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 1kdw_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 0.000 177.481 177.584 -0.172 0.000 1.274 4 A CA 0.000 51.966 52.037 -0.119 0.000 0.836 4 A CB 0.000 18.916 19.000 -0.141 0.000 0.831 5 P HA 0.020 nan 4.420 nan 0.000 0.266 5 P C 0.857 178.070 177.300 -0.144 0.000 1.186 5 P CA -0.050 62.940 63.100 -0.183 0.000 0.767 5 P CB 0.619 32.175 31.700 -0.240 0.000 0.820 6 Q N 2.465 122.212 119.800 -0.088 0.000 2.181 6 Q HA -0.270 4.070 4.340 -0.000 0.000 0.205 6 Q C 1.817 177.774 176.000 -0.071 0.000 0.980 6 Q CA 1.910 57.679 55.803 -0.057 0.000 0.862 6 Q CB -0.156 28.560 28.738 -0.037 0.000 0.905 6 Q HN 0.611 nan 8.270 nan 0.000 0.429 7 Q N -0.116 119.617 119.800 -0.111 0.000 2.061 7 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 7 Q C 2.172 178.072 176.000 -0.168 0.000 0.984 7 Q CA 1.640 57.362 55.803 -0.134 0.000 0.846 7 Q CB -0.148 28.488 28.738 -0.170 0.000 0.902 7 Q HN 0.509 nan 8.270 nan 0.000 0.421 8 I N 0.973 121.403 120.570 -0.234 0.000 2.202 8 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 8 I C 2.130 178.195 176.117 -0.086 0.000 1.091 8 I CA 0.777 61.945 61.300 -0.220 0.000 1.368 8 I CB -0.483 37.331 38.000 -0.310 0.000 1.058 8 I HN 0.287 nan 8.210 nan 0.000 0.410 9 N N 0.875 119.582 118.700 0.012 0.000 2.104 9 N HA -0.241 4.499 4.740 -0.000 0.000 0.190 9 N C 1.491 177.037 175.510 0.061 0.000 1.024 9 N CA 1.857 54.980 53.050 0.123 0.000 0.853 9 N CB -0.446 38.099 38.487 0.096 0.000 1.008 9 N HN 0.399 nan 8.380 nan 0.000 0.424 10 D N 0.672 121.082 120.400 0.017 0.000 2.077 10 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 10 D C 1.948 178.267 176.300 0.031 0.000 0.989 10 D CA 0.685 54.708 54.000 0.038 0.000 0.831 10 D CB -0.253 40.549 40.800 0.003 0.000 0.979 10 D HN 0.062 nan 8.370 nan 0.000 0.449 11 I N -0.070 120.482 120.570 -0.030 0.000 2.264 11 I HA -0.187 3.982 4.170 -0.000 0.000 0.248 11 I C 2.162 178.250 176.117 -0.048 0.000 1.111 11 I CA 0.943 62.217 61.300 -0.042 0.000 1.382 11 I CB -0.309 37.649 38.000 -0.071 0.000 1.060 11 I HN 0.029 nan 8.210 nan 0.000 0.418 12 V N 0.079 119.930 119.914 -0.106 0.000 2.261 12 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 12 V C 2.529 178.642 176.094 0.031 0.000 1.047 12 V CA 2.285 64.492 62.300 -0.155 0.000 1.015 12 V CB -1.083 30.384 31.823 -0.594 0.000 0.642 12 V HN 0.542 nan 8.190 nan 0.000 0.446 13 H N 0.828 119.906 119.070 0.015 0.000 2.319 13 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 13 H C 2.435 177.802 175.328 0.065 0.000 1.092 13 H CA 2.143 58.270 56.048 0.132 0.000 1.302 13 H CB -0.112 29.725 29.762 0.126 0.000 1.373 13 H HN 0.275 nan 8.280 nan 0.000 0.497 14 R N -1.132 119.353 120.500 -0.024 0.000 2.189 14 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 14 R C 1.946 178.191 176.300 -0.090 0.000 1.092 14 R CA 1.584 57.628 56.100 -0.093 0.000 0.989 14 R CB 0.170 30.456 30.300 -0.024 0.000 0.876 14 R HN 0.367 nan 8.270 nan 0.000 0.457 15 T N 0.507 115.021 114.554 -0.066 0.000 2.925 15 T HA 0.081 4.431 4.350 -0.000 0.000 0.245 15 T C 1.746 176.376 174.700 -0.117 0.000 1.025 15 T CA 0.391 62.454 62.100 -0.061 0.000 1.149 15 T CB 0.120 68.976 68.868 -0.020 0.000 0.866 15 T HN -0.042 nan 8.240 nan 0.000 0.437 16 I N 2.288 122.761 120.570 -0.162 0.000 2.233 16 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 16 I C 2.664 178.490 176.117 -0.484 0.000 1.093 16 I CA 1.422 62.516 61.300 -0.343 0.000 1.380 16 I CB -1.974 35.712 38.000 -0.523 0.000 1.067 16 I HN 0.245 nan 8.210 nan 0.000 0.413 17 T N 2.025 116.335 114.554 -0.407 0.000 2.665 17 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 17 T C -0.251 174.280 174.700 -0.282 0.000 1.035 17 T CA 1.813 63.693 62.100 -0.366 0.000 1.151 17 T CB -1.363 67.378 68.868 -0.212 0.000 0.862 17 T HN 0.237 nan 8.240 nan 0.000 0.438 18 P HA 0.035 nan 4.420 nan 0.000 0.217 18 P C 1.651 178.850 177.300 -0.167 0.000 1.151 18 P CA 0.406 63.408 63.100 -0.162 0.000 0.828 18 P CB -0.149 31.477 31.700 -0.124 0.000 0.788 19 L N -0.544 120.562 121.223 -0.195 0.000 2.042 19 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 19 L C 2.105 178.811 176.870 -0.273 0.000 1.076 19 L CA 1.842 56.562 54.840 -0.200 0.000 0.749 19 L CB -1.104 40.834 42.059 -0.202 0.000 0.893 19 L HN -0.112 nan 8.230 nan 0.000 0.432 20 I N -0.565 119.804 120.570 -0.335 0.000 2.226 20 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 20 I C 2.380 178.369 176.117 -0.213 0.000 1.100 20 I CA 1.124 62.230 61.300 -0.324 0.000 1.374 20 I CB -0.437 37.332 38.000 -0.385 0.000 1.057 20 I HN 0.342 nan 8.210 nan 0.000 0.413 21 E N 0.693 120.790 120.200 -0.172 0.000 2.072 21 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 21 E C 2.131 178.674 176.600 -0.095 0.000 0.985 21 E CA 1.176 57.509 56.400 -0.112 0.000 0.801 21 E CB -0.407 29.239 29.700 -0.090 0.000 0.750 21 E HN 0.605 nan 8.360 nan 0.000 0.452 22 Q N 0.295 120.035 119.800 -0.099 0.000 2.226 22 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 22 Q C 1.801 177.762 176.000 -0.064 0.000 0.975 22 Q CA 0.962 56.724 55.803 -0.069 0.000 0.866 22 Q CB 0.119 28.822 28.738 -0.059 0.000 0.915 22 Q HN 0.182 nan 8.270 nan 0.000 0.440 23 Q N -0.060 119.677 119.800 -0.106 0.000 2.281 23 Q HA 0.123 4.463 4.340 -0.000 0.000 0.215 23 Q C -0.404 175.542 176.000 -0.089 0.000 0.867 23 Q CA 0.076 55.823 55.803 -0.093 0.000 0.940 23 Q CB 0.842 29.465 28.738 -0.191 0.000 1.111 23 Q HN 0.239 nan 8.270 nan 0.000 0.513 24 K N 1.163 121.502 120.400 -0.102 0.000 3.257 24 K HA -0.164 4.156 4.320 -0.000 0.000 0.270 24 K C -0.589 175.959 176.600 -0.086 0.000 0.984 24 K CA 0.236 56.474 56.287 -0.082 0.000 0.739 24 K CB -1.776 30.694 32.500 -0.050 0.000 1.351 24 K HN 0.262 nan 8.250 nan 0.000 0.463 25 I N 0.738 121.231 120.570 -0.129 0.000 2.396 25 I HA 0.029 4.199 4.170 -0.000 0.000 0.289 25 I C -0.996 175.091 176.117 -0.050 0.000 1.056 25 I CA -2.220 59.021 61.300 -0.099 0.000 1.365 25 I CB 0.890 38.774 38.000 -0.193 0.000 1.407 25 I HN 0.033 nan 8.210 nan 0.000 0.509 26 P HA -0.050 nan 4.420 nan 0.000 0.215 26 P C 0.421 177.764 177.300 0.070 0.000 1.157 26 P CA 0.604 63.679 63.100 -0.041 0.000 0.863 26 P CB 0.273 31.858 31.700 -0.192 0.000 0.787 27 G N -1.646 107.261 108.800 0.177 0.000 2.696 27 G HA2 0.700 4.660 3.960 -0.000 0.000 0.295 27 G HA3 0.700 4.660 3.960 -0.000 0.000 0.295 27 G C -1.884 173.260 174.900 0.406 0.000 1.398 27 G CA -0.394 44.885 45.100 0.299 0.000 0.920 27 G HN 0.056 nan 8.290 nan 0.000 0.492 28 M N 0.800 120.686 119.600 0.478 0.000 2.414 28 M HA 0.685 5.165 4.480 -0.000 0.000 0.287 28 M C -1.671 174.971 176.300 0.570 0.000 1.181 28 M CA -0.538 55.029 55.300 0.445 0.000 0.933 28 M CB 2.183 34.911 32.600 0.212 0.000 1.732 28 M HN 1.104 nan 8.290 nan 0.000 0.486 29 A N 3.430 126.452 122.820 0.338 0.000 2.356 29 A HA 0.862 5.182 4.320 -0.000 0.000 0.310 29 A C -1.747 176.055 177.584 0.363 0.000 1.075 29 A CA -0.614 51.639 52.037 0.359 0.000 0.746 29 A CB 1.735 20.852 19.000 0.195 0.000 1.221 29 A HN 0.629 nan 8.150 nan 0.000 0.443 30 V N 0.965 121.212 119.914 0.555 0.000 2.735 30 V HA 0.825 4.945 4.120 -0.000 0.000 0.310 30 V C 0.104 176.529 176.094 0.553 0.000 1.061 30 V CA -0.223 62.393 62.300 0.525 0.000 0.913 30 V CB 1.875 34.067 31.823 0.616 0.000 1.005 30 V HN 1.417 nan 8.190 nan 0.000 0.428 31 A N 3.814 126.885 122.820 0.418 0.000 2.356 31 A HA 0.871 5.191 4.320 -0.000 0.000 0.310 31 A C -1.208 176.532 177.584 0.260 0.000 1.075 31 A CA -0.533 51.707 52.037 0.339 0.000 0.746 31 A CB 1.785 20.977 19.000 0.321 0.000 1.221 31 A HN 0.662 nan 8.150 nan 0.000 0.443 32 V N 3.666 123.741 119.914 0.267 0.000 2.409 32 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 32 V C -0.832 175.386 176.094 0.207 0.000 1.020 32 V CA -0.303 62.140 62.300 0.238 0.000 0.848 32 V CB 1.305 33.295 31.823 0.279 0.000 0.990 32 V HN 0.737 nan 8.190 nan 0.000 0.430 33 I N 5.711 126.360 120.570 0.132 0.000 2.304 33 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 33 I C -0.562 175.670 176.117 0.191 0.000 1.018 33 I CA -0.189 61.164 61.300 0.089 0.000 1.260 33 I CB 0.684 38.674 38.000 -0.018 0.000 1.390 33 I HN 0.603 nan 8.210 nan 0.000 0.475 34 Y N 5.263 125.639 120.300 0.126 0.000 2.361 34 Y HA 0.324 4.874 4.550 -0.000 0.000 0.337 34 Y C 0.218 176.169 175.900 0.084 0.000 0.965 34 Y CA -0.695 57.469 58.100 0.108 0.000 1.091 34 Y CB 1.120 39.669 38.460 0.149 0.000 1.182 34 Y HN 0.654 nan 8.280 nan 0.000 0.450 35 Q N 4.590 124.094 119.800 -0.492 0.000 2.434 35 Q HA -0.303 4.037 4.340 -0.000 0.000 0.299 35 Q C 1.116 177.012 176.000 -0.173 0.000 1.286 35 Q CA 1.154 56.723 55.803 -0.390 0.000 0.872 35 Q CB -1.632 26.825 28.738 -0.469 0.000 1.193 35 Q HN 1.319 nan 8.270 nan 0.000 0.466 36 G N -0.670 108.051 108.800 -0.131 0.000 2.347 36 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.247 36 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.247 36 G C 0.168 175.015 174.900 -0.088 0.000 1.037 36 G CA 0.697 45.734 45.100 -0.106 0.000 0.622 36 G HN 0.331 nan 8.290 nan 0.000 0.521 37 K N 2.173 122.536 120.400 -0.062 0.000 2.144 37 K HA 0.508 4.828 4.320 -0.000 0.000 0.270 37 K C -2.460 173.958 176.600 -0.304 0.000 1.005 37 K CA -1.576 54.614 56.287 -0.162 0.000 0.932 37 K CB 1.940 34.344 32.500 -0.161 0.000 1.021 37 K HN 0.171 nan 8.250 nan 0.000 0.462 38 P HA 0.199 nan 4.420 nan 0.000 0.292 38 P C -1.517 175.094 177.300 -1.150 0.000 1.283 38 P CA -0.408 62.317 63.100 -0.626 0.000 0.835 38 P CB 0.656 32.075 31.700 -0.468 0.000 1.017 39 Y N 1.065 121.060 120.300 -0.508 0.000 2.406 39 Y HA 0.440 4.990 4.550 -0.000 0.000 0.340 39 Y C -0.117 175.376 175.900 -0.678 0.000 0.975 39 Y CA -0.471 57.339 58.100 -0.484 0.000 1.056 39 Y CB 1.893 40.289 38.460 -0.106 0.000 1.210 39 Y HN 0.288 nan 8.280 nan 0.000 0.448 40 Y N 2.516 122.635 120.300 -0.301 0.000 2.409 40 Y HA 0.681 5.231 4.550 -0.000 0.000 0.339 40 Y C -1.014 174.424 175.900 -0.770 0.000 1.033 40 Y CA -1.187 56.736 58.100 -0.296 0.000 1.094 40 Y CB 1.488 39.862 38.460 -0.143 0.000 1.210 40 Y HN 0.390 nan 8.280 nan 0.000 0.456 41 F N 0.451 120.466 119.950 0.109 0.000 2.547 41 F HA 0.584 5.111 4.527 -0.000 0.000 0.316 41 F C -0.082 175.501 175.800 -0.362 0.000 1.121 41 F CA -0.761 57.081 58.000 -0.263 0.000 0.911 41 F CB 2.420 41.261 