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 3bm6_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.454 177.584 -0.216 0.000 1.274 4 A CA 0.000 51.921 52.037 -0.193 0.000 0.836 4 A CB 0.000 18.869 19.000 -0.218 0.000 0.831 5 P HA 0.103 nan 4.420 nan 0.000 0.264 5 P C 0.937 178.132 177.300 -0.174 0.000 1.179 5 P CA 0.348 63.319 63.100 -0.215 0.000 0.763 5 P CB 0.655 32.184 31.700 -0.283 0.000 0.806 6 Q N 2.368 122.105 119.800 -0.105 0.000 2.291 6 Q HA -0.240 4.056 4.340 -0.073 0.000 0.206 6 Q C 2.174 178.124 176.000 -0.084 0.000 0.976 6 Q CA 2.332 58.093 55.803 -0.070 0.000 0.875 6 Q CB -1.393 27.319 28.738 -0.043 0.000 0.927 6 Q HN 0.484 nan 8.270 nan 0.000 0.450 7 Q N 1.424 121.146 119.800 -0.130 0.000 2.061 7 Q HA -0.056 4.240 4.340 -0.073 0.000 0.204 7 Q C 2.158 178.058 176.000 -0.166 0.000 0.984 7 Q CA 1.976 57.693 55.803 -0.144 0.000 0.846 7 Q CB -0.921 27.702 28.738 -0.191 0.000 0.902 7 Q HN 0.677 nan 8.270 nan 0.000 0.421 8 I N 0.488 120.916 120.570 -0.236 0.000 2.233 8 I HA -0.235 3.891 4.170 -0.073 0.000 0.243 8 I C 2.289 178.371 176.117 -0.058 0.000 1.093 8 I CA 1.544 62.728 61.300 -0.193 0.000 1.380 8 I CB -0.403 37.427 38.000 -0.283 0.000 1.067 8 I HN 0.500 nan 8.210 nan 0.000 0.413 9 N N 0.662 119.373 118.700 0.018 0.000 2.104 9 N HA -0.254 4.442 4.740 -0.073 0.000 0.190 9 N C 1.528 177.070 175.510 0.054 0.000 1.024 9 N CA 1.543 54.666 53.050 0.122 0.000 0.853 9 N CB -0.121 38.425 38.487 0.099 0.000 1.008 9 N HN 0.317 nan 8.380 nan 0.000 0.424 10 D N 0.911 121.321 120.400 0.016 0.000 2.078 10 D HA -0.124 4.472 4.640 -0.073 0.000 0.193 10 D C 1.755 178.072 176.300 0.027 0.000 0.990 10 D CA 0.762 54.783 54.000 0.034 0.000 0.827 10 D CB -0.150 40.653 40.800 0.003 0.000 0.975 10 D HN 0.098 nan 8.370 nan 0.000 0.451 11 I N -0.142 120.412 120.570 -0.025 0.000 2.394 11 I HA -0.148 3.978 4.170 -0.073 0.000 0.251 11 I C 2.136 178.224 176.117 -0.047 0.000 1.136 11 I CA 0.767 62.045 61.300 -0.037 0.000 1.425 11 I CB -0.149 37.816 38.000 -0.059 0.000 1.079 11 I HN -0.047 nan 8.210 nan 0.000 0.425 12 V N -0.061 119.793 119.914 -0.101 0.000 2.307 12 V HA -0.295 3.782 4.120 -0.073 0.000 0.245 12 V C 2.511 178.607 176.094 0.004 0.000 1.045 12 V CA 2.169 64.366 62.300 -0.170 0.000 1.024 12 V CB -1.049 30.393 31.823 -0.635 0.000 0.651 12 V HN 0.508 nan 8.190 nan 0.000 0.449 13 H N 0.821 119.877 119.070 -0.023 0.000 2.352 13 H HA -0.092 4.421 4.556 -0.073 0.000 0.299 13 H C 2.397 177.753 175.328 0.047 0.000 1.097 13 H CA 1.885 57.993 56.048 0.100 0.000 1.311 13 H CB -0.043 29.782 29.762 0.106 0.000 1.377 13 H HN 0.258 nan 8.280 nan 0.000 0.504 14 R N -1.176 119.317 120.500 -0.012 0.000 2.236 14 R HA 0.008 4.305 4.340 -0.073 0.000 0.208 14 R C 1.587 177.836 176.300 -0.085 0.000 1.036 14 R CA 1.321 57.369 56.100 -0.087 0.000 1.001 14 R CB 0.303 30.586 30.300 -0.029 0.000 0.896 14 R HN 0.329 nan 8.270 nan 0.000 0.464 15 T N 0.654 115.168 114.554 -0.066 0.000 2.988 15 T HA 0.104 4.410 4.350 -0.073 0.000 0.240 15 T C 1.754 176.386 174.700 -0.113 0.000 1.014 15 T CA 0.324 62.387 62.100 -0.061 0.000 1.155 15 T CB 0.205 69.059 68.868 -0.024 0.000 0.872 15 T HN -0.033 nan 8.240 nan 0.000 0.440 16 I N 2.088 122.563 120.570 -0.158 0.000 2.406 16 I HA -0.053 4.073 4.170 -0.073 0.000 0.249 16 I C 2.531 178.347 176.117 -0.503 0.000 1.122 16 I CA 1.312 62.411 61.300 -0.334 0.000 1.431 16 I CB -1.771 35.948 38.000 -0.469 0.000 1.087 16 I HN 0.249 nan 8.210 nan 0.000 0.424 17 T N 2.018 116.335 114.554 -0.394 0.000 2.746 17 T HA -0.066 4.240 4.350 -0.073 0.000 0.267 17 T C -0.284 174.245 174.700 -0.284 0.000 1.039 17 T CA 1.454 63.330 62.100 -0.373 0.000 1.142 17 T CB -1.194 67.552 68.868 -0.203 0.000 0.866 17 T HN 0.231 nan 8.240 nan 0.000 0.444 18 P HA 0.039 nan 4.420 nan 0.000 0.219 18 P C 1.579 178.779 177.300 -0.168 0.000 1.150 18 P CA 0.392 63.395 63.100 -0.161 0.000 0.814 18 P CB -0.103 31.522 31.700 -0.124 0.000 0.787 19 L N -0.538 120.564 121.223 -0.202 0.000 2.017 19 L HA -0.122 4.175 4.340 -0.073 0.000 0.208 19 L C 2.113 178.813 176.870 -0.282 0.000 1.073 19 L CA 1.792 56.507 54.840 -0.208 0.000 0.745 19 L CB -1.133 40.804 42.059 -0.202 0.000 0.894 19 L HN -0.130 nan 8.230 nan 0.000 0.432 20 I N -0.669 119.692 120.570 -0.349 0.000 2.286 20 I HA -0.267 3.859 4.170 -0.073 0.000 0.248 20 I C 2.393 178.376 176.117 -0.223 0.000 1.115 20 I CA 1.203 62.300 61.300 -0.338 0.000 1.392 20 I CB -0.226 37.529 38.000 -0.408 0.000 1.065 20 I HN 0.331 nan 8.210 nan 0.000 0.418 21 E N 0.732 120.822 120.200 -0.183 0.000 2.046 21 E HA -0.199 4.107 4.350 -0.073 0.000 0.190 21 E C 2.211 178.750 176.600 -0.102 0.000 0.982 21 E CA 1.200 57.528 56.400 -0.119 0.000 0.800 21 E CB -0.043 29.599 29.700 -0.096 0.000 0.756 21 E HN 0.420 nan 8.360 nan 0.000 0.449 22 Q N -0.358 119.378 119.800 -0.107 0.000 2.084 22 Q HA -0.151 4.146 4.340 -0.073 0.000 0.202 22 Q C 1.796 177.752 176.000 -0.075 0.000 0.978 22 Q CA 1.153 56.909 55.803 -0.078 0.000 0.844 22 Q CB 0.003 28.701 28.738 -0.067 0.000 0.898 22 Q HN 0.235 nan 8.270 nan 0.000 0.426 23 Q N 0.222 119.948 119.800 -0.123 0.000 2.392 23 Q HA 0.068 4.365 4.340 -0.073 0.000 0.203 23 Q C -0.207 175.735 176.000 -0.098 0.000 0.917 23 Q CA 0.231 55.966 55.803 -0.113 0.000 0.939 23 Q CB 0.498 29.088 28.738 -0.247 0.000 1.063 23 Q HN 0.283 nan 8.270 nan 0.000 0.516 24 K N 0.798 121.134 120.400 -0.105 0.000 3.162 24 K HA -0.162 4.115 4.320 -0.073 0.000 0.268 24 K C -0.648 175.904 176.600 -0.080 0.000 1.062 24 K CA 0.173 56.413 56.287 -0.078 0.000 0.769 24 K CB -1.901 30.573 32.500 -0.044 0.000 1.274 24 K HN 0.253 nan 8.250 nan 0.000 0.478 25 I N 0.808 121.303 120.570 -0.125 0.000 2.396 25 I HA 0.026 4.152 4.170 -0.073 0.000 0.289 25 I C -0.983 175.113 176.117 -0.035 0.000 1.056 25 I CA -2.156 59.090 61.300 -0.090 0.000 1.365 25 I CB 0.833 38.723 38.000 -0.183 0.000 1.407 25 I HN 0.013 nan 8.210 nan 0.000 0.509 26 P HA -0.057 nan 4.420 nan 0.000 0.215 26 P C 0.420 177.778 177.300 0.096 0.000 1.157 26 P CA 0.609 63.706 63.100 -0.005 0.000 0.863 26 P CB 0.265 31.890 31.700 -0.125 0.000 0.787 27 G N -1.679 107.235 108.800 0.190 0.000 2.696 27 G HA2 0.695 4.611 3.960 -0.073 0.000 0.295 27 G HA3 0.695 4.611 3.960 -0.073 0.000 0.295 27 G C -1.875 173.270 174.900 0.408 0.000 1.398 27 G CA -0.371 44.907 45.100 0.298 0.000 0.920 27 G HN 0.052 nan 8.290 nan 0.000 0.492 28 M N 0.739 120.625 119.600 0.477 0.000 2.471 28 M HA 0.704 5.140 4.480 -0.073 0.000 0.284 28 M C -1.694 174.935 176.300 0.548 0.000 1.203 28 M CA -0.629 54.944 55.300 0.455 0.000 0.915 28 M CB 2.312 35.060 32.600 0.247 0.000 1.734 28 M HN 1.107 nan 8.290 nan 0.000 0.485 29 A N 3.061 126.077 122.820 0.328 0.000 2.398 29 A HA 0.838 5.115 4.320 -0.073 0.000 0.301 29 A C -1.828 175.948 177.584 0.319 0.000 1.041 29 A CA -0.583 51.653 52.037 0.332 0.000 0.711 29 A CB 1.713 20.822 19.000 0.182 0.000 1.240 29 A HN 0.611 nan 8.150 nan 0.000 0.420 30 V N 0.712 120.915 119.914 0.481 0.000 2.876 30 V HA 0.881 4.958 4.120 -0.073 0.000 0.312 30 V C 0.075 176.437 176.094 0.446 0.000 1.085 30 V CA -0.198 62.367 62.300 0.442 0.000 0.945 30 V CB 1.984 34.114 31.823 0.511 0.000 1.017 30 V HN 1.529 nan 8.190 nan 0.000 0.428 31 A N 3.149 126.152 122.820 0.305 0.000 2.398 31 A HA 0.865 5.141 4.320 -0.073 0.000 0.301 31 A C -1.338 176.335 177.584 0.148 0.000 1.041 31 A CA -0.516 51.614 52.037 0.155 0.000 0.711 31 A CB 1.879 20.914 19.000 0.059 0.000 1.240 31 A HN 0.673 nan 8.150 nan 0.000 0.420 32 V N 3.517 123.533 119.914 0.171 0.000 2.409 32 V HA 0.354 4.431 4.120 -0.073 0.000 0.291 32 V C -0.832 175.358 176.094 0.161 0.000 1.020 32 V CA -0.307 62.106 62.300 0.188 0.000 0.848 32 V CB 1.282 33.262 31.823 0.260 0.000 0.990 32 V HN 0.726 nan 8.190 nan 0.000 0.430 33 I N 5.925 126.547 120.570 0.088 0.000 2.312 33 I HA 0.325 4.452 4.170 -0.073 0.000 0.291 33 I C -0.611 175.601 176.117 0.159 0.000 1.031 33 I CA -0.228 61.101 61.300 0.047 0.000 1.293 33 I CB 0.550 38.514 38.000 -0.060 0.000 1.403 33 I HN 0.568 nan 8.210 nan 0.000 0.484 34 Y N 5.605 125.969 120.300 0.107 0.000 2.331 34 Y HA 0.334 4.840 4.550 -0.073 0.000 0.334 34 Y C 0.418 176.366 175.900 0.080 0.000 0.960 34 Y CA -0.900 57.269 58.100 0.115 0.000 1.130 34 Y CB 0.976 39.558 38.460 0.203 0.000 1.164 34 Y HN 0.688 nan 8.280 nan 0.000 0.458 35 Q N 4.453 123.971 119.800 -0.470 0.000 2.461 35 Q HA -0.284 4.013 4.340 -0.073 0.000 0.273 35 Q C 1.095 176.985 176.000 -0.183 0.000 1.163 35 Q CA 1.177 56.748 55.803 -0.387 0.000 0.929 35 Q CB -1.644 26.814 28.738 -0.466 0.000 1.334 35 Q HN 1.367 nan 8.270 nan 0.000 0.499 36 G N 0.009 108.723 108.800 -0.143 0.000 2.253 36 G HA2 -0.368 3.548 3.960 -0.073 0.000 0.251 36 G HA3 -0.368 3.548 3.960 -0.073 0.000 0.251 36 G C 0.081 174.914 174.900 -0.112 0.000 0.998 36 G CA 0.579 45.605 45.100 -0.124 0.000 0.621 36 G HN 0.343 nan 8.290 nan 0.000 0.524 37 K N 1.964 122.307 120.400 -0.094 0.000 2.130 37 K HA 0.572 4.849 4.320 -0.073 0.000 0.268 37 K C -2.478 173.908 176.600 -0.357 0.000 0.983 37 K CA -2.053 54.115 56.287 -0.197 0.000 0.893 37 K CB 2.267 34.653 32.500 -0.189 0.000 1.066 37 K HN 0.130 nan 8.250 nan 0.000 0.450 38 P HA 0.216 nan 4.420 nan 0.000 0.290 38 P C -1.575 175.121 177.300 -1.007 0.000 1.275 38 P CA -0.398 62.350 63.100 -0.586 0.000 0.841 38 P CB 0.762 32.195 31.700 -0.445 0.000 1.042 39 Y N 0.486 120.517 120.300 -0.449 0.000 2.421 39 Y HA 0.436 4.943 4.550 -0.073 0.000 0.339 39 Y C -0.154 175.389 175.900 -0.595 0.000 0.996 39 Y CA -0.481 57.386 58.100 -0.389 0.000 1.046 39 Y CB 1.779 40.160 38.460 -0.131 0.000 1.226 39 Y HN 0.276 nan 8.280 nan 0.000 0.445 40 Y N 2.322 122.482 120.300 -0.232 0.000 2.487 40 Y HA 0.743 5.249 4.550 -0.073 0.000 0.337 40 Y C -1.005 174.491 175.900 -0.673 0.000 1.076 40 Y CA -1.418 56.544 58.100 -0.229 0.000 1.115 40 Y CB 1.475 39.870 38.460 -0.108 0.000 1.235 40 Y HN 0.364 nan 8.280 nan 0.000 0.468 41 F N 0.016 120.033 119.950 0.112 0.000 2.581 41 F HA 0.621 5.104 4.527 -0.074 0.000 0.311 41 F C -0.370 175.282 175.800 -0.246 0.000 1.113 41 F CA -1.010 56.862 58.000 -0.214 0.000 0.935 41 F CB 2.299 41.110 39.000 -0.316 0.000 1.232 41 F HN 0.412 nan 8.300 nan 0.000 0.445 42 T N -1.404 112.961 114.554 -0.315 0.000 2.906 42 T HA 0.711 5.018 4.350 -0.073 0.000 0.295 42 T C -1.464 173.110 174.700 -0.209 0.000 1.061 42 T CA -0.754 61.317 62.100 -0.049 0.000 1.000 42 T CB 2.057 70.962 68.868 0.061 0.000 1.103 42 T HN 0.604 nan 8.240 nan 0.000 0.486 43 W N -0.045 121.344 121.300 0.149 0.000 3.118 43 W HA 0.501 5.116 4.660 -0.075 0.000 0.328 43 W C 0.852 177.388 176.519 0.028 0.000 1.239 43 W CA -0.178 57.213 57.345 0.077 0.000 1.176 43 W CB 1.597 31.103 29.460 0.076 0.000 1.433 43 W HN 1.363 nan 8.180 nan 0.000 0.562 44 G N 1.106 109.989 108.800 0.138 0.000 2.578 44 G HA2 -0.309 3.607 3.960 -0.073 0.000 0.275 44 G HA3 -0.309 3.607 3.960 -0.073 0.000 0.275 44 G C -1.329 173.448 174.900 -0.205 0.000 1.271 44 G CA 0.082 45.102 45.100 -0.132 0.000 0.941 44 G HN 0.526 nan 8.290 nan 0.000 0.564 45 Y N -0.382 120.004 120.300 0.143 0.000 2.487 45 Y HA 0.582 5.091 4.550 -0.070 0.000 0.337 45 Y C 1.343 177.346 175.900 0.170 0.000 1.076 45 Y CA -0.291 57.888 58.100 0.132 0.000 1.115 45 Y CB 1.996 40.505 38.460 0.082 0.000 1.235 45 Y HN 0.748 nan 8.280 nan 0.000 0.468 46 A N 0.263 123.295 122.820 0.353 0.000 2.044 46 A HA 0.030 4.306 4.320 -0.073 0.000 0.213 46 A C 0.084 177.874 177.584 0.343 0.000 1.169 46 A CA 0.909 53.096 52.037 0.250 0.000 0.724 46 A CB 0.175 19.260 19.000 0.142 0.000 0.840 46 A HN 0.665 nan 8.150 nan 0.000 0.463 47 D N -0.631 119.976 120.400 0.344 0.000 2.386 47 D HA 0.365 4.961 4.640 -0.073 0.000 0.247 47 D C 0.752 177.145 176.300 0.154 0.000 1.336 47 D CA -0.415 53.800 54.000 0.358 0.000 0.976 47 D CB 0.664 41.652 40.800 0.313 0.000 1.257 47 D HN 0.138 nan 8.370 nan 0.000 0.570 48 I N 1.419 122.076 120.570 0.145 0.000 2.091 48 I HA -0.216 3.911 4.170 -0.073 0.000 0.239 48 I C 1.476 177.462 176.117 -0.218 0.000 1.061 48 I CA 1.043 62.266 61.300 -0.129 0.000 1.317 48 I CB -0.291 37.575 38.000 -0.224 0.000 1.031 48 I HN 0.380 nan 8.210 nan 0.000 0.401 49 A N 0.576 123.334 122.820 -0.103 0.000 2.407 49 A HA 0.422 4.698 4.320 -0.073 0.000 0.248 49 A C 1.206 178.723 177.584 -0.111 0.000 1.082 49 A CA 0.732 52.697 52.037 -0.120 0.000 0.785 49 A CB 0.335 19.276 19.000 -0.099 