1.226 121.083 119.950 -0.154 0.000 2.095 170 F HA -0.117 4.409 4.527 -0.000 0.000 0.298 170 F C 2.498 178.181 175.800 -0.195 0.000 1.104 170 F CA 2.289 60.181 58.000 -0.181 0.000 1.232 170 F CB -0.418 38.473 39.000 -0.181 0.000 0.987 170 F HN 0.944 nan 8.300 nan 0.000 0.475 171 E N -0.602 119.555 120.200 -0.073 0.000 2.077 171 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 171 E C 2.177 178.615 176.600 -0.270 0.000 0.989 171 E CA 1.267 57.565 56.400 -0.170 0.000 0.800 171 E CB -0.118 29.571 29.700 -0.018 0.000 0.746 171 E HN 0.383 nan 8.360 nan 0.000 0.452 172 Q N -0.047 119.639 119.800 -0.191 0.000 2.119 172 Q HA -0.098 4.242 4.340 -0.000 0.000 0.201 172 Q C 2.059 177.899 176.000 -0.267 0.000 0.972 172 Q CA 1.343 57.033 55.803 -0.188 0.000 0.847 172 Q CB -0.338 28.329 28.738 -0.118 0.000 0.903 172 Q HN 0.386 nan 8.270 nan 0.000 0.433 173 A N 0.520 123.149 122.820 -0.319 0.000 1.877 173 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 173 A C 2.143 179.436 177.584 -0.484 0.000 1.186 173 A CA 1.814 53.639 52.037 -0.352 0.000 0.620 173 A CB -0.468 18.314 19.000 -0.365 0.000 0.822 173 A HN 0.341 nan 8.150 nan 0.000 0.443 174 M N -0.124 119.044 119.600 -0.719 0.000 2.117 174 M HA -0.184 4.296 4.480 -0.000 0.000 0.262 174 M C 2.142 177.843 176.300 -1.000 0.000 1.065 174 M CA 1.952 56.687 55.300 -0.941 0.000 1.114 174 M CB -0.578 31.292 32.600 -1.216 0.000 1.361 174 M HN 0.529 nan 8.290 nan 0.000 0.408 175 Q N -1.106 118.238 119.800 -0.760 0.000 2.050 175 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 175 Q C 1.934 177.753 176.000 -0.303 0.000 0.980 175 Q CA 2.313 57.818 55.803 -0.497 0.000 0.840 175 Q CB -0.464 28.097 28.738 -0.295 0.000 0.898 175 Q HN 0.766 nan 8.270 nan 0.000 0.424 176 T N -1.967 112.430 114.554 -0.261 0.000 3.043 176 T HA 0.033 4.383 4.350 -0.000 0.000 0.263 176 T C 1.659 176.270 174.700 -0.148 0.000 1.094 176 T CA 0.482 62.481 62.100 -0.169 0.000 1.127 176 T CB 0.071 68.856 68.868 -0.138 0.000 0.905 176 T HN 0.135 nan 8.240 nan 0.000 0.490 177 R N -0.185 120.199 120.500 -0.193 0.000 2.282 177 R HA 0.397 4.737 4.340 -0.000 0.000 0.195 177 R C 1.498 177.743 176.300 -0.091 0.000 0.909 177 R CA 0.191 56.211 56.100 -0.134 0.000 1.039 177 R CB 0.496 30.706 30.300 -0.150 0.000 1.015 177 R HN 0.286 nan 8.270 nan 0.000 0.513 178 V N -0.863 118.965 119.914 -0.143 0.000 3.054 178 V HA 0.029 4.149 4.120 -0.000 0.000 0.227 178 V C 1.365 177.541 176.094 0.136 0.000 1.252 178 V CA 0.511 62.813 62.300 0.003 0.000 1.279 178 V CB -0.273 31.538 31.823 -0.021 0.000 1.118 178 V HN -0.022 nan 8.190 nan 0.000 0.504 179 F N 1.512 121.387 119.950 -0.125 0.000 2.102 179 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 179 F C 2.589 178.304 175.800 -0.141 0.000 1.105 179 F CA 1.361 59.256 58.000 -0.175 0.000 1.239 179 F CB -1.224 37.564 39.000 -0.353 0.000 0.991 179 F HN 0.206 nan 8.300 nan 0.000 0.474 180 Q N -0.267 119.559 119.800 0.044 0.000 2.046 180 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 180 Q C -0.343 175.659 176.000 0.003 0.000 0.975 180 Q CA 1.530 57.323 55.803 -0.016 0.000 0.836 180 Q CB -1.441 27.263 28.738 -0.057 0.000 0.896 180 Q HN 0.279 nan 8.270 nan 0.000 0.428 181 P HA -0.143 nan 4.420 nan 0.000 0.218 181 P C 0.685 178.013 177.300 0.047 0.000 1.149 181 P CA 1.183 64.297 63.100 0.023 0.000 0.817 181 P CB 0.056 31.771 31.700 0.025 0.000 0.785 182 L N -1.384 119.893 121.223 0.089 0.000 2.591 182 L HA 0.137 4.477 4.340 -0.000 0.000 0.228 182 L C 0.375 177.292 176.870 0.079 0.000 1.133 182 L CA 0.120 55.028 54.840 0.113 0.000 0.880 182 L CB -0.725 41.468 42.059 0.224 0.000 1.033 182 L HN -0.038 nan 8.230 nan 0.000 0.450 183 K N 0.934 121.357 120.400 0.038 0.000 3.096 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.266 183 K C -0.344 176.248 176.600 -0.014 0.000 1.043 183 K CA 0.380 56.668 56.287 0.002 0.000 0.758 183 K CB -1.722 30.784 32.500 0.010 0.000 1.260 183 K HN 0.332 nan 8.250 nan 0.000 0.481 184 L N 1.315 122.513 121.223 -0.042 0.000 2.358 184 L HA 0.137 4.477 4.340 -0.000 0.000 0.274 184 L C 0.940 177.643 176.870 -0.277 0.000 1.136 184 L CA -0.527 54.234 54.840 -0.133 0.000 0.970 184 L CB 0.224 42.160 42.059 -0.205 0.000 1.314 184 L HN 0.148 nan 8.230 nan 0.000 0.427 185 N N 0.381 118.942 118.700 -0.231 0.000 2.398 185 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 185 N C 0.567 175.663 175.510 -0.691 0.000 1.122 185 N CA 0.611 53.416 53.050 -0.409 0.000 0.866 185 N CB 0.200 38.482 38.487 -0.342 0.000 0.970 185 N HN 0.490 nan 8.380 nan 0.000 0.462 186 H N -1.010 117.961 119.070 -0.166 0.000 2.651 186 H HA 0.280 4.836 4.556 -0.000 0.000 0.241 186 H C -0.410 174.805 175.328 -0.189 0.000 1.225 186 H CA -0.089 55.930 56.048 -0.049 0.000 0.942 186 H CB 0.361 30.122 29.762 -0.003 0.000 1.996 186 H HN -0.140 nan 8.280 nan 0.000 0.600 187 T N 0.858 115.081 114.554 -0.552 0.000 2.812 187 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 187 T C -0.787 173.215 174.700 -1.164 0.000 0.990 187 T CA -0.441 61.158 62.100 -0.835 0.000 0.960 187 T CB 1.466 69.601 68.868 -1.221 0.000 0.948 187 T HN 0.236 nan 8.240 nan 0.000 0.438 188 W N 1.736 122.731 121.300 -0.508 0.000 3.217 188 W HA 0.548 5.208 4.660 0.000 0.000 0.323 188 W C 0.566 176.967 176.519 -0.197 0.000 1.216 188 W CA -0.790 56.399 57.345 -0.260 0.000 1.194 188 W CB 1.154 30.463 29.460 -0.252 0.000 1.397 188 W HN 0.492 nan 8.180 nan 0.000 0.537 189 I N 1.219 121.909 120.570 0.201 0.000 2.585 189 I HA 0.008 4.178 4.170 -0.000 0.000 0.254 189 I C -0.050 176.101 176.117 0.057 0.000 1.129 189 I CA 0.746 62.100 61.300 0.091 0.000 1.455 189 I CB -0.011 38.051 38.000 0.104 0.000 1.111 189 I HN 0.338 nan 8.210 nan 0.000 0.433 190 N N 0.174 118.951 118.700 0.127 0.000 2.483 190 N HA 0.287 5.027 4.740 -0.000 0.000 0.267 190 N C -0.899 174.547 175.510 -0.106 0.000 0.998 190 N CA -0.309 52.743 53.050 0.003 0.000 0.918 190 N CB 2.376 40.870 38.487 0.012 0.000 1.215 190 N HN -0.208 nan 8.380 nan 0.000 0.500 191 V N 4.395 124.148 119.914 -0.268 0.000 2.479 191 V HA 0.164 4.284 4.120 -0.000 0.000 0.281 191 V C -1.430 174.348 176.094 -0.527 0.000 1.031 191 V CA -0.894 61.102 62.300 -0.507 0.000 1.038 191 V CB 0.003 31.485 31.823 -0.569 0.000 0.981 191 V HN 0.610 nan 8.190 nan 0.000 0.478 192 P HA 0.286 nan 4.420 nan 0.000 0.276 192 P C -2.340 174.737 177.300 -0.372 0.000 1.252 192 P CA -1.863 60.877 63.100 -0.601 0.000 0.802 192 P CB 0.661 31.849 31.700 -0.853 0.000 1.035 193 P HA -0.204 nan 4.420 nan 0.000 0.216 193 P C 1.494 178.717 177.300 -0.129 0.000 1.154 193 P CA 2.276 65.291 63.100 -0.142 0.000 0.865 193 P CB -0.477 31.163 31.700 -0.100 0.000 0.789 194 A N -0.337 122.391 122.820 -0.153 0.000 2.019 194 