39.000 -0.264 0.000 1.179 41 F HN 0.269 nan 8.300 nan 0.000 0.443 42 T N 2.973 117.228 114.554 -0.498 0.000 2.893 42 T HA 0.545 4.895 4.350 -0.000 0.000 0.293 42 T C -1.587 172.912 174.700 -0.334 0.000 1.027 42 T CA -0.591 61.390 62.100 -0.199 0.000 0.988 42 T CB 1.222 70.068 68.868 -0.036 0.000 1.043 42 T HN 0.481 nan 8.240 nan 0.000 0.461 43 W N 1.206 122.599 121.300 0.155 0.000 3.167 43 W HA 0.478 5.138 4.660 -0.000 0.000 0.324 43 W C 0.634 177.186 176.519 0.055 0.000 1.230 43 W CA -0.654 56.745 57.345 0.090 0.000 1.184 43 W CB 1.273 30.785 29.460 0.087 0.000 1.414 43 W HN 1.142 nan 8.180 nan 0.000 0.551 44 G N 1.099 110.000 108.800 0.170 0.000 2.641 44 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 44 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 44 G C -1.468 173.399 174.900 -0.054 0.000 1.315 44 G CA -0.370 44.701 45.100 -0.049 0.000 0.907 44 G HN 0.547 nan 8.290 nan 0.000 0.572 45 Y N 0.000 120.380 120.300 0.134 0.000 2.387 45 Y HA 0.533 5.083 4.550 -0.000 0.000 0.336 45 Y C 1.439 177.437 175.900 0.163 0.000 1.067 45 Y CA -0.374 57.800 58.100 0.124 0.000 1.114 45 Y CB 1.917 40.420 38.460 0.072 0.000 1.208 45 Y HN 0.790 nan 8.280 nan 0.000 0.458 46 A N 0.924 123.949 122.820 0.343 0.000 1.975 46 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 46 A C 0.256 178.042 177.584 0.337 0.000 1.170 46 A CA 1.163 53.345 52.037 0.242 0.000 0.656 46 A CB 0.069 19.148 19.000 0.131 0.000 0.821 46 A HN 0.678 nan 8.150 nan 0.000 0.449 47 D N -0.921 119.668 120.400 0.314 0.000 2.473 47 D HA 0.435 5.075 4.640 -0.000 0.000 0.253 47 D C 0.773 177.144 176.300 0.118 0.000 1.233 47 D CA -0.406 53.786 54.000 0.320 0.000 0.908 47 D CB 0.864 41.817 40.800 0.256 0.000 1.170 47 D HN 0.159 nan 8.370 nan 0.000 0.558 48 I N 2.196 122.851 120.570 0.142 0.000 2.090 48 I HA -0.256 3.914 4.170 -0.000 0.000 0.236 48 I C 2.526 178.537 176.117 -0.178 0.000 1.064 48 I CA 1.265 62.519 61.300 -0.077 0.000 1.324 48 I CB -0.256 37.672 38.000 -0.120 0.000 1.044 48 I HN 0.429 nan 8.210 nan 0.000 0.399 49 A N 0.996 123.771 122.820 -0.075 0.000 1.903 49 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 49 A C 2.435 179.948 177.584 -0.119 0.000 1.191 49 A CA 2.995 54.975 52.037 -0.094 0.000 0.638 49 A CB -1.047 17.904 19.000 -0.082 0.000 0.823 49 A HN 0.452 nan 8.150 nan 0.000 0.451 50 K N -0.393 119.948 120.400 -0.097 0.000 2.444 50 K HA 0.221 4.541 4.320 -0.000 0.000 0.193 50 K C 0.771 177.262 176.600 -0.182 0.000 1.024 50 K CA 0.789 57.022 56.287 -0.090 0.000 1.077 50 K CB -0.802 31.691 32.500 -0.011 0.000 0.833 50 K HN 0.608 nan 8.250 nan 0.000 0.517 51 K N 0.398 120.560 120.400 -0.397 0.000 3.071 51 K HA -0.206 4.114 4.320 -0.000 0.000 0.262 51 K C -0.123 176.237 176.600 -0.399 0.000 0.977 51 K CA 0.705 56.474 56.287 -0.864 0.000 0.721 51 K CB -1.338 30.785 32.500 -0.628 0.000 1.293 51 K HN 0.603 nan 8.250 nan 0.000 0.475 52 Q N 1.003 120.724 119.800 -0.132 0.000 2.295 52 Q HA 0.179 4.519 4.340 -0.000 0.000 0.259 52 Q C -2.281 173.885 176.000 0.277 0.000 0.976 52 Q CA -2.072 53.778 55.803 0.079 0.000 0.923 52 Q CB 0.927 29.716 28.738 0.085 0.000 1.185 52 Q HN 0.061 nan 8.270 nan 0.000 0.410 53 P HA 0.029 nan 4.420 nan 0.000 0.277 53 P C -0.746 176.688 177.300 0.223 0.000 1.240 53 P CA -0.311 62.986 63.100 0.328 0.000 0.798 53 P CB 0.933 32.769 31.700 0.226 0.000 0.979 54 V N 2.909 122.963 119.914 0.233 0.000 2.585 54 V HA 0.186 4.306 4.120 -0.000 0.000 0.296 54 V C 1.359 177.563 176.094 0.183 0.000 1.035 54 V CA 0.761 63.209 62.300 0.247 0.000 1.084 54 V CB 0.053 32.099 31.823 0.371 0.000 0.953 54 V HN 0.876 nan 8.190 nan 0.000 0.483 55 T N 1.780 116.427 114.554 0.154 0.000 2.773 55 T HA 0.339 4.689 4.350 -0.000 0.000 0.278 55 T C 0.624 175.362 174.700 0.065 0.000 1.011 55 T CA -0.758 61.390 62.100 0.079 0.000 1.014 55 T CB 1.695 70.582 68.868 0.032 0.000 1.293 55 T HN 0.363 nan 8.240 nan 0.000 0.554 56 Q N -0.123 119.655 119.800 -0.036 0.000 2.119 56 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 56 Q C 2.673 178.614 176.000 -0.099 0.000 0.972 56 Q CA 2.334 58.059 55.803 -0.130 0.000 0.847 56 Q CB -1.062 27.533 28.738 -0.239 0.000 0.903 56 Q HN 0.961 nan 8.270 nan 0.000 0.433 57 Q N 0.857 120.594 119.800 -0.105 0.000 2.482 57 Q HA 0.035 4.375 4.340 -0.000 0.000 0.209 57 Q C 0.818 176.784 176.000 -0.057 0.000 0.961 57 Q CA 0.675 56.381 55.803 -0.162 0.000 0.945 57 Q CB -0.610 28.004 28.738 -0.207 0.000 1.012 57 Q HN 0.322 nan 8.270 nan 0.000 0.515 58 T N 1.749 116.331 114.554 0.047 0.000 2.888 58 T HA 0.464 4.814 4.350 -0.000 0.000 0.301 58 T C 0.179 174.951 174.700 0.120 0.000 1.001 58 T CA -0.207 61.934 62.100 0.069 0.000 1.147 58 T CB 0.241 69.176 68.868 0.112 0.000 0.931 58 T HN 0.474 nan 8.240 nan 0.000 0.541 59 L N 3.873 125.104 121.223 0.013 0.000 2.289 59 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 59 L C -0.651 176.206 176.870 -0.022 0.000 1.049 59 L CA -0.664 54.198 54.840 0.036 0.000 0.804 59 L CB 0.709 42.693 42.059 -0.125 0.000 1.195 59 L HN 0.539 nan 8.230 nan 0.000 0.428 60 F N 0.276 120.219 119.950 -0.011 0.000 2.561 60 F HA 0.365 4.892 4.527 -0.000 0.000 0.321 60 F C 0.389 175.945 175.800 -0.407 0.000 1.065 60 F CA -0.959 56.978 58.000 -0.105 0.000 0.934 60 F CB 1.412 40.508 39.000 0.159 0.000 1.215 60 F HN 0.376 nan 8.300 nan 0.000 0.471 61 E N 2.553 122.280 120.200 -0.790 0.000 2.223 61 E HA 0.175 4.525 4.350 -0.000 0.000 0.282 61 E C 0.432 176.966 176.600 -0.110 0.000 1.046 61 E CA -0.059 56.044 56.400 -0.495 0.000 0.857 61 E CB 0.909 30.227 29.700 -0.637 0.000 1.055 61 E HN 0.606 nan 8.360 nan 0.000 0.409 62 L N 2.874 124.095 121.223 -0.003 0.000 2.478 62 L HA 0.026 4.366 4.340 -0.000 0.000 0.223 62 L C 1.415 178.388 176.870 0.171 0.000 1.140 62 L CA 0.471 55.380 54.840 0.113 0.000 0.842 62 L CB -0.916 41.204 42.059 0.102 0.000 0.953 62 L HN 0.900 nan 8.230 nan 0.000 0.452 63 G N 0.402 109.304 108.800 0.170 0.000 2.596 63 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.295 63 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.295 63 G C 0.818 175.879 174.900 0.267 0.000 1.240 63 G CA 0.370 45.608 45.100 0.230 0.000 0.985 63 G HN 0.207 nan 8.290 nan 0.000 0.555 64 S N -0.222 115.640 115.700 0.270 0.000 2.547 64 S HA 0.063 4.533 4.470 -0.000 0.000 0.235 64 S C 2.336 177.087 174.600 0.253 0.000 0.980 64 S CA 1.159 59.536 58.200 0.295 0.000 0.941 64 S CB -0.071 63.347 63.200 0.364 0.000 0.763 64 S HN 0.718 nan 8.310 nan 0.000 0.532 65 V N 1.605 121.657 119.914 0.230 0.000 2.867 65 V HA -0.135 3.985 4.120 -0.000 0.000 0.260 65 V C 2.113 178.361 176.094 0.256 0.000 1.099 65 V CA 1.392 63.817 62.300 0.208 0.000 1.122 65 V CB -0.744 31.226 31.823 0.246 0.000 0.708 65 V HN 0.459 nan 8.190 nan 0.000 0.490 66 S N -0.241 115.619 115.700 0.266 0.000 2.399 66 S HA -0.218 4.252 4.470 -0.000 0.000 0.231 66 S C 1.913 176.699 174.600 0.310 0.000 1.022 66 S CA 1.231 59.609 58.200 0.297 0.000 0.983 66 S CB -0.253 63.044 63.200 0.162 0.000 0.803 66 S HN 0.636 nan 8.310 nan 0.000 0.480 67 K N 0.932 121.466 120.400 0.222 0.000 2.281 67 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 67 K C 2.396 179.053 176.600 0.095 0.000 1.046 67 K CA 1.624 58.022 56.287 0.185 0.000 0.938 67 K CB -0.518 32.112 32.500 0.215 0.000 0.737 67 K HN 0.631 nan 8.250 nan 0.000 0.458 68 T N -1.412 113.112 114.554 -0.049 0.000 2.904 68 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 68 T C 1.739 176.483 174.700 0.072 0.000 1.059 68 T CA 0.707 62.585 62.100 -0.369 0.000 1.137 68 T CB -0.335 67.863 68.868 -1.116 0.000 0.879 68 T HN 0.034 nan 8.240 nan 0.000 0.467 69 F N 2.105 122.160 119.950 0.175 0.000 2.206 69 F HA 0.056 4.583 4.527 -0.000 0.000 0.298 69 F C 2.976 178.856 175.800 0.133 0.000 1.090 69 F CA 1.267 59.334 58.000 0.113 0.000 1.323 69 F CB -0.942 37.971 39.000 -0.144 0.000 1.028 69 F HN 0.136 nan 8.300 nan 0.000 0.492 70 T N -0.630 114.133 114.554 0.350 0.000 2.777 70 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 70 T C 2.371 177.262 174.700 0.319 0.000 1.040 70 T CA 1.310 63.619 62.100 0.348 0.000 1.141 70 T CB -0.961 68.120 68.868 0.355 0.000 0.868 70 T HN 0.426 nan 8.240 nan 0.000 0.444 71 G N 1.147 110.106 108.800 0.264 0.000 2.446 71 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 71 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 71 G C 1.690 176.751 174.900 0.269 0.000 1.168 71 G CA 0.898 46.148 45.100 0.250 0.000 0.771 71 G HN 0.429 nan 8.290 nan 0.000 0.551 72 V N 0.589 120.664 119.914 0.268 0.000 2.427 72 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 72 V C 2.673 178.879 176.094 0.187 0.000 1.051 72 V CA 1.529 63.987 62.300 0.264 0.000 1.048 72 V CB -0.312 31.746 31.823 0.392 0.000 0.666 72 V HN 0.341 nan 8.190 nan 0.000 0.456 73 L N 1.268 122.579 121.223 0.147 0.000 2.093 73 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 73 L C 2.302 179.180 176.870 0.012 0.000 1.085 73 L CA 2.362 57.210 54.840 0.013 0.000 0.755 73 L CB -1.229 40.759 42.059 -0.118 0.000 0.904 73 L HN 0.256 nan 8.230 nan 0.000 0.435 74 G N -1.132 107.728 108.800 0.100 0.000 2.402 74 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 74 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 74 G C 1.537 176.539 174.900 0.170 0.000 1.162 74 G CA 0.505 45.667 45.100 0.103 0.000 0.777 74 G HN 0.574 nan 8.290 nan 0.000 0.539 75 G N 0.680 109.600 108.800 0.200 0.000 2.442 75 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.219 75 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.219 75 G C 1.456 176.413 174.900 0.094 0.000 1.141 75 G CA 1.432 46.627 45.100 0.157 0.000 0.763 75 G HN 0.506 nan 8.290 nan 0.000 0.554 76 D N 0.384 120.824 120.400 0.067 0.000 2.144 76 D HA 0.075 4.715 4.640 -0.000 0.000 0.200 76 D C 2.634 178.933 176.300 -0.002 0.000 0.978 76 D CA 1.334 55.349 54.000 0.026 0.000 0.833 76 D CB -0.247 40.557 40.800 0.006 0.000 0.961 76 D HN 0.249 nan 8.370 nan 0.000 0.470 77 A N -0.141 122.666 122.820 -0.023 0.000 1.968 77 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 77 A C 2.262 179.832 177.584 -0.023 0.000 1.169 77 A CA 0.722 52.726 52.037 -0.056 0.000 0.638 77 A CB -0.605 18.321 19.000 -0.125 0.000 0.812 77 A HN 0.360 nan 8.150 nan 0.000 0.446 78 I N -0.229 120.351 120.570 0.018 0.000 2.202 78 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 