0.000 1.020 49 A HN 0.493 nan 8.150 nan 0.000 0.489 50 K N -0.620 119.710 120.400 -0.117 0.000 3.553 50 K HA 0.055 4.332 4.320 -0.073 0.000 0.303 50 K C 1.456 177.975 176.600 -0.134 0.000 1.327 50 K CA 2.350 58.588 56.287 -0.081 0.000 0.983 50 K CB -3.043 29.447 32.500 -0.018 0.000 1.275 50 K HN 2.791 nan 8.250 nan 0.000 0.453 51 K N -0.197 120.013 120.400 -0.317 0.000 3.903 51 K HA -0.120 4.156 4.320 -0.073 0.000 0.275 51 K C 0.121 176.602 176.600 -0.198 0.000 0.825 51 K CA 2.258 58.148 56.287 -0.662 0.000 0.684 51 K CB -2.003 30.146 32.500 -0.585 0.000 1.707 51 K HN 1.655 nan 8.250 nan 0.000 0.435 52 Q N 0.492 120.285 119.800 -0.012 0.000 2.296 52 Q HA 0.420 4.716 4.340 -0.073 0.000 0.257 52 Q C -2.469 173.735 176.000 0.339 0.000 0.942 52 Q CA -2.060 53.836 55.803 0.156 0.000 0.939 52 Q CB 1.382 30.199 28.738 0.132 0.000 1.198 52 Q HN 0.471 nan 8.270 nan 0.000 0.429 53 P HA 0.026 nan 4.420 nan 0.000 0.272 53 P C -0.972 176.451 177.300 0.205 0.000 1.230 53 P CA -0.367 62.900 63.100 0.278 0.000 0.788 53 P CB 0.690 32.495 31.700 0.174 0.000 0.949 54 V N 1.889 121.921 119.914 0.197 0.000 2.530 54 V HA 0.388 4.464 4.120 -0.073 0.000 0.282 54 V C 0.862 177.061 176.094 0.174 0.000 1.048 54 V CA 0.391 62.827 62.300 0.227 0.000 0.997 54 V CB 0.626 32.657 31.823 0.348 0.000 0.987 54 V HN 0.801 nan 8.190 nan 0.000 0.477 55 T N 1.337 115.985 114.554 0.157 0.000 2.742 55 T HA 0.344 4.650 4.350 -0.073 0.000 0.282 55 T C 0.420 175.174 174.700 0.090 0.000 1.025 55 T CA -0.690 61.462 62.100 0.086 0.000 1.020 55 T CB 1.676 70.566 68.868 0.036 0.000 1.317 55 T HN 0.419 nan 8.240 nan 0.000 0.538 56 Q N -0.369 119.424 119.800 -0.012 0.000 2.488 56 Q HA 0.019 4.315 4.340 -0.073 0.000 0.211 56 Q C 1.464 177.425 176.000 -0.066 0.000 0.967 56 Q CA 1.017 56.772 55.803 -0.079 0.000 0.926 56 Q CB -0.102 28.478 28.738 -0.262 0.000 0.992 56 Q HN 0.621 nan 8.270 nan 0.000 0.506 57 Q N -0.694 119.074 119.800 -0.054 0.000 2.247 57 Q HA 0.101 4.397 4.340 -0.073 0.000 0.211 57 Q C -0.313 175.675 176.000 -0.019 0.000 0.861 57 Q CA 0.001 55.736 55.803 -0.114 0.000 0.949 57 Q CB 1.189 29.824 28.738 -0.171 0.000 1.115 57 Q HN 0.063 nan 8.270 nan 0.000 0.507 58 T N 1.263 115.865 114.554 0.080 0.000 2.870 58 T HA 0.258 4.565 4.350 -0.073 0.000 0.300 58 T C -0.139 174.633 174.700 0.119 0.000 0.989 58 T CA -0.018 62.127 62.100 0.075 0.000 1.139 58 T CB 0.514 69.431 68.868 0.082 0.000 0.920 58 T HN 0.134 nan 8.240 nan 0.000 0.537 59 L N 3.964 125.196 121.223 0.014 0.000 2.275 59 L HA 0.518 4.814 4.340 -0.073 0.000 0.288 59 L C -0.624 176.232 176.870 -0.022 0.000 1.046 59 L CA -0.597 54.261 54.840 0.029 0.000 0.805 59 L CB 0.467 42.454 42.059 -0.120 0.000 1.193 59 L HN 0.534 nan 8.230 nan 0.000 0.426 60 F N 0.709 120.678 119.950 0.031 0.000 2.492 60 F HA 0.374 4.859 4.527 -0.069 0.000 0.327 60 F C 0.458 176.032 175.800 -0.377 0.000 1.079 60 F CA -0.911 57.069 58.000 -0.033 0.000 0.967 60 F CB 1.403 40.529 39.000 0.210 0.000 1.169 60 F HN 0.388 nan 8.300 nan 0.000 0.472 61 E N 2.841 122.542 120.200 -0.831 0.000 2.290 61 E HA 0.171 4.478 4.350 -0.073 0.000 0.277 61 E C 0.442 176.952 176.600 -0.150 0.000 1.035 61 E CA -0.086 55.996 56.400 -0.530 0.000 0.873 61 E CB 1.003 30.304 29.700 -0.665 0.000 1.029 61 E HN 0.631 nan 8.360 nan 0.000 0.419 62 L N 2.705 123.924 121.223 -0.006 0.000 2.418 62 L HA 0.061 4.357 4.340 -0.073 0.000 0.218 62 L C 1.371 178.342 176.870 0.168 0.000 1.125 62 L CA 0.589 55.498 54.840 0.116 0.000 0.835 62 L CB -0.748 41.387 42.059 0.128 0.000 0.953 62 L HN 0.920 nan 8.230 nan 0.000 0.454 63 G N 0.287 109.189 108.800 0.170 0.000 2.547 63 G HA2 -0.354 3.562 3.960 -0.073 0.000 0.271 63 G HA3 -0.354 3.562 3.960 -0.073 0.000 0.271 63 G C 0.670 175.725 174.900 0.258 0.000 1.209 63 G CA 0.203 45.439 45.100 0.228 0.000 0.959 63 G HN 0.183 nan 8.290 nan 0.000 0.563 64 S N 0.006 115.861 115.700 0.257 0.000 2.603 64 S HA 0.111 4.538 4.470 -0.073 0.000 0.229 64 S C 2.224 176.960 174.600 0.227 0.000 0.972 64 S CA 1.087 59.452 58.200 0.275 0.000 0.935 64 S CB 0.117 63.525 63.200 0.347 0.000 0.769 64 S HN 0.782 nan 8.310 nan 0.000 0.536 65 V N 1.659 121.697 119.914 0.206 0.000 2.913 65 V HA -0.114 3.962 4.120 -0.073 0.000 0.260 65 V C 2.105 178.312 176.094 0.188 0.000 1.098 65 V CA 1.351 63.751 62.300 0.166 0.000 1.121 65 V CB -0.751 31.195 31.823 0.204 0.000 0.714 65 V HN 0.460 nan 8.190 nan 0.000 0.487 66 S N -0.238 115.605 115.700 0.238 0.000 2.419 66 S HA -0.202 4.224 4.470 -0.073 0.000 0.233 66 S C 1.915 176.675 174.600 0.266 0.000 1.016 66 S CA 1.151 59.529 58.200 0.296 0.000 0.974 66 S CB -0.240 63.061 63.200 0.169 0.000 0.786 66 S HN 0.631 nan 8.310 nan 0.000 0.492 67 K N 0.951 121.457 120.400 0.177 0.000 2.209 67 K HA -0.097 4.180 4.320 -0.073 0.000 0.204 67 K C 2.397 179.022 176.600 0.042 0.000 1.048 67 K CA 1.588 57.959 56.287 0.139 0.000 0.940 67 K CB -0.427 32.177 32.500 0.173 0.000 0.729 67 K HN 0.605 nan 8.250 nan 0.000 0.451 68 T N -1.400 113.078 114.554 -0.126 0.000 2.904 68 T HA -0.076 4.230 4.350 -0.073 0.000 0.267 68 T C 1.714 176.415 174.700 0.002 0.000 1.059 68 T CA 0.704 62.541 62.100 -0.438 0.000 1.137 68 T CB -0.307 67.854 68.868 -1.178 0.000 0.879 68 T HN -0.005 nan 8.240 nan 0.000 0.467 69 F N 2.250 122.260 119.950 0.099 0.000 2.128 69 F HA 0.050 4.534 4.527 -0.072 0.000 0.295 69 F C 2.997 178.873 175.800 0.126 0.000 1.100 69 F CA 1.338 59.372 58.000 0.056 0.000 1.260 69 F CB -1.108 37.808 39.000 -0.140 0.000 1.009 69 F HN 0.122 nan 8.300 nan 0.000 0.476 70 T N -0.567 114.197 114.554 0.350 0.000 2.746 70 T HA -0.151 4.156 4.350 -0.073 0.000 0.267 70 T C 2.344 177.239 174.700 0.325 0.000 1.039 70 T CA 1.419 63.734 62.100 0.359 0.000 1.142 70 T CB -1.041 68.023 68.868 0.326 0.000 0.866 70 T HN 0.440 nan 8.240 nan 0.000 0.444 71 G N 0.920 109.873 108.800 0.254 0.000 2.418 71 G HA2 -0.165 3.751 3.960 -0.073 0.000 0.217 71 G HA3 -0.165 3.751 3.960 -0.073 0.000 0.217 71 G C 1.687 176.749 174.900 0.270 0.000 1.158 71 G CA 0.821 46.062 45.100 0.236 0.000 0.771 71 G HN 0.444 nan 8.290 nan 0.000 0.545 72 V N 0.555 120.643 119.914 0.289 0.000 2.427 72 V HA -0.081 3.995 4.120 -0.073 0.000 0.248 72 V C 2.646 178.864 176.094 0.207 0.000 1.051 72 V CA 1.429 63.906 62.300 0.294 0.000 1.048 72 V CB -0.275 31.814 31.823 0.443 0.000 0.666 72 V HN 0.338 nan 8.190 nan 0.000 0.456 73 L N 1.407 122.728 121.223 0.164 0.000 2.046 73 L HA -0.004 4.293 4.340 -0.073 0.000 0.208 73 L C 2.348 179.235 176.870 0.029 0.000 1.077 73 L CA 2.430 57.283 54.840 0.022 0.000 0.747 73 L CB -1.307 40.683 42.059 -0.115 0.000 0.896 73 L HN 0.262 nan 8.230 nan 0.000 0.432 74 G N -1.086 107.790 108.800 0.127 0.000 2.418 74 G HA2 -0.221 3.696 3.960 -0.073 0.000 0.217 74 G HA3 -0.221 3.696 3.960 -0.073 0.000 0.217 74 G C 1.527 176.537 174.900 0.183 0.000 1.158 74 G CA 0.580 45.774 45.100 0.156 0.000 0.771 74 G HN 0.592 nan 8.290 nan 0.000 0.545 75 G N 0.532 109.452 108.800 0.201 0.000 2.422 75 G HA2 -0.219 3.698 3.960 -0.073 0.000 0.218 75 G HA3 -0.219 3.698 3.960 -0.073 0.000 0.218 75 G C 1.448 176.408 174.900 0.100 0.000 1.146 75 G CA 1.367 46.563 45.100 0.160 0.000 0.769 75 G HN 0.512 nan 8.290 nan 0.000 0.547 76 D N 0.492 120.937 120.400 0.075 0.000 2.144 76 D HA 0.067 4.663 4.640 -0.073 0.000 0.200 76 D C 2.634 178.937 176.300 0.005 0.000 0.978 76 D CA 1.317 55.337 54.000 0.034 0.000 0.833 76 D CB -0.245 40.563 40.800 0.013 0.000 0.961 76 D HN 0.232 nan 8.370 nan 0.000 0.470 77 A N -0.039 122.772 122.820 -0.015 0.000 1.969 77 A HA -0.050 4.226 4.320 -0.073 0.000 0.218 77 A C 2.292 179.867 177.584 -0.014 0.000 1.169 77 A CA 0.839 52.849 52.037 -0.046 0.000 0.635 77 A CB -0.647 18.288 19.000 -0.109 0.000 0.810 77 A HN 0.382 nan 8.150 nan 0.000 0.445 78 I N -0.374 120.211 120.570 0.024 0.000 2.252 78 I HA -0.221 3.905 4.170 -0.073 0.000 0.245 78 I C 2.918 179.059 176.117 0.041 0.000 1.102 78 I CA 0.983 62.311 61.300 0.046 0.000 1.385 78 I CB -0.335 37.715 38.000 0.085 0.000 1.064 78 I HN 0.331 nan 8.210 nan 0.000 0.414 79 A N 0.852 123.696 122.820 0.039 0.000 1.972 79 A HA -0.167 4.109 4.320 -0.073 0.000 0.219 79 A C 2.302 179.897 177.584 0.018 0.000 1.169 79 A CA 1.345 53.401 52.037 0.031 0.000 0.635 79 A CB -0.525 18.493 19.000 0.030 0.000 0.810 79 A HN 0.342 nan 8.150 nan 0.000 0.446 80 R N -1.502 119.003 120.500 0.008 0.000 2.307 80 R HA 0.153 4.449 4.340 -0.073 0.000 0.199 80 R C 1.324 177.627 176.300 0.005 0.000 1.000 80 R CA 0.541 56.641 56.100 -0.001 0.000 1.023 80 R CB -0.150 30.140 30.300 -0.016 0.000 0.908 80 R HN 0.686 nan 8.270 nan 0.000 0.473 81 G N 1.197 110.006 108.800 0.015 0.000 2.143 81 G HA2 -0.311 3.605 3.960 -0.073 0.000 0.248 81 G HA3 -0.311 3.605 3.960 -0.073 0.000 0.248 81 G C 0.516 175.433 174.900 0.028 0.000 0.991 81 G CA 0.572 45.687 45.100 0.025 0.000 0.689 81 G HN 0.468 nan 8.290 nan 0.000 0.522 82 E N -0.534 119.674 120.200 0.012 0.000 2.158 82 E HA 0.234 4.540 4.350 -0.073 0.000 0.191 82 E C 1.556 178.177 176.600 0.035 0.000 0.982 82 E CA 1.136 57.544 56.400 0.012 0.000 0.823 82 E CB 0.223 29.905 29.700 -0.029 0.000 0.766 82 E HN 0.914 nan 8.360 nan 0.000 0.468 83 I N -2.572 118.003 120.570 0.008 0.000 3.191 83 I HA 0.498 4.624 4.170 -0.073 0.000 0.313 83 I C -1.409 174.750 176.117 0.070 0.000 1.193 83 I CA -1.301 60.004 61.300 0.009 0.000 0.968 83 I CB 2.348 40.198 38.000 -0.250 0.000 1.262 83 I HN -0.342 nan 8.210 nan 0.000 0.456 84 K N 2.746 123.226 120.400 0.134 0.000 2.443 84 K HA 0.473 4.749 4.320 -0.073 0.000 0.252 84 K C 0.022 176.700 176.600 0.130 0.000 0.933 84 K CA -0.755 55.607 56.287 0.125 0.000 0.792 84 K CB 2.971 35.549 32.500 0.131 0.000 1.185 84 K HN 0.627 nan 8.250 nan 0.000 0.425 85 L N 0.950 122.229 121.223 0.093 0.000 2.265 85 L HA -0.140 4.157 4.340 -0.073 0.000 0.215 85 L C 1.605 178.498 176.870 0.037 0.000 1.117 85 L CA 1.208 56.077 54.840 0.049 0.000 0.782 85 L CB -0.127 41.916 42.059 -0.027 0.000 0.914 85 L HN 0.634 nan 8.230 nan 0.000 0.441 86 S N -1.396 114.344 115.700 0.067 0.000 2.489 86 S HA -0.034 4.393 4.470 -0.073 0.000 0.228 86 S C 0.461 175.118 174.600 0.095 0.000 0.995 86 S CA 0.195 58.432 58.200 0.062 0.000 0.934 86 S CB -0.228 63.013 63.200 0.068 0.000 0.771 86 S HN 0.348 nan 8.310 nan 0.000 0.522 87 D N 2.451 122.942 120.400 0.151 0.000 2.382 87 D HA 0.254 4.850 4.640 -0.073 0.000 0.245 87 D C -2.475 173.950 176.300 0.208 0.000 1.120 87 D CA -1.602 52.510 54.000 0.186 0.000 0.890 87 D CB 0.306 41.286 40.800 0.300 0.000 1.201 87 D HN 0.059 nan 8.370 nan 0.000 0.433 88 P HA 0.057 nan 4.420 nan 0.000 0.269 88 P C 0.702 178.131 177.300 0.214 0.000 1.215 88 P CA -0.060 63.142 63.100 0.170 0.000 0.780 88 P CB 0.596 32.360 31.700 0.106 0.000 0.898 89 T N -0.167 114.549 114.554 0.270 0.000 2.867 89 T HA -0.134 4.172 4.350 -0.073 0.000 0.268 89 T C 1.654 176.464 174.700 0.184 0.000 1.057 89 T CA 2.127 64.398 62.100 0.285 0.000 1.136 89 T CB -0.950 68.102 68.868 0.306 0.000 0.874 89 T HN 0.610 nan 8.240 nan 0.000 0.466 90 T N 0.500 115.113 114.554 0.099 0.000 3.007 90 T HA -0.023 4.283 4.350 -0.073 0.000 0.270 90 T C 1.777 176.458 174.700 -0.033 0.000 1.107 90 T CA 0.993 63.102 62.100 0.015 0.000 1.118 90 T CB -0.245 68.625 68.868 0.003 0.000 0.889 90 T HN 0.385 nan 8.240 nan 0.000 0.506 91 K N 0.026 120.343 120.400 -0.138 0.000 2.148 91 K HA -0.082 4.194 4.320 -0.073 0.000 0.204 91 K C 1.137 177.436 176.600 -0.501 0.000 1.050 91 K CA 1.114 57.178 56.287 -0.372 0.000 0.942 91 K CB -0.157 31.990 32.500 -0.590 0.000 0.724 91 K HN 0.528 nan 8.250 nan 0.000 0.446 92 Y N -2.353 117.980 120.300 0.056 0.000 2.449 92 Y HA 0.111 4.617 4.550 -0.073 0.000 0.254 92 Y C 0.223 176.172 175.900 0.081 0.000 1.140 92 Y CA -0.387 57.731 58.100 0.030 0.000 1.272 92 Y CB 0.527 38.979 38.460 -0.015 0.000 1.114 92 Y HN 0.138 nan 8.280 nan 0.000 0.525 93 W N 2.003 123.283 121.300 -0.032 0.000 1.949 93 W HA 0.411 5.028 4.660 -0.073 0.000 0.299 93 W C -2.518 173.937 176.519 -0.105 0.000 0.959 93 W CA -3.625 53.670 57.345 -0.083 0.000 1.665 93 W CB 0.780 30.148 29.460 -0.153 0.000 1.829 93 W HN -0.093 nan 8.180 nan 0.000 0.375 94 P HA -0.260 nan 4.420 nan 0.000 0.219 94 P C 1.341 178.606 177.300 -0.059 0.000 1.144 94 P CA 1.897 65.012 63.100 0.025 0.000 0.806 94 P CB 0.386 32.109 31.700 0.038 0.000 0.771 95 E N -1.173 118.973 120.200 -0.090 0.000 2.274 95 E HA -0.071 4.236 