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 194 A C 1.993 179.522 177.584 -0.092 0.000 1.164 194 A CA 1.472 53.448 52.037 -0.102 0.000 0.644 194 A CB -0.757 18.189 19.000 -0.089 0.000 0.805 194 A HN 0.119 nan 8.150 nan 0.000 0.449 195 E N -0.514 119.587 120.200 -0.165 0.000 2.474 195 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 195 E C 1.343 177.897 176.600 -0.078 0.000 1.039 195 E CA 0.107 56.436 56.400 -0.119 0.000 0.881 195 E CB -0.014 29.559 29.700 -0.213 0.000 0.970 195 E HN 0.746 nan 8.360 nan 0.000 0.486 196 E N 1.340 121.499 120.200 -0.068 0.000 2.118 196 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 196 E C 1.932 178.551 176.600 0.032 0.000 0.992 196 E CA 1.359 57.762 56.400 0.006 0.000 0.804 196 E CB -0.117 29.586 29.700 0.005 0.000 0.741 196 E HN 0.242 nan 8.360 nan 0.000 0.458 197 K N 0.316 120.729 120.400 0.020 0.000 2.362 197 K HA -0.102 4.218 4.320 -0.000 0.000 0.200 197 K C 0.913 177.536 176.600 0.039 0.000 1.046 197 K CA 1.545 57.853 56.287 0.036 0.000 0.952 197 K CB -0.088 32.428 32.500 0.028 0.000 0.753 197 K HN 0.075 nan 8.250 nan 0.000 0.466 198 N N -0.451 118.268 118.700 0.033 0.000 2.236 198 N HA 0.009 4.749 4.740 -0.000 0.000 0.196 198 N C -0.864 174.678 175.510 0.054 0.000 1.114 198 N CA -0.417 52.652 53.050 0.030 0.000 0.859 198 N CB 0.324 38.819 38.487 0.012 0.000 0.982 198 N HN 0.202 nan 8.380 nan 0.000 0.493 199 Y N 2.296 122.518 120.300 -0.130 0.000 2.486 199 Y HA 0.377 4.927 4.550 -0.000 0.000 0.348 199 Y C 0.260 176.051 175.900 -0.182 0.000 1.000 199 Y CA -1.417 56.563 58.100 -0.199 0.000 1.253 199 Y CB 0.287 38.567 38.460 -0.300 0.000 1.140 199 Y HN -0.018 nan 8.280 nan 0.000 0.526 200 A N 6.192 129.063 122.820 0.083 0.000 2.466 200 A HA -0.001 4.319 4.320 -0.000 0.000 0.238 200 A C -1.040 176.538 177.584 -0.010 0.000 1.074 200 A CA -0.179 51.864 52.037 0.011 0.000 0.774 200 A CB 0.256 19.206 19.000 -0.083 0.000 1.015 200 A HN 0.935 nan 8.150 nan 0.000 0.498 201 W N 0.521 121.824 121.300 0.005 0.000 2.313 201 W HA 0.487 5.147 4.660 0.000 0.000 0.328 201 W C 0.882 177.101 176.519 -0.499 0.000 1.197 201 W CA 0.543 57.704 57.345 -0.306 0.000 1.235 201 W CB 1.162 30.280 29.460 -0.570 0.000 1.158 201 W HN 0.927 nan 8.180 nan 0.000 0.578 202 G N 1.196 109.799 108.800 -0.329 0.000 2.451 202 G HA2 0.516 4.476 3.960 -0.000 0.000 0.303 202 G HA3 0.516 4.476 3.960 -0.000 0.000 0.303 202 G C -2.163 172.340 174.900 -0.660 0.000 1.166 202 G CA -0.503 44.126 45.100 -0.785 0.000 0.884 202 G HN 0.429 nan 8.290 nan 0.000 0.514 203 Y N -0.135 120.081 120.300 -0.140 0.000 2.338 203 Y HA 0.520 5.070 4.550 -0.000 0.000 0.333 203 Y C 0.452 176.345 175.900 -0.013 0.000 0.968 203 Y CA -0.784 57.290 58.100 -0.045 0.000 1.123 203 Y CB 2.238 40.678 38.460 -0.033 0.000 1.165 203 Y HN 0.450 nan 8.280 nan 0.000 0.452 204 R N 2.379 122.941 120.500 0.103 0.000 2.451 204 R HA 0.506 4.846 4.340 -0.000 0.000 0.307 204 R C -0.060 176.285 176.300 0.075 0.000 0.965 204 R CA 0.395 56.545 56.100 0.083 0.000 0.865 204 R CB 1.086 31.421 30.300 0.059 0.000 1.174 204 R HN 0.924 nan 8.270 nan 0.000 0.455 205 E N 2.107 122.350 120.200 0.071 0.000 2.297 205 E HA -0.221 4.129 4.350 -0.000 0.000 0.228 205 E C 0.757 177.390 176.600 0.054 0.000 1.213 205 E CA 1.508 57.938 56.400 0.051 0.000 0.712 205 E CB -2.445 27.276 29.700 0.035 0.000 1.202 205 E HN 1.415 nan 8.360 nan 0.000 0.376 206 G N -3.056 105.794 108.800 0.084 0.000 2.220 206 G HA2 0.121 4.081 3.960 -0.000 0.000 0.269 206 G HA3 0.121 4.081 3.960 -0.000 0.000 0.269 206 G C 0.803 175.792 174.900 0.148 0.000 0.977 206 G CA 1.848 47.004 45.100 0.092 0.000 0.634 206 G HN 2.229 nan 8.290 nan 0.000 0.539 207 K N -0.060 120.404 120.400 0.106 0.000 2.172 207 K HA 0.933 5.253 4.320 -0.000 0.000 0.276 207 K C 0.342 176.906 176.600 -0.061 0.000 1.013 207 K CA 0.445 56.747 56.287 0.025 0.000 0.913 207 K CB 1.277 33.763 32.500 -0.023 0.000 1.055 207 K HN 1.892 nan 8.250 nan 0.000 0.461 208 A N 1.220 123.893 122.820 -0.245 0.000 2.409 208 A HA 0.592 4.912 4.320 -0.000 0.000 0.262 208 A C 0.261 177.640 177.584 -0.341 0.000 1.113 208 A CA 0.223 51.903 52.037 -0.594 0.000 0.790 208 A CB -0.477 17.969 19.000 -0.923 0.000 1.046 208 A HN 1.900 nan 8.150 nan 0.000 0.496 209 V N 0.833 120.680 119.914 -0.111 0.000 3.012 209 V HA 0.660 4.780 4.120 -0.000 0.000 0.307 209 V C -0.810 175.411 176.094 0.212 0.000 1.166 209 V CA -0.833 61.522 62.300 0.091 0.000 0.974 209 V CB 1.160 33.018 31.823 0.058 0.000 1.040 209 V HN 0.980 nan 8.190 nan 0.000 0.428 210 H N 0.661 119.872 119.070 0.235 0.000 2.621 210 H HA 0.697 5.253 4.556 -0.000 0.000 0.360 210 H C -0.415 175.009 175.328 0.161 0.000 1.163 210 H CA -0.959 55.160 56.048 0.119 0.000 1.194 210 H CB 2.304 32.001 29.762 -0.109 0.000 1.649 210 H HN 0.807 nan 8.280 nan 0.000 0.532 211 V N 2.811 122.913 119.914 0.313 0.000 2.694 211 V HA -0.008 4.112 4.120 -0.000 0.000 0.306 211 V C 0.125 176.340 176.094 0.202 0.000 1.054 211 V CA 0.207 62.647 62.300 0.232 0.000 1.161 211 V CB 0.590 32.550 31.823 0.228 0.000 0.916 211 V HN 0.866 nan 8.190 nan 0.000 0.490 212 S N 6.867 122.669 115.700 0.169 0.000 2.610 212 S HA 0.619 5.089 4.470 -0.000 0.000 0.273 212 S C -2.462 172.230 174.600 0.153 0.000 1.274 212 S CA -1.194 57.091 58.200 0.142 0.000 1.023 212 S CB 1.003 64.267 63.200 0.107 0.000 0.962 212 S HN 0.759 nan 8.310 nan 0.000 0.523 213 P HA 0.494 nan 4.420 nan 0.000 0.268 213 P C -0.010 177.348 177.300 0.097 0.000 1.205 213 P CA 0.062 63.215 63.100 0.088 0.000 0.771 213 P CB 0.403 32.136 31.700 0.055 0.000 0.858 214 G N 0.259 109.108 108.800 0.083 0.000 2.673 214 G HA2 0.554 4.514 3.960 -0.000 0.000 0.292 214 G HA3 0.554 4.514 3.960 -0.000 0.000 0.292 214 G C -1.407 173.497 174.900 0.007 0.000 1.450 214 G CA -0.497 44.654 45.100 0.086 0.000 0.837 214 G HN 0.537 nan 8.290 nan 0.000 0.505 215 A N 0.377 123.191 122.820 -0.009 0.000 2.511 215 A HA 0.547 4.867 4.320 -0.000 0.000 0.242 215 A C 1.427 178.958 177.584 -0.088 0.000 1.069 215 A CA 0.488 52.496 52.037 -0.049 0.000 0.763 215 A CB -0.325 18.644 19.000 -0.050 0.000 1.001 215 A HN 1.761 nan 8.150 nan 0.000 0.498 216 L N 0.314 121.450 121.223 -0.144 0.000 4.179 216 L HA -0.322 4.018 4.340 -0.000 0.000 0.418 216 L C 1.240 177.879 176.870 -0.384 0.000 1.168 216 L CA 0.699 55.400 54.840 -0.232 0.000 0.972 216 L CB -1.687 40.294 42.059 -0.132 0.000 2.005 216 L HN 1.022 nan 8.230 nan 0.000 0.935 217 D N 0.136 120.273 120.400 -0.439 0.000 2.117 217 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 217 D C 1.955 177.824 176.300 -0.717 0.000 0.987 217 D CA 1.422 54.891 54.000 -0.885 0.000 0.829 217 D CB -0.102 40.382 40.800 -0.526 0.000 0.961 217 D HN 0.441 nan 8.370 nan 0.000 0.460 218 A N 0.837 123.408 122.820 -0.415 0.000 