78 I C 2.928 179.066 176.117 0.035 0.000 1.091 78 I CA 1.027 62.353 61.300 0.043 0.000 1.368 78 I CB -0.320 37.731 38.000 0.085 0.000 1.058 78 I HN 0.326 nan 8.210 nan 0.000 0.410 79 A N 0.774 123.614 122.820 0.033 0.000 1.978 79 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 79 A C 2.283 179.874 177.584 0.012 0.000 1.170 79 A CA 1.448 53.499 52.037 0.024 0.000 0.636 79 A CB -0.559 18.455 19.000 0.023 0.000 0.810 79 A HN 0.363 nan 8.150 nan 0.000 0.448 80 R N -1.477 119.025 120.500 0.003 0.000 2.313 80 R HA 0.185 4.525 4.340 -0.000 0.000 0.199 80 R C 1.244 177.545 176.300 0.001 0.000 0.958 80 R CA 0.500 56.597 56.100 -0.005 0.000 1.047 80 R CB -0.126 30.161 30.300 -0.021 0.000 0.955 80 R HN 0.671 nan 8.270 nan 0.000 0.481 81 G N 1.360 110.167 108.800 0.011 0.000 2.160 81 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.251 81 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.251 81 G C 0.484 175.398 174.900 0.024 0.000 1.008 81 G CA 0.549 45.662 45.100 0.022 0.000 0.724 81 G HN 0.462 nan 8.290 nan 0.000 0.514 82 E N -0.700 119.501 120.200 0.003 0.000 2.190 82 E HA 0.273 4.623 4.350 -0.000 0.000 0.191 82 E C 1.481 178.079 176.600 -0.003 0.000 0.978 82 E CA 1.113 57.509 56.400 -0.008 0.000 0.839 82 E CB 0.280 29.946 29.700 -0.058 0.000 0.787 82 E HN 0.910 nan 8.360 nan 0.000 0.473 83 I N -2.444 118.113 120.570 -0.020 0.000 3.102 83 I HA 0.489 4.659 4.170 -0.000 0.000 0.310 83 I C -1.552 174.614 176.117 0.080 0.000 1.246 83 I CA -1.308 59.985 61.300 -0.012 0.000 0.979 83 I CB 2.320 40.156 38.000 -0.274 0.000 1.267 83 I HN -0.337 nan 8.210 nan 0.000 0.451 84 K N 2.820 123.315 120.400 0.159 0.000 2.427 84 K HA 0.510 4.830 4.320 -0.000 0.000 0.252 84 K C -0.010 176.684 176.600 0.157 0.000 0.931 84 K CA -0.774 55.596 56.287 0.139 0.000 0.793 84 K CB 2.958 35.538 32.500 0.132 0.000 1.211 84 K HN 0.600 nan 8.250 nan 0.000 0.426 85 L N 1.047 122.337 121.223 0.113 0.000 2.362 85 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 85 L C 1.875 178.778 176.870 0.055 0.000 1.134 85 L CA 1.183 56.066 54.840 0.072 0.000 0.807 85 L CB -0.259 41.789 42.059 -0.018 0.000 0.927 85 L HN 0.718 nan 8.230 nan 0.000 0.447 86 S N -2.758 112.986 115.700 0.072 0.000 2.527 86 S HA 0.015 4.485 4.470 -0.000 0.000 0.222 86 S C 0.594 175.250 174.600 0.092 0.000 0.985 86 S CA -0.267 57.969 58.200 0.060 0.000 0.921 86 S CB -0.267 62.966 63.200 0.056 0.000 0.772 86 S HN 0.219 nan 8.310 nan 0.000 0.529 87 D N 3.975 124.460 120.400 0.142 0.000 2.341 87 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 87 D C -2.389 174.016 176.300 0.174 0.000 1.106 87 D CA -1.586 52.508 54.000 0.156 0.000 0.905 87 D CB 0.761 41.699 40.800 0.231 0.000 1.202 87 D HN 0.189 nan 8.370 nan 0.000 0.426 88 P HA 0.038 nan 4.420 nan 0.000 0.275 88 P C 0.539 177.956 177.300 0.194 0.000 1.228 88 P CA -0.222 62.978 63.100 0.166 0.000 0.786 88 P CB 0.762 32.534 31.700 0.120 0.000 0.927 89 T N 1.156 115.875 114.554 0.276 0.000 2.737 89 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 89 T C 1.622 176.440 174.700 0.196 0.000 1.040 89 T CA 2.144 64.419 62.100 0.291 0.000 1.142 89 T CB -0.941 68.146 68.868 0.365 0.000 0.861 89 T HN 0.514 nan 8.240 nan 0.000 0.456 90 T N 1.404 116.038 114.554 0.134 0.000 2.977 90 T HA -0.053 4.297 4.350 -0.000 0.000 0.271 90 T C 1.814 176.505 174.700 -0.015 0.000 1.105 90 T CA 0.921 63.052 62.100 0.052 0.000 1.116 90 T CB -0.131 68.762 68.868 0.042 0.000 0.878 90 T HN 0.461 nan 8.240 nan 0.000 0.509 91 K N 0.254 120.576 120.400 -0.130 0.000 2.211 91 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 91 K C 0.939 177.237 176.600 -0.503 0.000 1.050 91 K CA 1.206 57.268 56.287 -0.375 0.000 0.945 91 K CB -0.043 32.098 32.500 -0.599 0.000 0.732 91 K HN 0.412 nan 8.250 nan 0.000 0.451 92 Y N -2.291 118.055 120.300 0.076 0.000 2.467 92 Y HA 0.146 4.696 4.550 -0.000 0.000 0.250 92 Y C 0.019 175.982 175.900 0.104 0.000 1.155 92 Y CA -0.543 57.586 58.100 0.047 0.000 1.249 92 Y CB 0.548 39.005 38.460 -0.005 0.000 1.146 92 Y HN 0.123 nan 8.280 nan 0.000 0.524 93 W N 2.191 123.482 121.300 -0.015 0.000 1.949 93 W HA 0.413 5.073 4.660 -0.000 0.000 0.299 93 W C -2.474 173.992 176.519 -0.087 0.000 0.959 93 W CA -3.644 53.660 57.345 -0.067 0.000 1.665 93 W CB 0.914 30.290 29.460 -0.141 0.000 1.829 93 W HN -0.082 nan 8.180 nan 0.000 0.375 94 P HA -0.238 nan 4.420 nan 0.000 0.217 94 P C 1.231 178.492 177.300 -0.064 0.000 1.148 94 P CA 2.191 65.308 63.100 0.028 0.000 0.834 94 P CB 0.392 32.120 31.700 0.047 0.000 0.783 95 E N -1.088 119.052 120.200 -0.101 0.000 2.204 95 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 95 E C 0.591 176.893 176.600 -0.497 0.000 0.989 95 E CA 0.183 56.429 56.400 -0.256 0.000 0.824 95 E CB -0.413 29.166 29.700 -0.201 0.000 0.756 95 E HN 0.129 nan 8.360 nan 0.000 0.477 96 L N 2.192 122.953 121.223 -0.770 0.000 2.382 96 L HA 0.008 4.348 4.340 -0.000 0.000 0.259 96 L C 1.036 177.678 176.870 -0.380 0.000 1.291 96 L CA 0.576 54.928 54.840 -0.813 0.000 1.176 96 L CB -0.150 41.250 42.059 -1.100 0.000 1.373 96 L HN -0.038 nan 8.230 nan 0.000 0.426 97 T N -0.495 113.917 114.554 -0.236 0.000 3.065 97 T HA 0.326 4.675 4.350 -0.000 0.000 0.252 97 T C 0.948 175.655 174.700 0.011 0.000 1.099 97 T CA 0.215 62.266 62.100 -0.082 0.000 1.063 97 T CB -0.056 68.770 68.868 -0.070 0.000 0.948 97 T HN 0.541 nan 8.240 nan 0.000 0.506 98 A N 2.707 125.557 122.820 0.050 0.000 2.531 98 A HA 0.273 4.593 4.320 -0.000 0.000 0.236 98 A C 1.630 179.335 177.584 0.203 0.000 1.062 98 A CA -0.057 52.066 52.037 0.142 0.000 0.760 98 A CB 0.218 19.346 19.000 0.213 0.000 0.995 98 A HN 0.660 nan 8.150 nan 0.000 0.501 99 K N 1.702 122.166 120.400 0.107 0.000 2.211 99 K HA -0.239 4.081 4.320 -0.000 0.000 0.204 99 K C 1.439 178.072 176.600 0.055 0.000 1.047 99 K CA 1.592 57.923 56.287 0.074 0.000 0.935 99 K CB -0.092 32.423 32.500 0.025 0.000 0.728 99 K HN 0.802 nan 8.250 nan 0.000 0.452 100 Q N 0.341 120.151 119.800 0.017 0.000 2.437 100 Q HA -0.150 4.190 4.340 -0.000 0.000 0.210 100 Q C 0.806 176.683 176.000 -0.205 0.000 0.972 100 Q CA 1.079 56.794 55.803 -0.148 0.000 0.903 100 Q CB -0.381 28.171 28.738 -0.311 0.000 0.967 100 Q HN 0.596 nan 8.270 nan 0.000 0.486 101 W N 2.051 123.403 121.300 0.086 0.000 3.003 101 W HA 0.190 4.850 4.660 -0.000 0.000 0.257 101 W C 0.094 176.673 176.519 0.101 0.000 1.308 101 W CA -0.443 56.977 57.345 0.125 0.000 1.529 101 W CB 0.013 29.527 29.460 0.090 0.000 1.115 101 W HN 0.088 nan 8.180 nan 0.000 0.659 102 N N 0.500 119.317 118.700 0.196 0.000 2.447 102 N HA 0.264 5.004 4.740 -0.000 0.000 0.263 102 N C 1.108 176.693 175.510 0.127 0.000 1.226 102 N CA 0.949 54.088 53.050 0.148 0.000 0.906 102 N CB 0.443 38.987 38.487 0.095 0.000 1.060 102 N HN 0.182 nan 8.380 nan 0.000 0.468 103 G N 2.292 111.188 108.800 0.161 0.000 2.234 103 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 103 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 103 G C 0.204 175.263 174.900 0.264 0.000 0.997 103 G CA -0.518 44.688 45.100 0.176 0.000 0.623 103 G HN 0.533 nan 8.290 nan 0.000 0.514 104 I N 3.408 124.138 120.570 0.268 0.000 2.363 104 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 104 I C 1.353 177.759 176.117 0.482 0.000 1.075 104 I CA 0.460 61.992 61.300 0.387 0.000 1.333 104 I CB 0.672 38.816 38.000 0.241 0.000 1.415 104 I HN 0.368 nan 8.210 nan 0.000 0.502 105 T N 3.184 118.066 114.554 0.547 0.000 2.884 105 T HA 0.427 4.777 4.350 -0.000 0.000 0.277 105 T C 1.250 176.079 174.700 0.216 0.000 0.976 105 T CA -0.844 61.408 62.100 0.253 0.000 0.956 105 T CB 1.390 70.293 68.868 0.058 0.000 1.113 105 T HN 0.424 nan 8.240 nan 0.000 0.554 106 L N 0.194 121.536 121.223 0.198 0.000 2.131 106 L HA -0.004 4.335 4.340 -0.000 0.000 0.210 106 L C 2.585 179.458 176.870 0.005 0.000 1.092 106 L CA 0.932 55.908 54.840 0.226 0.000 0.759 106 L CB -0.803 41.454 42.059 0.330 0.000 0.903 106 L HN 0.611 nan 8.230 nan 0.000 0.435 107 L N -0.310 120.854 121.223 -0.097 0.000 2.012 107 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 107 L C 2.387 179.181 176.870 -0.125 0.000 1.073 107 L CA 1.959 56.666 54.840 -0.222 0.000 0.748 107 L CB -0.606 41.332 42.059 -0.201 0.000 0.891 107 L HN 0.230 nan 8.230 nan 0.000 0.431 108 H N -0.981 118.142 119.070 0.089 0.000 2.290 108 H HA -0.170 4.386 4.556 -0.000 0.000 0.298 108 H C 2.253 177.580 175.328 -0.002 0.000 1.087 108 H CA 1.862 57.957 56.048 0.078 0.000 1.291 108 H CB -0.236 29.597 29.762 0.119 0.000 1.369 108 H HN 0.311 nan 8.280 nan 0.000 0.492 109 L N 0.185 121.501 121.223 0.154 0.000 1.989 109 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 109 L C 2.840 179.660 176.870 -0.083 0.000 1.071 109 L CA 0.978 55.881 54.840 0.105 0.000 0.749 109 L CB -0.558 41.625 42.059 0.206 0.000 0.890 109 L HN 0.362 nan 8.230 nan 0.000 0.431 110 A N -0.425 122.177 122.820 -0.365 0.000 2.019 110 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 110 A C 2.025 179.223 177.584 -0.643 0.000 1.164 110 A CA 2.040 53.608 52.037 -0.782 0.000 0.644 110 A CB -0.699 17.335 19.000 -1.609 0.000 0.805 110 A HN 0.548 nan 8.150 nan 0.000 0.449 111 T N -6.183 108.103 114.554 -0.447 0.000 3.174 111 T HA 0.334 4.684 4.350 -0.000 0.000 0.269 111 T C 0.299 174.792 174.700 -0.345 0.000 1.017 111 T CA 0.201 62.043 62.100 -0.431 0.000 0.899 111 T CB -0.853 68.019 68.868 0.007 0.000 1.077 111 T HN 0.673 nan 8.240 nan 0.000 0.552 112 Y N 1.007 121.304 120.300 -0.004 0.000 4.177 112 Y HA -0.285 4.265 4.550 -0.000 0.000 0.227 112 Y C 1.188 177.064 175.900 -0.041 0.000 1.154 112 Y CA 0.548 58.649 58.100 0.000 0.000 1.887 112 Y CB -2.931 35.548 38.460 0.032 0.000 1.594 112 Y HN 0.596 nan 8.280 nan 0.000 0.668 113 T N -4.138 110.422 114.554 0.010 0.000 3.215 113 T HA 0.672 5.022 4.350 -0.000 0.000 0.271 113 T C 1.308 175.972 174.700 -0.059 0.000 1.012 113 T CA 0.121 62.135 62.100 -0.143 0.000 0.899 113 T CB 0.822 69.350 68.868 -0.567 0.000 1.089 113 T HN 0.470 nan 8.240 nan 0.000 0.552 114 A N 1.296 124.143 122.820 0.046 0.000 2.066 114 A HA 0.576 4.896 4.320 -0.000 0.000 0.218 114 A C 1.914 179.544 177.584 0.076 0.000 1.157 114 A CA 0.710 52.746 52.037 -0.000 0.000 0.670 114 A CB -0.741 18.275 19.000 0.026 0.000 0.804 114 A HN 1.454 nan 8.150 nan 0.000 0.453 115 G N -3.426 105.511 