4.350 -0.073 0.000 0.194 95 E C 0.505 176.793 176.600 -0.520 0.000 0.996 95 E CA 0.227 56.470 56.400 -0.261 0.000 0.840 95 E CB -0.616 28.974 29.700 -0.183 0.000 0.772 95 E HN 0.042 nan 8.360 nan 0.000 0.491 96 L N 1.491 122.270 121.223 -0.741 0.000 2.395 96 L HA 0.112 4.409 4.340 -0.073 0.000 0.268 96 L C 0.863 177.513 176.870 -0.366 0.000 1.223 96 L CA 0.525 54.900 54.840 -0.775 0.000 1.093 96 L CB -0.041 41.378 42.059 -1.067 0.000 1.349 96 L HN 0.094 nan 8.230 nan 0.000 0.427 97 T N -0.669 113.749 114.554 -0.225 0.000 3.044 97 T HA 0.313 4.620 4.350 -0.073 0.000 0.250 97 T C 0.960 175.665 174.700 0.008 0.000 1.081 97 T CA 0.227 62.278 62.100 -0.081 0.000 1.040 97 T CB -0.011 68.816 68.868 -0.067 0.000 0.962 97 T HN 0.507 nan 8.240 nan 0.000 0.506 98 A N 3.304 126.152 122.820 0.046 0.000 2.565 98 A HA 0.292 4.569 4.320 -0.073 0.000 0.237 98 A C 1.879 179.573 177.584 0.182 0.000 1.053 98 A CA -0.129 51.989 52.037 0.136 0.000 0.755 98 A CB 0.318 19.456 19.000 0.231 0.000 0.980 98 A HN 0.451 nan 8.150 nan 0.000 0.506 99 K N 2.741 123.196 120.400 0.091 0.000 2.211 99 K HA -0.228 4.048 4.320 -0.073 0.000 0.204 99 K C 1.381 178.007 176.600 0.044 0.000 1.047 99 K CA 2.022 58.345 56.287 0.060 0.000 0.935 99 K CB -0.403 32.105 32.500 0.012 0.000 0.728 99 K HN 0.878 nan 8.250 nan 0.000 0.452 100 Q N -0.284 119.516 119.800 -0.001 0.000 2.437 100 Q HA -0.126 4.170 4.340 -0.073 0.000 0.210 100 Q C 0.970 176.875 176.000 -0.157 0.000 0.972 100 Q CA 0.947 56.657 55.803 -0.155 0.000 0.903 100 Q CB -0.594 27.933 28.738 -0.352 0.000 0.967 100 Q HN 0.495 nan 8.270 nan 0.000 0.486 101 W N 1.705 123.038 121.300 0.056 0.000 3.139 101 W HA 0.176 4.791 4.660 -0.074 0.000 0.260 101 W C -0.077 176.487 176.519 0.075 0.000 1.312 101 W CA -0.592 56.813 57.345 0.101 0.000 1.606 101 W CB 0.059 29.566 29.460 0.078 0.000 1.118 101 W HN 0.043 nan 8.180 nan 0.000 0.675 102 N N 0.353 119.168 118.700 0.193 0.000 2.468 102 N HA 0.332 5.028 4.740 -0.073 0.000 0.265 102 N C 1.068 176.646 175.510 0.114 0.000 1.199 102 N CA 1.800 54.932 53.050 0.137 0.000 0.928 102 N CB 0.690 39.226 38.487 0.082 0.000 1.059 102 N HN 0.161 nan 8.380 nan 0.000 0.467 103 G N 1.716 110.600 108.800 0.140 0.000 2.213 103 G HA2 -0.259 3.657 3.960 -0.073 0.000 0.236 103 G HA3 -0.259 3.657 3.960 -0.073 0.000 0.236 103 G C 0.114 175.141 174.900 0.212 0.000 0.991 103 G CA -0.417 44.769 45.100 0.143 0.000 0.629 103 G HN 0.522 nan 8.290 nan 0.000 0.517 104 I N 3.185 123.898 120.570 0.238 0.000 2.322 104 I HA 0.379 4.505 4.170 -0.073 0.000 0.292 104 I C 1.264 177.651 176.117 0.451 0.000 1.060 104 I CA 0.266 61.770 61.300 0.340 0.000 1.309 104 I CB 0.976 39.140 38.000 0.273 0.000 1.415 104 I HN 0.331 nan 8.210 nan 0.000 0.492 105 T N 3.083 117.972 114.554 0.557 0.000 2.923 105 T HA 0.439 4.745 4.350 -0.073 0.000 0.281 105 T C 1.235 176.048 174.700 0.188 0.000 0.995 105 T CA -0.856 61.389 62.100 0.243 0.000 0.985 105 T CB 1.389 70.273 68.868 0.027 0.000 1.114 105 T HN 0.418 nan 8.240 nan 0.000 0.548 106 L N 0.248 121.571 121.223 0.166 0.000 2.131 106 L HA -0.013 4.283 4.340 -0.073 0.000 0.210 106 L C 2.560 179.415 176.870 -0.024 0.000 1.092 106 L CA 0.911 55.866 54.840 0.191 0.000 0.759 106 L CB -0.798 41.411 42.059 0.251 0.000 0.903 106 L HN 0.607 nan 8.230 nan 0.000 0.435 107 L N -0.272 120.855 121.223 -0.161 0.000 2.012 107 L HA -0.261 4.035 4.340 -0.073 0.000 0.210 107 L C 2.402 179.080 176.870 -0.319 0.000 1.073 107 L CA 1.978 56.610 54.840 -0.348 0.000 0.748 107 L CB -0.646 41.199 42.059 -0.357 0.000 0.891 107 L HN 0.227 nan 8.230 nan 0.000 0.431 108 H N -0.929 118.088 119.070 -0.089 0.000 2.319 108 H HA -0.168 4.344 4.556 -0.073 0.000 0.299 108 H C 2.243 177.509 175.328 -0.104 0.000 1.092 108 H CA 1.911 57.914 56.048 -0.076 0.000 1.302 108 H CB -0.250 29.516 29.762 0.007 0.000 1.373 108 H HN 0.321 nan 8.280 nan 0.000 0.497 109 L N 0.051 121.316 121.223 0.070 0.000 2.046 109 L HA -0.176 4.120 4.340 -0.073 0.000 0.208 109 L C 2.785 179.555 176.870 -0.167 0.000 1.077 109 L CA 0.857 55.721 54.840 0.039 0.000 0.747 109 L CB -0.463 41.699 42.059 0.171 0.000 0.896 109 L HN 0.363 nan 8.230 nan 0.000 0.432 110 A N -0.315 122.227 122.820 -0.463 0.000 1.969 110 A HA -0.135 4.141 4.320 -0.073 0.000 0.218 110 A C 2.064 179.192 177.584 -0.760 0.000 1.169 110 A CA 1.863 53.378 52.037 -0.871 0.000 0.635 110 A CB -0.621 17.421 19.000 -1.597 0.000 0.810 110 A HN 0.498 nan 8.150 nan 0.000 0.445 111 T N -5.754 108.446 114.554 -0.590 0.000 3.176 111 T HA 0.323 4.630 4.350 -0.073 0.000 0.263 111 T C 0.271 174.740 174.700 -0.386 0.000 1.021 111 T CA 0.175 61.955 62.100 -0.534 0.000 0.905 111 T CB -0.917 67.805 68.868 -0.243 0.000 1.057 111 T HN 0.652 nan 8.240 nan 0.000 0.558 112 Y N -0.246 120.019 120.300 -0.058 0.000 4.177 112 Y HA -0.247 4.259 4.550 -0.073 0.000 0.227 112 Y C 0.932 176.789 175.900 -0.072 0.000 1.154 112 Y CA 0.493 58.568 58.100 -0.042 0.000 1.887 112 Y CB -2.992 35.465 38.460 -0.004 0.000 1.594 112 Y HN 0.367 nan 8.280 nan 0.000 0.668 113 T N -1.450 113.112 114.554 0.012 0.000 3.215 113 T HA 0.497 4.803 4.350 -0.073 0.000 0.271 113 T C 1.575 176.279 174.700 0.006 0.000 1.012 113 T CA 0.454 62.528 62.100 -0.044 0.000 0.899 113 T CB 0.365 69.162 68.868 -0.119 0.000 1.089 113 T HN 0.567 nan 8.240 nan 0.000 0.552 114 A N 1.081 123.929 122.820 0.046 0.000 2.014 114 A HA 0.505 4.781 4.320 -0.073 0.000 0.218 114 A C 1.830 179.466 177.584 0.086 0.000 1.163 114 A CA 0.941 52.976 52.037 -0.003 0.000 0.652 114 A CB -0.294 18.686 19.000 -0.033 0.000 0.808 114 A HN 0.760 nan 8.150 nan 0.000 0.449 115 G N -3.334 105.609 108.800 0.238 0.000 2.192 115 G HA2 0.431 4.348 3.960 -0.073 0.000 0.152 115 G HA3 0.431 4.348 3.960 -0.073 0.000 0.152 115 G C 0.954 176.203 174.900 0.582 0.000 1.057 115 G CA 0.394 45.741 45.100 0.412 0.000 0.748 115 G HN 1.933 nan 8.290 nan 0.000 0.488 116 G N -0.771 108.382 108.800 0.588 0.000 2.135 116 G HA2 -0.103 3.813 3.960 -0.073 0.000 0.183 116 G HA3 -0.103 3.813 3.960 -0.073 0.000 0.183 116 G C 0.449 175.587 174.900 0.396 0.000 1.004 116 G CA -0.027 45.371 45.100 0.496 0.000 0.677 116 G HN 1.197 nan 8.290 nan 0.000 0.512 117 L N 2.269 123.558 121.223 0.110 0.000 2.525 117 L HA 0.234 4.530 4.340 -0.073 0.000 0.278 117 L C -0.765 176.128 176.870 0.038 0.000 1.218 117 L CA -1.192 53.491 54.840 -0.262 0.000 0.878 117 L CB 0.363 42.207 42.059 -0.360 0.000 1.127 117 L HN 0.096 nan 8.230 nan 0.000 0.492 118 P HA -0.098 nan 4.420 nan 0.000 0.267 118 P C 0.525 177.891 177.300 0.110 0.000 1.200 118 P CA -0.340 62.846 63.100 0.143 0.000 0.772 118 P CB 0.956 32.779 31.700 0.206 0.000 0.855 119 L N 2.578 123.861 121.223 0.099 0.000 2.042 119 L HA -0.161 4.135 4.340 -0.073 0.000 0.210 119 L C 0.968 177.871 176.870 0.055 0.000 1.076 119 L CA 1.952 56.833 54.840 0.068 0.000 0.749 119 L CB -0.769 41.345 42.059 0.091 0.000 0.893 119 L HN 0.460 nan 8.230 nan 0.000 0.432 120 Q N -0.928 118.908 119.800 0.060 0.000 2.348 120 Q HA 0.535 4.832 4.340 -0.073 0.000 0.271 120 Q C -1.037 174.964 176.000 0.001 0.000 1.067 120 Q CA -1.045 54.778 55.803 0.034 0.000 0.839 120 Q CB 2.370 31.115 28.738 0.012 0.000 1.354 120 Q HN -0.081 nan 8.270 nan 0.000 0.447 121 V N 2.827 122.710 119.914 -0.050 0.000 2.406 121 V HA 0.213 4.290 4.120 -0.073 0.000 0.272 121 V C -2.064 173.871 176.094 -0.265 0.000 1.043 121 V CA -1.662 60.484 62.300 -0.256 0.000 0.915 121 V CB 0.547 32.246 31.823 -0.208 0.000 0.988 121 V HN 0.658 nan 8.190 nan 0.000 0.466 122 P HA -0.056 nan 4.420 nan 0.000 0.263 122 P C 0.636 177.839 177.300 -0.162 0.000 1.168 122 P CA 0.330 63.299 63.100 -0.218 0.000 0.759 122 P CB 0.434 31.988 31.700 -0.242 0.000 0.782 123 D N 2.492 122.844 120.400 -0.080 0.000 2.218 123 D HA -0.155 4.441 4.640 -0.073 0.000 0.204 123 D C 1.169 177.443 176.300 -0.044 0.000 0.976 123 D CA 1.317 55.290 54.000 -0.044 0.000 0.853 123 D CB 0.127 40.917 40.800 -0.017 0.000 0.939 123 D HN 0.491 nan 8.370 nan 0.000 0.481 124 E N 0.345 120.514 120.200 -0.052 0.000 2.204 124 E HA -0.032 4.275 4.350 -0.073 0.000 0.194 124 E C 0.606 177.179 176.600 -0.045 0.000 0.989 124 E CA 0.045 56.425 56.400 -0.034 0.000 0.824 124 E CB 0.079 29.767 29.700 -0.020 0.000 0.756 124 E HN 0.029 nan 8.360 nan 0.000 0.477 125 V N 2.026 121.881 119.914 -0.098 0.000 2.421 125 V HA -0.022 4.054 4.120 -0.073 0.000 0.271 125 V C 0.888 176.946 176.094 -0.060 0.000 1.031 125 V CA 0.727 62.964 62.300 -0.105 0.000 1.032 125 V CB 0.716 32.380 31.823 -0.265 0.000 1.009 125 V HN 0.173 nan 8.190 nan 0.000 0.477 126 K N 2.087 122.477 120.400 -0.017 0.000 2.524 126 K HA 0.220 4.496 4.320 -0.073 0.000 0.210 126 K C 0.877 177.484 176.600 0.012 0.000 1.340 126 K CA -0.120 56.165 56.287 -0.004 0.000 0.880 126 K CB 0.159 32.660 32.500 0.002 0.000 1.616 126 K HN 0.533 nan 8.250 nan 0.000 0.457 127 S N 1.260 116.976 115.700 0.026 0.000 2.587 127 S HA 0.008 4.434 4.470 -0.073 0.000 0.260 127 S C 1.124 175.762 174.600 0.064 0.000 1.353 127 S CA -0.352 57.870 58.200 0.038 0.000 0.995 127 S CB 1.149 64.374 63.200 0.043 0.000 0.912 127 S HN 0.181 nan 8.310 nan 0.000 0.568 128 S N 1.290 117.029 115.700 0.065 0.000 2.423 128 S HA -0.078 4.349 4.470 -0.073 0.000 0.231 128 S C 2.104 176.804 174.600 0.166 0.000 1.014 128 S CA 0.980 59.239 58.200 0.098 0.000 0.965 128 S CB -0.235 63.003 63.200 0.063 0.000 0.785 128 S HN 0.612 nan 8.310 nan 0.000 0.495 129 S N 1.940 117.714 115.700 0.124 0.000 2.355 129 S HA -0.110 4.317 4.470 -0.073 0.000 0.222 129 S C 1.550 176.235 174.600 0.142 0.000 1.031 129 S CA 1.178 59.454 58.200 0.126 0.000 0.993 129 S CB -0.465 62.785 63.200 0.084 0.000 0.859 129 S HN 0.472 nan 8.310 nan 0.000 0.453 130 D N 1.325 121.796 120.400 0.119 0.000 2.123 130 D HA -0.074 4.522 4.640 -0.073 0.000 0.196 130 D C 1.901 178.315 176.300 0.190 0.000 0.992 130 D CA 0.637 54.708 54.000 0.118 0.000 0.833 130 D CB -0.491 40.347 40.800 0.064 0.000 0.954 130 D HN 0.162 nan 8.370 nan 0.000 0.455 131 L N 0.564 121.922 121.223 0.227 0.000 2.046 131 L HA -0.127 4.169 4.340 -0.073 0.000 0.208 131 L C 2.210 179.419 176.870 0.566 0.000 1.077 131 L CA 1.148 56.218 54.840 0.383 0.000 0.747 131 L CB -0.641 41.645 42.059 0.379 0.000 0.896 131 L HN 0.029 nan 8.230 nan 0.000 0.432 132 L N 0.124 121.628 121.223 0.468 0.000 2.017 132 L HA -0.199 4.097 4.340 -0.073 0.000 0.208 132 L C 2.810 179.754 176.870 0.124 0.000 1.073 132 L CA 2.118 57.124 54.840 0.278 0.000 0.745 132 L CB -0.776 41.405 42.059 0.203 0.000 0.894 132 L HN 0.451 nan 8.230 nan 0.000 0.432 133 R N -1.151 119.438 120.500 0.149 0.000 2.148 133 R HA -0.195 4.101 4.340 -0.073 0.000 0.227 133 R C 2.290 178.681 176.300 0.151 0.000 1.103 133 R CA 1.610 57.777 56.100 0.111 0.000 0.983 133 R CB -1.418 28.942 30.300 0.100 0.000 0.874 133 R HN 0.422 nan 8.270 nan 0.000 0.451 134 F N 1.656 121.642 119.950 0.059 0.000 2.102 134 F HA -0.165 4.320 4.527 -0.070 0.000 0.298 134 F C 1.507 177.328 175.800 0.036 0.000 1.105 134 F CA 1.121 59.118 58.000 -0.004 0.000 1.239 134 F CB -0.391 38.536 39.000 -0.122 0.000 0.991 134 F HN -0.143 nan 8.300 nan 0.000 0.474 135 Y N 0.362 120.635 120.300 -0.045 0.000 2.337 135 Y HA -0.102 4.405 4.550 -0.073 0.000 0.293 135 Y C 2.583 178.608 175.900 0.208 0.000 1.123 135 Y CA 1.293 59.394 58.100 0.002 0.000 1.201 135 Y CB -0.760 37.672 38.460 -0.047 0.000 1.011 135 Y HN 0.115 nan 8.280 nan 0.000 0.545 136 Q N -0.003 119.889 119.800 0.153 0.000 2.224 136 Q HA -0.140 4.156 4.340 -0.073 0.000 0.203 136 Q C 1.154 177.258 176.000 0.175 0.000 0.970 136 Q CA 1.211 57.095 55.803 0.134 0.000 0.865 136 Q CB -0.407 28.325 28.738 -0.010 0.000 0.922 136 Q HN 0.660 nan 8.270 nan 0.000 0.445 137 N N -0.787 117.979 118.700 0.111 0.000 2.353 137 N HA -0.039 4.657 4.740 -0.073 0.000 0.185 137 N C -0.103 175.427 175.510 0.034 0.000 1.098 137 N CA -0.417 52.665 53.050 0.054 0.000 0.872 137 N CB 0.230 38.742 38.487 0.041 0.000 0.970 137 N HN 0.146 nan 8.380 nan 0.000 0.467 138 W N 2.537 123.755 121.300 -0.138 0.000 2.210 138 W HA 0.153 4.770 4.660 -0.072 0.000 0.330 138 W C -0.336 176.080 176.519 -0.172 0.000 1.334 138 W CA -0.060 57.158 57.345 -0.211 0.000 1.227 138 W CB 0.516 29.823 29.460 -0.256 0.000 1.178 138 W HN -0.138 nan 8.180 nan 0.000 0.560 139 Q N 7.164 126.363 119.800 -1.002 0.000 2.325 139 Q HA 0.449 4.745 4.340 -0.073 0.000 0.270 139 Q C -2.323 172.783 176.000 -1.490 0.000 1.020 139 Q CA -2.396 52.771 55.803 -1.059 0.000 0.785 139 Q CB 1.666 30.085 28.738 -0.531 0.000 1.259 139 Q HN 0.204 nan 8.270 nan 0.000 0.452 140 P HA 0.076 nan 4.420 nan 0.000 0.267 140 P C -0.665 176.257 177.300 -0.629 0.000 1.200 140 P CA 0.172 62.639 63.100 -1.055 0.000 0.772 140 P CB 1.046 32.280 31.700 -0.776 0.000 0.855 141 A N 2.097 124.562 122.820 -0.591 0.000 2.115 141 A HA 0.166 4.442 4.320 -0.073 0.000 0.211 141 A C 0.008 176.939 177.584 -1.089 0.000 1.169 141 A CA 0.642 52.089 52.037 -0.983 0.000 0.787 141 A CB -0.043 17.998 19.000 -1.599 0.000 0.858 141 A HN 0.523 nan 8.150 nan 0.000 0.474 142 W N -2.667 118.590 121.300 -0.072 0.000 3.042 142 W HA 0.640 5.256 4.660 -0.074 0.000 0.342 142 W C -0.118 176.347 176.519 -0.091 0.000 1.240 142 W CA -1.196 56.110 57.345 -0.065 0.000 1.166 142 W CB 0.972 30.412 29.460 -0.033 0.000 1.469 142 W HN 0.102 nan 8.180 nan 0.000 0.579 143 A N 3.185 126.103 122.820 0.164 0.000 2.351 143 A HA 0.561 4.838 4.320 -0.073 0.000 0.257 143 A C -2.036 175.555 177.584 0.012 0.000 1.087 143 A CA -0.997 51.063 52.037 0.038 0.000 0.798 143 A CB -0.588 18.427 19.000 0.026 0.000 1.033 143 A HN 0.157 nan 8.150 nan 0.000 0.488 144 P HA 0.191 nan 4.420 nan 0.000 0.268 144 P C 0.696 177.863 177.300 -0.222 0.000 1.205 144 P CA 1.450 64.377 63.100 -0.289 0.000 0.771 144 P CB 0.684 32.079 31.700 -0.507 0.000 0.858 145 G N 2.149 110.828 108.800 -0.201 0.000 2.160 145 G HA2 -0.260 3.656 3.960 -0.073 0.000 0.251 145 G HA3 -0.260 3.656 3.960 -0.073 0.000 0.251 145 G C 0.591 175.475 174.900 -0.027 0.000 1.008 145 G CA 0.696 45.809 45.100 0.022 0.000 0.724 145 G HN 0.752 nan 8.290 nan 0.000 0.514 146 T N -5.010 109.498 114.554 -0.077 0.000 2.989 146 T HA 0.441 4.747 4.350 -0.073 0.000 0.250 146 T C 0.554 175.133 174.700 -0.201 0.000 0.981 146 T CA 0.756 62.806 62.100 -0.083 0.000 0.980 146 T CB 0.663 69.511 68.868 -0.033 0.000 1.133 146 T HN 0.277 nan 8.240 nan 0.000 0.489 147 Q N 1.004 120.625 119.800 -0.298 0.000 2.372 147 Q HA 0.496 4.792 4.340 -0.073 0.000 0.273 147 Q C -1.320 174.428 176.000 -0.420 0.000 1.078 147 Q CA -0.548 54.969 55.803 -0.477 0.000 0.806 147 Q CB 3.148 31.285 28.738 -1.001 0.000 1.332 147 Q HN 0.411 nan 8.270 nan 0.000 0.435 148 R N 2.135 122.372 120.500 -0.439 0.000 2.255 148 R HA 0.516 4.813 4.340 -0.073 0.000 0.326 148 R C -1.239 175.007 176.300 -0.091 0.000 0.986 148 R CA -0.575 55.330 56.100 -0.325 0.000 0.847 148 R CB 0.455 30.438 30.300 -0.527 0.000 1.111 148 R HN 0.422 nan 8.270 nan 0.000 0.452 149 L N 6.248 127.496 121.223 0.042 0.000 2.401 149 L HA 0.256 4.552 4.340 -0.073 0.000 0.263 149 L C -1.314 175.598 176.870 0.069 0.000 1.004 149 L CA -0.738 54.168 54.840 0.110 0.000 0.881 149 L CB 0.782 42.989 42.059 0.247 0.000 1.219 149 L HN 0.628 nan 8.230 nan 0.000 0.441 150 Y N 4.575 124.743 120.300 -0.219 0.000 2.944 150 Y HA 0.278 4.783 4.550 -0.074 0.000 0.340 150 Y C 0.132 175.843 175.900 -0.315 0.000 1.275 150 Y CA 1.082 58.809 58.100 -0.621 0.000 1.590 150 Y CB 0.303 38.495 38.460 -0.447 0.000 1.218 150 Y HN 0.811 nan 8.280 nan 0.000 0.576 151 A N 5.459 127.854 122.820 -0.707 0.000 2.555 151 A HA 0.291 4.567 4.320 -0.073 0.000 0.297 151 A C -0.088 177.412 177.584 -0.141 0.000 1.060 151 A CA -0.892 50.990 52.037 -0.258 0.000 0.710 151 A CB 0.872 19.874 19.000 0.002 0.000 1.282 151 A HN 0.742 nan 8.150 nan 0.000 0.399 152 N N 0.807 119.464 118.700 -0.073 0.000 2.244 152 N HA -0.097 4.600 4.740 -0.073 0.000 0.183 152 N C 1.649 177.226 175.510 0.111 0.000 1.016 152 N CA 1.846 54.924 53.050 0.046 0.000 0.866 152 N CB -0.044 38.521 38.487 0.130 0.000 0.980 152 N HN 0.597 nan 8.380 nan 0.000 0.430 153 S N 0.128 115.909 115.700 0.136 0.000 2.399 153 S HA -0.033 4.393 4.470 -0.073 0.000 0.231 153 S C 2.051 176.810 174.600 0.266 0.000 1.022 153 S CA 0.920 59.267 58.200 0.245 0.000 0.983 153 S CB -0.022 63.319 63.200 0.235 0.000 0.803 153 S HN 0.316 nan 8.310 nan 0.000 0.480 154 S N 1.426 117.232 115.700 0.177 0.000 2.315 154 S HA 0.182 4.609 4.470 -0.073 0.000 0.211 154 S C 1.814 176.492 174.600 0.130 0.000 1.029 154 S CA 0.436 58.726 58.200 0.151 0.000 0.956 154 S CB -0.485 62.801 63.200 0.143 0.000 0.918 154 S HN 0.438 nan 8.310 nan 0.000 0.470 155 I N 1.887 122.523 120.570 0.110 0.000 2.423 155 I HA -0.153 3.973 4.170 -0.073 0.000 0.254 155 I C 2.131 178.319 176.117 0.118 0.000 1.151 155 I CA 1.151 62.503 61.300 0.086 0.000 1.421 155 I CB -0.531 37.500 38.000 0.051 0.000 1.079 155 I HN 0.390 nan 8.210 nan 0.000 0.431 156 G N 0.788 109.634 108.800 0.076 0.000 2.418 156 G HA2 -0.281 3.636 3.960 -0.073 0.000 0.217 156 G HA3 -0.281 3.636 3.960 -0.073 0.000 0.217 156 G C 1.515 176.387 174.900 -0.047 0.000 1.158 156 G CA 0.782 45.873 45.100 -0.016 0.000 0.771 156 G HN 0.382 nan 8.290 nan 0.000 0.545 157 L N -0.248 120.997 121.223 0.036 0.000 2.109 157 L HA 0.197 4.494 4.340 -0.073 0.000 0.207 157 L C 2.399 179.235 176.870 -0.056 0.000 1.086 157 L CA 1.280 56.086 54.840 -0.056 0.000 0.760 157 L CB -0.729 41.259 42.059 -0.119 0.000 0.910 157 L HN 0.232 nan 8.230 nan 0.000 0.437 158 F N 0.419 120.312 119.950 -0.096 0.000 2.095 158 F HA -0.102 4.381 4.527 -0.073 0.000 0.298 158 F C 2.175 177.914 175.800 -0.102 0.000 1.104 158 F CA 1.853 59.794 58.000 -0.098 0.000 1.232 158 F CB -1.039 37.906 39.000 -0.092 0.000 0.987 158 F HN 0.111 nan 8.300 nan 0.000 0.475 159 G N -0.254 108.422 108.800 -0.207 0.000 2.446 159 G HA2 -0.243 3.673 3.960 -0.073 0.000 0.217 159 G HA3 -0.243 3.673 3.960 -0.073 0.000 0.217 159 G C 1.831 176.592 174.900 -0.232 0.000 1.168 159 G CA 1.017 45.975 45.100 -0.237 0.000 0.771 159 G HN 0.672 nan 8.290 nan 0.000 0.551 160 A N 0.490 123.127 122.820 -0.304 0.000 1.902 160 A HA 0.097 4.373 4.320 -0.073 0.000 0.217 160 A C 2.432 179.854 177.584 -0.270 0.000 1.181 160 A CA 1.360 53.236 52.037 -0.267 0.000 0.623 160 A CB -0.356 18.454 19.000 -0.317 0.000 0.818 160 A HN 0.366 nan 8.150 nan 0.000 0.443 161 L N -1.090 119.940 121.223 -0.323 0.000 2.179 161 L HA -0.058 4.238 4.340 -0.073 0.000 0.208 161 L C 2.996 179.609 176.870 -0.429 0.000 1.096 161 L CA 0.751 55.400 54.840 -0.318 0.000 0.779 161 L CB -0.593 41.327 42.059 -0.232 0.000 0.922 161 L HN 0.405 nan 8.230 nan 0.000 0.443 162 A N 0.506 122.987 122.820 -0.565 0.000 1.978 162 A HA -0.151 4.125 4.320 -0.073 0.000 0.220 162 A C 2.172 179.536 177.584 -0.366 0.000 1.170 162 A CA 1.951 53.621 52.037 -0.611 0.000 0.636 162 A CB -0.724 17.750 19.000 -0.875 0.000 0.810 162 A HN 0.349 nan 8.150 nan 0.000 0.448 163 V N -3.615 116.147 119.914 -0.254 0.000 3.608 163 V HA 0.114 4.190 4.120 -0.073 0.000 0.269 163 V C 1.876 177.883 176.094 -0.145 0.000 1.245 163 V CA 1.489 63.682 62.300 -0.180 0.000 1.138 163 V CB -0.455 31.288 31.823 -0.133 0.000 0.841 163 V HN 0.241 nan 8.190 nan 0.000 0.451 164 K N 1.980 122.287 120.400 -0.154 0.000 2.034 164 K HA -0.085 4.192 4.320 -0.073 0.000 0.214 164 K C 0.019 176.590 176.600 -0.049 0.000 1.051 164 K CA 2.596 58.826 56.287 -0.095 0.000 0.931 164 K CB -1.769 30.696 32.500 -0.057 0.000 0.715 164 K HN 0.464 nan 8.250 nan 0.000 0.446 165 P HA -0.095 nan 4.420 nan 0.000 0.217 165 P C 0.822 178.104 177.300 -0.030 0.000 1.148 165 P CA 1.380 64.479 63.100 -0.001 0.000 0.828 165 P CB 0.084 31.792 31.700 0.013 0.000 0.783 166 S N -1.813 113.851 115.700 -0.061 0.000 2.453 166 S HA 0.066 4.492 4.470 -0.073 0.000 0.231 166 S C 1.845 176.409 174.600 -0.061 0.000 1.005 166 S CA 1.195 59.355 58.200 -0.067 0.000 0.949 166 S CB -1.003 62.139 63.200 -0.095 0.000 0.774 166 S HN 0.369 nan 8.310 nan 0.000 0.510 167 G N 0.764 109.528 108.800 -0.060 0.000 2.212 167 G HA2 -0.262 3.654 3.960 -0.073 0.000 0.266 167 G HA3 -0.262 3.654 3.960 -0.073 0.000 0.266 167 G C 0.123 174.986 174.900 -0.063 0.000 0.978 167 G CA 0.386 45.454 45.100 -0.053 0.000 0.632 167 G HN 0.453 nan 8.290 nan 0.000 0.537 168 L N 1.159 122.335 121.223 -0.079 0.000 2.456 168 L HA 0.554 4.850 4.340 -0.073 0.000 0.257 168 L C 1.171 177.988 176.870 -0.088 0.000 1.162 168 L CA -0.613 54.173 54.840 -0.090 0.000 0.808 168 L CB 1.044 43.032 42.059 -0.119 0.000 1.136 168 L HN 0.147 nan 8.230 nan 0.000 0.466 169 S N -0.094 115.557 115.700 -0.080 0.000 2.624 169 S HA 0.107 4.533 4.470 -0.073 0.000 0.263 169 S C 0.640 175.204 174.600 -0.061 0.000 1.287 169 S CA -0.557 57.611 58.200 -0.052 0.000 0.990 169 S CB 0.681 63.859 63.200 -0.038 0.000 0.950 169 S HN 0.502 nan 8.310 nan 0.000 0.561 170 F N 1.577 121.437 119.950 -0.150 0.000 2.102 170 F HA -0.102 4.381 4.527 -0.073 0.000 0.298 170 F C 2.407 178.095 175.800 -0.186 0.000 1.105 170 F CA 2.048 59.943 58.000 -0.174 0.000 1.239 170 F CB -0.284 38.614 39.000 -0.171 0.000 0.991 170 F HN 0.846 nan 8.300 nan 0.000 0.474 171 E N -0.340 119.834 120.200 -0.044 0.000 2.077 171 E HA -0.330 3.976 4.350 -0.073 0.000 0.193 171 E C 2.200 178.652 176.600 -0.247 0.000 0.989 171 E CA 1.455 57.775 56.400 -0.134 0.000 0.800 171 E CB -0.276 29.421 29.700 -0.005 0.000 0.746 171 E HN 0.465 nan 8.360 nan 0.000 0.452 172 Q N 0.349 120.038 119.800 -0.185 0.000 2.079 172 Q HA -0.084 4.212 4.340 -0.073 0.000 0.200 172 Q C 1.869 177.709 176.000 -0.268 0.000 0.974 172 Q CA 1.893 57.585 55.803 -0.184 0.000 0.840 172 Q CB -0.395 28.271 28.738 -0.121 0.000 0.898 172 Q HN 0.370 nan 8.270 nan 0.000 0.430 173 A N -0.049 122.576 122.820 -0.325 0.000 1.877 173 A HA -0.192 4.084 4.320 -0.073 0.000 0.216 173 A C 2.076 179.365 177.584 -0.491 0.000 1.186 173 A CA 1.832 53.648 52.037 -0.368 0.000 0.620 173 A CB -0.669 18.098 19.000 -0.388 0.000 0.822 173 A HN 0.523 nan 8.150 nan 0.000 0.443 174 M N -0.130 119.039 119.600 -0.718 0.000 2.086 174 M HA -0.184 4.253 4.480 -0.073 0.000 0.261 174 M C 2.187 177.893 176.300 -0.989 0.000 1.067 174 M CA 1.968 56.710 55.300 -0.929 0.000 1.116 174 M CB -0.615 31.281 32.600 -1.174 0.000 1.348 174 M HN 0.527 nan 8.290 nan 0.000 0.407 175 Q N -1.000 118.342 119.800 -0.763 0.000 2.030 175 Q HA -0.189 4.107 4.340 -0.073 0.000 0.204 175 Q C 1.964 177.777 176.000 -0.313 0.000 0.986 175 Q CA 2.484 57.992 55.803 -0.492 0.000 0.843 175 Q CB -0.629 27.944 28.738 -0.275 0.000 0.904 175 Q HN 0.776 nan 8.270 nan 0.000 0.420 176 T N -1.795 112.599 114.554 -0.267 0.000 2.985 176 T HA -0.004 4.302 4.350 -0.073 0.000 0.266 176 T C 1.681 176.285 174.700 -0.161 0.000 1.076 176 T CA 0.610 62.603 62.100 -0.178 0.000 1.135 176 T CB 0.007 68.787 68.868 -0.147 0.000 0.890 176 T HN 0.162 nan 8.240 nan 0.000 0.480 177 R N -0.048 120.326 120.500 -0.210 0.000 2.282 177 R HA 0.392 4.688 4.340 -0.073 0.000 0.195 177 R C 1.479 177.713 176.300 -0.111 0.000 0.909 177 R CA 0.186 56.196 56.100 -0.150 0.000 1.039 177 R CB 0.403 30.606 30.300 -0.162 0.000 1.015 177 R HN 0.299 nan 8.270 nan 0.000 0.513 178 V N -0.902 118.907 119.914 -0.175 0.000 3.264 178 V HA 0.025 4.101 4.120 -0.073 0.000 0.217 178 V C 1.424 177.584 176.094 0.111 0.000 1.236 178 V CA 0.380 62.663 62.300 -0.029 0.000 1.287 178 V CB -0.414 31.361 31.823 -0.080 0.000 1.241 178 V HN -0.053 nan 8.190 nan 0.000 0.518 179 F N 1.612 121.489 119.950 -0.122 0.000 2.043 179 F HA -0.223 4.260 4.527 -0.073 0.000 0.297 179 F C 2.661 178.378 175.800 -0.139 0.000 1.121 179 F CA 1.807 59.700 58.000 -0.179 0.000 1.199 179 F CB -1.407 37.380 39.000 -0.356 0.000 0.968 179 F HN 0.197 nan 8.300 nan 0.000 0.478 180 Q N -0.222 119.604 119.800 0.042 0.000 2.061 180 Q HA -0.181 4.115 4.340 -0.073 0.000 0.204 180 Q C -0.310 175.690 176.000 0.000 0.000 0.984 180 Q CA 2.082 57.873 55.803 -0.022 0.000 0.846 180 Q CB -1.534 27.167 28.738 -0.063 0.000 0.902 180 Q HN 0.284 nan 8.270 nan 0.000 0.421 181 P HA -0.128 nan 4.420 nan 0.000 0.222 181 P C 0.526 177.854 177.300 0.047 0.000 1.147 181 P CA 1.149 64.260 63.100 0.020 0.000 0.790 181 P CB 0.107 31.818 31.700 0.018 0.000 0.780 182 L N -1.580 119.696 121.223 0.090 0.000 2.607 182 L HA 0.180 4.476 4.340 -0.073 0.000 0.228 182 L C 0.281 177.201 176.870 0.083 0.000 1.123 182 L CA -0.024 54.885 54.840 0.116 0.000 0.890 182 L CB -0.304 41.892 42.059 0.229 0.000 1.103 182 L HN -0.117 nan 8.230 nan 0.000 0.468 183 K N 0.431 120.855 120.400 0.041 0.000 3.192 183 K HA -0.149 4.127 4.320 -0.073 0.000 0.278 183 K C -0.194 176.400 176.600 -0.010 0.000 1.164 183 K CA 0.643 56.933 56.287 0.005 0.000 0.816 183 K CB -2.266 30.242 32.500 0.015 0.000 1.256 183 K HN 0.350 nan 8.250 nan 0.000 