1.908 218 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 218 A C 2.111 179.489 177.584 -0.344 0.000 1.181 218 A CA 1.977 53.855 52.037 -0.265 0.000 0.627 218 A CB -0.699 18.228 19.000 -0.122 0.000 0.818 218 A HN 0.236 nan 8.150 nan 0.000 0.445 219 E N -0.525 119.273 120.200 -0.669 0.000 2.208 219 E HA 0.153 4.503 4.350 -0.000 0.000 0.193 219 E C 1.878 178.314 176.600 -0.274 0.000 0.988 219 E CA 1.130 57.081 56.400 -0.749 0.000 0.828 219 E CB -0.177 28.991 29.700 -0.887 0.000 0.763 219 E HN 0.601 nan 8.360 nan 0.000 0.478 220 A N -0.430 122.227 122.820 -0.271 0.000 2.108 220 A HA 0.125 4.445 4.320 -0.000 0.000 0.206 220 A C 0.627 178.273 177.584 0.104 0.000 1.212 220 A CA 0.346 52.352 52.037 -0.052 0.000 0.843 220 A CB 0.061 19.082 19.000 0.035 0.000 0.902 220 A HN 0.392 nan 8.150 nan 0.000 0.477 221 Y N -4.333 115.981 120.300 0.025 0.000 3.070 221 Y HA 0.454 5.004 4.550 -0.000 0.000 0.254 221 Y C 0.852 176.766 175.900 0.023 0.000 1.070 221 Y CA -0.522 57.606 58.100 0.047 0.000 1.229 221 Y CB -0.472 38.023 38.460 0.058 0.000 1.264 221 Y HN -0.022 nan 8.280 nan 0.000 0.639 222 G N 0.689 109.439 108.800 -0.083 0.000 3.042 222 G HA2 0.335 4.295 3.960 -0.000 0.000 0.212 222 G HA3 0.335 4.295 3.960 -0.000 0.000 0.212 222 G C -0.142 174.733 174.900 -0.042 0.000 1.166 222 G CA 0.164 45.224 45.100 -0.067 0.000 0.767 222 G HN 0.127 nan 8.290 nan 0.000 0.546 223 V N 0.502 120.384 119.914 -0.053 0.000 2.567 223 V HA 0.434 4.554 4.120 -0.000 0.000 0.289 223 V C -0.342 175.637 176.094 -0.192 0.000 1.049 223 V CA -0.537 61.666 62.300 -0.161 0.000 0.969 223 V CB 1.527 33.151 31.823 -0.332 0.000 0.995 223 V HN 0.121 nan 8.190 nan 0.000 0.471 224 K N 2.402 122.648 120.400 -0.257 0.000 2.270 224 K HA 0.783 5.103 4.320 -0.000 0.000 0.255 224 K C -0.559 175.885 176.600 -0.260 0.000 0.936 224 K CA -0.154 55.966 56.287 -0.278 0.000 0.809 224 K CB 1.996 34.219 32.500 -0.462 0.000 1.131 224 K HN 0.702 nan 8.250 nan 0.000 0.427 225 S N 0.313 115.931 115.700 -0.138 0.000 2.596 225 S HA 0.608 5.078 4.470 -0.000 0.000 0.270 225 S C -1.108 173.546 174.600 0.090 0.000 1.155 225 S CA -0.723 57.416 58.200 -0.103 0.000 0.827 225 S CB 1.001 64.097 63.200 -0.174 0.000 1.130 225 S HN 0.676 nan 8.310 nan 0.000 0.467 226 T N 0.261 114.873 114.554 0.096 0.000 2.912 226 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 226 T C 1.258 176.069 174.700 0.185 0.000 0.989 226 T CA -0.531 61.677 62.100 0.179 0.000 0.995 226 T CB 0.759 69.680 68.868 0.088 0.000 1.077 226 T HN 0.442 nan 8.240 nan 0.000 0.531 227 I N 0.507 121.203 120.570 0.211 0.000 2.394 227 I HA -0.019 4.151 4.170 -0.000 0.000 0.251 227 I C 2.488 178.743 176.117 0.230 0.000 1.136 227 I CA 1.459 62.893 61.300 0.223 0.000 1.425 227 I CB -0.571 37.587 38.000 0.264 0.000 1.079 227 I HN 0.968 nan 8.210 nan 0.000 0.425 228 E N 0.038 120.271 120.200 0.055 0.000 2.072 228 E HA -0.254 4.095 4.350 -0.000 0.000 0.191 228 E C 1.591 178.279 176.600 0.146 0.000 0.985 228 E CA 1.578 57.992 56.400 0.024 0.000 0.801 228 E CB -0.093 29.502 29.700 -0.175 0.000 0.750 228 E HN 0.441 nan 8.360 nan 0.000 0.452 229 D N -0.053 120.416 120.400 0.114 0.000 2.144 229 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 229 D C 1.837 178.257 176.300 0.200 0.000 0.978 229 D CA 0.858 54.926 54.000 0.113 0.000 0.833 229 D CB -0.031 40.776 40.800 0.012 0.000 0.961 229 D HN 0.241 nan 8.370 nan 0.000 0.470 230 M N 0.275 120.011 119.600 0.226 0.000 2.229 230 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 230 M C 2.171 178.662 176.300 0.318 0.000 1.063 230 M CA 0.582 56.073 55.300 0.318 0.000 1.114 230 M CB -0.973 31.796 32.600 0.282 0.000 1.387 230 M HN -0.029 nan 8.290 nan 0.000 0.420 231 A N -0.217 122.769 122.820 0.277 0.000 1.930 231 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 231 A C 2.371 180.041 177.584 0.145 0.000 1.175 231 A CA 1.715 53.875 52.037 0.206 0.000 0.627 231 A CB -0.652 18.504 19.000 0.261 0.000 0.815 231 A HN 0.455 nan 8.150 nan 0.000 0.443 232 R N -1.369 119.241 120.500 0.183 0.000 2.115 232 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 232 R C 2.102 178.513 176.300 0.185 0.000 1.111 232 R CA 1.368 57.554 56.100 0.143 0.000 0.976 232 R CB -0.344 30.045 30.300 0.148 0.000 0.870 232 R HN 0.834 nan 8.270 nan 0.000 0.445 233 W N 0.307 121.632 121.300 0.041 0.000 2.358 233 W HA -0.187 4.473 4.660 0.000 0.000 0.303 233 W C 1.370 177.830 176.519 -0.097 0.000 1.208 233 W CA 1.137 58.493 57.345 0.019 0.000 1.274 233 W CB -0.037 29.487 29.460 0.107 0.000 1.138 233 W HN -0.045 nan 8.180 nan 0.000 0.515 234 V N 1.405 121.278 119.914 -0.068 0.000 2.343 234 V HA -0.341 3.778 4.120 -0.000 0.000 0.247 234 V C 2.398 178.177 176.094 -0.524 0.000 1.051 234 V CA 2.232 64.277 62.300 -0.425 0.000 1.036 234 V CB -1.024 30.677 31.823 -0.203 0.000 0.654 234 V HN 0.248 nan 8.190 nan 0.000 0.451 235 Q N -0.219 119.419 119.800 -0.270 0.000 2.096 235 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 235 Q C 2.475 178.297 176.000 -0.296 0.000 0.982 235 Q CA 1.982 57.635 55.803 -0.250 0.000 0.850 235 Q CB -0.276 28.386 28.738 -0.125 0.000 0.901 235 Q HN 0.613 nan 8.270 nan 0.000 0.422 236 S N 0.863 116.400 115.700 -0.272 0.000 2.383 236 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 236 S C 1.506 175.848 174.600 -0.430 0.000 1.026 236 S CA 0.884 58.925 58.200 -0.264 0.000 0.981 236 S CB -0.139 62.975 63.200 -0.144 0.000 0.818 236 S HN 0.375 nan 8.310 nan 0.000 0.472 237 N N 0.999 119.268 118.700 -0.717 0.000 2.416 237 N HA 0.156 4.896 4.740 -0.000 0.000 0.177 237 N C 1.539 176.554 175.510 -0.824 0.000 1.036 237 N CA 0.425 52.959 53.050 -0.860 0.000 0.901 237 N CB -0.075 37.651 38.487 -1.268 0.000 0.976 237 N HN 0.332 nan 8.380 nan 0.000 0.444 238 L N 1.326 122.053 121.223 -0.826 0.000 2.109 238 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 238 L C 1.230 177.926 176.870 -0.290 0.000 1.086 238 L CA 0.979 55.508 54.840 -0.518 0.000 0.760 238 L CB -0.005 41.795 42.059 -0.431 0.000 0.910 238 L HN 0.089 nan 8.230 nan 0.000 0.437 239 K N 0.079 120.316 120.400 -0.272 0.000 2.920 239 K HA 0.292 4.612 4.320 -0.000 0.000 0.175 239 K C -2.208 174.297 176.600 -0.158 0.000 1.099 239 K CA -1.079 55.100 56.287 -0.180 0.000 0.939 239 K CB -0.036 32.374 32.500 -0.149 0.000 1.148 239 K HN -0.072 nan 8.250 nan 0.000 0.613 240 P HA -0.123 nan 4.420 nan 0.000 0.222 240 P C 1.117 178.370 177.300 -0.078 0.000 1.147 240 P CA 0.621 63.651 63.100 -0.117 0.000 0.790 240 P CB 0.093 31.728 31.700 -0.108 0.000 0.780 241 L N -0.373 120.806 121.223 -0.074 0.000 2.362 241 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 241 L C 1.599 178.440 176.870 -0.050 0.000 1.134 241 L CA 1.031 55.838 54.840 -0.055 0.000 0.807 241 L CB -0.817 41.210 42.059 -0.053 0.000 0.927 241 L HN -0.100 nan 8.230 nan 0.000 0.447 242 D N 0.135 120.500 120.400 -0.059 0.000 2.355 242 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 242 D C 0.753 177.030 176.300 -0.038 0.000 1.004 242 D CA 0.483 54.453 54.000 -0.049 0.000 0.880 242 D CB 0.186 40.951 40.800 -0.058 0.000 0.911 242 D HN 0.237 nan 8.370 nan 0.000 0.528 243 I N 0.959 121.506 120.570 -0.037 0.000 2.396 243 I HA 0.049 4.219 4.170 -0.000 0.000 0.289 243 I C 1.906 178.013 176.117 -0.015 0.000 1.056 243 I CA -0.186 61.101 61.300 -0.022 0.000 1.365 243 I CB 0.961 38.950 38.000 -0.018 0.000 1.407 243 I HN -0.073 nan 8.210 nan 0.000 0.509 244 N N 5.209 123.903 118.700 -0.010 0.000 2.166 244 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 244 N C 0.791 176.297 175.510 -0.007 0.000 1.019 244 N CA 0.914 53.958 53.050 -0.010 0.000 0.856 244 N CB -0.387 38.095 38.487 -0.008 0.000 0.993 244 N HN 0.648 nan 8.380 nan 0.000 0.426 245 E N 0.212 120.410 120.200 -0.003 0.000 2.220 245 E HA 0.420 4.770 4.350 -0.000 0.000 0.272 245 E C 1.511 178.110 176.600 -0.002 0.000 1.099 245 E CA 0.358 56.756 56.400 -0.003 0.000 0.907 245 E CB 1.011 30.712 29.700 0.001 0.000 1.022 245 E HN 0.597 nan 8.360 nan 0.000 0.428 246 K N 2.421 122.818 120.400 -0.004 0.000 2.032 246 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 246 K C 2.028 178.629 176.600 0.001 0.000 1.048 246 K CA 2.365 58.650 56.287 -0.004 0.000 0.927 246 K CB -1.539 30.958 32.500 -0.005 0.000 0.712 246 K HN 0.678 nan 8.250 nan 0.000 0.441 247 T N -1.047 113.509 114.554 0.002 0.000 2.951 247 T HA -0.026 4.324 4.350 -0.000 0.000 0.268 247 T C 1.966 176.676 174.700 0.016 0.000 1.073 247 T CA 1.260 63.364 62.100 0.008 0.000 1.134 247 T CB -0.118 68.751 68.868 0.002 0.000 0.884 247 T HN 0.235 nan 8.240 nan 0.000 0.479 248 L N 1.019 122.252 121.223 0.017 0.000 2.095 248 L HA 0.165 4.505 4.340 -0.000 0.000 0.204 248 L C 2.772 179.659 176.870 0.028 0.000 1.080 248 L CA 1.680 56.541 54.840 0.034 0.000 0.759 248 L CB -0.975 41.108 42.059 0.040 0.000 0.914 248 L HN 0.356 nan 8.230 nan 0.000 0.439 249 Q N -0.739 119.067 119.800 0.010 0.000 2.061 249 Q HA -0.318 4.022 4.340 -0.000 0.000 0.204 249 Q C 2.305 178.305 176.000 -0.001 0.000 0.984 249 Q CA 2.352 58.152 55.803 -0.006 0.000 0.846 249 Q CB -0.246 28.484 28.738 -0.013 0.000 0.902 249 Q HN 0.719 nan 8.270 nan 0.000 0.421 250 Q N -0.855 118.950 119.800 0.009 0.000 2.079 250 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 250 Q C 1.948 177.972 176.000 0.040 0.000 0.974 250 Q CA 1.460 57.273 55.803 0.018 0.000 0.840 250 Q CB -0.335 28.414 28.738 0.019 0.000 0.898 250 Q HN 0.546 nan 8.270 nan 0.000 0.430 251 G N 1.003 109.833 108.800 0.051 0.000 2.418 251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 251 G C 1.379 176.340 174.900 0.101 0.000 1.158 251 G CA 0.915 46.065 45.100 0.083 0.000 0.771 251 G HN 0.367 nan 8.290 nan 0.000 0.545 252 I N 0.287 120.898 120.570 0.067 0.000 2.179 252 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 252 I C 3.044 179.187 176.117 0.044 0.000 1.088 252 I CA 1.308 62.635 61.300 0.044 0.000 1.357 252 I CB -0.304 37.666 38.000 -0.050 0.000 1.051 252 I HN 0.240 nan 8.210 nan 0.000 0.409 253 Q N 0.492 120.304 119.800 0.020 0.000 2.084 253 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 253 Q C 2.374 178.405 176.000 0.052 0.000 0.978 253 Q CA 1.395 57.205 55.803 0.011 0.000 0.844 253 Q CB -0.179 28.554 28.738 -0.007 0.000 0.898 253 Q HN 0.522 nan 8.270 nan 0.000 0.426 254 L N 0.049 121.326 121.223 0.090 0.000 2.131 254 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 254 L C 2.374 179.393 176.870 0.249 0.000 1.092 254 L CA 0.823 55.754 54.840 0.152 0.000 0.759 254 L CB -0.496 41.660 42.059 0.162 0.000 0.903 254 L HN 0.220 nan 8.230 nan 0.000 0.435 255 A N -0.919 122.045 122.820 0.240 0.000 2.119 255 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 255 A C 2.031 179.840 177.584 0.375 0.000 1.153 255 A CA 1.020 53.256 52.037 0.331 0.000 0.692 255 A CB -0.211 19.015 19.000 0.377 0.000 0.799 255 A HN 0.481 nan 8.150 nan 0.000 0.458 256 Q N -0.050 119.886 119.800 0.225 0.000 2.247 256 Q HA 0.194 4.534 4.340 -0.000 0.000 0.204 256 Q C -0.130 175.895 176.000 0.042 0.000 0.872 256 Q CA -0.324 55.554 55.803 0.125 0.000 0.951 256 Q CB 0.429 29.166 28.738 -0.002 0.000 1.099 256 Q HN 0.494 nan 8.270 nan 0.000 0.501 257 S N 0.848 116.559 115.700 0.019 0.000 2.585 257 S HA 0.232 4.702 4.470 -0.000 0.000 0.273 257 S C 0.057 174.470 174.600 -0.312 0.000 1.339 257 S CA -0.149 57.909 58.200 -0.236 0.000 1.028 257 S CB 0.593 63.522 63.200 -0.451 0.000 0.906 257 S HN 0.228 nan 8.310 nan 0.000 0.528 258 R N 1.362 121.639 120.500 -0.371 0.000 2.215 258 R HA 0.263 4.603 4.340 -0.000 0.000 0.336 258 R C -0.410 175.703 176.300 -0.311 0.000 0.996 258 R CA -0.161 55.831 56.100 -0.181 0.000 0.847 258 R CB 0.486 30.673 30.300 -0.189 0.000 1.127 258 R HN 0.689 nan 8.270 nan 0.000 0.465 259 Y N 0.637 120.940 120.300 0.004 0.000 2.479 259 Y HA 0.159 4.709 4.550 0.000 0.000 0.283 259 Y C 0.122 175.726 175.900 -0.494 0.000 1.109 259 Y CA 0.258 58.197 58.100 -0.269 0.000 1.239 259 Y CB 0.577 38.879 38.460 -0.264 0.000 1.108 259 Y HN 0.459 nan 8.280 nan 0.000 0.548 260 W N -0.204 121.263 121.300 0.278 0.000 3.107 260 W HA 0.545 5.205 4.660 0.000 0.000 0.331 260 W C -0.925 175.703 176.519 0.182 0.000 1.204 260 W CA -0.981 56.484 57.345 0.201 0.000 1.184 260 W CB 1.180 30.743 29.460 0.172 0.000 1.421 260 W HN -0.456 nan 8.180 nan 0.000 0.544 261 Q N 1.457 121.462 119.800 0.341 0.000 2.340 261 Q HA 0.637 4.977 4.340 -0.000 0.000 0.268 261 Q C -1.168 174.852 176.000 0.033 0.000 1.031 261 Q CA -0.450 55.385 55.803 0.053 0.000 0.804 261 Q CB 2.356 31.064 28.738 -0.051 0.000 1.286 261 Q HN 0.435 nan 8.270 nan 0.000 0.448 262 T N 2.619 117.139 114.554 -0.056 0.000 2.890 262 T HA 0.618 4.967 4.350 -0.000 0.000 0.295 262 T C 0.433 175.075 174.700 -0.097 0.000 0.993 262 T CA 0.713 62.787 62.100 -0.044 0.000 0.979 262 T CB 0.764 69.623 68.868 -0.014 0.000 0.967 262 T HN 1.021 nan 8.240 nan 0.000 0.441 263 G N 5.451 114.198 108.800 -0.089 0.000 2.622 263 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.307 263 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.307 263 G C 0.394 175.206 174.900 -0.148 0.000 1.226 263 G CA 0.829 45.873 45.100 -0.094 0.000 0.997 263 G HN 1.023 nan 8.290 nan 0.000 0.551 264 D N 0.527 120.848 120.400 -0.131 0.000 2.342 264 D HA 0.266 4.905 4.640 -0.000 0.000 0.221 264 D C 1.206 177.396 176.300 -0.184 0.000 1.101 264 D CA 0.757 54.670 54.000 -0.145 0.000 0.837 264 D CB -0.147 40.606 40.800 -0.077 0.000 0.938 264 D HN 0.844 nan 8.370 nan 0.000 0.508 265 M N -0.068 119.403 119.600 -0.215 0.000 2.578 265 M HA 0.550 5.029 4.480 -0.000 0.000 0.321 265 M C -1.786 174.348 176.300 -0.275 0.000 1.182 265 M CA -0.761 54.475 55.300 -0.107 0.000 0.965 265 M CB 2.075 34.715 32.600 0.068 0.000 1.694 265 M HN -0.220 nan 8.290 nan 0.000 0.461 266 Y N 1.115 121.525 120.300 0.183 0.000 2.409 266 Y HA 0.464 5.014 4.550 -0.000 0.000 0.343 266 Y C -0.611 175.449 175.900 0.268 0.000 0.973 266 Y CA -0.639 57.582 58.100 0.202 0.000 1.064 266 Y CB 1.878 40.423 38.460 0.143 0.000 1.207 266 Y HN 0.642 nan 8.280 nan 0.000 0.452 267 Q N 1.737 121.817 119.800 0.467 0.000 2.278 267 Q HA 0.602 4.942 4.340 -0.000 0.000 0.257 267 Q C -0.077 176.221 176.000 0.497 0.000 0.928 267 Q CA -0.268 55.813 55.803 0.463 0.000 0.932 267 Q CB 1.328 30.354 28.738 0.479 0.000 1.221 267 Q HN 0.895 nan 8.270 nan 0.000 0.434 268 G N 2.726 111.793 108.800 0.445 0.000 2.736 268 G HA2 0.489 4.449 3.960 -0.000 0.000 0.229 268 G HA3 0.489 4.449 3.960 -0.000 0.000 0.229 268 G C -0.932 174.146 174.900 0.298 0.000 1.380 268 G CA -0.834 44.552 45.100 0.478 0.000 1.040 268 G HN 0.595 nan 8.290 nan 0.000 0.568 269 L N 1.166 122.534 121.223 0.241 0.000 2.270 269 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 269 L C 1.367 178.286 176.870 0.083 0.000 1.059 269 L CA 0.457 55.304 54.840 0.012 0.000 0.839 269 L CB 0.464 42.519 42.059 -0.006 0.000 1.221 269 L HN 1.047 nan 8.230 nan 0.000 0.431 270 G N 2.218 111.039 108.800 0.035 0.000 4.526 270 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 270 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 270 G C 0.002 174.955 174.900 0.088 0.000 1.428 270 G CA -0.212 44.904 45.100 0.026 0.000 0.928 270 G HN 0.513 nan 8.290 nan 0.000 0.639 271 W N 2.404 123.838 121.300 0.223 0.000 2.137 271 W HA 0.565 5.225 4.660 -0.000 0.000 0.344 271 W C 0.847 177.516 176.519 0.250 0.000 1.286 271 W CA -0.143 57.331 57.345 0.214 0.000 1.240 271 W CB 0.395 29.951 29.460 0.160 0.000 1.141 271 W HN 0.346 nan 8.180 nan 0.000 0.579 272 E N 1.518 122.069 120.200 0.586 0.000 2.227 272 E HA 0.587 4.937 4.350 -0.000 0.000 0.268 272 E C -0.844 176.050 176.600 0.490 0.000 0.907 272 E CA -1.129 55.579 56.400 0.513 0.000 0.786 272 E CB 1.772 31.770 29.700 0.497 0.000 1.191 272 E HN 0.178 nan 8.360 nan 0.000 0.411 273 M N 1.843 121.686 119.600 0.405 0.000 2.550 273 M HA 0.474 4.954 4.480 -0.000 0.000 0.292 273 M C -1.611 174.914 176.300 0.375 0.000 1.221 273 M CA -0.379 55.102 55.300 0.301 0.000 0.873 273 M CB 1.798 34.514 32.600 0.193 0.000 1.727 273 M HN 0.300 nan 8.290 nan 0.000 0.459 274 L N 0.362 121.773 121.223 0.313 0.000 2.393 274 L HA 0.569 4.909 4.340 -0.000 0.000 0.260 274 L C -0.770 176.270 176.870 0.284 0.000 1.002 274 L CA -0.694 54.337 54.840 0.318 0.000 0.818 274 L CB 1.864 44.024 42.059 0.169 0.000 1.369 274 L HN 0.543 nan 8.230 nan 0.000 0.412 275 D N 0.685 121.242 120.400 0.262 0.000 2.414 275 D HA -0.001 4.639 4.640 -0.000 0.000 0.242 275 D C -0.947 175.484 176.300 0.217 0.000 1.129 275 D CA 0.148 54.263 54.000 0.192 0.000 0.885 275 D CB 1.182 42.063 40.800 0.136 0.000 1.198 275 D HN 0.364 nan 8.370 nan 0.000 0.437 276 W N 4.383 125.740 121.300 0.096 0.000 2.469 276 W HA 0.289 4.949 4.660 -0.000 0.000 0.320 276 W C -2.305 174.266 176.519 0.087 0.000 1.086 276 W CA -1.809 55.611 57.345 0.126 0.000 1.211 276 W CB 1.173 30.721 29.460 0.147 0.000 1.298 276 W HN 0.230 nan 8.180 nan 0.000 0.525 277 P HA 0.136 nan 4.420 nan 0.000 0.275 277 P C -0.948 175.991 177.300 -0.603 0.000 1.228 277 P CA -0.121 62.172 63.100 -1.344 0.000 0.786 277 P CB 2.355 33.472 31.700 -0.971 0.000 0.927 278 V N 2.357 121.934 119.914 -0.562 0.000 2.834 278 V HA 0.301 4.421 4.120 -0.000 0.000 0.313 278 V C 0.117 175.911 176.094 -0.500 0.000 1.060 278 V CA -0.889 61.189 62.300 -0.370 0.000 0.989 278 V CB 1.594 33.220 31.823 -0.327 0.000 1.041 278 V HN 0.681 nan 8.190 nan 0.000 0.459 279 N N 5.727 124.166 118.700 -0.436 0.000 2.408 279 N HA 0.347 5.087 4.740 -0.000 0.000 0.257 279 N C -1.489 173.618 175.510 -0.672 0.000 1.064 279 N CA -2.013 50.758 53.050 -0.465 0.000 0.952 279 N CB 1.603 39.908 38.487 -0.304 0.000 1.093 279 N HN 0.393 nan 8.380 nan 0.000 0.490 280 P HA -0.118 nan 4.420 nan 0.000 0.218 280 P C 0.234 177.148 177.300 -0.643 0.000 1.148 280 P CA 1.116 63.488 63.100 -1.212 0.000 0.822 280 P CB 0.482 31.038 31.700 -1.906 0.000 0.784 281 D N -0.429 119.700 120.400 -0.451 0.000 2.219 281 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 281 D C 2.171 178.331 176.300 -0.233 0.000 0.970 281 D CA 0.956 54.788 54.000 -0.280 0.000 0.851 281 D CB -0.472 40.205 40.800 -0.205 0.000 0.943 281 D HN 0.167 nan 8.370 nan 0.000 0.488 282 S N 0.599 116.143 115.700 -0.259 0.000 2.355 282 S HA -0.112 4.358 4.470 -0.000 0.000 0.222 282 S C 2.176 176.679 174.600 -0.163 0.000 1.031 282 S CA 0.949 59.034 58.200 -0.192 0.000 0.993 282 S CB -0.173 62.911 63.200 -0.193 0.000 0.859 282 S HN 0.391 nan 8.310 nan 0.000 0.453 283 I N -1.035 119.398 120.570 -0.229 0.000 2.500 283 I HA 0.033 4.203 4.170 -0.000 0.000 0.252 283 I C 2.072 178.149 176.117 -0.067 0.000 1.142 283 I CA 1.021 62.251 61.300 -0.118 0.000 1.451 283 I CB -0.511 37.357 38.000 -0.220 0.000 1.093 283 I HN 0.228 nan 8.210 nan 0.000 0.430 284 I N 2.013 122.493 120.570 -0.149 0.000 2.133 284 I HA -0.220 3.950 4.170 -0.000 0.000 0.238 284 I C 2.309 178.376 176.117 -0.084 0.000 1.074 284 I CA 1.451 62.686 61.300 -0.108 0.000 1.342 284 I CB -0.636 37.284 38.000 -0.134 0.000 1.053 284 I HN 0.271 nan 8.210 nan 0.000 0.404 285 N N 1.120 119.763 118.700 -0.096 0.000 2.244 285 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 285 N C 1.840 177.314 175.510 -0.059 0.000 1.016 285 N CA 1.516 54.521 53.050 -0.075 0.000 0.866 285 N CB -0.655 37.785 38.487 -0.079 0.000 0.980 285 N HN 0.418 nan 8.380 nan 0.000 0.430 286 G N 0.121 108.890 108.800 -0.052 0.000 2.559 286 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 286 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 286 G C 1.517 176.403 174.900 -0.022 0.000 1.126 286 G CA 1.037 46.120 45.100 -0.029 0.000 0.778 286 G HN 0.488 nan 8.290 nan 0.000 0.543 287 S N -0.468 115.216 115.700 -0.027 0.000 2.528 287 S HA 0.039 4.508 4.470 -0.000 0.000 0.219 287 S C 0.730 175.282 174.600 -0.080 0.000 0.985 287 S CA -0.108 58.063 58.200 -0.049 0.000 0.914 287 S CB 0.056 63.224 63.200 -0.053 0.000 0.776 287 S HN 0.264 nan 8.310 nan 0.000 0.526 288 D N 2.078 122.437 120.400 -0.068 0.000 2.455 288 D HA 0.068 4.708 4.640 -0.000 0.000 0.241 288 D C 0.410 176.667 176.300 -0.071 0.000 1.138 288 D CA 0.033 53.994 54.000 -0.065 0.000 0.877 288 D CB 0.551 41.320 40.800 -0.051 0.000 1.187 288 D HN 0.069 nan 8.370 nan 0.000 0.451 289 N N 3.016 121.673 118.700 -0.071 0.000 2.348 289 N