108.800 0.229 0.000 2.165 115 G HA2 0.410 4.370 3.960 -0.000 0.000 0.144 115 G HA3 0.410 4.370 3.960 -0.000 0.000 0.144 115 G C 0.971 176.187 174.900 0.527 0.000 1.049 115 G CA 0.408 45.739 45.100 0.384 0.000 0.741 115 G HN 1.935 nan 8.290 nan 0.000 0.493 116 G N -0.797 108.342 108.800 0.565 0.000 2.143 116 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.175 116 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.175 116 G C 0.435 175.617 174.900 0.469 0.000 1.004 116 G CA -0.064 45.313 45.100 0.463 0.000 0.671 116 G HN 1.160 nan 8.290 nan 0.000 0.512 117 L N 2.434 123.791 121.223 0.222 0.000 2.525 117 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 117 L C -0.887 176.052 176.870 0.115 0.000 1.218 117 L CA -1.144 53.613 54.840 -0.138 0.000 0.878 117 L CB 0.385 42.294 42.059 -0.250 0.000 1.127 117 L HN 0.085 nan 8.230 nan 0.000 0.492 118 P HA -0.077 nan 4.420 nan 0.000 0.268 118 P C 0.554 177.927 177.300 0.122 0.000 1.205 118 P CA -0.433 62.775 63.100 0.180 0.000 0.771 118 P CB 1.031 32.873 31.700 0.238 0.000 0.858 119 L N 2.869 124.149 121.223 0.095 0.000 2.021 119 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 119 L C 0.870 177.762 176.870 0.038 0.000 1.074 119 L CA 2.023 56.893 54.840 0.050 0.000 0.760 119 L CB -0.991 41.112 42.059 0.073 0.000 0.889 119 L HN 0.465 nan 8.230 nan 0.000 0.433 120 Q N -0.982 118.844 119.800 0.043 0.000 2.345 120 Q HA 0.493 4.833 4.340 -0.000 0.000 0.268 120 Q C -0.955 175.023 176.000 -0.037 0.000 1.054 120 Q CA -1.014 54.798 55.803 0.015 0.000 0.835 120 Q CB 2.521 31.256 28.738 -0.005 0.000 1.339 120 Q HN -0.044 nan 8.270 nan 0.000 0.447 121 V N 3.554 123.419 119.914 -0.081 0.000 2.455 121 V HA 0.157 4.277 4.120 -0.000 0.000 0.273 121 V C -2.044 173.863 176.094 -0.312 0.000 1.045 121 V CA -1.444 60.668 62.300 -0.313 0.000 0.976 121 V CB 0.396 32.096 31.823 -0.205 0.000 0.993 121 V HN 0.652 nan 8.190 nan 0.000 0.475 122 P HA -0.044 nan 4.420 nan 0.000 0.263 122 P C 0.697 177.891 177.300 -0.178 0.000 1.168 122 P CA 0.222 63.170 63.100 -0.254 0.000 0.759 122 P CB 0.463 32.000 31.700 -0.272 0.000 0.782 123 D N 1.974 122.319 120.400 -0.092 0.000 2.218 123 D HA -0.148 4.491 4.640 -0.000 0.000 0.204 123 D C 1.142 177.414 176.300 -0.047 0.000 0.976 123 D CA 1.310 55.279 54.000 -0.051 0.000 0.853 123 D CB 0.172 40.959 40.800 -0.023 0.000 0.939 123 D HN 0.477 nan 8.370 nan 0.000 0.481 124 E N -0.329 119.838 120.200 -0.055 0.000 2.347 124 E HA -0.009 4.340 4.350 -0.000 0.000 0.196 124 E C 0.453 177.028 176.600 -0.041 0.000 1.008 124 E CA -0.016 56.363 56.400 -0.035 0.000 0.852 124 E CB 0.336 30.022 29.700 -0.023 0.000 0.783 124 E HN 0.000 nan 8.360 nan 0.000 0.505 125 V N 1.053 120.916 119.914 -0.085 0.000 2.439 125 V HA 0.255 4.375 4.120 -0.000 0.000 0.271 125 V C 0.958 177.026 176.094 -0.043 0.000 1.040 125 V CA 1.010 63.263 62.300 -0.079 0.000 1.002 125 V CB 0.570 32.275 31.823 -0.197 0.000 1.000 125 V HN 0.311 nan 8.190 nan 0.000 0.477 126 K N 3.867 124.263 120.400 -0.007 0.000 2.448 126 K HA 0.335 4.655 4.320 -0.000 0.000 0.220 126 K C 1.206 177.815 176.600 0.016 0.000 1.259 126 K CA 0.667 56.956 56.287 0.003 0.000 0.810 126 K CB -0.391 32.113 32.500 0.007 0.000 1.540 126 K HN 0.749 nan 8.250 nan 0.000 0.434 127 S N 0.738 116.455 115.700 0.028 0.000 2.617 127 S HA 0.166 4.636 4.470 -0.000 0.000 0.259 127 S C 1.315 175.951 174.600 0.061 0.000 1.301 127 S CA 0.288 58.511 58.200 0.037 0.000 0.984 127 S CB 1.313 64.537 63.200 0.039 0.000 0.954 127 S HN 0.399 nan 8.310 nan 0.000 0.572 128 S N 1.067 116.806 115.700 0.065 0.000 2.399 128 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 128 S C 2.147 176.840 174.600 0.156 0.000 1.022 128 S CA 1.342 59.602 58.200 0.102 0.000 0.983 128 S CB -0.735 62.512 63.200 0.080 0.000 0.803 128 S HN 0.716 nan 8.310 nan 0.000 0.480 129 S N 1.944 117.713 115.700 0.115 0.000 2.356 129 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 129 S C 1.548 176.223 174.600 0.125 0.000 1.032 129 S CA 1.288 59.556 58.200 0.112 0.000 1.005 129 S CB -0.511 62.733 63.200 0.075 0.000 0.867 129 S HN 0.463 nan 8.310 nan 0.000 0.449 130 D N 1.183 121.648 120.400 0.108 0.000 2.149 130 D HA -0.061 4.578 4.640 -0.000 0.000 0.198 130 D C 1.871 178.274 176.300 0.172 0.000 0.990 130 D CA 0.549 54.614 54.000 0.108 0.000 0.839 130 D CB -0.439 40.399 40.800 0.063 0.000 0.948 130 D HN 0.179 nan 8.370 nan 0.000 0.460 131 L N 0.483 121.834 121.223 0.213 0.000 1.994 131 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 131 L C 2.170 179.340 176.870 0.501 0.000 1.071 131 L CA 1.194 56.246 54.840 0.353 0.000 0.745 131 L CB -0.666 41.605 42.059 0.352 0.000 0.892 131 L HN 0.026 nan 8.230 nan 0.000 0.431 132 L N -0.333 121.155 121.223 0.441 0.000 2.046 132 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 132 L C 2.692 179.602 176.870 0.065 0.000 1.077 132 L CA 1.948 56.911 54.840 0.206 0.000 0.747 132 L CB -0.724 41.412 42.059 0.128 0.000 0.896 132 L HN 0.340 nan 8.230 nan 0.000 0.432 133 R N -1.432 119.138 120.500 0.117 0.000 2.096 133 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 133 R C 2.322 178.696 176.300 0.124 0.000 1.127 133 R CA 1.762 57.916 56.100 0.090 0.000 0.968 133 R CB -0.577 29.780 30.300 0.096 0.000 0.861 133 R HN 0.464 nan 8.270 nan 0.000 0.440 134 F N 0.424 120.382 119.950 0.013 0.000 2.102 134 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 134 F C 1.375 177.161 175.800 -0.024 0.000 1.105 134 F CA 1.410 59.379 58.000 -0.052 0.000 1.239 134 F CB -0.643 38.250 39.000 -0.179 0.000 0.991 134 F HN -0.017 nan 8.300 nan 0.000 0.474 135 Y N 0.593 120.779 120.300 -0.191 0.000 2.293 135 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 135 Y C 2.580 178.527 175.900 0.077 0.000 1.137 135 Y CA 1.393 59.383 58.100 -0.182 0.000 1.202 135 Y CB -0.843 37.473 38.460 -0.241 0.000 0.990 135 Y HN 0.156 nan 8.280 nan 0.000 0.537 136 Q N -0.111 119.729 119.800 0.067 0.000 2.230 136 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 136 Q C 1.214 177.306 176.000 0.154 0.000 0.963 136 Q CA 1.178 57.029 55.803 0.081 0.000 0.866 136 Q CB -0.364 28.349 28.738 -0.041 0.000 0.931 136 Q HN 0.682 nan 8.270 nan 0.000 0.452 137 N N -0.975 117.792 118.700 0.113 0.000 2.356 137 N HA -0.038 4.702 4.740 -0.000 0.000 0.178 137 N C 0.007 175.572 175.510 0.091 0.000 1.075 137 N CA -0.415 52.685 53.050 0.084 0.000 0.889 137 N CB 0.224 38.754 38.487 0.071 0.000 0.999 137 N HN 0.141 nan 8.380 nan 0.000 0.464 138 W N 3.233 124.471 121.300 -0.102 0.000 2.295 138 W HA 0.004 4.663 4.660 -0.000 0.000 0.335 138 W C -0.515 175.935 176.519 -0.114 0.000 1.351 138 W CA 0.192 57.450 57.345 -0.143 0.000 1.273 138 W CB 0.518 29.847 29.460 -0.218 0.000 1.214 138 W HN -0.063 nan 8.180 nan 0.000 0.563 139 Q N 8.556 127.861 119.800 -0.825 0.000 2.333 139 Q HA 0.316 4.656 4.340 -0.000 0.000 0.268 139 Q C -1.994 173.140 176.000 -1.443 0.000 1.007 139 Q CA -2.066 53.173 55.803 -0.939 0.000 0.810 139 Q CB 1.309 29.756 28.738 -0.485 0.000 1.264 139 Q HN 0.397 nan 8.270 nan 0.000 0.452 140 P HA 0.057 nan 4.420 nan 0.000 0.269 140 P C -0.292 176.576 177.300 -0.720 0.000 1.215 140 P CA 0.077 62.442 63.100 -1.226 0.000 0.780 140 P CB 0.969 32.117 31.700 -0.920 0.000 0.898 141 A N 1.946 124.350 122.820 -0.693 0.000 2.095 141 A HA 0.172 4.492 4.320 -0.000 0.000 0.212 141 A C 0.386 177.261 177.584 -1.182 0.000 1.162 141 A CA 0.493 51.882 52.037 -1.080 0.000 0.753 141 A CB -0.099 17.861 19.000 -1.733 0.000 0.840 141 A HN 0.586 nan 8.150 nan 0.000 0.468 142 W N -2.693 118.550 121.300 -0.095 0.000 3.018 142 W HA 0.644 5.304 4.660 -0.000 0.000 0.352 142 W C -0.111 176.344 176.519 -0.107 0.000 1.230 142 W CA -1.211 56.083 57.345 -0.084 0.000 1.162 142 W CB 0.905 30.333 29.460 -0.054 0.000 1.483 142 W HN 0.101 nan 8.180 nan 0.000 0.584 143 A N 3.301 126.215 122.820 0.156 0.000 2.407 143 A HA 0.521 4.841 4.320 -0.000 0.000 0.248 143 A C -2.002 175.586 177.584 0.007 0.000 1.082 143 A CA -0.943 51.116 52.037 0.037 0.000 0.785 143 A CB -0.637 18.385 19.000 0.037 0.000 1.020 143 A HN 0.149 nan 8.150 nan 0.000 0.489 144 P HA 0.180 nan 4.420 nan 0.000 0.269 144 P C 0.713 177.873 177.300 -0.233 0.000 1.209 144 P CA 1.455 64.379 63.100 -0.292 0.000 0.776 144 P CB 0.633 32.052 31.700 -0.469 0.000 0.876 145 G N 1.998 110.620 108.800 -0.297 0.000 2.176 145 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 145 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 145 G C 0.592 175.419 174.900 -0.121 0.000 1.024 145 G CA 0.689 45.753 45.100 -0.059 0.000 0.755 145 G HN 0.758 nan 8.290 nan 0.000 0.507 146 T N -4.975 109.481 114.554 -0.164 0.000 2.987 146 T HA 0.439 4.789 4.350 -0.000 0.000 0.248 146 T C 0.599 175.141 174.700 -0.264 0.000 0.997 146 T CA 0.782 62.800 62.100 -0.136 0.000 1.013 146 T CB 0.654 69.487 68.868 -0.058 0.000 1.077 146 T HN 0.295 nan 8.240 nan 0.000 0.483 147 Q N 0.848 120.454 119.800 -0.323 0.000 2.413 147 Q HA 0.504 4.844 4.340 -0.000 0.000 0.276 147 Q C -1.304 174.513 176.000 -0.305 0.000 1.099 147 Q CA -0.623 54.915 55.803 -0.442 0.000 0.814 147 Q CB 3.048 31.229 28.738 -0.928 0.000 1.379 147 Q HN 0.364 nan 8.270 nan 0.000 0.436 148 R N 1.916 122.269 120.500 -0.245 0.000 2.310 148 R HA 0.497 4.837 4.340 -0.000 0.000 0.324 148 R C -1.370 174.932 176.300 0.003 0.000 0.955 148 R CA -0.608 55.440 56.100 -0.087 0.000 0.830 148 R CB 0.472 30.748 30.300 -0.039 0.000 1.154 148 R HN 0.442 nan 8.270 nan 0.000 0.458 149 L N 6.032 127.320 121.223 0.109 0.000 2.345 149 L HA 0.280 4.620 4.340 -0.000 0.000 0.274 149 L C -1.236 175.672 176.870 0.065 0.000 0.999 149 L CA -0.747 54.173 54.840 0.133 0.000 0.849 149 L CB 0.910 43.128 42.059 0.265 0.000 1.220 149 L HN 0.599 nan 8.230 nan 0.000 0.422 150 Y N 4.928 125.090 120.300 -0.230 0.000 2.881 150 Y HA 0.313 4.863 4.550 -0.000 0.000 0.335 150 Y C 0.047 175.709 175.900 -0.395 0.000 1.263 150 Y CA 0.957 58.648 58.100 -0.682 0.000 1.572 150 Y CB 0.345 38.533 38.460 -0.454 0.000 1.237 150 Y HN 0.836 nan 8.280 nan 0.000 0.568 151 A N 5.655 127.968 122.820 -0.846 0.000 2.513 151 A HA 0.287 4.607 4.320 -0.000 0.000 0.296 151 A C -0.111 177.370 177.584 -0.171 0.000 1.052 151 A CA -0.917 50.934 52.037 -0.309 0.000 0.714 151 A CB 0.886 19.883 19.000 -0.005 0.000 1.279 151 A HN 0.782 nan 8.150 nan 0.000 0.397 152 N N 1.096 