0.497 184 L N 1.533 122.740 121.223 -0.026 0.000 2.399 184 L HA 0.146 4.442 4.340 -0.073 0.000 0.257 184 L C 1.107 177.819 176.870 -0.263 0.000 1.236 184 L CA -0.375 54.400 54.840 -0.109 0.000 1.144 184 L CB -0.051 41.913 42.059 -0.157 0.000 1.379 184 L HN 0.048 nan 8.230 nan 0.000 0.414 185 N N 0.335 118.892 118.700 -0.239 0.000 2.521 185 N HA -0.037 4.659 4.740 -0.073 0.000 0.188 185 N C 0.621 175.741 175.510 -0.651 0.000 1.146 185 N CA 0.635 53.435 53.050 -0.416 0.000 0.893 185 N CB 0.197 38.462 38.487 -0.369 0.000 0.975 185 N HN 0.526 nan 8.380 nan 0.000 0.451 186 H N -0.861 118.108 119.070 -0.169 0.000 2.637 186 H HA 0.236 4.748 4.556 -0.073 0.000 0.245 186 H C -0.346 174.877 175.328 -0.175 0.000 1.190 186 H CA -0.117 55.906 56.048 -0.043 0.000 0.934 186 H CB 0.465 30.235 29.762 0.014 0.000 1.950 186 H HN -0.120 nan 8.280 nan 0.000 0.614 187 T N 1.026 115.264 114.554 -0.527 0.000 2.786 187 T HA 0.322 4.628 4.350 -0.073 0.000 0.283 187 T C -0.652 173.401 174.700 -1.078 0.000 0.992 187 T CA -0.442 61.182 62.100 -0.793 0.000 0.954 187 T CB 1.236 69.357 68.868 -1.245 0.000 0.934 187 T HN 0.202 nan 8.240 nan 0.000 0.440 188 W N 1.843 122.838 121.300 -0.509 0.000 3.032 188 W HA 0.574 5.192 4.660 -0.070 0.000 0.335 188 W C 0.664 177.042 176.519 -0.235 0.000 1.154 188 W CA -0.840 56.324 57.345 -0.302 0.000 1.204 188 W CB 1.107 30.418 29.460 -0.249 0.000 1.416 188 W HN 0.491 nan 8.180 nan 0.000 0.521 189 I N 1.259 121.929 120.570 0.167 0.000 2.628 189 I HA -0.003 4.123 4.170 -0.073 0.000 0.255 189 I C -0.081 176.062 176.117 0.043 0.000 1.119 189 I CA 0.712 62.057 61.300 0.075 0.000 1.448 189 I CB -0.015 38.048 38.000 0.105 0.000 1.133 189 I HN 0.346 nan 8.210 nan 0.000 0.438 190 N N 0.218 118.985 118.700 0.113 0.000 2.483 190 N HA 0.272 4.968 4.740 -0.073 0.000 0.267 190 N C -0.900 174.566 175.510 -0.073 0.000 0.998 190 N CA -0.300 52.758 53.050 0.013 0.000 0.918 190 N CB 2.213 40.712 38.487 0.020 0.000 1.215 190 N HN -0.209 nan 8.380 nan 0.000 0.500 191 V N 4.319 124.099 119.914 -0.224 0.000 2.450 191 V HA 0.142 4.218 4.120 -0.073 0.000 0.281 191 V C -1.422 174.393 176.094 -0.465 0.000 1.019 191 V CA -0.960 61.076 62.300 -0.440 0.000 1.062 191 V CB -0.335 31.192 31.823 -0.494 0.000 0.979 191 V HN 0.601 nan 8.190 nan 0.000 0.477 192 P HA 0.236 nan 4.420 nan 0.000 0.274 192 P C -2.289 174.790 177.300 -0.368 0.000 1.237 192 P CA -1.715 61.037 63.100 -0.579 0.000 0.793 192 P CB 0.681 31.858 31.700 -0.872 0.000 0.977 193 P HA -0.223 nan 4.420 nan 0.000 0.216 193 P C 1.463 178.685 177.300 -0.130 0.000 1.157 193 P CA 2.393 65.409 63.100 -0.141 0.000 0.880 193 P CB -0.494 31.145 31.700 -0.102 0.000 0.791 194 A N -0.668 122.062 122.820 -0.151 0.000 2.178 194 A HA -0.162 4.114 4.320 -0.073 0.000 0.218 194 A C 1.861 179.385 177.584 -0.099 0.000 1.157 194 A CA 1.393 53.368 52.037 -0.104 0.000 0.689 194 A CB -0.669 18.277 19.000 -0.089 0.000 0.787 194 A HN 0.146 nan 8.150 nan 0.000 0.465 195 E N -0.885 119.214 120.200 -0.168 0.000 2.526 195 E HA 0.032 4.338 4.350 -0.073 0.000 0.208 195 E C 0.972 177.515 176.600 -0.095 0.000 0.997 195 E CA -0.021 56.299 56.400 -0.134 0.000 0.961 195 E CB 0.180 29.741 29.700 -0.233 0.000 1.030 195 E HN 0.744 nan 8.360 nan 0.000 0.483 196 E N 1.356 121.510 120.200 -0.077 0.000 2.153 196 E HA -0.185 4.121 4.350 -0.073 0.000 0.194 196 E C 1.905 178.519 176.600 0.025 0.000 0.988 196 E CA 1.057 57.455 56.400 -0.003 0.000 0.811 196 E CB -0.069 29.626 29.700 -0.008 0.000 0.746 196 E HN 0.200 nan 8.360 nan 0.000 0.466 197 K N 0.411 120.818 120.400 0.012 0.000 2.442 197 K HA -0.076 4.201 4.320 -0.073 0.000 0.198 197 K C 0.977 177.599 176.600 0.036 0.000 1.042 197 K CA 1.387 57.692 56.287 0.029 0.000 0.958 197 K CB -0.055 32.459 32.500 0.023 0.000 0.766 197 K HN 0.073 nan 8.250 nan 0.000 0.474 198 N N -0.454 118.263 118.700 0.029 0.000 2.220 198 N HA -0.001 4.696 4.740 -0.073 0.000 0.195 198 N C -0.781 174.764 175.510 0.058 0.000 1.123 198 N CA -0.421 52.646 53.050 0.029 0.000 0.874 198 N CB 0.303 38.792 38.487 0.003 0.000 0.995 198 N HN 0.175 nan 8.380 nan 0.000 0.498 199 Y N 2.551 122.776 120.300 -0.126 0.000 2.584 199 Y HA 0.285 4.799 4.550 -0.059 0.000 0.351 199 Y C 0.251 176.045 175.900 -0.175 0.000 1.030 199 Y CA -1.266 56.719 58.100 -0.190 0.000 1.332 199 Y CB 0.207 38.500 38.460 -0.278 0.000 1.148 199 Y HN -0.011 nan 8.280 nan 0.000 0.528 200 A N 6.288 129.208 122.820 0.166 0.000 2.386 200 A HA 0.108 4.385 4.320 -0.073 0.000 0.248 200 A C -1.174 176.467 177.584 0.095 0.000 1.082 200 A CA -0.363 51.716 52.037 0.069 0.000 0.789 200 A CB 0.324 19.300 19.000 -0.040 0.000 1.025 200 A HN 0.927 nan 8.150 nan 0.000 0.490 201 W N 0.496 121.825 121.300 0.049 0.000 2.313 201 W HA 0.500 5.144 4.660 -0.028 0.000 0.328 201 W C 0.831 177.092 176.519 -0.431 0.000 1.197 201 W CA 0.399 57.593 57.345 -0.252 0.000 1.235 201 W CB 1.269 30.409 29.460 -0.534 0.000 1.158 201 W HN 0.917 nan 8.180 nan 0.000 0.578 202 G N 1.114 109.763 108.800 -0.251 0.000 2.437 202 G HA2 0.560 4.476 3.960 -0.073 0.000 0.319 202 G HA3 0.560 4.476 3.960 -0.073 0.000 0.319 202 G C -2.178 172.362 174.900 -0.601 0.000 1.158 202 G CA -0.506 44.177 45.100 -0.694 0.000 0.899 202 G HN 0.415 nan 8.290 nan 0.000 0.502 203 Y N -0.235 119.982 120.300 -0.139 0.000 2.361 203 Y HA 0.583 5.091 4.550 -0.070 0.000 0.337 203 Y C 0.424 176.317 175.900 -0.012 0.000 0.965 203 Y CA -0.837 57.236 58.100 -0.045 0.000 1.091 203 Y CB 2.420 40.860 38.460 -0.033 0.000 1.182 203 Y HN 0.475 nan 8.280 nan 0.000 0.450 204 R N 2.293 122.865 120.500 0.119 0.000 2.500 204 R HA 0.511 4.807 4.340 -0.073 0.000 0.299 204 R C -0.177 176.169 176.300 0.078 0.000 1.038 204 R CA 0.507 56.661 56.100 0.090 0.000 0.903 204 R CB 1.092 31.430 30.300 0.064 0.000 1.177 204 R HN 0.926 nan 8.270 nan 0.000 0.455 205 E N 1.966 122.209 120.200 0.073 0.000 2.389 205 E HA -0.216 4.090 4.350 -0.073 0.000 0.243 205 E C 0.765 177.399 176.600 0.057 0.000 1.154 205 E CA 1.524 57.955 56.400 0.051 0.000 0.723 205 E CB -2.443 27.278 29.700 0.035 0.000 1.261 205 E HN 1.531 nan 8.360 nan 0.000 0.390 206 G N -2.753 106.101 108.800 0.091 0.000 2.377 206 G HA2 0.082 3.998 3.960 -0.073 0.000 0.250 206 G HA3 0.082 3.998 3.960 -0.073 0.000 0.250 206 G C 1.067 176.072 174.900 0.175 0.000 1.039 206 G CA 1.839 47.001 45.100 0.103 0.000 0.625 206 G HN 2.274 nan 8.290 nan 0.000 0.526 207 K N 0.391 120.848 120.400 0.095 0.000 2.298 207 K HA 0.858 5.134 4.320 -0.073 0.000 0.280 207 K C 0.471 177.024 176.600 -0.079 0.000 1.032 207 K CA 0.689 56.982 56.287 0.009 0.000 0.958 207 K CB 0.763 33.242 32.500 -0.034 0.000 0.978 207 K HN 1.973 nan 8.250 nan 0.000 0.472 208 A N 1.373 124.023 122.820 -0.283 0.000 2.409 208 A HA 0.566 4.842 4.320 -0.073 0.000 0.267 208 A C 0.284 177.661 177.584 -0.346 0.000 1.127 208 A CA 0.206 51.864 52.037 -0.632 0.000 0.795 208 A CB -0.457 17.967 19.000 -0.960 0.000 1.061 208 A HN 1.864 nan 8.150 nan 0.000 0.502 209 V N 0.863 120.689 119.914 -0.145 0.000 3.049 209 V HA 0.681 4.758 4.120 -0.073 0.000 0.309 209 V C -0.735 175.495 176.094 0.226 0.000 1.148 209 V CA -0.821 61.520 62.300 0.069 0.000 0.990 209 V CB 1.305 33.161 31.823 0.054 0.000 1.039 209 V HN 0.964 nan 8.190 nan 0.000 0.430 210 H N 0.445 119.648 119.070 0.222 0.000 2.679 210 H HA 0.681 5.202 4.556 -0.059 0.000 0.367 210 H C -0.518 174.911 175.328 0.169 0.000 1.162 210 H CA -0.942 55.191 56.048 0.142 0.000 1.181 210 H CB 2.323 32.043 29.762 -0.070 0.000 1.693 210 H HN 0.817 nan 8.280 nan 0.000 0.538 211 V N 2.503 122.608 119.914 0.318 0.000 2.673 211 V HA -0.004 4.072 4.120 -0.073 0.000 0.303 211 V C -0.179 176.039 176.094 0.206 0.000 1.046 211 V CA 0.352 62.795 62.300 0.239 0.000 1.126 211 V CB 0.764 32.733 31.823 0.242 0.000 0.934 211 V HN 0.737 nan 8.190 nan 0.000 0.487 212 S N 7.171 122.976 115.700 0.175 0.000 2.610 212 S HA 0.509 4.936 4.470 -0.073 0.000 0.273 212 S C -2.272 172.424 174.600 0.160 0.000 1.274 212 S CA -0.676 57.612 58.200 0.146 0.000 1.023 212 S CB 1.168 64.433 63.200 0.108 0.000 0.962 212 S HN 0.841 nan 8.310 nan 0.000 0.523 213 P HA 0.473 nan 4.420 nan 0.000 0.269 213 P C -0.212 177.148 177.300 0.099 0.000 1.215 213 P CA -0.075 63.078 63.100 0.090 0.000 0.780 213 P CB 0.437 32.169 31.700 0.054 0.000 0.898 214 G N -0.211 108.636 108.800 0.079 0.000 2.632 214 G HA2 0.521 4.437 3.960 -0.073 0.000 0.292 214 G HA3 0.521 4.437 3.960 -0.073 0.000 0.292 214 G C -1.380 173.528 174.900 0.013 0.000 1.465 214 G CA -0.385 44.762 45.100 0.079 0.000 0.824 214 G HN 0.520 nan 8.290 nan 0.000 0.509 215 A N 0.681 123.497 122.820 -0.007 0.000 2.546 215 A HA 0.518 4.795 4.320 -0.073 0.000 0.243 215 A C 1.490 179.040 177.584 -0.057 0.000 1.063 215 A CA 0.822 52.837 52.037 -0.036 0.000 0.757 215 A CB -0.460 18.515 19.000 -0.042 0.000 0.991 215 A HN 1.820 nan 8.150 nan 0.000 0.503 216 L N 0.458 121.614 121.223 -0.112 0.000 4.232 216 L HA -0.329 3.967 4.340 -0.073 0.000 0.415 216 L C 1.171 177.851 176.870 -0.318 0.000 1.168 216 L CA 0.707 55.434 54.840 -0.189 0.000 0.966 216 L CB -1.838 40.166 42.059 -0.092 0.000 2.052 216 L HN 0.998 nan 8.230 nan 0.000 0.887 217 D N 0.204 120.378 120.400 -0.375 0.000 2.117 217 D HA -0.135 4.461 4.640 -0.073 0.000 0.197 217 D C 1.987 177.862 176.300 -0.709 0.000 0.987 217 D CA 1.404 54.914 54.000 -0.817 0.000 0.829 217 D CB -0.136 40.337 40.800 -0.545 0.000 0.961 217 D HN 0.436 nan 8.370 nan 0.000 0.460 218 A N 0.855 123.427 122.820 -0.412 0.000 1.892 218 A HA -0.251 4.026 4.320 -0.073 0.000 0.218 218 A C 2.096 179.458 177.584 -0.370 0.000 1.188 218 A CA 2.095 53.963 52.037 -0.281 0.000 0.631 218 A CB -0.746 18.168 19.000 -0.144 0.000 0.822 218 A HN 0.234 nan 8.150 nan 0.000 0.447 219 E N -0.520 119.278 120.200 -0.670 0.000 2.274 219 E HA 0.175 4.481 4.350 -0.073 0.000 0.194 219 E C 1.843 178.274 176.600 -0.283 0.000 0.996 219 E CA 1.089 57.038 56.400 -0.752 0.000 0.840 219 E CB -0.194 28.976 29.700 -0.884 0.000 0.772 219 E HN 0.609 nan 8.360 nan 0.000 0.491 220 A N -0.394 122.262 122.820 -0.274 0.000 2.055 220 A HA 0.132 4.409 4.320 -0.073 0.000 0.205 220 A C 0.699 178.335 177.584 0.086 0.000 1.235 220 A CA 0.461 52.463 52.037 -0.059 0.000 0.822 220 A CB 0.066 19.095 19.000 0.049 0.000 0.903 220 A HN 0.378 nan 8.150 nan 0.000 0.473 221 Y N -4.146 116.169 120.300 0.025 0.000 3.075 221 Y HA 0.455 4.960 4.550 -0.075 0.000 0.270 221 Y C 0.806 176.723 175.900 0.029 0.000 1.071 221 Y CA -0.502 57.629 58.100 0.052 0.000 1.269 221 Y CB -0.460 38.039 38.460 0.066 0.000 1.291 221 Y HN -0.007 nan 8.280 nan 0.000 0.613 222 G N 0.751 109.445 108.800 -0.178 0.000 3.189 222 G HA2 0.339 4.255 3.960 -0.073 0.000 0.225 222 G HA3 0.339 4.255 3.960 -0.073 0.000 0.225 222 G C -0.137 174.725 174.900 -0.064 0.000 1.159 222 G CA 0.119 45.150 45.100 -0.115 0.000 0.763 222 G HN 0.127 nan 8.290 nan 0.000 0.549 223 V N 0.461 120.342 119.914 -0.055 0.000 2.583 223 V HA 0.407 4.483 4.120 -0.073 0.000 0.287 223 V C -0.179 175.814 176.094 -0.169 0.000 1.051 223 V CA -0.341 61.873 62.300 -0.144 0.000 1.010 223 V CB 1.424 33.094 31.823 -0.256 0.000 0.988 223 V HN 0.062 nan 8.190 nan 0.000 0.478 224 K N 2.393 122.648 120.400 -0.242 0.000 2.345 224 K HA 0.785 5.061 4.320 -0.073 0.000 0.255 224 K C -0.730 175.730 176.600 -0.233 0.000 0.934 224 K CA -0.137 55.995 56.287 -0.259 0.000 0.801 224 K CB 2.104 34.351 32.500 -0.422 0.000 1.137 224 K HN 0.808 nan 8.250 nan 0.000 0.424 225 S N -0.444 115.190 115.700 -0.109 0.000 2.671 225 S HA 0.560 4.986 4.470 -0.073 0.000 0.277 225 S C -0.980 173.696 174.600 0.126 0.000 1.165 225 S CA -1.003 57.163 58.200 -0.056 0.000 0.822 225 S CB 1.545 64.686 63.200 -0.097 0.000 1.150 225 S HN 0.700 nan 8.310 nan 0.000 0.479 226 T N -1.378 113.252 114.554 0.127 0.000 2.936 226 T HA 0.581 4.888 4.350 -0.073 0.000 0.282 226 T C 0.996 175.814 174.700 0.197 0.000 1.003 226 T CA -0.556 61.664 62.100 0.200 0.000 1.005 226 T CB 0.590 69.521 68.868 0.106 0.000 1.097 226 T HN 0.327 nan 8.240 nan 0.000 0.532 227 I N 1.164 121.863 120.570 0.215 0.000 2.394 227 I HA -0.041 4.085 4.170 -0.073 0.000 0.251 227 I C 2.490 178.783 176.117 0.294 0.000 1.136 227 I CA 1.579 63.019 61.300 0.234 0.000 1.425 227 I CB -0.596 37.567 38.000 0.271 0.000 1.079 227 I HN 0.936 nan 8.210 nan 0.000 0.425 228 E N -0.833 119.457 120.200 0.151 0.000 2.112 228 E HA -0.206 4.101 4.350 -0.073 