HA -0.188 4.552 4.740 -0.000 0.000 0.185 289 N C 1.599 177.078 175.510 -0.050 0.000 1.019 289 N CA 0.696 53.702 53.050 -0.073 0.000 0.880 289 N CB -0.116 38.334 38.487 -0.061 0.000 0.965 289 N HN 0.646 nan 8.380 nan 0.000 0.437 290 K N 0.379 120.756 120.400 -0.038 0.000 2.209 290 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 290 K C 1.675 178.258 176.600 -0.028 0.000 1.048 290 K CA 1.011 57.283 56.287 -0.025 0.000 0.940 290 K CB -0.017 32.471 32.500 -0.021 0.000 0.729 290 K HN 0.171 nan 8.250 nan 0.000 0.451 291 I N 0.851 121.396 120.570 -0.041 0.000 2.947 291 I HA 0.014 4.184 4.170 -0.000 0.000 0.263 291 I C 2.498 178.583 176.117 -0.053 0.000 1.130 291 I CA 0.513 61.788 61.300 -0.041 0.000 1.448 291 I CB -0.089 37.886 38.000 -0.042 0.000 1.222 291 I HN 0.200 nan 8.210 nan 0.000 0.453 292 A N 0.947 123.718 122.820 -0.081 0.000 2.019 292 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 292 A C 2.045 179.538 177.584 -0.151 0.000 1.164 292 A CA 1.317 53.272 52.037 -0.136 0.000 0.644 292 A CB -0.575 18.303 19.000 -0.203 0.000 0.805 292 A HN 0.436 nan 8.150 nan 0.000 0.449 293 L N -1.070 120.099 121.223 -0.089 0.000 2.640 293 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 293 L C 1.046 177.931 176.870 0.026 0.000 1.123 293 L CA -0.132 54.695 54.840 -0.021 0.000 0.900 293 L CB -0.187 41.872 42.059 0.000 0.000 1.146 293 L HN 0.345 nan 8.230 nan 0.000 0.484 294 A N 0.752 123.575 122.820 0.004 0.000 2.316 294 A HA 0.691 5.011 4.320 -0.000 0.000 0.284 294 A C 0.446 178.029 177.584 -0.001 0.000 1.115 294 A CA -0.226 51.821 52.037 0.016 0.000 0.812 294 A CB 0.545 19.544 19.000 -0.003 0.000 1.064 294 A HN 0.195 nan 8.150 nan 0.000 0.489 295 A N 2.160 124.976 122.820 -0.006 0.000 2.462 295 A HA 0.578 4.898 4.320 -0.000 0.000 0.243 295 A C 0.354 177.827 177.584 -0.184 0.000 1.076 295 A CA -0.051 51.903 52.037 -0.138 0.000 0.773 295 A CB 0.142 18.959 19.000 -0.304 0.000 1.010 295 A HN 0.745 nan 8.150 nan 0.000 0.493 296 R N 1.905 122.272 120.500 -0.221 0.000 2.604 296 R HA 0.454 4.794 4.340 -0.000 0.000 0.281 296 R C -3.172 172.996 176.300 -0.221 0.000 1.020 296 R CA -1.964 54.029 56.100 -0.177 0.000 0.899 296 R CB 2.007 32.249 30.300 -0.096 0.000 1.205 296 R HN 0.527 nan 8.270 nan 0.000 0.450 297 P HA 0.111 nan 4.420 nan 0.000 0.271 297 P C -0.208 177.033 177.300 -0.098 0.000 1.218 297 P CA -0.265 62.728 63.100 -0.179 0.000 0.780 297 P CB 0.839 32.460 31.700 -0.132 0.000 0.901 298 V N -0.291 119.575 119.914 -0.079 0.000 2.715 298 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 298 V C -0.186 176.024 176.094 0.194 0.000 1.054 298 V CA -1.125 61.206 62.300 0.050 0.000 0.928 298 V CB 2.014 33.823 31.823 -0.023 0.000 1.007 298 V HN 0.484 nan 8.190 nan 0.000 0.437 299 K N 2.708 123.274 120.400 0.276 0.000 2.274 299 K HA 0.785 5.105 4.320 -0.000 0.000 0.262 299 K C -0.015 176.818 176.600 0.389 0.000 0.961 299 K CA -0.365 56.084 56.287 0.270 0.000 0.833 299 K CB 1.670 34.259 32.500 0.149 0.000 1.102 299 K HN 1.199 nan 8.250 nan 0.000 0.436 300 A N 5.061 128.082 122.820 0.334 0.000 2.462 300 A HA 0.263 4.583 4.320 -0.000 0.000 0.243 300 A C -0.062 177.482 177.584 -0.067 0.000 1.076 300 A CA -0.238 51.767 52.037 -0.054 0.000 0.773 300 A CB -0.101 18.817 19.000 -0.137 0.000 1.010 300 A HN 0.804 nan 8.150 nan 0.000 0.493 301 I N 2.645 123.106 120.570 -0.182 0.000 2.307 301 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 301 I C -0.203 175.819 176.117 -0.159 0.000 1.054 301 I CA 0.085 61.323 61.300 -0.103 0.000 1.218 301 I CB 1.122 39.079 38.000 -0.072 0.000 1.398 301 I HN 0.521 nan 8.210 nan 0.000 0.475 302 T N 6.577 121.072 114.554 -0.098 0.000 2.874 302 T HA 0.394 4.744 4.350 -0.000 0.000 0.321 302 T C -1.661 173.002 174.700 -0.062 0.000 1.075 302 T CA -0.949 61.099 62.100 -0.087 0.000 0.966 302 T CB 0.663 69.499 68.868 -0.053 0.000 1.001 302 T HN 0.458 nan 8.240 nan 0.000 0.476 303 P HA 0.514 nan 4.420 nan 0.000 0.280 303 P C -3.045 174.168 177.300 -0.145 0.000 1.272 303 P CA -2.063 60.979 63.100 -0.096 0.000 0.819 303 P CB 0.113 31.770 31.700 -0.071 0.000 1.122 304 P HA 0.068 nan 4.420 nan 0.000 0.266 304 P C -0.296 176.839 177.300 -0.275 0.000 1.195 304 P CA 0.404 63.299 63.100 -0.341 0.000 0.768 304 P CB -0.040 31.282 31.700 -0.629 0.000 0.838 305 T N 5.450 119.845 114.554 -0.265 0.000 2.851 305 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 305 T C -2.103 172.464 174.700 -0.221 0.000 0.977 305 T CA -1.008 60.966 62.100 -0.210 0.000 1.126 305 T CB -0.102 68.638 68.868 -0.213 0.000 0.916 305 T HN 0.273 nan 8.240 nan 0.000 0.529 306 P HA 0.218 nan 4.420 nan 0.000 0.270 306 P C -0.542 176.680 177.300 -0.130 0.000 1.223 306 P CA -0.493 62.526 63.100 -0.135 0.000 0.785 306 P CB 0.309 31.952 31.700 -0.095 0.000 0.923 307 A N 2.175 124.933 122.820 -0.104 0.000 2.583 307 A HA 0.041 4.361 4.320 -0.000 0.000 0.249 307 A C 0.143 177.670 177.584 -0.095 0.000 1.035 307 A CA 0.311 52.293 52.037 -0.093 0.000 0.777 307 A CB -0.824 18.136 19.000 -0.068 0.000 0.942 307 A HN 0.367 nan 8.150 nan 0.000 0.516 308 V N 6.307 126.157 119.914 -0.106 0.000 2.385 308 V HA 0.129 4.249 4.120 -0.000 0.000 0.269 308 V C 1.544 177.599 176.094 -0.066 0.000 1.043 308 V CA -0.450 61.795 62.300 -0.091 0.000 0.906 308 V CB 0.913 32.665 31.823 -0.117 0.000 0.995 308 V HN 1.043 nan 8.190 nan 0.000 0.467 309 R N 3.771 124.241 120.500 -0.051 0.000 2.081 309 R HA -0.061 4.278 4.340 -0.000 0.000 0.235 309 R C 1.329 177.613 176.300 -0.026 0.000 1.131 309 R CA 1.408 57.480 56.100 -0.046 0.000 0.960 309 R CB -0.174 30.101 30.300 -0.043 0.000 0.856 309 R HN 0.720 nan 8.270 nan 0.000 0.436 310 A N 1.930 124.762 122.820 0.020 0.000 3.063 310 A HA 0.247 4.567 4.320 -0.000 0.000 0.263 310 A C -0.448 177.237 177.584 0.168 0.000 1.736 310 A CA 0.068 52.171 52.037 0.110 0.000 1.408 310 A CB -0.032 19.055 19.000 0.146 0.000 1.108 310 A HN 0.058 nan 8.150 nan 0.000 0.621 311 S N 0.380 116.143 115.700 0.106 0.000 2.570 311 S HA 0.521 4.991 4.470 -0.000 0.000 0.286 311 S C -0.975 173.704 174.600 0.131 0.000 1.099 311 S CA -0.595 57.686 58.200 0.134 0.000 0.913 311 S CB 1.219 64.412 63.200 -0.011 0.000 1.085 311 S HN 0.683 nan 8.310 nan 0.000 0.480 312 W N 3.841 125.171 121.300 0.051 0.000 2.308 312 W HA 0.558 5.218 4.660 -0.000 0.000 0.311 312 W C -1.834 174.541 176.519 -0.240 0.000 1.088 312 W CA -0.488 56.831 57.345 -0.043 0.000 1.309 312 W CB 0.562 30.101 29.460 0.131 0.000 1.229 312 W HN 0.338 nan 8.180 nan 0.000 0.427 313 V N 7.683 127.144 119.914 -0.756 0.000 2.417 313 V HA 0.416 4.536 4.120 -0.000 0.000 0.291 313 V C -0.036 175.619 176.094 -0.732 0.000 1.024 313 V CA -0.357 61.458 62.300 -0.808 0.000 0.861 313 V CB 1.246 32.105 31.823 -1.606 0.000 0.985 313 