119.734 118.700 -0.103 0.000 2.188 152 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 152 N C 1.945 177.522 175.510 0.111 0.000 1.018 152 N CA 1.967 55.038 53.050 0.034 0.000 0.858 152 N CB -0.104 38.459 38.487 0.126 0.000 0.989 152 N HN 0.826 nan 8.380 nan 0.000 0.426 153 S N -1.161 114.628 115.700 0.148 0.000 2.515 153 S HA 0.068 4.538 4.470 -0.000 0.000 0.231 153 S C 1.971 176.746 174.600 0.292 0.000 0.987 153 S CA 0.689 59.060 58.200 0.285 0.000 0.936 153 S CB 0.076 63.486 63.200 0.349 0.000 0.766 153 S HN 0.168 nan 8.310 nan 0.000 0.528 154 S N 1.327 117.148 115.700 0.202 0.000 2.310 154 S HA 0.265 4.735 4.470 -0.000 0.000 0.205 154 S C 1.604 176.305 174.600 0.170 0.000 1.020 154 S CA 0.397 58.712 58.200 0.190 0.000 0.939 154 S CB -0.568 62.780 63.200 0.246 0.000 0.919 154 S HN 0.531 nan 8.310 nan 0.000 0.501 155 I N 1.344 122.025 120.570 0.184 0.000 2.454 155 I HA -0.044 4.126 4.170 -0.000 0.000 0.254 155 I C 2.128 178.329 176.117 0.139 0.000 1.156 155 I CA 1.232 62.618 61.300 0.144 0.000 1.433 155 I CB -0.608 37.474 38.000 0.137 0.000 1.082 155 I HN 0.496 nan 8.210 nan 0.000 0.432 156 G N 0.929 109.779 108.800 0.083 0.000 2.440 156 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 156 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 156 G C 1.539 176.394 174.900 -0.074 0.000 1.154 156 G CA 0.878 45.958 45.100 -0.033 0.000 0.767 156 G HN 0.390 nan 8.290 nan 0.000 0.552 157 L N -0.324 120.904 121.223 0.009 0.000 2.141 157 L HA 0.170 4.510 4.340 -0.000 0.000 0.209 157 L C 2.383 179.210 176.870 -0.072 0.000 1.094 157 L CA 1.296 56.078 54.840 -0.097 0.000 0.763 157 L CB -0.640 41.306 42.059 -0.189 0.000 0.908 157 L HN 0.223 nan 8.230 nan 0.000 0.437 158 F N 0.465 120.355 119.950 -0.099 0.000 2.069 158 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 158 F C 2.224 177.965 175.800 -0.098 0.000 1.113 158 F CA 1.760 59.711 58.000 -0.082 0.000 1.214 158 F CB -1.119 37.846 39.000 -0.060 0.000 0.978 158 F HN 0.112 nan 8.300 nan 0.000 0.474 159 G N -0.147 108.529 108.800 -0.206 0.000 2.476 159 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 159 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 159 G C 1.831 176.557 174.900 -0.291 0.000 1.164 159 G CA 1.263 46.203 45.100 -0.267 0.000 0.768 159 G HN 0.688 nan 8.290 nan 0.000 0.560 160 A N 0.440 123.041 122.820 -0.365 0.000 1.898 160 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 160 A C 2.444 179.847 177.584 -0.301 0.000 1.181 160 A CA 1.338 53.183 52.037 -0.320 0.000 0.620 160 A CB -0.372 18.406 19.000 -0.370 0.000 0.819 160 A HN 0.362 nan 8.150 nan 0.000 0.442 161 L N -0.902 120.119 121.223 -0.337 0.000 2.217 161 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 161 L C 2.964 179.588 176.870 -0.411 0.000 1.107 161 L CA 0.773 55.429 54.840 -0.308 0.000 0.783 161 L CB -0.573 41.374 42.059 -0.188 0.000 0.919 161 L HN 0.424 nan 8.230 nan 0.000 0.442 162 A N 0.380 122.886 122.820 -0.523 0.000 1.972 162 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 162 A C 2.107 179.458 177.584 -0.389 0.000 1.169 162 A CA 1.757 53.438 52.037 -0.593 0.000 0.635 162 A CB -0.612 17.883 19.000 -0.842 0.000 0.810 162 A HN 0.342 nan 8.150 nan 0.000 0.446 163 V N -4.076 115.678 119.914 -0.268 0.000 3.649 163 V HA 0.101 4.221 4.120 -0.000 0.000 0.275 163 V C 1.638 177.638 176.094 -0.157 0.000 1.281 163 V CA 0.604 62.792 62.300 -0.186 0.000 1.143 163 V CB -0.375 31.375 31.823 -0.123 0.000 0.892 163 V HN 0.194 nan 8.190 nan 0.000 0.441 164 K N 1.737 122.031 120.400 -0.176 0.000 1.991 164 K HA -0.058 4.261 4.320 -0.000 0.000 0.212 164 K C 0.250 176.814 176.600 -0.059 0.000 1.049 164 K CA 2.171 58.394 56.287 -0.107 0.000 0.932 164 K CB -1.961 30.499 32.500 -0.066 0.000 0.717 164 K HN 0.455 nan 8.250 nan 0.000 0.441 165 P HA -0.153 nan 4.420 nan 0.000 0.216 165 P C 1.491 178.771 177.300 -0.032 0.000 1.150 165 P CA 1.829 64.925 63.100 -0.006 0.000 0.843 165 P CB -0.110 31.588 31.700 -0.004 0.000 0.787 166 S N -1.602 114.058 115.700 -0.068 0.000 2.474 166 S HA 0.049 4.519 4.470 -0.000 0.000 0.235 166 S C 1.914 176.479 174.600 -0.058 0.000 0.997 166 S CA 1.137 59.297 58.200 -0.067 0.000 0.949 166 S CB -1.468 61.676 63.200 -0.093 0.000 0.766 166 S HN 0.322 nan 8.310 nan 0.000 0.517 167 G N 0.673 109.439 108.800 -0.056 0.000 2.245 167 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 167 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 167 G C 0.087 174.953 174.900 -0.057 0.000 0.985 167 G CA 0.560 45.632 45.100 -0.047 0.000 0.625 167 G HN 0.579 nan 8.290 nan 0.000 0.536 168 L N 1.510 122.689 121.223 -0.074 0.000 2.466 168 L HA 0.546 4.886 4.340 -0.000 0.000 0.257 168 L C 1.508 178.331 176.870 -0.079 0.000 1.189 168 L CA -0.104 54.687 54.840 -0.081 0.000 0.813 168 L CB 0.940 42.935 42.059 -0.108 0.000 1.118 168 L HN 0.418 nan 8.230 nan 0.000 0.471 169 S N -0.331 115.326 115.700 -0.071 0.000 2.617 169 S HA 0.125 4.595 4.470 -0.000 0.000 0.269 169 S C 0.760 175.333 174.600 -0.045 0.000 1.292 169 S CA -0.568 57.606 58.200 -0.044 0.000 1.010 169 S CB 0.757 63.938 63.200 -0.032 0.000 0.944 169 S HN 0.525 nan 8.310 nan 0.000 0.536 170 F N 1.436 121.294 119.950 -0.153 0.000 2.065 170 F HA -0.156 4.370 4.527 -0.000 0.000 0.298 170 F C 2.510 178.198 175.800 -0.186 0.000 1.112 170 F CA 2.385 60.278 58.000 -0.178 0.000 1.212 170 F CB -0.546 38.350 39.000 -0.174 0.000 0.975 170 F HN 0.954 nan 8.300 nan 0.000 0.476 171 E N -0.521 119.632 120.200 -0.077 0.000 2.058 171 E HA -0.325 4.025 4.350 -0.000 0.000 0.194 171 E C 2.234 178.678 176.600 -0.258 0.000 0.997 171 E CA 1.462 57.758 56.400 -0.173 0.000 0.801 171 E CB -0.288 29.404 29.700 -0.012 0.000 0.746 171 E HN 0.412 nan 8.360 nan 0.000 0.450 172 Q N 0.328 120.020 119.800 -0.180 0.000 2.084 172 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 172 Q C 1.902 177.750 176.000 -0.253 0.000 0.978 172 Q CA 1.952 57.651 55.803 -0.173 0.000 0.844 172 Q CB -0.531 28.142 28.738 -0.109 0.000 0.898 172 Q HN 0.394 nan 8.270 nan 0.000 0.426 173 A N -0.246 122.396 122.820 -0.297 0.000 1.902 173 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 173 A C 2.069 179.379 177.584 -0.457 0.000 1.181 173 A CA 1.861 53.701 52.037 -0.329 0.000 0.623 173 A CB -0.589 18.219 19.000 -0.320 0.000 0.818 173 A HN 0.482 nan 8.150 nan 0.000 0.443 174 M N -0.136 119.058 119.600 -0.676 0.000 2.175 174 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 174 M C 2.088 177.790 176.300 -0.996 0.000 1.063 174 M CA 1.813 56.568 55.300 -0.909 0.000 1.119 174 M CB -0.461 31.422 32.600 -1.194 0.000 1.377 174 M HN 0.532 nan 8.290 nan 0.000 0.415 175 Q N -1.190 118.180 119.800 -0.717 0.000 2.049 175 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 175 Q C 1.927 177.752 176.000 -0.291 0.000 0.971 175 Q CA 2.103 57.621 55.803 -0.475 0.000 0.833 175 Q CB -0.440 28.145 28.738 -0.255 0.000 0.896 175 Q HN 0.730 nan 8.270 nan 0.000 0.434 176 T N -1.639 112.764 114.554 -0.252 0.000 3.014 176 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 176 T C 1.732 176.341 174.700 -0.151 0.000 1.078 176 T CA 0.464 62.464 62.100 -0.166 0.000 1.135 176 T CB 0.052 68.838 68.868 -0.138 0.000 0.895 176 T HN 0.123 nan 8.240 nan 0.000 0.480 177 R N -0.048 120.333 120.500 -0.199 0.000 2.237 177 R HA 0.361 4.701 4.340 -0.000 0.000 0.195 177 R C 1.691 177.928 176.300 -0.105 0.000 0.956 177 R CA 0.285 56.300 56.100 -0.143 0.000 1.029 177 R CB 0.330 30.537 30.300 -0.155 0.000 0.972 177 R HN 0.287 nan 8.270 nan 0.000 0.493 178 V N -0.795 119.018 119.914 -0.169 0.000 3.001 178 V HA 0.018 4.138 4.120 -0.000 0.000 0.228 178 V C 1.498 177.643 176.094 0.086 0.000 1.204 178 V CA 0.526 62.801 62.300 -0.042 0.000 1.247 178 V CB -0.395 31.367 31.823 -0.102 0.000 1.093 178 V HN -0.024 nan 8.190 nan 0.000 0.504 179 F N 1.510 121.384 119.950 -0.127 0.000 2.095 179 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 179 F C 2.613 178.323 175.800 -0.151 0.000 1.104 179 F CA 1.616 59.505 58.000 -0.184 0.000 1.232 179 F CB -1.228 37.559 39.000 -0.355 0.000 0.987 179 F HN 0.216 nan 8.300 nan 0.000 0.475 180 Q N -0.483 119.340 119.800 0.039 0.000 2.083 180 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 180 Q C -0.404 175.593 176.000 -0.005 0.000 0.969 180 Q CA 1.479 57.269 55.803 -0.021 0.000 0.838 180 Q CB -1.326 27.376 28.738 -0.059 0.000 0.900 180 Q HN 0.286 nan 8.270 nan 0.000 0.436 181 P HA -0.120 nan 4.420 nan 0.000 0.221 181 P C 0.640 177.961 177.300 0.036 0.000 1.150 181 P CA 1.084 64.192 63.100 0.012 0.000 0.800 181 P CB 0.102 31.809 31.700 0.011 0.000 0.787 182 L N -1.148 120.120 121.223 0.075 0.000 2.591 182 L HA 0.122 4.462 4.340 -0.000 0.000 0.228 182 L C 0.368 177.280 176.870 0.070 0.000 1.133 182 L CA 0.191 55.092 54.840 0.103 0.000 0.880 182 L CB -0.695 41.490 42.059 0.209 0.000 1.033 182 L HN -0.023 nan 8.230 nan 0.000 0.450 183 K N 0.989 121.406 120.400 0.028 0.000 3.096 183 K HA -0.168 4.151 4.320 -0.000 0.000 0.266 183 K C -0.372 176.208 176.600 -0.034 0.000 1.043 183 K CA 0.380 56.659 56.287 -0.013 0.000 0.758 183 K CB -1.803 30.694 32.500 -0.005 0.000 1.260 183 K HN 0.334 nan 8.250 nan 0.000 0.481 184 L N 1.359 122.546 121.223 -0.060 0.000 2.358 184 L HA 0.149 4.489 4.340 -0.000 0.000 0.274 184 L C 0.907 177.596 176.870 -0.301 0.000 1.136 184 L CA -0.559 54.194 54.840 -0.146 0.000 0.970 184 L CB 0.255 42.191 42.059 -0.204 0.000 1.314 184 L HN 0.137 nan 8.230 nan 0.000 0.427 185 N N 0.916 119.450 118.700 -0.276 0.000 2.449 185 N HA -0.007 4.733 4.740 -0.000 0.000 0.191 185 N C 0.383 175.449 175.510 -0.741 0.000 1.161 185 N CA 0.488 53.259 53.050 -0.464 0.000 0.863 185 N CB 0.160 38.407 38.487 -0.402 0.000 0.980 185 N HN 0.517 nan 8.380 nan 0.000 0.458 186 H N -0.937 118.018 119.070 -0.191 0.000 2.924 186 H HA 0.254 4.810 4.556 -0.000 0.000 0.229 186 H C -0.467 174.729 175.328 -0.219 0.000 1.345 186 H CA -0.128 55.882 56.048 -0.063 0.000 1.044 186 H CB 0.310 30.067 29.762 -0.009 0.000 2.221 186 H HN -0.144 nan 8.280 nan 0.000 0.574 187 T N 0.892 115.091 114.554 -0.592 0.000 2.841 187 T HA 0.357 4.707 4.350 -0.000 0.000 0.285 187 T C -0.786 173.177 174.700 -1.228 0.000 0.991 187 T CA -0.469 61.112 62.100 -0.865 0.000 0.966 187 T CB 1.454 69.594 68.868 -1.213 0.000 0.962 187 T HN 0.225 nan 8.240 nan 0.000 0.438 188 W N 1.695 