0.000 0.190 228 E C 1.444 178.159 176.600 0.192 0.000 0.979 228 E CA 1.257 57.750 56.400 0.155 0.000 0.814 228 E CB -0.456 29.160 29.700 -0.141 0.000 0.762 228 E HN 0.357 nan 8.360 nan 0.000 0.460 229 D N 0.557 121.045 120.400 0.147 0.000 2.117 229 D HA -0.097 4.499 4.640 -0.073 0.000 0.198 229 D C 1.900 178.330 176.300 0.217 0.000 0.982 229 D CA 1.119 55.201 54.000 0.137 0.000 0.828 229 D CB -0.040 40.789 40.800 0.049 0.000 0.967 229 D HN 0.182 nan 8.370 nan 0.000 0.464 230 M N 0.251 119.994 119.600 0.238 0.000 2.229 230 M HA 0.021 4.457 4.480 -0.073 0.000 0.264 230 M C 2.192 178.674 176.300 0.304 0.000 1.063 230 M CA 0.638 56.129 55.300 0.318 0.000 1.114 230 M CB -1.036 31.728 32.600 0.274 0.000 1.387 230 M HN -0.024 nan 8.290 nan 0.000 0.420 231 A N -0.222 122.748 122.820 0.251 0.000 1.930 231 A HA -0.150 4.126 4.320 -0.073 0.000 0.217 231 A C 2.375 180.030 177.584 0.117 0.000 1.175 231 A CA 1.288 53.421 52.037 0.160 0.000 0.627 231 A CB -0.486 18.618 19.000 0.174 0.000 0.815 231 A HN 0.264 nan 8.150 nan 0.000 0.443 232 R N -0.802 119.802 120.500 0.174 0.000 2.081 232 R HA -0.153 4.143 4.340 -0.073 0.000 0.235 232 R C 2.060 178.465 176.300 0.175 0.000 1.131 232 R CA 1.387 57.572 56.100 0.141 0.000 0.960 232 R CB -0.870 29.525 30.300 0.159 0.000 0.856 232 R HN 0.861 nan 8.270 nan 0.000 0.436 233 W N 0.825 122.150 121.300 0.042 0.000 2.338 233 W HA -0.198 4.419 4.660 -0.071 0.000 0.304 233 W C 1.562 178.023 176.519 -0.096 0.000 1.212 233 W CA 1.301 58.661 57.345 0.025 0.000 1.264 233 W CB 0.048 29.568 29.460 0.100 0.000 1.142 233 W HN -0.114 nan 8.180 nan 0.000 0.512 234 V N 1.207 121.052 119.914 -0.114 0.000 2.343 234 V HA -0.336 3.740 4.120 -0.073 0.000 0.247 234 V C 2.373 178.130 176.094 -0.562 0.000 1.051 234 V CA 2.241 64.269 62.300 -0.453 0.000 1.036 234 V CB -1.061 30.625 31.823 -0.228 0.000 0.654 234 V HN 0.234 nan 8.190 nan 0.000 0.451 235 Q N -0.228 119.390 119.800 -0.303 0.000 2.096 235 Q HA -0.185 4.111 4.340 -0.073 0.000 0.204 235 Q C 2.515 178.325 176.000 -0.316 0.000 0.982 235 Q CA 2.026 57.665 55.803 -0.272 0.000 0.850 235 Q CB -0.237 28.414 28.738 -0.144 0.000 0.901 235 Q HN 0.615 nan 8.270 nan 0.000 0.422 236 S N 0.813 116.339 115.700 -0.290 0.000 2.368 236 S HA -0.102 4.324 4.470 -0.073 0.000 0.225 236 S C 1.525 175.862 174.600 -0.439 0.000 1.030 236 S CA 1.040 59.073 58.200 -0.277 0.000 0.999 236 S CB -0.214 62.885 63.200 -0.167 0.000 0.844 236 S HN 0.391 nan 8.310 nan 0.000 0.459 237 N N 1.157 119.423 118.700 -0.723 0.000 2.354 237 N HA 0.104 4.800 4.740 -0.073 0.000 0.179 237 N C 1.642 176.651 175.510 -0.835 0.000 1.021 237 N CA 0.483 53.017 53.050 -0.860 0.000 0.887 237 N CB -0.193 37.537 38.487 -1.261 0.000 0.974 237 N HN 0.327 nan 8.380 nan 0.000 0.437 238 L N 0.802 121.512 121.223 -0.855 0.000 2.046 238 L HA -0.113 4.183 4.340 -0.073 0.000 0.208 238 L C 0.408 177.088 176.870 -0.316 0.000 1.077 238 L CA 1.212 55.709 54.840 -0.572 0.000 0.747 238 L CB 0.035 41.816 42.059 -0.464 0.000 0.896 238 L HN 0.194 nan 8.230 nan 0.000 0.432 239 K N -1.420 118.810 120.400 -0.283 0.000 2.764 239 K HA 0.255 4.531 4.320 -0.073 0.000 0.239 239 K C -2.432 174.068 176.600 -0.167 0.000 1.048 239 K CA -1.249 54.924 56.287 -0.189 0.000 1.057 239 K CB 1.220 33.628 32.500 -0.153 0.000 1.251 239 K HN -0.242 nan 8.250 nan 0.000 0.524 240 P HA -0.112 nan 4.420 nan 0.000 0.226 240 P C 0.903 178.155 177.300 -0.081 0.000 1.153 240 P CA 0.537 63.566 63.100 -0.119 0.000 0.777 240 P CB 0.281 31.916 31.700 -0.108 0.000 0.794 241 L N -0.284 120.892 121.223 -0.078 0.000 2.549 241 L HA -0.071 4.225 4.340 -0.073 0.000 0.229 241 L C 1.310 178.147 176.870 -0.054 0.000 1.158 241 L CA 1.019 55.824 54.840 -0.059 0.000 0.842 241 L CB -0.649 41.375 42.059 -0.057 0.000 0.952 241 L HN -0.094 nan 8.230 nan 0.000 0.452 242 D N -0.349 120.013 120.400 -0.064 0.000 2.349 242 D HA 0.211 4.807 4.640 -0.073 0.000 0.214 242 D C 0.617 176.892 176.300 -0.043 0.000 1.063 242 D CA 0.289 54.256 54.000 -0.055 0.000 0.847 242 D CB 0.390 41.151 40.800 -0.065 0.000 0.933 242 D HN 0.197 nan 8.370 nan 0.000 0.513 243 I N 1.569 122.114 120.570 -0.042 0.000 2.371 243 I HA 0.074 4.201 4.170 -0.073 0.000 0.290 243 I C 1.337 177.443 176.117 -0.019 0.000 1.028 243 I CA -0.456 60.828 61.300 -0.026 0.000 1.345 243 I CB 1.073 39.060 38.000 -0.022 0.000 1.407 243 I HN -0.222 nan 8.210 nan 0.000 0.501 244 N N 4.003 122.695 118.700 -0.013 0.000 2.142 244 N HA -0.103 4.594 4.740 -0.073 0.000 0.186 244 N C 0.209 175.714 175.510 -0.009 0.000 1.023 244 N CA 0.980 54.023 53.050 -0.012 0.000 0.852 244 N CB -0.053 38.428 38.487 -0.011 0.000 0.998 244 N HN 0.562 nan 8.380 nan 0.000 0.424 245 E N 1.491 121.687 120.200 -0.005 0.000 2.292 245 E HA 0.025 4.331 4.350 -0.073 0.000 0.265 245 E C 0.780 177.378 176.600 -0.003 0.000 1.093 245 E CA 0.061 56.459 56.400 -0.004 0.000 0.922 245 E CB 0.740 30.439 29.700 -0.001 0.000 1.001 245 E HN -0.013 nan 8.360 nan 0.000 0.444 246 K N 1.158 121.555 120.400 -0.005 0.000 2.020 246 K HA -0.191 4.085 4.320 -0.073 0.000 0.212 246 K C 2.007 178.608 176.600 0.002 0.000 1.050 246 K CA 2.132 58.417 56.287 -0.003 0.000 0.929 246 K CB -0.704 31.794 32.500 -0.004 0.000 0.714 246 K HN 0.692 nan 8.250 nan 0.000 0.443 247 T N -0.701 113.855 114.554 0.003 0.000 2.915 247 T HA -0.100 4.207 4.350 -0.073 0.000 0.269 247 T C 1.731 176.442 174.700 0.018 0.000 1.071 247 T CA 1.031 63.136 62.100 0.009 0.000 1.132 247 T CB -0.251 68.617 68.868 0.002 0.000 0.878 247 T HN 0.064 nan 8.240 nan 0.000 0.479 248 L N 0.919 122.152 121.223 0.018 0.000 2.131 248 L HA 0.180 4.477 4.340 -0.073 0.000 0.206 248 L C 2.735 179.623 176.870 0.030 0.000 1.087 248 L CA 1.567 56.429 54.840 0.036 0.000 0.767 248 L CB -0.979 41.105 42.059 0.041 0.000 0.917 248 L HN 0.344 nan 8.230 nan 0.000 0.441 249 Q N -0.885 118.921 119.800 0.011 0.000 2.050 249 Q HA -0.262 4.035 4.340 -0.073 0.000 0.202 249 Q C 2.128 178.129 176.000 0.002 0.000 0.980 249 Q CA 2.138 57.937 55.803 -0.005 0.000 0.840 249 Q CB -0.083 28.647 28.738 -0.013 0.000 0.898 249 Q HN 0.665 nan 8.270 nan 0.000 0.424 250 Q N -0.896 118.912 119.800 0.014 0.000 2.123 250 Q HA -0.073 4.224 4.340 -0.073 0.000 0.199 250 Q C 2.037 178.066 176.000 0.048 0.000 0.966 250 Q CA 1.037 56.854 55.803 0.024 0.000 0.845 250 Q CB -0.137 28.616 28.738 0.025 0.000 0.907 250 Q HN 0.538 nan 8.270 nan 0.000 0.439 251 G N 1.050 109.885 108.800 0.058 0.000 2.432 251 G HA2 -0.207 3.710 3.960 -0.073 0.000 0.219 251 G HA3 -0.207 3.710 3.960 -0.073 0.000 0.219 251 G C 1.407 176.376 174.900 0.116 0.000 1.135 251 G CA 0.481 45.636 45.100 0.092 0.000 0.767 251 G HN 0.209 nan 8.290 nan 0.000 0.550 252 I N -0.106 120.511 120.570 0.079 0.000 2.286 252 I HA -0.144 3.982 4.170 -0.073 0.000 0.245 252 I C 2.939 179.089 176.117 0.054 0.000 1.104 252 I CA 0.933 62.270 61.300 0.061 0.000 1.397 252 I CB -0.202 37.775 38.000 -0.040 0.000 1.072 252 I HN 0.202 nan 8.210 nan 0.000 0.417 253 Q N 0.440 120.257 119.800 0.028 0.000 2.167 253 Q HA -0.124 4.172 4.340 -0.073 0.000 0.202 253 Q C 2.324 178.359 176.000 0.059 0.000 0.970 253 Q CA 1.178 56.991 55.803 0.017 0.000 0.855 253 Q CB 0.040 28.776 28.738 -0.004 0.000 0.911 253 Q HN 0.534 nan 8.270 nan 0.000 0.438 254 L N -0.359 120.926 121.223 0.104 0.000 2.109 254 L HA -0.072 4.224 4.340 -0.073 0.000 0.207 254 L C 2.323 179.348 176.870 0.258 0.000 1.086 254 L CA 0.690 55.629 54.840 0.165 0.000 0.760 254 L CB -0.410 41.755 42.059 0.177 0.000 0.910 254 L HN 0.180 nan 8.230 nan 0.000 0.437 255 A N -0.751 122.222 122.820 0.255 0.000 2.121 255 A HA -0.163 4.114 4.320 -0.073 0.000 0.218 255 A C 1.996 179.812 177.584 0.387 0.000 1.154 255 A CA 1.093 53.337 52.037 0.346 0.000 0.679 255 A CB -0.219 19.020 19.000 0.399 0.000 0.795 255 A HN 0.494 nan 8.150 nan 0.000 0.458 256 Q N -0.067 119.873 119.800 0.233 0.000 2.247 256 Q HA 0.187 4.483 4.340 -0.073 0.000 0.204 256 Q C -0.177 175.855 176.000 0.053 0.000 0.872 256 Q CA -0.302 55.582 55.803 0.135 0.000 0.951 256 Q CB 0.506 29.242 28.738 -0.005 0.000 1.099 256 Q HN 0.499 nan 8.270 nan 0.000 0.501 257 S N 1.009 116.725 115.700 0.028 0.000 2.585 257 S HA 0.242 4.668 4.470 -0.073 0.000 0.273 257 S C 0.075 174.518 174.600 -0.262 0.000 1.339 257 S CA -0.248 57.832 58.200 -0.199 0.000 1.028 257 S CB 0.637 63.601 63.200 -0.393 0.000 0.906 257 S HN 0.226 nan 8.310 nan 0.000 0.528 258 R N 1.483 121.808 120.500 -0.291 0.000 2.204 258 R HA 0.225 4.521 4.340 -0.073 0.000 0.341 258 R C -0.402 175.813 176.300 -0.142 0.000 1.035 258 R CA -0.114 55.920 56.100 -0.109 0.000 0.887 258 R CB 0.265 30.476 30.300 -0.147 0.000 1.114 258 R HN 0.692 nan 8.270 nan 0.000 0.473 259 Y N 0.692 121.114 120.300 0.202 0.000 2.503 259 Y HA 0.083 4.589 4.550 -0.073 0.000 0.278 259 Y C 0.382 176.493 175.900 0.351 0.000 1.111 259 Y CA 0.016 58.245 58.100 0.214 0.000 1.270 259 Y CB 0.481 39.039 38.460 0.163 0.000 1.063 259 Y HN 0.575 nan 8.280 nan 0.000 0.548 260 W N 0.400 121.872 121.300 0.286 0.000 3.213 260 W HA 0.492 5.108 4.660 -0.073 0.000 0.318 260 W C -1.932 174.689 176.519 0.171 0.000 1.248 260 W CA -1.407 56.063 57.345 0.208 0.000 1.187 260 W CB 1.054 30.622 29.460 0.180 0.000 1.403 260 W HN -0.284 nan 8.180 nan 0.000 0.556 261 Q N 2.873 121.790 119.800 -1.471 0.000 2.347 261 Q HA 0.602 4.898 4.340 -0.073 0.000 0.271 261 Q C -1.650 173.340 176.000 -1.685 0.000 1.064 261 Q CA -0.541 54.435 55.803 -1.379 0.000 0.800 261 Q CB 2.404 30.699 28.738 -0.738 0.000 1.304 261 Q HN 0.480 nan 8.270 nan 0.000 0.438 262 T N 2.519 116.258 114.554 -1.357 0.000 3.066 262 T HA 0.604 4.910 4.350 -0.073 0.000 0.318 262 T C 0.305 174.750 174.700 -0.425 0.000 0.979 262 T CA 0.739 62.417 62.100 -0.703 0.000 1.025 262 T CB 0.467 69.065 68.868 -0.450 0.000 1.002 262 T HN 1.116 nan 8.240 nan 0.000 0.453 263 G N 5.512 114.135 108.800 -0.295 0.000 2.536 263 G HA2 -0.287 3.630 3.960 -0.073 0.000 0.280 263 G HA3 -0.287 3.630 3.960 -0.073 0.000 0.280 263 G C 0.324 175.048 174.900 -0.294 0.000 1.152 263 G CA 0.765 45.731 45.100 -0.223 0.000 0.970 263 G HN 1.025 nan 8.290 nan 0.000 0.549 264 D N 0.457 120.714 120.400 -0.239 0.000 2.363 264 D HA 0.351 4.948 4.640 -0.073 0.000 0.214 264 D C 1.165 177.314 176.300 -0.253 0.000 1.093 264 D CA 0.866 54.731 54.000 -0.225 0.000 0.837 264 D CB -0.223 40.500 40.800 -0.128 0.000 0.948 264 D HN 0.927 nan 8.370 nan 0.000 0.507 265 M N -0.918 118.480 119.600 -0.337 0.000 2.578 265 M HA 0.644 5.080 4.480 -0.073 0.000 0.321 265 M C -1.607 174.399 176.300 -0.489 0.000 1.182 265 M CA -0.736 54.438 55.300 -0.209 0.000 0.965 265 M CB 1.827 34.419 32.600 -0.013 0.000 1.694 265 M HN -0.216 nan 8.290 nan 0.000 0.461 266 Y N 0.117 120.400 120.300 -0.028 0.000 2.446 266 Y HA 0.601 5.107 4.550 -0.073 0.000 0.345 266 Y C -0.592 175.404 175.900 0.160 0.000 0.984 266 Y CA -0.675 57.405 58.100 -0.033 0.000 1.058 266 Y CB 1.861 40.315 38.460 -0.010 0.000 1.220 266 Y HN 0.699 nan 8.280 nan 0.000 0.455 267 Q N 1.516 121.570 119.800 0.425 0.000 2.278 267 Q HA 0.634 4.931 4.340 -0.073 0.000 0.257 267 Q C -0.125 176.177 176.000 0.504 0.000 0.928 267 Q CA -0.225 55.897 55.803 0.531 0.000 0.932 267 Q CB 1.342 30.520 28.738 0.733 0.000 1.221 267 Q HN 0.909 nan 8.270 nan 0.000 0.434 268 G N 2.652 111.718 108.800 0.445 0.000 3.008 268 G HA2 0.507 4.424 3.960 -0.073 0.000 0.181 268 G HA3 0.507 4.424 3.960 -0.073 0.000 0.181 268 G C -1.021 174.059 174.900 0.299 0.000 1.309 268 G CA -0.847 44.541 45.100 0.479 0.000 1.009 268 G HN 0.576 nan 8.290 nan 0.000 0.584 269 L N 1.278 122.656 121.223 0.257 0.000 2.288 269 L HA 0.455 4.751 4.340 -0.073 0.000 0.283 269 L C 1.374 178.293 176.870 0.082 0.000 1.072 269 L CA 0.420 55.277 54.840 0.028 0.000 0.862 269 L CB 0.462 42.532 42.059 0.018 0.000 1.245 269 L HN 1.057 nan 8.230 nan 0.000 0.432 270 G N 2.070 110.884 108.800 0.023 0.000 3.329 270 G HA2 -0.301 3.615 3.960 -0.073 0.000 0.220 270 G HA3 -0.301 3.615 3.960 -0.073 0.000 0.220 270 G C -0.003 174.932 174.900 0.057 0.000 1.358 270 G CA -0.212 44.894 45.100 0.011 0.000 0.856 270 G HN 0.506 nan 8.290 nan 0.000 0.551 271 W N 2.120 123.556 121.300 0.226 0.000 2.150 271 W HA 0.613 5.230 4.660 -0.072 0.000 0.341 271 W C 0.736 177.408 176.519 0.254 0.000 1.276 271 W CA -0.292 57.185 57.345 0.219 0.000 1.238 271 W CB 0.503 30.063 29.460 0.167 0.000 1.128 271 W HN 0.261 nan 8.180 nan 0.000 