V HN 0.677 nan 8.190 nan 0.000 0.436 314 H N 2.573 121.554 119.070 -0.147 0.000 2.948 314 H HA 0.905 5.460 4.556 -0.000 0.000 0.315 314 H C -1.308 174.276 175.328 0.425 0.000 1.360 314 H CA -1.305 54.782 56.048 0.064 0.000 1.125 314 H CB 2.266 32.082 29.762 0.090 0.000 1.844 314 H HN 0.428 nan 8.280 nan 0.000 0.529 315 K N 1.222 121.755 120.400 0.222 0.000 2.570 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.256 315 K C -1.363 175.360 176.600 0.205 0.000 0.939 315 K CA -0.093 56.273 56.287 0.131 0.000 0.833 315 K CB 2.081 34.640 32.500 0.098 0.000 1.318 315 K HN 0.913 nan 8.250 nan 0.000 0.433 316 T N -0.021 114.656 114.554 0.205 0.000 2.918 316 T HA 0.870 5.220 4.350 -0.000 0.000 0.283 316 T C 0.328 175.127 174.700 0.165 0.000 1.001 316 T CA -0.456 61.799 62.100 0.258 0.000 1.041 316 T CB 1.612 70.532 68.868 0.088 0.000 1.028 316 T HN 0.635 nan 8.240 nan 0.000 0.511 317 G N -0.591 108.306 108.800 0.163 0.000 2.718 317 G HA2 0.757 4.717 3.960 -0.000 0.000 0.295 317 G HA3 0.757 4.717 3.960 -0.000 0.000 0.295 317 G C -1.546 173.433 174.900 0.132 0.000 1.421 317 G CA -0.575 44.617 45.100 0.154 0.000 0.902 317 G HN 1.148 nan 8.290 nan 0.000 0.501 318 A N 0.184 123.081 122.820 0.127 0.000 2.606 318 A HA 0.988 5.308 4.320 -0.000 0.000 0.293 318 A C -0.027 177.636 177.584 0.131 0.000 1.082 318 A CA 0.131 52.248 52.037 0.134 0.000 0.685 318 A CB 1.660 20.704 19.000 0.074 0.000 1.284 318 A HN 1.926 nan 8.150 nan 0.000 0.408 319 T N -2.365 112.305 114.554 0.192 0.000 2.693 319 T HA 0.633 4.983 4.350 -0.000 0.000 0.278 319 T C 1.294 176.098 174.700 0.174 0.000 0.994 319 T CA 0.186 62.378 62.100 0.154 0.000 1.033 319 T CB 0.944 69.947 68.868 0.226 0.000 1.342 319 T HN 1.592 nan 8.240 nan 0.000 0.538 320 G N -0.353 108.537 108.800 0.150 0.000 2.442 320 G HA2 0.189 4.149 3.960 -0.000 0.000 0.219 320 G HA3 0.189 4.149 3.960 -0.000 0.000 0.219 320 G C 1.101 176.093 174.900 0.153 0.000 1.141 320 G CA 0.588 45.764 45.100 0.126 0.000 0.763 320 G HN 1.203 nan 8.290 nan 0.000 0.554 321 G N -1.292 107.647 108.800 0.232 0.000 3.651 321 G HA2 0.500 4.460 3.960 -0.000 0.000 0.279 321 G HA3 0.500 4.460 3.960 -0.000 0.000 0.279 321 G C -0.531 174.364 174.900 -0.009 0.000 1.024 321 G CA -0.469 44.688 45.100 0.095 0.000 0.813 321 G HN 0.174 nan 8.290 nan 0.000 0.518 322 F N -0.614 119.460 119.950 0.207 0.000 2.613 322 F HA 0.731 5.258 4.527 -0.000 0.000 0.314 322 F C 0.305 176.231 175.800 0.211 0.000 1.075 322 F CA -1.035 57.123 58.000 0.264 0.000 0.945 322 F CB 2.432 41.609 39.000 0.295 0.000 1.310 322 F HN 0.042 nan 8.300 nan 0.000 0.467 323 G N 0.544 109.610 108.800 0.443 0.000 2.719 323 G HA2 0.577 4.537 3.960 -0.000 0.000 0.298 323 G HA3 0.577 4.537 3.960 -0.000 0.000 0.298 323 G C -1.674 173.384 174.900 0.262 0.000 1.433 323 G CA -0.752 44.487 45.100 0.232 0.000 1.034 323 G HN 0.759 nan 8.290 nan 0.000 0.517 324 S N 0.560 116.384 115.700 0.206 0.000 2.599 324 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 324 S C -1.510 173.270 174.600 0.301 0.000 1.105 324 S CA -1.007 57.338 58.200 0.241 0.000 0.899 324 S CB 2.501 65.840 63.200 0.232 0.000 1.100 324 S HN 1.241 nan 8.310 nan 0.000 0.482 325 Y N -0.010 120.387 120.300 0.161 0.000 2.521 325 Y HA 0.619 5.169 4.550 -0.000 0.000 0.332 325 Y C -2.069 173.975 175.900 0.240 0.000 1.121 325 Y CA -0.888 57.322 58.100 0.184 0.000 1.037 325 Y CB 1.505 40.073 38.460 0.180 0.000 1.330 325 Y HN 0.791 nan 8.280 nan 0.000 0.452 326 V N 4.220 123.955 119.914 -0.298 0.000 2.760 326 V HA 0.982 5.102 4.120 -0.000 0.000 0.309 326 V C -0.890 174.934 176.094 -0.450 0.000 1.077 326 V CA -0.275 61.938 62.300 -0.144 0.000 0.910 326 V CB 1.531 33.530 31.823 0.292 0.000 1.008 326 V HN 1.037 nan 8.190 nan 0.000 0.424 327 A N 4.503 127.106 122.820 -0.363 0.000 2.520 327 A HA 1.034 5.354 4.320 -0.000 0.000 0.298 327 A C -1.318 175.984 177.584 -0.469 0.000 1.051 327 A CA -0.514 51.164 52.037 -0.598 0.000 0.690 327 A CB 1.818 20.350 19.000 -0.781 0.000 1.281 327 A HN 1.506 nan 8.150 nan 0.000 0.402 328 F N -0.688 118.812 119.950 -0.750 0.000 2.668 328 F HA 0.825 5.352 4.527 -0.000 0.000 0.309 328 F C -1.451 173.996 175.800 -0.588 0.000 1.117 328 F CA -1.224 56.418 58.000 -0.597 0.000 0.951 328 F CB 1.277 39.989 39.000 -0.482 0.000 1.323 328 F HN 0.318 nan 8.300 nan 0.000 0.451 329 I N 2.613 123.005 120.570 -0.295 0.000 2.466 329 I HA 0.317 4.486 4.170 -0.000 0.000 0.279 329 I C -2.130 173.884 176.117 -0.172 0.000 1.033 329 I CA -1.888 59.213 61.300 -0.333 0.000 1.123 329 I CB 1.833 39.508 38.000 -0.541 0.000 1.237 329 I HN 0.389 nan 8.210 nan 0.000 0.460 330 P HA -0.241 nan 4.420 nan 0.000 0.215 330 P C 1.435 178.670 177.300 -0.108 0.000 1.157 330 P CA 1.296 64.357 63.100 -0.064 0.000 0.874 330 P CB 0.281 31.955 31.700 -0.044 0.000 0.790 331 E N 0.124 120.257 120.200 -0.111 0.000 2.209 331 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 331 E C 1.152 177.678 176.600 -0.123 0.000 0.993 331 E CA 1.086 57.429 56.400 -0.095 0.000 0.819 331 E CB -0.155 29.511 29.700 -0.056 0.000 0.745 331 E HN 0.222 nan 8.360 nan 0.000 0.477 332 K N 0.093 120.384 120.400 -0.182 0.000 2.358 332 K HA 0.066 4.386 4.320 -0.000 0.000 0.197 332 K C -0.314 176.173 176.600 -0.188 0.000 1.025 332 K CA 0.141 56.313 56.287 -0.192 0.000 1.104 332 K CB 0.609 32.952 32.500 -0.263 0.000 0.855 332 K HN 0.097 nan 8.250 nan 0.000 0.531 333 E N 0.922 121.020 120.200 -0.169 0.000 2.360 333 E HA -0.220 4.130 4.350 -0.000 0.000 0.238 333 E C -0.830 175.675 176.600 -0.158 0.000 1.186 333 E CA 0.355 56.656 56.400 -0.164 0.000 0.719 333 E CB -1.345 28.254 29.700 -0.169 0.000 1.236 333 E HN 0.122 nan 8.360 nan 0.000 0.386 334 L N -0.437 120.697 121.223 -0.149 0.000 2.381 334 L HA 0.809 5.149 4.340 -0.000 0.000 0.268 334 L C 0.104 176.916 176.870 -0.095 0.000 0.997 334 L CA 0.282 55.059 54.840 -0.106 0.000 0.818 334 L CB 2.134 44.110 42.059 -0.138 0.000 1.310 334 L HN 0.079 nan 8.230 nan 0.000 0.416 335 G N 3.888 112.662 108.800 -0.043 0.000 2.559 335 G HA2 0.601 4.561 3.960 -0.000 0.000 0.291 335 G HA3 0.601 4.561 3.960 -0.000 0.000 0.291 335 G C -2.246 172.660 174.900 0.010 0.000 1.424 335 G CA -0.423 44.652 45.100 -0.041 0.000 0.786 335 G HN 0.813 nan 8.290 nan 0.000 0.485 336 I N -0.359 120.222 120.570 0.018 0.000 2.827 336 I HA 0.660 4.830 4.170 -0.000 0.000 0.298 336 I C -1.386 174.798 176.117 0.111 0.000 1.235 336 I CA -0.984 60.368 61.300 0.087 0.000 1.021 336 I CB 2.319 40.391 38.000 0.121 0.000 1.259 336 I HN 0.401 nan 8.210 nan 0.000 0.427 337 V N 7.238 127.254 119.914 0.170 0.000 2.531 337 V HA 0.531 4.651 4.120 -0.000 0.000 0.301 337 V C -0.503 175.725 176.094 0.222 0.000 1.034 337 V CA -0.429 61.990 62.300 0.198 0.000 0.865 337 V CB 1.817 33.772 