122.657 121.300 -0.565 0.000 3.107 188 W HA 0.578 5.239 4.660 0.000 0.000 0.331 188 W C 0.598 176.980 176.519 -0.228 0.000 1.204 188 W CA -0.811 56.341 57.345 -0.322 0.000 1.184 188 W CB 1.106 30.407 29.460 -0.265 0.000 1.421 188 W HN 0.496 nan 8.180 nan 0.000 0.544 189 I N 1.486 122.171 120.570 0.191 0.000 2.731 189 I HA -0.011 4.159 4.170 -0.000 0.000 0.260 189 I C 0.213 176.364 176.117 0.057 0.000 1.138 189 I CA 0.836 62.192 61.300 0.093 0.000 1.461 189 I CB 0.041 38.108 38.000 0.112 0.000 1.128 189 I HN 0.257 nan 8.210 nan 0.000 0.438 190 N N 1.162 119.936 118.700 0.123 0.000 2.531 190 N HA 0.185 4.925 4.740 -0.000 0.000 0.268 190 N C -0.983 174.470 175.510 -0.094 0.000 1.023 190 N CA -0.137 52.918 53.050 0.009 0.000 0.896 190 N CB 2.707 41.205 38.487 0.018 0.000 1.233 190 N HN -0.165 nan 8.380 nan 0.000 0.512 191 V N 4.686 124.445 119.914 -0.258 0.000 2.485 191 V HA 0.231 4.351 4.120 -0.000 0.000 0.287 191 V C -1.784 173.984 176.094 -0.543 0.000 1.022 191 V CA -0.910 61.082 62.300 -0.513 0.000 1.067 191 V CB 0.312 31.793 31.823 -0.571 0.000 0.967 191 V HN 0.501 nan 8.190 nan 0.000 0.479 192 P HA 0.324 nan 4.420 nan 0.000 0.274 192 P C -2.388 174.690 177.300 -0.369 0.000 1.246 192 P CA -1.559 61.173 63.100 -0.614 0.000 0.795 192 P CB 0.474 31.655 31.700 -0.865 0.000 1.006 193 P HA -0.229 nan 4.420 nan 0.000 0.216 193 P C 1.548 178.771 177.300 -0.129 0.000 1.157 193 P CA 2.537 65.551 63.100 -0.142 0.000 0.880 193 P CB -0.570 31.067 31.700 -0.105 0.000 0.791 194 A N -0.472 122.261 122.820 -0.145 0.000 2.076 194 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 194 A C 1.962 179.491 177.584 -0.092 0.000 1.160 194 A CA 1.588 53.565 52.037 -0.099 0.000 0.653 194 A CB -0.791 18.157 19.000 -0.086 0.000 0.801 194 A HN 0.168 nan 8.150 nan 0.000 0.455 195 E N -1.075 119.031 120.200 -0.157 0.000 2.476 195 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 195 E C 1.405 177.956 176.600 -0.081 0.000 1.021 195 E CA 0.105 56.431 56.400 -0.122 0.000 0.907 195 E CB 0.063 29.632 29.700 -0.218 0.000 0.974 195 E HN 0.756 nan 8.360 nan 0.000 0.489 196 E N 1.664 121.821 120.200 -0.071 0.000 2.097 196 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 196 E C 1.936 178.549 176.600 0.021 0.000 1.000 196 E CA 1.921 58.322 56.400 0.001 0.000 0.804 196 E CB -0.031 29.664 29.700 -0.008 0.000 0.740 196 E HN 0.210 nan 8.360 nan 0.000 0.454 197 K N -0.158 120.246 120.400 0.006 0.000 2.360 197 K HA -0.118 4.202 4.320 -0.000 0.000 0.201 197 K C 1.085 177.699 176.600 0.022 0.000 1.046 197 K CA 1.779 58.076 56.287 0.018 0.000 0.945 197 K CB -0.097 32.410 32.500 0.013 0.000 0.750 197 K HN 0.089 nan 8.250 nan 0.000 0.464 198 N N -0.515 118.195 118.700 0.017 0.000 2.282 198 N HA -0.005 4.735 4.740 -0.000 0.000 0.185 198 N C -0.721 174.816 175.510 0.045 0.000 1.099 198 N CA -0.386 52.673 53.050 0.015 0.000 0.878 198 N CB 0.249 38.728 38.487 -0.013 0.000 0.993 198 N HN 0.195 nan 8.380 nan 0.000 0.481 199 Y N 2.477 122.695 120.300 -0.137 0.000 2.624 199 Y HA 0.264 4.814 4.550 -0.000 0.000 0.354 199 Y C 0.309 176.096 175.900 -0.187 0.000 1.051 199 Y CA -1.337 56.643 58.100 -0.199 0.000 1.377 199 Y CB 0.102 38.400 38.460 -0.271 0.000 1.168 199 Y HN -0.002 nan 8.280 nan 0.000 0.525 200 A N 6.234 129.119 122.820 0.109 0.000 2.425 200 A HA 0.034 4.354 4.320 -0.000 0.000 0.242 200 A C -1.044 176.576 177.584 0.061 0.000 1.077 200 A CA -0.238 51.813 52.037 0.024 0.000 0.781 200 A CB 0.301 19.240 19.000 -0.102 0.000 1.020 200 A HN 0.934 nan 8.150 nan 0.000 0.494 201 W N 0.403 121.732 121.300 0.049 0.000 2.313 201 W HA 0.499 5.159 4.660 -0.000 0.000 0.328 201 W C 0.840 177.124 176.519 -0.391 0.000 1.197 201 W CA 0.360 57.555 57.345 -0.249 0.000 1.235 201 W CB 1.306 30.434 29.460 -0.553 0.000 1.158 201 W HN 0.925 nan 8.180 nan 0.000 0.578 202 G N 1.140 109.810 108.800 -0.216 0.000 2.451 202 G HA2 0.530 4.490 3.960 -0.000 0.000 0.303 202 G HA3 0.530 4.490 3.960 -0.000 0.000 0.303 202 G C -2.178 172.373 174.900 -0.583 0.000 1.166 202 G CA -0.476 44.191 45.100 -0.722 0.000 0.884 202 G HN 0.416 nan 8.290 nan 0.000 0.514 203 Y N -0.299 119.901 120.300 -0.168 0.000 2.361 203 Y HA 0.565 5.115 4.550 -0.000 0.000 0.337 203 Y C 0.428 176.311 175.900 -0.029 0.000 0.965 203 Y CA -0.800 57.262 58.100 -0.062 0.000 1.091 203 Y CB 2.435 40.869 38.460 -0.043 0.000 1.182 203 Y HN 0.521 nan 8.280 nan 0.000 0.450 204 R N 3.102 123.660 120.500 0.096 0.000 2.500 204 R HA 0.289 4.629 4.340 -0.000 0.000 0.299 204 R C -0.904 175.435 176.300 0.064 0.000 1.038 204 R CA -0.284 55.861 56.100 0.075 0.000 0.903 204 R CB 0.598 30.928 30.300 0.051 0.000 1.177 204 R HN 0.765 nan 8.270 nan 0.000 0.455 205 E N 2.804 123.044 120.200 0.066 0.000 2.416 205 E HA -0.215 4.135 4.350 -0.000 0.000 0.249 205 E C 0.564 177.195 176.600 0.052 0.000 1.124 205 E CA 1.186 57.614 56.400 0.046 0.000 0.732 205 E CB -1.541 28.177 29.700 0.029 0.000 1.286 205 E HN 1.192 nan 8.360 nan 0.000 0.394 206 G N -0.580 108.274 108.800 0.090 0.000 2.302 206 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.263 206 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.263 206 G C 0.303 175.299 174.900 0.160 0.000 0.995 206 G CA 1.017 46.183 45.100 0.110 0.000 0.622 206 G HN 0.179 nan 8.290 nan 0.000 0.538 207 K N 1.212 121.659 120.400 0.077 0.000 2.297 207 K HA 0.635 4.955 4.320 -0.000 0.000 0.286 207 K C 0.530 177.040 176.600 -0.149 0.000 1.053 207 K CA 0.317 56.588 56.287 -0.026 0.000 0.940 207 K CB 1.232 33.702 32.500 -0.050 0.000 1.019 207 K HN 0.680 nan 8.250 nan 0.000 0.475 208 A N 3.264 125.867 122.820 -0.361 0.000 2.396 208 A HA 0.373 4.693 4.320 -0.000 0.000 0.279 208 A C 0.295 177.607 177.584 -0.453 0.000 1.165 208 A CA -0.483 51.100 52.037 -0.757 0.000 0.824 208 A CB -0.243 18.124 19.000 -1.055 0.000 1.100 208 A HN 0.531 nan 8.150 nan 0.000 0.516 209 V N 0.951 120.759 119.914 -0.176 0.000 3.141 209 V HA 0.755 4.875 4.120 -0.000 0.000 0.312 209 V C -0.575 175.698 176.094 0.299 0.000 1.157 209 V CA -0.872 61.480 62.300 0.085 0.000 1.041 209 V CB 1.508 33.366 31.823 0.058 0.000 1.071 209 V HN 0.920 nan 8.190 nan 0.000 0.441 210 H N -0.565 118.665 119.070 0.267 0.000 2.895 210 H HA 0.642 5.198 4.556 -0.000 0.000 0.373 210 H C -0.853 174.593 175.328 0.195 0.000 1.174 210 H CA -0.875 55.288 56.048 0.191 0.000 1.144 210 H CB 2.335 32.083 29.762 -0.022 0.000 1.793 210 H HN 0.808 nan 8.280 nan 0.000 0.551 211 V N 2.502 122.610 119.914 0.324 0.000 2.673 211 V HA 0.012 4.132 4.120 -0.000 0.000 0.303 211 V C -0.255 175.960 176.094 0.202 0.000 1.046 211 V CA 0.260 62.701 62.300 0.235 0.000 1.126 211 V CB 0.742 32.702 31.823 0.228 0.000 0.934 211 V HN 0.753 nan 8.190 nan 0.000 0.487 212 S N 7.567 123.366 115.700 0.165 0.000 2.562 212 S HA 0.486 4.956 4.470 -0.000 0.000 0.275 212 S C -2.233 172.457 174.600 0.151 0.000 1.281 212 S CA -0.746 57.537 58.200 0.138 0.000 1.045 212 S CB 1.044 64.305 63.200 0.101 0.000 0.962 212 S HN 0.822 nan 8.310 nan 0.000 0.503 213 P HA 0.493 nan 4.420 nan 0.000 0.271 213 P C 0.049 177.411 177.300 0.104 0.000 1.233 213 P CA -0.015 63.144 63.100 0.098 0.000 0.789 213 P CB 0.357 32.094 31.700 0.061 0.000 0.951 214 G N -1.010 107.842 108.800 0.086 0.000 2.489 214 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 214 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 214 G C -1.496 173.418 174.900 0.023 0.000 1.487 214 G CA -0.249 44.899 45.100 0.080 0.000 0.795 214 G HN 0.503 nan 8.290 nan 0.000 0.513 215 A N 0.306 123.125 122.820 -0.001 0.000 2.511 215 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 215 A C 1.490 179.035 177.584 -0.064 0.000 1.069 215 A CA 0.708 52.724 52.037 -0.034 0.000 0.763 215 A CB -0.378 18.601 19.000 -0.035 0.000 1.001 215 A HN 1.853 nan 8.150 nan 0.000 0.498 216 L N 0.470 121.619 121.223 -0.124 0.000 4.001 216 L HA -0.323 4.017 4.340 -0.000 0.000 0.413 216 L C 1.017 177.672 176.870 -0.358 0.000 1.185 216 L CA 0.661 55.371 54.840 -0.217 0.000 0.963 216 L CB -1.778 40.208 42.059 -0.122 0.000 1.976 216 L HN 1.006 nan 8.230 nan 0.000 0.939 217 D N -0.086 120.079 120.400 -0.392 0.000 2.117 217 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 217 D C 1.989 177.867 176.300 -0.704 0.000 0.982 217 D CA 1.292 54.800 54.000 -0.819 0.000 0.828 217 D CB -0.089 40.463 40.800 -0.413 0.000 0.967 217 D HN 0.425 nan 8.370 nan 0.000 0.464 218 A N 0.786 123.378 122.820 -0.380 0.000 1.908 218 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 218 A C 2.114 179.533 177.584 -0.276 0.000 1.181 218 A CA 1.926 53.839 52.037 -0.207 0.000 0.627 218 A CB -0.706 18.273 19.000 -0.034 0.000 0.818 218 A HN 0.201 nan 8.150 nan 0.000 0.445 219 E N -0.322 119.479 120.200 -0.665 0.000 2.152 219 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 219 E C 2.052 178.478 176.600 -0.290 0.000 0.983 219 E CA 1.263 57.181 56.400 -0.803 0.000 0.818 219 E CB -0.260 28.878 29.700 -0.937 0.000 0.758 219 E HN 0.600 nan 8.360 nan 0.000 0.467 220 A N -0.259 122.373 122.820 -0.314 0.000 1.973 220 A HA 0.054 4.374 4.320 -0.000 0.000 0.210 220 A C 0.805 178.415 177.584 0.043 0.000 1.200 220 A CA 0.843 52.814 52.037 -0.110 0.000 0.707 220 A CB -0.029 18.955 19.000 -0.027 0.000 0.862 220 A HN 0.427 nan 8.150 nan 0.000 0.461 221 Y N -4.274 116.050 120.300 0.039 0.000 3.075 221 Y HA 0.445 4.995 4.550 -0.000 0.000 0.270 221 Y C 0.867 176.789 175.900 0.037 0.000 1.071 221 Y CA -0.621 57.517 58.100 0.062 0.000 1.269 221 Y CB -0.555 37.949 38.460 0.072 0.000 1.291 221 Y HN -0.008 nan 8.280 nan 0.000 0.613 222 G N 0.806 109.528 108.800 -0.130 0.000 3.088 222 G HA2 0.337 4.296 3.960 -0.000 0.000 0.212 222 G HA3 0.337 4.296 3.960 -0.000 0.000 0.212 222 G C -0.109 174.765 174.900 -0.044 0.000 1.173 222 G CA 0.195 45.255 45.100 -0.067 0.000 0.779 222 G HN 0.133 nan 8.290 nan 0.000 0.540 223 V N 0.291 120.168 119.914 -0.062 0.000 2.567 223 V HA 0.462 4.582 4.120 -0.000 0.000 0.289 223 V C -0.372 175.598 176.094 -0.208 0.000 1.049 223 V CA -0.561 61.630 62.300 -0.181 0.000 0.969 223 V CB 1.566 33.163 31.823 -0.378 0.000 0.995 223 V HN 0.120 nan 8.190 nan 0.000 0.471 224 K N 2.333 122.568 120.400 -0.276 0.000 2.426 224 K HA 0.755 5.075 4.320 -0.000 0.000 0.254 224 K C -0.583 175.858 176.600 -0.266 0.000 0.936 224 K CA -0.110 56.009 56.287 -0.280 0.000 0.801 224 K CB 2.020 