0.581 272 E N 1.596 122.147 120.200 0.585 0.000 2.238 272 E HA 0.533 4.839 4.350 -0.073 0.000 0.267 272 E C -0.871 176.028 176.600 0.498 0.000 0.887 272 E CA -1.085 55.621 56.400 0.509 0.000 0.769 272 E CB 1.828 31.816 29.700 0.479 0.000 1.187 272 E HN 0.167 nan 8.360 nan 0.000 0.416 273 M N 1.910 121.743 119.600 0.388 0.000 2.619 273 M HA 0.529 4.965 4.480 -0.073 0.000 0.297 273 M C -1.474 175.020 176.300 0.324 0.000 1.229 273 M CA -0.462 55.004 55.300 0.277 0.000 0.860 273 M CB 1.676 34.363 32.600 0.144 0.000 1.741 273 M HN 0.313 nan 8.290 nan 0.000 0.462 274 L N 0.208 121.587 121.223 0.260 0.000 2.424 274 L HA 0.536 4.832 4.340 -0.073 0.000 0.258 274 L C -0.940 176.067 176.870 0.227 0.000 0.995 274 L CA -0.653 54.343 54.840 0.259 0.000 0.821 274 L CB 2.017 44.156 42.059 0.133 0.000 1.383 274 L HN 0.534 nan 8.230 nan 0.000 0.410 275 D N 0.893 121.414 120.400 0.201 0.000 2.414 275 D HA 0.030 4.626 4.640 -0.073 0.000 0.242 275 D C -0.990 175.431 176.300 0.202 0.000 1.129 275 D CA 0.184 54.273 54.000 0.150 0.000 0.885 275 D CB 1.121 41.980 40.800 0.098 0.000 1.198 275 D HN 0.342 nan 8.370 nan 0.000 0.437 276 W N 4.532 125.872 121.300 0.066 0.000 2.520 276 W HA 0.320 4.936 4.660 -0.073 0.000 0.323 276 W C -2.323 174.237 176.519 0.069 0.000 1.062 276 W CA -1.844 55.562 57.345 0.103 0.000 1.215 276 W CB 1.147 30.688 29.460 0.135 0.000 1.340 276 W HN 0.249 nan 8.180 nan 0.000 0.516 277 P HA 0.136 nan 4.420 nan 0.000 0.271 277 P C -0.984 175.995 177.300 -0.534 0.000 1.218 277 P CA -0.066 62.282 63.100 -1.254 0.000 0.780 277 P CB 2.268 33.399 31.700 -0.948 0.000 0.901 278 V N 2.046 121.670 119.914 -0.483 0.000 2.881 278 V HA 0.352 4.428 4.120 -0.073 0.000 0.316 278 V C -0.122 175.701 176.094 -0.452 0.000 1.070 278 V CA -1.063 61.049 62.300 -0.313 0.000 0.976 278 V CB 1.739 33.419 31.823 -0.239 0.000 1.038 278 V HN 0.666 nan 8.190 nan 0.000 0.446 279 N N 5.885 124.339 118.700 -0.409 0.000 2.411 279 N HA 0.321 5.017 4.740 -0.073 0.000 0.259 279 N C -1.562 173.559 175.510 -0.649 0.000 1.103 279 N CA -1.761 51.017 53.050 -0.453 0.000 0.954 279 N CB 1.753 40.057 38.487 -0.304 0.000 1.085 279 N HN 0.492 nan 8.380 nan 0.000 0.485 280 P HA -0.155 nan 4.420 nan 0.000 0.216 280 P C 0.445 177.360 177.300 -0.641 0.000 1.150 280 P CA 1.207 63.588 63.100 -1.198 0.000 0.843 280 P CB 0.488 31.145 31.700 -1.738 0.000 0.787 281 D N -0.277 119.850 120.400 -0.454 0.000 2.182 281 D HA -0.092 4.504 4.640 -0.073 0.000 0.201 281 D C 2.141 178.296 176.300 -0.242 0.000 0.986 281 D CA 1.084 54.912 54.000 -0.287 0.000 0.847 281 D CB -0.353 40.319 40.800 -0.214 0.000 0.942 281 D HN 0.184 nan 8.370 nan 0.000 0.467 282 S N 0.959 116.498 115.700 -0.267 0.000 2.348 282 S HA -0.127 4.299 4.470 -0.073 0.000 0.221 282 S C 2.292 176.786 174.600 -0.176 0.000 1.033 282 S CA 0.976 59.055 58.200 -0.203 0.000 1.010 282 S CB -0.282 62.794 63.200 -0.206 0.000 0.891 282 S HN 0.452 nan 8.310 nan 0.000 0.442 283 I N -0.514 119.908 120.570 -0.246 0.000 2.439 283 I HA -0.027 4.099 4.170 -0.073 0.000 0.251 283 I C 1.961 178.022 176.117 -0.093 0.000 1.139 283 I CA 1.212 62.424 61.300 -0.146 0.000 1.438 283 I CB -0.502 37.322 38.000 -0.293 0.000 1.085 283 I HN 0.172 nan 8.210 nan 0.000 0.427 284 I N 1.958 122.424 120.570 -0.173 0.000 2.133 284 I HA -0.213 3.913 4.170 -0.073 0.000 0.238 284 I C 2.317 178.377 176.117 -0.095 0.000 1.074 284 I CA 1.415 62.638 61.300 -0.127 0.000 1.342 284 I CB -0.612 37.296 38.000 -0.154 0.000 1.053 284 I HN 0.285 nan 8.210 nan 0.000 0.404 285 N N 1.095 119.733 118.700 -0.103 0.000 2.244 285 N HA -0.092 4.604 4.740 -0.073 0.000 0.183 285 N C 1.864 177.338 175.510 -0.061 0.000 1.016 285 N CA 1.454 54.458 53.050 -0.077 0.000 0.866 285 N CB -0.530 37.909 38.487 -0.080 0.000 0.980 285 N HN 0.408 nan 8.380 nan 0.000 0.430 286 G N 0.111 108.876 108.800 -0.057 0.000 2.470 286 G HA2 -0.156 3.760 3.960 -0.073 0.000 0.220 286 G HA3 -0.156 3.760 3.960 -0.073 0.000 0.220 286 G C 1.605 176.493 174.900 -0.021 0.000 1.121 286 G CA 0.568 45.650 45.100 -0.029 0.000 0.766 286 G HN 0.254 nan 8.290 nan 0.000 0.553 287 S N 0.058 115.741 115.700 -0.029 0.000 2.461 287 S HA 0.000 4.427 4.470 -0.073 0.000 0.228 287 S C 1.016 175.570 174.600 -0.076 0.000 1.005 287 S CA -0.164 58.005 58.200 -0.052 0.000 0.942 287 S CB -0.054 63.100 63.200 -0.076 0.000 0.776 287 S HN 0.502 nan 8.310 nan 0.000 0.514 288 D N 2.028 122.390 120.400 -0.063 0.000 2.493 288 D HA -0.015 4.581 4.640 -0.073 0.000 0.240 288 D C 0.580 176.845 176.300 -0.059 0.000 1.142 288 D CA 0.119 54.085 54.000 -0.057 0.000 0.872 288 D CB 0.397 41.171 40.800 -0.044 0.000 1.173 288 D HN 0.006 nan 8.370 nan 0.000 0.467 289 N N 3.324 121.989 118.700 -0.058 0.000 2.348 289 N HA -0.180 4.517 4.740 -0.073 0.000 0.185 289 N C 1.511 177.000 175.510 -0.034 0.000 1.019 289 N CA 0.554 53.570 53.050 -0.058 0.000 0.880 289 N CB -0.092 38.369 38.487 -0.043 0.000 0.965 289 N HN 0.578 nan 8.380 nan 0.000 0.437 290 K N 0.357 120.743 120.400 -0.023 0.000 2.280 290 K HA -0.056 4.221 4.320 -0.073 0.000 0.202 290 K C 1.301 177.896 176.600 -0.009 0.000 1.047 290 K CA 0.824 57.106 56.287 -0.009 0.000 0.942 290 K CB 0.211 32.706 32.500 -0.008 0.000 0.739 290 K HN 0.022 nan 8.250 nan 0.000 0.457 291 I N 0.055 120.612 120.570 -0.022 0.000 2.900 291 I HA 0.045 4.171 4.170 -0.073 0.000 0.251 291 I C 2.353 178.455 176.117 -0.024 0.000 1.102 291 I CA 0.890 62.179 61.300 -0.018 0.000 1.457 291 I CB -1.366 36.621 38.000 -0.023 0.000 1.285 291 I HN 0.098 nan 8.210 nan 0.000 0.459 292 A N 1.176 123.960 122.820 -0.059 0.000 2.032 292 A HA -0.131 4.145 4.320 -0.073 0.000 0.221 292 A C 2.135 179.639 177.584 -0.134 0.000 1.165 292 A CA 1.462 53.428 52.037 -0.117 0.000 0.645 292 A CB -0.760 18.122 19.000 -0.197 0.000 0.807 292 A HN 0.460 nan 8.150 nan 0.000 0.453 293 L N -1.260 119.922 121.223 -0.069 0.000 2.607 293 L HA 0.273 4.570 4.340 -0.073 0.000 0.228 293 L C 1.078 177.981 176.870 0.054 0.000 1.123 293 L CA -0.062 54.779 54.840 0.003 0.000 0.890 293 L CB -0.273 41.800 42.059 0.024 0.000 1.103 293 L HN 0.365 nan 8.230 nan 0.000 0.468 294 A N 0.692 123.535 122.820 0.038 0.000 2.304 294 A HA 0.707 4.984 4.320 -0.073 0.000 0.301 294 A C 0.346 177.960 177.584 0.050 0.000 1.132 294 A CA -0.275 51.795 52.037 0.055 0.000 0.819 294 A CB 0.620 19.643 19.000 0.038 0.000 1.094 294 A HN 0.177 nan 8.150 nan 0.000 0.492 295 A N 2.201 125.049 122.820 0.046 0.000 2.425 295 A HA 0.601 4.877 4.320 -0.073 0.000 0.249 295 A C 0.369 177.899 177.584 -0.091 0.000 1.084 295 A CA -0.124 51.872 52.037 -0.068 0.000 0.781 295 A CB 0.189 19.069 19.000 -0.200 0.000 1.019 295 A HN 0.759 nan 8.150 nan 0.000 0.490 296 R N 1.858 122.300 120.500 -0.096 0.000 2.651 296 R HA 0.469 4.765 4.340 -0.073 0.000 0.278 296 R C -3.140 173.155 176.300 -0.009 0.000 1.010 296 R CA -1.915 54.182 56.100 -0.005 0.000 0.896 296 R CB 2.209 32.592 30.300 0.138 0.000 1.211 296 R HN 0.558 nan 8.270 nan 0.000 0.456 297 P HA 0.113 nan 4.420 nan 0.000 0.275 297 P C -0.267 177.257 177.300 0.374 0.000 1.227 297 P CA -0.267 62.859 63.100 0.043 0.000 0.781 297 P CB 0.997 32.705 31.700 0.012 0.000 0.906 298 V N -0.127 120.047 119.914 0.434 0.000 2.715 298 V HA 0.570 4.646 4.120 -0.073 0.000 0.310 298 V C -0.183 176.526 176.094 1.026 0.000 1.054 298 V CA -1.075 62.133 62.300 1.514 0.000 0.928 298 V CB 2.005 33.376 31.823 -0.753 0.000 1.007 298 V HN 0.302 nan 8.190 nan 0.000 0.437 299 K N 2.719 123.537 120.400 0.697 0.000 2.240 299 K HA 0.746 5.022 4.320 -0.073 0.000 0.271 299 K C 0.108 176.943 176.600 0.391 0.000 1.018 299 K CA -0.320 56.148 56.287 0.303 0.000 0.874 299 K CB 1.799 34.339 32.500 0.068 0.000 1.098 299 K HN 1.087 nan 8.250 nan 0.000 0.458 300 A N 4.227 127.258 122.820 0.352 0.000 2.477 300 A HA 0.210 4.486 4.320 -0.073 0.000 0.246 300 A C 0.029 177.741 177.584 0.214 0.000 1.078 300 A CA -0.082 52.149 52.037 0.323 0.000 0.770 300 A CB -0.125 19.009 19.000 0.224 0.000 1.011 300 A HN 0.758 nan 8.150 nan 0.000 0.494 301 I N 2.800 123.498 120.570 0.212 0.000 2.307 301 I HA 0.178 4.304 4.170 -0.073 0.000 0.287 301 I C -0.160 176.022 176.117 0.109 0.000 1.054 301 I CA 0.080 61.461 61.300 0.134 0.000 1.218 301 I CB 1.064 39.138 38.000 0.123 0.000 1.398 301 I HN 0.517 nan 8.210 nan 0.000 0.475 302 T N 6.704 121.312 114.554 0.089 0.000 2.853 302 T HA 0.397 4.704 4.350 -0.073 0.000 0.317 302 T C -1.561 173.168 174.700 0.048 0.000 1.059 302 T CA -0.891 61.254 62.100 0.075 0.000 0.954 302 T CB 0.680 69.595 68.868 0.078 0.000 0.994 302 T HN 0.471 nan 8.240 nan 0.000 0.479 303 P HA 0.541 nan 4.420 nan 0.000 0.284 303 P C -3.034 174.270 177.300 0.007 0.000 1.292 303 P CA -2.099 61.023 63.100 0.037 0.000 0.800 303 P CB 0.092 31.808 31.700 0.028 0.000 1.188 304 P HA 0.070 nan 4.420 nan 0.000 0.267 304 P C -0.351 176.855 177.300 -0.156 0.000 1.200 304 P CA 0.490 63.497 63.100 -0.156 0.000 0.772 304 P CB -0.012 31.465 31.700 -0.371 0.000 0.855 305 T N 5.025 119.473 114.554 -0.178 0.000 2.780 305 T HA 0.300 4.607 4.350 -0.073 0.000 0.294 305 T C -2.198 172.394 174.700 -0.179 0.000 0.949 305 T CA -1.236 60.772 62.100 -0.153 0.000 1.074 305 T CB 0.140 68.908 68.868 -0.167 0.000 0.910 305 T HN 0.249 nan 8.240 nan 0.000 0.501 306 P HA 0.193 nan 4.420 nan 0.000 0.269 306 P C -0.466 176.766 177.300 -0.113 0.000 1.209 306 P CA -0.427 62.607 63.100 -0.111 0.000 0.776 306 P CB 0.308 31.964 31.700 -0.074 0.000 0.876 307 A N 2.865 125.628 122.820 -0.094 0.000 2.600 307 A HA 0.000 4.276 4.320 -0.073 0.000 0.253 307 A C 0.225 177.752 177.584 -0.095 0.000 0.997 307 A CA 0.348 52.332 52.037 -0.089 0.000 0.820 307 A CB -0.850 18.110 19.000 -0.065 0.000 0.888 307 A HN 0.375 nan 8.150 nan 0.000 0.508 308 V N 6.108 125.954 119.914 -0.113 0.000 2.432 308 V HA 0.154 4.230 4.120 -0.073 0.000 0.275 308 V C 1.541 177.587 176.094 -0.080 0.000 1.043 308 V CA -0.621 61.618 62.300 -0.101 0.000 0.925 308 V CB 1.120 32.864 31.823 -0.131 0.000 0.985 308 V HN 1.025 nan 8.190 nan 0.000 0.466 309 R N 3.719 124.182 120.500 -0.062 0.000 2.073 309 R HA -0.024 4.273 4.340 -0.073 0.000 0.234 309 R C 1.364 177.638 176.300 -0.043 0.000 1.134 309 R CA 1.391 57.456 56.100 -0.058 0.000 0.952 309 R CB -0.459 29.811 30.300 -0.051 0.000 0.850 309 R HN 0.743 nan 8.270 nan 0.000 0.433 310 A N 2.023 124.844 122.820 0.002 0.000 3.063 310 A HA 0.264 4.540 4.320 -0.073 0.000 0.263 310 A C -0.431 177.231 177.584 0.131 0.000 1.736 310 A CA 0.090 52.179 52.037 0.087 0.000 1.408 310 A CB -0.150 18.929 19.000 0.132 0.000 1.108 310 A HN 0.091 nan 8.150 nan 0.000 0.621 311 S N 0.467 116.204 115.700 0.062 0.000 2.569 311 S HA 0.559 4.985 4.470 -0.073 0.000 0.280 311 S C -1.050 173.587 174.600 0.062 0.000 1.111 311 S CA -0.588 57.661 58.200 0.083 0.000 0.887 311 S CB 1.273 64.447 63.200 -0.045 0.000 1.095 311 S HN 0.686 nan 8.310 nan 0.000 0.476 312 W N 3.731 125.020 121.300 -0.018 0.000 2.291 312 W HA 0.579 5.195 4.660 -0.074 0.000 0.312 312 W C -1.860 174.494 176.519 -0.274 0.000 1.061 312 W CA -0.571 56.719 57.345 -0.093 0.000 1.296 312 W CB 0.576 30.092 29.460 0.094 0.000 1.223 312 W HN 0.354 nan 8.180 nan 0.000 0.421 313 V N 7.525 126.959 119.914 -0.801 0.000 2.435 313 V HA 0.466 4.542 4.120 -0.073 0.000 0.290 313 V C -0.013 175.676 176.094 -0.675 0.000 1.030 313 V CA -0.324 61.489 62.300 -0.811 0.000 0.881 313 V CB 1.270 32.108 31.823 -1.641 0.000 0.983 313 V HN 0.683 nan 8.190 nan 0.000 0.445 314 H N 2.296 121.308 119.070 -0.097 0.000 2.948 314 H HA 0.893 5.406 4.556 -0.072 0.000 0.315 314 H C -1.319 174.287 175.328 0.462 0.000 1.360 314 H CA -1.298 54.836 56.048 0.144 0.000 1.125 314 H CB 2.135 32.046 29.762 0.249 0.000 1.844 314 H HN 0.446 nan 8.280 nan 0.000 0.529 315 K N 1.153 121.714 120.400 0.268 0.000 2.579 315 K HA 0.248 4.524 4.320 -0.073 0.000 0.257 315 K C -1.475 175.280 176.600 0.259 0.000 0.950 315 K CA 0.010 56.396 56.287 0.164 0.000 0.862 315 K CB 1.984 34.556 32.500 0.120 0.000 1.317 315 K HN 0.930 nan 8.250 nan 0.000 0.436 316 T N 0.040 114.733 114.554 0.231 0.000 2.928 316 T HA 0.884 5.190 4.350 -0.073 0.000 0.284 316 T C 0.296 175.108 174.700 0.186 0.000 1.008 316 T CA -0.469 61.797 62.100 0.276 0.000 1.057 316 T CB 1.669 70.593 68.868 0.093 0.000 1.018 316 T HN 0.648 nan 8.240 nan 0.000 0.493 317 G N -0.511 108.403 108.800 0.189 0.000 2.733 317 G HA2 0.771 4.687 3.960 -0.073 0.000 0.297 