31.823 0.220 0.000 0.995 337 V HN 0.642 nan 8.190 nan 0.000 0.424 338 M N 6.151 125.893 119.600 0.236 0.000 2.142 338 M HA 0.608 5.088 4.480 -0.000 0.000 0.299 338 M C -1.324 175.072 176.300 0.160 0.000 0.960 338 M CA -0.155 55.279 55.300 0.223 0.000 0.920 338 M CB 1.891 34.667 32.600 0.293 0.000 1.541 338 M HN 0.389 nan 8.290 nan 0.000 0.429 339 L N 2.943 124.162 121.223 -0.006 0.000 2.333 339 L HA 0.972 5.312 4.340 -0.000 0.000 0.280 339 L C -0.429 176.281 176.870 -0.266 0.000 1.004 339 L CA -0.710 53.981 54.840 -0.249 0.000 0.820 339 L CB 1.760 43.332 42.059 -0.813 0.000 1.247 339 L HN 0.793 nan 8.230 nan 0.000 0.416 340 A N 2.011 124.927 122.820 0.159 0.000 2.435 340 A HA 0.594 4.913 4.320 -0.000 0.000 0.304 340 A C -0.388 177.546 177.584 0.583 0.000 1.064 340 A CA -0.746 51.518 52.037 0.380 0.000 0.727 340 A CB 1.294 20.523 19.000 0.381 0.000 1.284 340 A HN 0.753 nan 8.150 nan 0.000 0.415 341 N N 1.171 120.152 118.700 0.469 0.000 2.575 341 N HA 0.178 4.918 4.740 -0.000 0.000 0.275 341 N C -0.488 175.012 175.510 -0.016 0.000 1.202 341 N CA -0.107 52.921 53.050 -0.036 0.000 0.945 341 N CB 0.225 38.654 38.487 -0.097 0.000 1.247 341 N HN 0.598 nan 8.380 nan 0.000 0.510 342 K N 0.147 120.634 120.400 0.144 0.000 2.525 342 K HA 0.234 4.554 4.320 -0.000 0.000 0.254 342 K C -1.654 175.122 176.600 0.295 0.000 0.934 342 K CA -0.700 55.694 56.287 0.179 0.000 0.802 342 K CB 1.278 33.877 32.500 0.165 0.000 1.295 342 K HN -0.013 nan 8.250 nan 0.000 0.433 343 N N 3.835 122.671 118.700 0.226 0.000 2.439 343 N HA 0.128 4.868 4.740 -0.000 0.000 0.243 343 N C -1.431 174.198 175.510 0.197 0.000 1.088 343 N CA -0.047 53.118 53.050 0.191 0.000 0.940 343 N CB 0.013 38.579 38.487 0.132 0.000 1.180 343 N HN 0.462 nan 8.380 nan 0.000 0.505 344 Y N 1.652 121.991 120.300 0.066 0.000 2.602 344 Y HA 0.774 5.324 4.550 -0.000 0.000 0.330 344 Y C -2.573 173.344 175.900 0.027 0.000 1.114 344 Y CA -3.348 54.775 58.100 0.038 0.000 1.182 344 Y CB -0.586 37.890 38.460 0.027 0.000 1.305 344 Y HN 0.298 nan 8.280 nan 0.000 0.502 345 P HA 0.040 nan 4.420 nan 0.000 0.262 345 P C 0.130 177.316 177.300 -0.189 0.000 1.182 345 P CA 0.293 63.351 63.100 -0.070 0.000 0.761 345 P CB 0.695 32.403 31.700 0.014 0.000 0.795 346 N N 4.611 123.200 118.700 -0.185 0.000 2.094 346 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 346 N C -0.878 174.528 175.510 -0.173 0.000 1.023 346 N CA 1.886 54.811 53.050 -0.209 0.000 0.857 346 N CB -1.846 36.548 38.487 -0.156 0.000 1.013 346 N HN 0.454 nan 8.380 nan 0.000 0.426 347 P HA -0.037 nan 4.420 nan 0.000 0.218 347 P C 1.018 178.294 177.300 -0.038 0.000 1.148 347 P CA 1.363 64.418 63.100 -0.074 0.000 0.822 347 P CB -0.049 31.622 31.700 -0.050 0.000 0.784 348 A N 0.015 122.839 122.820 0.007 0.000 1.930 348 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 348 A C 2.187 179.844 177.584 0.121 0.000 1.175 348 A CA 1.257 53.351 52.037 0.095 0.000 0.627 348 A CB -0.868 18.258 19.000 0.210 0.000 0.815 348 A HN 0.113 nan 8.150 nan 0.000 0.443 349 R N -0.575 119.948 120.500 0.037 0.000 2.066 349 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 349 R C 1.978 178.212 176.300 -0.109 0.000 1.131 349 R CA 1.483 57.587 56.100 0.006 0.000 0.955 349 R CB -0.736 29.438 30.300 -0.211 0.000 0.851 349 R HN 0.354 nan 8.270 nan 0.000 0.432 350 V N 1.838 121.585 119.914 -0.279 0.000 2.358 350 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 350 V C 2.028 178.188 176.094 0.109 0.000 1.047 350 V CA 2.047 64.221 62.300 -0.210 0.000 1.035 350 V CB -0.559 31.154 31.823 -0.183 0.000 0.658 350 V HN 0.288 nan 8.190 nan 0.000 0.452 351 D N 0.602 121.047 120.400 0.074 0.000 2.104 351 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 351 D C 2.157 178.589 176.300 0.221 0.000 0.994 351 D CA 1.825 55.909 54.000 0.140 0.000 0.830 351 D CB -0.147 40.697 40.800 0.074 0.000 0.959 351 D HN 0.356 nan 8.370 nan 0.000 0.452 352 A N 0.633 123.555 122.820 0.169 0.000 1.877 352 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 352 A C 2.427 180.149 177.584 0.229 0.000 1.186 352 A CA 2.538 54.672 52.037 0.162 0.000 0.620 352 A CB -1.090 17.981 19.000 0.118 0.000 0.822 352 A HN 0.323 nan 8.150 nan 0.000 0.443 353 A N -1.102 121.916 122.820 0.330 0.000 1.902 353 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 353 A C 2.115 180.014 177.584 0.524 0.000 1.181 353 A CA 1.470 53.786 52.037 0.465 0.000 0.623 353 A CB -0.937 18.529 19.000 0.776 0.000 0.818 353 A HN 0.902 nan 8.150 nan 0.000 0.443 354 W N 0.625 122.148 121.300 0.373 0.000 2.355 354 W HA -0.190 4.470 4.660 -0.000 0.000 0.309 354 W C 1.802 178.449 176.519 0.212 0.000 1.206 354 W CA 1.977 59.495 57.345 0.288 0.000 1.284 354 W CB -0.334 29.163 29.460 0.061 0.000 1.145 354 W HN 0.380 nan 8.180 nan 0.000 0.502 355 Q N 0.843 120.711 119.800 0.115 0.000 2.096 355 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 355 Q C 2.269 178.215 176.000 -0.091 0.000 0.982 355 Q CA 2.182 57.966 55.803 -0.031 0.000 0.850 355 Q CB -0.997 27.789 28.738 0.079 0.000 0.901 355 Q HN 0.499 nan 8.270 nan 0.000 0.422 356 I N 0.160 120.730 120.570 -0.000 0.000 2.163 356 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 356 I C 2.272 178.369 176.117 -0.034 0.000 1.081 356 I CA 0.850 62.142 61.300 -0.014 0.000 1.353 356 I CB -0.275 37.739 38.000 0.024 0.000 1.054 356 I HN 0.107 nan 8.210 nan 0.000 0.407 357 L N 0.215 121.447 121.223 0.016 0.000 2.141 357 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 357 L C 2.311 179.114 176.870 -0.111 0.000 1.094 357 L CA 1.316 56.158 54.840 0.004 0.000 0.763 357 L CB -0.817 41.316 42.059 0.124 0.000 0.908 357 L HN 0.426 nan 8.230 nan 0.000 0.437 358 N N 0.369 118.859 118.700 -0.350 0.000 2.309 358 N HA -0.142 4.598 4.740 -0.000 0.000 0.182 358 N C 1.830 177.227 175.510 -0.189 0.000 1.018 358 N CA 0.995 53.782 53.050 -0.439 0.000 0.876 358 N CB 0.234 38.035 38.487 -1.144 0.000 0.972 358 N HN 0.303 nan 8.380 nan 0.000 0.434 359 A N 0.909 123.635 122.820 -0.157 0.000 1.968 359 A HA 0.007 4.326 4.320 -0.000 0.000 0.217 359 A C 2.029 179.590 177.584 -0.038 0.000 1.169 359 A CA 0.674 52.664 52.037 -0.079 0.000 0.638 359 A CB -0.279 18.676 19.000 -0.075 0.000 0.812 359 A HN 0.287 nan 8.150 nan 0.000 0.446 360 L N -0.396 120.812 121.223 -0.025 0.000 2.509 360 L HA 0.035 4.375 4.340 -0.000 0.000 0.222 360 L C 1.615 178.556 176.870 0.117 0.000 1.123 360 L CA -0.095 54.775 54.840 0.050 0.000 0.856 360 L CB -0.467 41.630 42.059 0.064 0.000 0.985 360 L HN 0.607 nan 8.230 nan 0.000 0.456 361 Q N 0.000 119.828 119.800 0.047 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.833 55.803 0.050 0.000 1.022 361 Q CB 0.000 28.842 28.738 0.173 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481