34.256 32.500 -0.439 0.000 1.139 224 K HN 0.705 nan 8.250 nan 0.000 0.424 225 S N 0.450 116.063 115.700 -0.146 0.000 2.651 225 S HA 0.662 5.132 4.470 -0.000 0.000 0.279 225 S C -0.968 173.679 174.600 0.078 0.000 1.148 225 S CA -0.676 57.459 58.200 -0.109 0.000 0.837 225 S CB 0.994 64.088 63.200 -0.177 0.000 1.138 225 S HN 0.659 nan 8.310 nan 0.000 0.478 226 T N 0.100 114.702 114.554 0.081 0.000 2.912 226 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 226 T C 1.520 176.302 174.700 0.136 0.000 0.989 226 T CA -0.449 61.740 62.100 0.149 0.000 0.995 226 T CB 0.351 69.253 68.868 0.056 0.000 1.077 226 T HN 0.483 nan 8.240 nan 0.000 0.531 227 I N -0.337 120.315 120.570 0.136 0.000 2.493 227 I HA 0.010 4.180 4.170 -0.000 0.000 0.254 227 I C 2.311 178.539 176.117 0.185 0.000 1.160 227 I CA 0.968 62.368 61.300 0.167 0.000 1.445 227 I CB -1.121 37.016 38.000 0.228 0.000 1.086 227 I HN 0.698 nan 8.210 nan 0.000 0.433 228 E N 1.311 121.502 120.200 -0.015 0.000 2.047 228 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 228 E C 1.562 178.234 176.600 0.120 0.000 0.987 228 E CA 1.516 57.889 56.400 -0.045 0.000 0.799 228 E CB -0.259 29.306 29.700 -0.224 0.000 0.752 228 E HN 0.503 nan 8.360 nan 0.000 0.449 229 D N 0.165 120.621 120.400 0.093 0.000 2.144 229 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 229 D C 1.843 178.260 176.300 0.195 0.000 0.978 229 D CA 0.848 54.909 54.000 0.102 0.000 0.833 229 D CB -0.002 40.801 40.800 0.004 0.000 0.961 229 D HN 0.058 nan 8.370 nan 0.000 0.470 230 M N 0.324 120.054 119.600 0.217 0.000 2.229 230 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 230 M C 2.181 178.678 176.300 0.328 0.000 1.063 230 M CA 0.570 56.063 55.300 0.322 0.000 1.114 230 M CB -1.056 31.712 32.600 0.280 0.000 1.387 230 M HN -0.032 nan 8.290 nan 0.000 0.420 231 A N -0.027 122.963 122.820 0.283 0.000 1.877 231 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 231 A C 2.405 180.086 177.584 0.161 0.000 1.186 231 A CA 1.825 53.999 52.037 0.229 0.000 0.620 231 A CB -0.704 18.488 19.000 0.320 0.000 0.822 231 A HN 0.457 nan 8.150 nan 0.000 0.443 232 R N -1.399 119.214 120.500 0.189 0.000 2.096 232 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 232 R C 2.150 178.567 176.300 0.195 0.000 1.127 232 R CA 1.429 57.617 56.100 0.146 0.000 0.968 232 R CB -0.362 30.024 30.300 0.143 0.000 0.861 232 R HN 0.850 nan 8.270 nan 0.000 0.440 233 W N 0.507 121.837 121.300 0.050 0.000 2.363 233 W HA -0.190 4.470 4.660 -0.000 0.000 0.296 233 W C 1.358 177.830 176.519 -0.078 0.000 1.212 233 W CA 1.025 58.391 57.345 0.035 0.000 1.260 233 W CB 0.038 29.578 29.460 0.133 0.000 1.131 233 W HN -0.045 nan 8.180 nan 0.000 0.530 234 V N 1.373 121.276 119.914 -0.020 0.000 2.358 234 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 234 V C 2.365 178.153 176.094 -0.510 0.000 1.047 234 V CA 2.233 64.308 62.300 -0.376 0.000 1.035 234 V CB -0.956 30.760 31.823 -0.179 0.000 0.658 234 V HN 0.227 nan 8.190 nan 0.000 0.452 235 Q N -0.144 119.499 119.800 -0.262 0.000 2.135 235 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 235 Q C 2.425 178.251 176.000 -0.290 0.000 0.981 235 Q CA 1.926 57.580 55.803 -0.248 0.000 0.856 235 Q CB -0.282 28.381 28.738 -0.126 0.000 0.902 235 Q HN 0.605 nan 8.270 nan 0.000 0.425 236 S N 0.930 116.474 115.700 -0.261 0.000 2.383 236 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 236 S C 1.458 175.810 174.600 -0.414 0.000 1.026 236 S CA 0.827 58.878 58.200 -0.247 0.000 0.981 236 S CB -0.113 63.018 63.200 -0.115 0.000 0.818 236 S HN 0.381 nan 8.310 nan 0.000 0.472 237 N N 0.902 119.184 118.700 -0.697 0.000 2.463 237 N HA 0.187 4.927 4.740 -0.000 0.000 0.181 237 N C 1.356 176.343 175.510 -0.872 0.000 1.078 237 N CA 0.298 52.833 53.050 -0.859 0.000 0.902 237 N CB 0.044 37.779 38.487 -1.254 0.000 0.970 237 N HN 0.349 nan 8.380 nan 0.000 0.451 238 L N 0.470 121.216 121.223 -0.795 0.000 2.127 238 L HA 0.024 4.364 4.340 -0.000 0.000 0.203 238 L C 0.224 176.918 176.870 -0.293 0.000 1.080 238 L CA 1.047 55.568 54.840 -0.533 0.000 0.768 238 L CB 0.179 41.967 42.059 -0.452 0.000 0.924 238 L HN -0.052 nan 8.230 nan 0.000 0.444 239 K N -0.002 120.238 120.400 -0.266 0.000 2.827 239 K HA 0.219 4.539 4.320 -0.000 0.000 0.186 239 K C -2.085 174.420 176.600 -0.158 0.000 1.093 239 K CA -1.245 54.936 56.287 -0.177 0.000 0.993 239 K CB 1.255 33.667 32.500 -0.145 0.000 1.199 239 K HN -0.122 nan 8.250 nan 0.000 0.598 240 P HA -0.162 nan 4.420 nan 0.000 0.225 240 P C 1.099 178.350 177.300 -0.082 0.000 1.148 240 P CA 0.515 63.543 63.100 -0.121 0.000 0.779 240 P CB 0.339 31.973 31.700 -0.111 0.000 0.780 241 L N 0.791 121.967 121.223 -0.079 0.000 2.191 241 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 241 L C 1.597 178.435 176.870 -0.055 0.000 1.103 241 L CA 1.827 56.631 54.840 -0.060 0.000 0.769 241 L CB -1.639 40.384 42.059 -0.060 0.000 0.908 241 L HN -0.111 nan 8.230 nan 0.000 0.438 242 D N -0.888 119.474 120.400 -0.064 0.000 2.363 242 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 242 D C 0.795 177.069 176.300 -0.043 0.000 0.994 242 D CA 0.365 54.333 54.000 -0.054 0.000 0.890 242 D CB 0.064 40.825 40.800 -0.064 0.000 0.906 242 D HN 0.239 nan 8.370 nan 0.000 0.530 243 I N 1.512 122.057 120.570 -0.042 0.000 2.416 243 I HA 0.013 4.183 4.170 -0.000 0.000 0.288 243 I C 1.482 177.587 176.117 -0.020 0.000 1.051 243 I CA -0.312 60.972 61.300 -0.027 0.000 1.375 243 I CB 0.900 38.885 38.000 -0.024 0.000 1.407 243 I HN -0.169 nan 8.210 nan 0.000 0.516 244 N N 4.091 122.783 118.700 -0.014 0.000 2.216 244 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 244 N C 0.162 175.665 175.510 -0.011 0.000 1.017 244 N CA 0.909 53.951 53.050 -0.014 0.000 0.861 244 N CB 0.106 38.585 38.487 -0.013 0.000 0.986 244 N HN 0.566 nan 8.380 nan 0.000 0.428 245 E N 1.249 121.444 120.200 -0.008 0.000 2.220 245 E HA 0.130 4.480 4.350 -0.000 0.000 0.272 245 E C 1.142 177.738 176.600 -0.007 0.000 1.099 245 E CA 0.005 56.401 56.400 -0.008 0.000 0.907 245 E CB 0.694 30.391 29.700 -0.005 0.000 1.022 245 E HN 0.219 nan 8.360 nan 0.000 0.428 246 K N 2.420 122.815 120.400 -0.009 0.000 2.001 246 K HA -0.235 4.085 4.320 -0.000 0.000 0.214 246 K C 2.061 178.659 176.600 -0.003 0.000 1.050 246 K CA 2.504 58.786 56.287 -0.008 0.000 0.934 246 K CB -1.796 30.699 32.500 -0.008 0.000 0.718 246 K HN 0.699 nan 8.250 nan 0.000 0.443 247 T N -0.663 113.890 114.554 -0.003 0.000 2.833 247 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 247 T C 1.961 176.668 174.700 0.011 0.000 1.054 247 T CA 1.480 63.582 62.100 0.002 0.000 1.135 247 T CB -0.234 68.631 68.868 -0.004 0.000 0.869 247 T HN 0.297 nan 8.240 nan 0.000 0.466 248 L N 0.804 122.033 121.223 0.010 0.000 2.179 248 L HA 0.190 4.530 4.340 -0.000 0.000 0.208 248 L C 2.707 179.590 176.870 0.022 0.000 1.096 248 L CA 1.524 56.380 54.840 0.026 0.000 0.779 248 L CB -0.902 41.176 42.059 0.031 0.000 0.922 248 L HN 0.363 nan 8.230 nan 0.000 0.443 249 Q N -0.755 119.048 119.800 0.005 0.000 2.050 249 Q HA -0.278 4.062 4.340 -0.000 0.000 0.202 249 Q C 2.185 178.182 176.000 -0.005 0.000 0.980 249 Q CA 2.174 57.971 55.803 -0.010 0.000 0.840 249 Q CB -0.102 28.626 28.738 -0.016 0.000 0.898 249 Q HN 0.642 nan 8.270 nan 0.000 0.424 250 Q N -0.625 119.178 119.800 0.006 0.000 2.119 250 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 250 Q C 1.997 178.019 176.000 0.037 0.000 0.972 250 Q CA 1.289 57.101 55.803 0.015 0.000 0.847 250 Q CB -0.262 28.485 28.738 0.016 0.000 0.903 250 Q HN 0.578 nan 8.270 nan 0.000 0.433 251 G N 0.791 109.618 108.800 0.046 0.000 2.440 251 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 251 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 251 G C 1.389 176.347 174.900 0.097 0.000 1.154 251 G CA 0.693 45.840 45.100 0.079 0.000 0.767 251 G HN 0.255 nan 8.290 nan 0.000 0.552 252 I N 0.425 121.031 120.570 0.060 0.000 2.226 252 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 252 I C 3.050 179.188 176.117 0.035 0.000 1.100 252 I CA 1.230 62.551 61.300 0.036 0.000 1.374 252 I CB -0.239 37.726 38.000 -0.058 0.000 1.057 252 I HN 0.287 nan 8.210 nan 0.000 0.413 253 Q N 0.404 120.213 119.800 0.015 0.000 2.119 253 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 253 Q C 2.332 178.361 176.000 0.048 0.000 0.972 253 Q CA 1.195 57.001 55.803 0.006 0.000 0.847 253 Q CB -0.109 28.621 28.738 -0.013 0.000 0.903 253 Q HN 0.532 nan 8.270 nan 0.000 0.433 254 L N 0.261 121.537 121.223 0.089 0.000 2.141 254 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 254 L C 2.396 179.416 176.870 0.250 0.000 1.094 254 L CA 0.772 55.702 54.840 0.151 0.000 0.763 254 L CB -0.507 41.650 42.059 0.164 0.000 0.908 254 L HN 0.208 nan 8.230 nan 0.000 0.437 255 A N -0.870 122.096 122.820 0.244 0.000 2.121 255 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 255 A C 2.023 179.829 177.584 0.370 0.000 1.154 255 A CA 1.059 53.297 52.037 0.334 0.000 0.679 255 A CB -0.219 19.007 19.000 0.377 0.000 0.795 255 A HN 0.486 nan 8.150 nan 0.000 0.458 256 Q N -0.200 119.733 119.800 0.220 0.000 2.282 256 Q HA 0.192 4.532 4.340 -0.000 0.000 0.206 256 Q C -0.115 175.907 176.000 0.037 0.000 0.878 256 Q CA -0.315 55.563 55.803 0.125 0.000 0.944 256 Q CB 0.469 29.206 28.738 -0.001 0.000 1.100 256 Q HN 0.496 nan 8.270 nan 0.000 0.509 257 S N 0.950 116.654 115.700 0.005 0.000 2.579 257 S HA 0.193 4.663 4.470 -0.000 0.000 0.275 257 S C 0.071 174.475 174.600 -0.327 0.000 1.345 257 S CA -0.058 57.987 58.200 -0.259 0.000 1.031 257 S CB 0.536 63.429 63.200 -0.512 0.000 0.892 257 S HN 0.230 nan 8.310 nan 0.000 0.529 258 R N 1.570 121.853 120.500 -0.363 0.000 2.204 258 R HA 0.236 4.576 4.340 -0.000 0.000 0.341 258 R C -0.334 175.793 176.300 -0.287 0.000 1.035 258 R CA -0.122 55.872 56.100 -0.176 0.000 0.887 258 R CB 0.400 30.586 30.300 -0.191 0.000 1.114 258 R HN 0.698 nan 8.270 nan 0.000 0.473 259 Y N 0.678 120.981 120.300 0.005 0.000 2.479 259 Y HA 0.134 4.684 4.550 -0.000 0.000 0.283 259 Y C 0.171 175.782 175.900 -0.482 0.000 1.109 259 Y CA 0.264 58.211 58.100 -0.255 0.000 1.239 259 Y CB 0.517 38.830 38.460 -0.245 0.000 1.108 259 Y HN 0.458 nan 8.280 nan 0.000 0.548 260 W N -0.204 121.265 121.300 0.281 0.000 3.107 260 W HA 0.558 5.218 4.660 0.000 0.000 0.331 260 W C -0.888 175.738 176.519 