317 G HA3 0.771 4.687 3.960 -0.073 0.000 0.297 317 G C -1.499 173.504 174.900 0.171 0.000 1.422 317 G CA -0.534 44.677 45.100 0.186 0.000 0.942 317 G HN 1.191 nan 8.290 nan 0.000 0.510 318 A N 0.295 123.216 122.820 0.168 0.000 2.608 318 A HA 0.978 5.254 4.320 -0.073 0.000 0.292 318 A C -0.091 177.594 177.584 0.168 0.000 1.066 318 A CA 0.154 52.297 52.037 0.177 0.000 0.676 318 A CB 1.481 20.550 19.000 0.115 0.000 1.277 318 A HN 1.956 nan 8.150 nan 0.000 0.413 319 T N -2.246 112.444 114.554 0.227 0.000 2.693 319 T HA 0.645 4.951 4.350 -0.073 0.000 0.278 319 T C 1.296 176.115 174.700 0.198 0.000 0.994 319 T CA 0.173 62.389 62.100 0.192 0.000 1.033 319 T CB 0.966 70.003 68.868 0.281 0.000 1.342 319 T HN 1.669 nan 8.240 nan 0.000 0.538 320 G N -0.422 108.480 108.800 0.170 0.000 2.432 320 G HA2 0.181 4.097 3.960 -0.073 0.000 0.219 320 G HA3 0.181 4.097 3.960 -0.073 0.000 0.219 320 G C 1.169 176.165 174.900 0.159 0.000 1.135 320 G CA 0.624 45.807 45.100 0.139 0.000 0.767 320 G HN 1.138 nan 8.290 nan 0.000 0.550 321 G N -1.322 107.617 108.800 0.232 0.000 3.192 321 G HA2 0.465 4.382 3.960 -0.073 0.000 0.239 321 G HA3 0.465 4.382 3.960 -0.073 0.000 0.239 321 G C -0.287 174.578 174.900 -0.059 0.000 1.084 321 G CA -0.436 44.710 45.100 0.077 0.000 0.784 321 G HN 0.197 nan 8.290 nan 0.000 0.540 322 F N -0.424 119.664 119.950 0.230 0.000 2.593 322 F HA 0.741 5.222 4.527 -0.077 0.000 0.320 322 F C 0.383 176.326 175.800 0.238 0.000 1.060 322 F CA -1.171 57.001 58.000 0.285 0.000 0.940 322 F CB 2.368 41.560 39.000 0.320 0.000 1.268 322 F HN 0.007 nan 8.300 nan 0.000 0.475 323 G N 0.517 109.598 108.800 0.468 0.000 2.732 323 G HA2 0.587 4.504 3.960 -0.073 0.000 0.295 323 G HA3 0.587 4.504 3.960 -0.073 0.000 0.295 323 G C -1.660 173.416 174.900 0.293 0.000 1.456 323 G CA -0.571 44.690 45.100 0.269 0.000 1.050 323 G HN 0.581 nan 8.290 nan 0.000 0.525 324 S N -0.046 115.792 115.700 0.231 0.000 2.632 324 S HA 0.839 5.266 4.470 -0.073 0.000 0.289 324 S C -1.823 172.971 174.600 0.324 0.000 1.115 324 S CA -0.637 57.722 58.200 0.266 0.000 0.889 324 S CB 2.106 65.460 63.200 0.256 0.000 1.116 324 S HN 0.740 nan 8.310 nan 0.000 0.486 325 Y N 0.330 120.735 120.300 0.176 0.000 2.474 325 Y HA 0.562 5.068 4.550 -0.074 0.000 0.326 325 Y C -1.974 174.076 175.900 0.251 0.000 1.160 325 Y CA -0.696 57.523 58.100 0.199 0.000 1.056 325 Y CB 0.799 39.373 38.460 0.190 0.000 1.330 325 Y HN 0.492 nan 8.280 nan 0.000 0.447 326 V N 4.364 124.102 119.914 -0.295 0.000 2.760 326 V HA 0.998 5.075 4.120 -0.073 0.000 0.309 326 V C -0.912 174.958 176.094 -0.374 0.000 1.077 326 V CA -0.189 62.035 62.300 -0.127 0.000 0.910 326 V CB 1.650 33.650 31.823 0.295 0.000 1.008 326 V HN 1.050 nan 8.190 nan 0.000 0.424 327 A N 4.499 127.146 122.820 -0.288 0.000 2.566 327 A HA 1.008 5.284 4.320 -0.073 0.000 0.297 327 A C -1.398 175.937 177.584 -0.415 0.000 1.059 327 A CA -0.506 51.236 52.037 -0.491 0.000 0.691 327 A CB 1.753 20.385 19.000 -0.612 0.000 1.282 327 A HN 1.546 nan 8.150 nan 0.000 0.401 328 F N -0.739 118.762 119.950 -0.748 0.000 2.693 328 F HA 0.811 5.294 4.527 -0.073 0.000 0.309 328 F C -1.424 173.994 175.800 -0.637 0.000 1.129 328 F CA -1.174 56.449 58.000 -0.627 0.000 0.948 328 F CB 1.283 39.986 39.000 -0.495 0.000 1.315 328 F HN 0.323 nan 8.300 nan 0.000 0.447 329 I N 2.460 122.826 120.570 -0.340 0.000 2.464 329 I HA 0.309 4.436 4.170 -0.073 0.000 0.277 329 I C -2.138 173.850 176.117 -0.214 0.000 1.040 329 I CA -1.883 59.187 61.300 -0.384 0.000 1.153 329 I CB 1.560 39.187 38.000 -0.621 0.000 1.274 329 I HN 0.372 nan 8.210 nan 0.000 0.469 330 P HA -0.243 nan 4.420 nan 0.000 0.217 330 P C 1.443 178.665 177.300 -0.131 0.000 1.162 330 P CA 1.339 64.386 63.100 -0.088 0.000 0.901 330 P CB 0.277 31.938 31.700 -0.066 0.000 0.793 331 E N -0.432 119.686 120.200 -0.137 0.000 2.219 331 E HA -0.195 4.111 4.350 -0.073 0.000 0.198 331 E C 1.110 177.624 176.600 -0.142 0.000 0.998 331 E CA 1.226 57.556 56.400 -0.118 0.000 0.818 331 E CB -0.129 29.522 29.700 -0.083 0.000 0.741 331 E HN 0.340 nan 8.360 nan 0.000 0.477 332 K N -0.092 120.185 120.400 -0.205 0.000 2.387 332 K HA 0.097 4.373 4.320 -0.073 0.000 0.203 332 K C -0.322 176.159 176.600 -0.198 0.000 1.030 332 K CA -0.091 56.074 56.287 -0.203 0.000 1.099 332 K CB 0.691 33.030 32.500 -0.268 0.000 0.863 332 K HN 0.019 nan 8.250 nan 0.000 0.529 333 E N 1.011 121.101 120.200 -0.182 0.000 2.328 333 E HA -0.230 4.076 4.350 -0.073 0.000 0.233 333 E C -0.808 175.688 176.600 -0.172 0.000 1.219 333 E CA 0.269 56.562 56.400 -0.178 0.000 0.717 333 E CB -1.048 28.546 29.700 -0.178 0.000 1.210 333 E HN 0.109 nan 8.360 nan 0.000 0.381 334 L N -0.260 120.862 121.223 -0.168 0.000 2.365 334 L HA 0.792 5.088 4.340 -0.073 0.000 0.273 334 L C 0.217 177.014 176.870 -0.122 0.000 1.000 334 L CA 0.208 54.975 54.840 -0.123 0.000 0.819 334 L CB 2.014 43.988 42.059 -0.141 0.000 1.284 334 L HN 0.059 nan 8.230 nan 0.000 0.418 335 G N 4.160 112.919 108.800 -0.068 0.000 2.608 335 G HA2 0.629 4.546 3.960 -0.073 0.000 0.291 335 G HA3 0.629 4.546 3.960 -0.073 0.000 0.291 335 G C -2.188 172.704 174.900 -0.013 0.000 1.425 335 G CA -0.437 44.625 45.100 -0.064 0.000 0.787 335 G HN 0.798 nan 8.290 nan 0.000 0.484 336 I N -0.391 120.178 120.570 -0.002 0.000 2.841 336 I HA 0.635 4.762 4.170 -0.073 0.000 0.298 336 I C -1.464 174.705 176.117 0.086 0.000 1.304 336 I CA -0.948 60.391 61.300 0.064 0.000 1.019 336 I CB 2.290 40.352 38.000 0.103 0.000 1.282 336 I HN 0.410 nan 8.210 nan 0.000 0.432 337 V N 7.128 127.125 119.914 0.139 0.000 2.638 337 V HA 0.540 4.617 4.120 -0.073 0.000 0.306 337 V C -0.539 175.676 176.094 0.202 0.000 1.052 337 V CA -0.435 61.966 62.300 0.168 0.000 0.885 337 V CB 1.872 33.804 31.823 0.181 0.000 0.999 337 V HN 0.640 nan 8.190 nan 0.000 0.424 338 M N 6.168 125.903 119.600 0.224 0.000 2.142 338 M HA 0.609 5.045 4.480 -0.073 0.000 0.299 338 M C -1.373 175.036 176.300 0.182 0.000 0.960 338 M CA -0.142 55.300 55.300 0.237 0.000 0.920 338 M CB 1.842 34.635 32.600 0.322 0.000 1.541 338 M HN 0.395 nan 8.290 nan 0.000 0.429 339 L N 2.834 124.073 121.223 0.025 0.000 2.356 339 L HA 0.999 5.295 4.340 -0.073 0.000 0.277 339 L C -0.414 176.398 176.870 -0.097 0.000 0.996 339 L CA -0.749 53.987 54.840 -0.174 0.000 0.822 339 L CB 1.811 43.391 42.059 -0.798 0.000 1.256 339 L HN 0.774 nan 8.230 nan 0.000 0.413 340 A N 1.885 124.890 122.820 0.310 0.000 2.475 340 A HA 0.606 4.882 4.320 -0.073 0.000 0.301 340 A C -0.522 177.442 177.584 0.633 0.000 1.059 340 A CA -0.771 51.560 52.037 0.490 0.000 0.710 340 A CB 1.290 20.545 19.000 0.425 0.000 1.288 340 A HN 0.762 nan 8.150 nan 0.000 0.408 341 N N 1.049 120.038 118.700 0.483 0.000 2.802 341 N HA 0.352 5.049 4.740 -0.073 0.000 0.288 341 N C -0.667 174.837 175.510 -0.009 0.000 1.268 341 N CA -0.283 52.742 53.050 -0.041 0.000 1.035 341 N CB 0.250 38.710 38.487 -0.045 0.000 1.353 341 N HN 0.502 nan 8.380 nan 0.000 0.522 342 K N 0.010 120.492 120.400 0.137 0.000 2.570 342 K HA 0.286 4.563 4.320 -0.073 0.000 0.256 342 K C -1.966 174.816 176.600 0.303 0.000 0.939 342 K CA -0.523 55.875 56.287 0.185 0.000 0.833 342 K CB 0.827 33.429 32.500 0.171 0.000 1.318 342 K HN -0.004 nan 8.250 nan 0.000 0.433 343 N N 3.932 122.774 118.700 0.237 0.000 2.602 343 N HA 0.185 4.882 4.740 -0.073 0.000 0.238 343 N C -1.341 174.298 175.510 0.215 0.000 1.084 343 N CA -0.239 52.939 53.050 0.213 0.000 0.952 343 N CB -0.197 38.382 38.487 0.152 0.000 1.244 343 N HN 0.507 nan 8.380 nan 0.000 0.512 344 Y N 1.435 121.783 120.300 0.079 0.000 2.453 344 Y HA 0.737 5.242 4.550 -0.075 0.000 0.326 344 Y C -2.454 173.470 175.900 0.040 0.000 1.186 344 Y CA -3.543 54.587 58.100 0.050 0.000 1.200 344 Y CB -0.697 37.786 38.460 0.038 0.000 1.247 344 Y HN 0.274 nan 8.280 nan 0.000 0.482 345 P HA -0.049 nan 4.420 nan 0.000 0.261 345 P C 0.220 177.410 177.300 -0.183 0.000 1.165 345 P CA 0.491 63.555 63.100 -0.059 0.000 0.759 345 P CB 0.651 32.364 31.700 0.020 0.000 0.772 346 N N 5.043 123.636 118.700 -0.179 0.000 2.061 346 N HA -0.156 4.540 4.740 -0.073 0.000 0.193 346 N C -0.841 174.558 175.510 -0.185 0.000 1.030 346 N CA 1.916 54.838 53.050 -0.212 0.000 0.856 346 N CB -1.897 36.496 38.487 -0.157 0.000 1.023 346 N HN 0.450 nan 8.380 nan 0.000 0.424 347 P HA -0.089 nan 4.420 nan 0.000 0.217 347 P C 1.058 178.334 177.300 -0.041 0.000 1.148 347 P CA 1.607 64.661 63.100 -0.077 0.000 0.828 347 P CB -0.063 31.607 31.700 -0.050 0.000 0.783 348 A N -0.198 122.624 122.820 0.003 0.000 1.930 348 A HA -0.184 4.093 4.320 -0.073 0.000 0.217 348 A C 2.178 179.841 177.584 0.133 0.000 1.175 348 A CA 1.270 53.367 52.037 0.099 0.000 0.627 348 A CB -0.858 18.276 19.000 0.224 0.000 0.815 348 A HN 0.117 nan 8.150 nan 0.000 0.443 349 R N -0.535 119.982 120.500 0.029 0.000 2.066 349 R HA -0.056 4.240 4.340 -0.073 0.000 0.232 349 R C 1.931 178.196 176.300 -0.058 0.000 1.131 349 R CA 1.481 57.593 56.100 0.021 0.000 0.955 349 R CB -0.739 29.433 30.300 -0.212 0.000 0.851 349 R HN 0.339 nan 8.270 nan 0.000 0.432 350 V N 1.815 121.578 119.914 -0.251 0.000 2.427 350 V HA -0.227 3.849 4.120 -0.073 0.000 0.248 350 V C 1.917 178.091 176.094 0.132 0.000 1.051 350 V CA 2.107 64.311 62.300 -0.159 0.000 1.048 350 V CB -0.581 31.128 31.823 -0.191 0.000 0.666 350 V HN 0.321 nan 8.190 nan 0.000 0.456 351 D N 0.559 121.012 120.400 0.089 0.000 2.097 351 D HA -0.143 4.454 4.640 -0.073 0.000 0.195 351 D C 2.140 178.581 176.300 0.235 0.000 0.989 351 D CA 1.566 55.656 54.000 0.150 0.000 0.827 351 D CB -0.155 40.695 40.800 0.084 0.000 0.966 351 D HN 0.339 nan 8.370 nan 0.000 0.456 352 A N 0.622 123.554 122.820 0.186 0.000 1.883 352 A HA -0.006 4.270 4.320 -0.073 0.000 0.217 352 A C 2.432 180.161 177.584 0.241 0.000 1.186 352 A CA 2.460 54.602 52.037 0.174 0.000 0.624 352 A CB -1.287 17.797 19.000 0.141 0.000 0.822 352 A HN 0.350 nan 8.150 nan 0.000 0.444 353 A N -1.187 121.841 122.820 0.347 0.000 1.908 353 A HA -0.210 4.066 4.320 -0.073 0.000 0.218 353 A C 2.120 180.014 177.584 0.518 0.000 1.181 353 A CA 1.529 53.846 52.037 0.466 0.000 0.627 353 A CB -0.932 18.521 19.000 0.755 0.000 0.818 353 A HN 0.927 nan 8.150 nan 0.000 0.445 354 W N 0.565 122.088 121.300 0.372 0.000 2.388 354 W HA -0.153 4.463 4.660 -0.074 0.000 0.294 354 W C 1.749 178.399 176.519 0.218 0.000 1.212 354 W CA 1.792 59.321 57.345 0.306 0.000 1.271 354 W CB -0.288 29.215 29.460 0.073 0.000 1.126 354 W HN 0.401 nan 8.180 nan 0.000 0.535 355 Q N 0.878 120.750 119.800 0.119 0.000 2.050 355 Q HA -0.203 4.094 4.340 -0.073 0.000 0.202 355 Q C 2.327 178.277 176.000 -0.083 0.000 0.980 355 Q CA 2.118 57.909 55.803 -0.020 0.000 0.840 355 Q CB -0.800 27.989 28.738 0.085 0.000 0.898 355 Q HN 0.468 nan 8.270 nan 0.000 0.424 356 I N 0.499 121.073 120.570 0.007 0.000 2.133 356 I HA -0.277 3.849 4.170 -0.073 0.000 0.238 356 I C 2.345 178.445 176.117 -0.028 0.000 1.074 356 I CA 1.005 62.302 61.300 -0.005 0.000 1.342 356 I CB -0.343 37.682 38.000 0.041 0.000 1.053 356 I HN 0.121 nan 8.210 nan 0.000 0.404 357 L N 0.349 121.583 121.223 0.019 0.000 2.141 357 L HA -0.184 4.112 4.340 -0.073 0.000 0.209 357 L C 2.205 179.024 176.870 -0.086 0.000 1.094 357 L CA 1.224 56.068 54.840 0.007 0.000 0.763 357 L CB -0.762 41.355 42.059 0.098 0.000 0.908 357 L HN 0.341 nan 8.230 nan 0.000 0.437 358 N N 0.487 119.006 118.700 -0.302 0.000 2.270 358 N HA -0.104 4.592 4.740 -0.073 0.000 0.181 358 N C 1.739 177.133 175.510 -0.194 0.000 1.016 358 N CA 1.193 53.986 53.050 -0.428 0.000 0.870 358 N CB 0.088 37.877 38.487 -1.162 0.000 0.979 358 N HN 0.249 nan 8.380 nan 0.000 0.431 359 A N -0.114 122.612 122.820 -0.158 0.000 2.014 359 A HA 0.084 4.360 4.320 -0.073 0.000 0.218 359 A C 1.956 179.513 177.584 -0.045 0.000 1.163 359 A CA 0.649 52.636 52.037 -0.083 0.000 0.652 359 A CB -0.358 18.596 19.000 -0.077 0.000 0.808 359 A HN 0.343 nan 8.150 nan 0.000 0.449 360 L N -2.075 119.129 121.223 -0.032 0.000 2.529 360 L HA 0.176 4.472 4.340 -0.073 0.000 0.223 360 L C 0.785 177.720 176.870 0.109 0.000 1.113 360 L CA 0.333 55.190 54.840 0.029 0.000 0.861 360 L CB -0.044 42.038 42.059 0.038 0.000 1.012 360 L HN 0.463 nan 8.230 nan 0.000 0.461 361 Q N 0.000 119.836 119.800 0.060 0.000 2.315 361 Q HA 0.000 4.296 4.340 -0.073 0.000 0.214 361 Q CA 0.000 55.851 55.803 0.080 0.000 1.022 361 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481