0.177 0.000 1.204 260 W CA -1.013 56.451 57.345 0.198 0.000 1.184 260 W CB 1.167 30.726 29.460 0.164 0.000 1.421 260 W HN -0.442 nan 8.180 nan 0.000 0.544 261 Q N 1.260 121.259 119.800 0.332 0.000 2.375 261 Q HA 0.692 5.032 4.340 -0.000 0.000 0.271 261 Q C -1.202 174.816 176.000 0.030 0.000 1.074 261 Q CA -0.538 55.283 55.803 0.031 0.000 0.808 261 Q CB 2.516 31.184 28.738 -0.118 0.000 1.327 261 Q HN 0.446 nan 8.270 nan 0.000 0.441 262 T N 2.161 116.677 114.554 -0.064 0.000 3.011 262 T HA 0.611 4.961 4.350 -0.000 0.000 0.303 262 T C 0.382 175.026 174.700 -0.094 0.000 0.997 262 T CA 0.680 62.754 62.100 -0.044 0.000 1.007 262 T CB 0.772 69.637 68.868 -0.004 0.000 1.017 262 T HN 1.113 nan 8.240 nan 0.000 0.443 263 G N 5.315 114.062 108.800 -0.088 0.000 2.611 263 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.301 263 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.301 263 G C 0.227 175.041 174.900 -0.143 0.000 1.233 263 G CA 0.799 45.845 45.100 -0.091 0.000 0.993 263 G HN 1.165 nan 8.290 nan 0.000 0.553 264 D N 0.020 120.348 120.400 -0.121 0.000 2.427 264 D HA 0.359 4.999 4.640 -0.000 0.000 0.224 264 D C 0.884 177.103 176.300 -0.135 0.000 1.157 264 D CA 0.139 54.062 54.000 -0.128 0.000 0.828 264 D CB 0.101 40.862 40.800 -0.064 0.000 0.974 264 D HN 0.536 nan 8.370 nan 0.000 0.498 265 M N 0.839 120.328 119.600 -0.185 0.000 2.456 265 M HA 0.420 4.900 4.480 -0.000 0.000 0.324 265 M C -1.803 174.395 176.300 -0.170 0.000 1.124 265 M CA -0.686 54.583 55.300 -0.051 0.000 0.959 265 M CB 1.902 34.540 32.600 0.063 0.000 1.692 265 M HN -0.156 nan 8.290 nan 0.000 0.444 266 Y N 1.751 122.157 120.300 0.177 0.000 2.393 266 Y HA 0.394 4.944 4.550 -0.000 0.000 0.341 266 Y C -0.302 175.753 175.900 0.258 0.000 0.988 266 Y CA -0.639 57.578 58.100 0.195 0.000 1.078 266 Y CB 1.668 40.212 38.460 0.139 0.000 1.203 266 Y HN 0.551 nan 8.280 nan 0.000 0.453 267 Q N 1.901 121.977 119.800 0.460 0.000 2.303 267 Q HA 0.553 4.893 4.340 -0.000 0.000 0.257 267 Q C -0.038 176.249 176.000 0.479 0.000 0.941 267 Q CA -0.234 55.837 55.803 0.447 0.000 0.931 267 Q CB 1.138 30.144 28.738 0.448 0.000 1.215 267 Q HN 0.894 nan 8.270 nan 0.000 0.437 268 G N 2.702 111.757 108.800 0.425 0.000 2.702 268 G HA2 0.475 4.435 3.960 -0.000 0.000 0.254 268 G HA3 0.475 4.435 3.960 -0.000 0.000 0.254 268 G C -0.889 174.183 174.900 0.288 0.000 1.380 268 G CA -0.842 44.533 45.100 0.459 0.000 1.042 268 G HN 0.603 nan 8.290 nan 0.000 0.557 269 L N 1.271 122.641 121.223 0.245 0.000 2.302 269 L HA 0.424 4.763 4.340 -0.000 0.000 0.285 269 L C 1.435 178.362 176.870 0.096 0.000 1.090 269 L CA 0.527 55.388 54.840 0.036 0.000 0.866 269 L CB 0.306 42.389 42.059 0.040 0.000 1.244 269 L HN 1.048 nan 8.230 nan 0.000 0.435 270 G N 2.049 110.875 108.800 0.044 0.000 3.329 270 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 270 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 270 G C 0.007 174.956 174.900 0.081 0.000 1.358 270 G CA -0.245 44.878 45.100 0.039 0.000 0.856 270 G HN 0.505 nan 8.290 nan 0.000 0.551 271 W N 2.042 123.474 121.300 0.219 0.000 2.150 271 W HA 0.614 5.274 4.660 -0.000 0.000 0.341 271 W C 0.744 177.408 176.519 0.241 0.000 1.276 271 W CA -0.286 57.183 57.345 0.208 0.000 1.238 271 W CB 0.514 30.064 29.460 0.150 0.000 1.128 271 W HN 0.266 nan 8.180 nan 0.000 0.581 272 E N 1.549 122.099 120.200 0.583 0.000 2.238 272 E HA 0.508 4.858 4.350 -0.000 0.000 0.267 272 E C -0.859 176.028 176.600 0.478 0.000 0.887 272 E CA -1.055 55.648 56.400 0.504 0.000 0.769 272 E CB 1.703 31.699 29.700 0.494 0.000 1.187 272 E HN 0.160 nan 8.360 nan 0.000 0.416 273 M N 2.106 121.935 119.600 0.382 0.000 2.572 273 M HA 0.514 4.994 4.480 -0.000 0.000 0.299 273 M C -1.437 175.072 176.300 0.348 0.000 1.205 273 M CA -0.414 55.050 55.300 0.273 0.000 0.876 273 M CB 1.654 34.347 32.600 0.155 0.000 1.728 273 M HN 0.315 nan 8.290 nan 0.000 0.458 274 L N 0.084 121.482 121.223 0.292 0.000 2.376 274 L HA 0.561 4.900 4.340 -0.000 0.000 0.258 274 L C -0.816 176.218 176.870 0.274 0.000 1.013 274 L CA -0.709 54.316 54.840 0.308 0.000 0.822 274 L CB 1.919 44.083 42.059 0.175 0.000 1.388 274 L HN 0.528 nan 8.230 nan 0.000 0.413 275 D N 0.766 121.318 120.400 0.253 0.000 2.389 275 D HA 0.043 4.683 4.640 -0.000 0.000 0.247 275 D C -1.059 175.376 176.300 0.225 0.000 1.128 275 D CA 0.097 54.213 54.000 0.193 0.000 0.884 275 D CB 1.223 42.111 40.800 0.147 0.000 1.194 275 D HN 0.319 nan 8.370 nan 0.000 0.441 276 W N 4.910 126.268 121.300 0.096 0.000 2.469 276 W HA 0.314 4.974 4.660 -0.000 0.000 0.320 276 W C -2.317 174.254 176.519 0.087 0.000 1.086 276 W CA -1.832 55.589 57.345 0.126 0.000 1.211 276 W CB 1.093 30.648 29.460 0.158 0.000 1.298 276 W HN 0.245 nan 8.180 nan 0.000 0.525 277 P HA 0.143 nan 4.420 nan 0.000 0.272 277 P C -0.990 175.977 177.300 -0.555 0.000 1.223 277 P CA -0.099 62.232 63.100 -1.283 0.000 0.784 277 P CB 2.283 33.435 31.700 -0.914 0.000 0.923 278 V N 1.598 121.189 119.914 -0.538 0.000 2.994 278 V HA 0.373 4.493 4.120 -0.000 0.000 0.318 278 V C -0.189 175.670 176.094 -0.391 0.000 1.085 278 V CA -0.993 61.117 62.300 -0.316 0.000 0.998 278 V CB 1.867 33.530 31.823 -0.267 0.000 1.063 278 V HN 0.691 nan 8.190 nan 0.000 0.447 279 N N 3.963 122.449 118.700 -0.357 0.000 2.408 279 N HA 0.392 5.132 4.740 -0.000 0.000 0.257 279 N C -1.964 173.199 175.510 -0.578 0.000 1.064 279 N CA -1.914 50.896 53.050 -0.400 0.000 0.952 279 N CB 1.638 39.959 38.487 -0.276 0.000 1.093 279 N HN 0.305 nan 8.380 nan 0.000 0.490 280 P HA -0.114 nan 4.420 nan 0.000 0.215 280 P C 0.488 177.412 177.300 -0.626 0.000 1.157 280 P CA 1.173 63.574 63.100 -1.165 0.000 0.874 280 P CB 0.353 30.998 31.700 -1.758 0.000 0.790 281 D N -1.047 119.076 120.400 -0.461 0.000 2.149 281 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 281 D C 2.113 178.272 176.300 -0.235 0.000 0.990 281 D CA 1.275 55.104 54.000 -0.286 0.000 0.839 281 D CB -0.777 39.891 40.800 -0.219 0.000 0.948 281 D HN 0.123 nan 8.370 nan 0.000 0.460 282 S N 0.312 115.858 115.700 -0.256 0.000 2.356 282 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 282 S C 2.155 176.659 174.600 -0.161 0.000 1.032 282 S CA 1.123 59.210 58.200 -0.188 0.000 1.005 282 S CB -0.208 62.880 63.200 -0.187 0.000 0.867 282 S HN 0.411 nan 8.310 nan 0.000 0.449 283 I N -1.281 119.153 120.570 -0.226 0.000 2.500 283 I HA 0.058 4.228 4.170 -0.000 0.000 0.252 283 I C 2.136 178.211 176.117 -0.070 0.000 1.142 283 I CA 0.897 62.125 61.300 -0.119 0.000 1.451 283 I CB -0.473 37.391 38.000 -0.227 0.000 1.093 283 I HN 0.232 nan 8.210 nan 0.000 0.430 284 I N 2.348 122.825 120.570 -0.154 0.000 2.090 284 I HA -0.273 3.897 4.170 -0.000 0.000 0.236 284 I C 2.240 178.304 176.117 -0.088 0.000 1.064 284 I CA 2.186 63.416 61.300 -0.116 0.000 1.324 284 I CB -0.631 37.280 38.000 -0.148 0.000 1.044 284 I HN 0.320 nan 8.210 nan 0.000 0.399 285 N N 0.393 119.033 118.700 -0.099 0.000 2.289 285 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 285 N C 1.794 177.269 175.510 -0.059 0.000 1.016 285 N CA 0.959 53.963 53.050 -0.076 0.000 0.872 285 N CB -0.223 38.215 38.487 -0.081 0.000 0.973 285 N HN 0.404 nan 8.380 nan 0.000 0.433 286 G N 0.291 109.060 108.800 -0.052 0.000 2.572 286 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 286 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 286 G C 1.541 176.431 174.900 -0.016 0.000 1.133 286 G CA 0.643 45.727 45.100 -0.026 0.000 0.791 286 G HN 0.390 nan 8.290 nan 0.000 0.538 287 S N -0.213 115.475 115.700 -0.020 0.000 2.489 287 S HA -0.006 4.464 4.470 -0.000 0.000 0.228 287 S C 0.831 175.387 174.600 -0.072 0.000 0.995 287 S CA 0.037 58.213 58.200 -0.040 0.000 0.934 287 S CB -0.059 63.110 63.200 -0.053 0.000 0.771 287 S HN 0.270 nan 8.310 nan 0.000 0.522 288 D N 2.045 122.407 120.400 -0.062 0.000 2.487 288 D HA 0.052 4.692 4.640 -0.000 0.000 0.243 288 D C 0.504 176.768 176.300 -0.061 0.000 1.154 288 D CA 0.255 54.219 54.000 -0.059 0.000 0.876 288 D CB 0.237 41.009 40.800 -0.047 0.000 1.161 288 D HN 0.391 nan 8.370 nan 0.000 0.478 289 N N 2.983 121.647 118.700 -0.060 0.000 2.348 289 N HA -0.191 4.549 4.740 -0.000 0.000 0.185 289 N C 1.705 177.193 175.510 -0.036 0.000 1.019 289 N CA 0.452 53.467 53.050 -0.058 0.000 0.880 289 N CB 0.174 38.637 38.487 -0.041 0.000 0.965 289 N HN 0.464 nan 8.380 nan 0.000 0.437 290 K N 0.960 121.343 120.400 -0.029 0.000 2.113 290 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 290 K C 1.550 178.139 176.600 -0.020 0.000 1.047 290 K CA 1.211 57.488 56.287 -0.018 0.000 0.928 290 K CB 0.101 32.590 32.500 -0.019 0.000 0.716 290 K HN 0.206 nan 8.250 nan 0.000 0.446 291 I N -0.650 119.901 120.570 -0.032 0.000 2.899 291 I HA -0.011 4.159 4.170 -0.000 0.000 0.257 291 I C 2.232 178.323 176.117 -0.044 0.000 1.115 291 I CA 0.525 61.805 61.300 -0.033 0.000 1.451 291 I CB -0.163 37.816 38.000 -0.035 0.000 1.251 291 I HN 0.105 nan 8.210 nan 0.000 0.456 292 A N 1.038 123.815 122.820 -0.072 0.000 2.042 292 A HA -0.169 4.151 4.320 -0.000 0.000 0.222 292 A C 2.146 179.643 177.584 -0.143 0.000 1.167 292 A CA 1.641 53.599 52.037 -0.131 0.000 0.649 292 A CB -0.742 18.140 19.000 -0.198 0.000 0.809 292 A HN 0.455 nan 8.150 nan 0.000 0.457 293 L N -1.597 119.583 121.223 -0.071 0.000 2.554 293 L HA 0.245 4.585 4.340 -0.000 0.000 0.225 293 L C 1.334 178.229 176.870 0.042 0.000 1.104 293 L CA 0.015 54.858 54.840 0.005 0.000 0.866 293 L CB -0.285 41.790 42.059 0.026 0.000 1.047 293 L HN 0.379 nan 8.230 nan 0.000 0.468 294 A N 0.764 123.595 122.820 0.019 0.000 2.332 294 A HA 0.634 4.954 4.320 -0.000 0.000 0.258 294 A C 0.374 177.969 177.584 0.019 0.000 1.087 294 A CA -0.115 51.940 52.037 0.030 0.000 0.802 294 A CB 0.396 19.402 19.000 0.010 0.000 1.042 294 A HN 0.185 nan 8.150 nan 0.000 0.489 295 A N 1.126 123.957 122.820 0.019 0.000 2.388 295 A HA 0.621 4.941 4.320 -0.000 0.000 0.257 295 A C 0.340 177.836 177.584 -0.146 0.000 1.095 295 A CA -0.073 51.916 52.037 -0.081 0.000 0.791 295 A CB 0.151 19.055 19.000 -0.161 0.000 1.029 295 A HN 0.767 nan 8.150 nan 0.000 0.489 296 R N 1.565 121.956 120.500 -0.181 0.000 2.673 296 R HA 0.574 4.914 4.340 -0.000 0.000 0.281 296 R C -2.929 173.247 176.300 -0.208 0.000 0.991 296 R CA -1.835 54.171 56.100 -0.156 0.000 0.896 296 R CB 2.260 32.512 30.300 -0.080 0.000 1.201 296 R HN 0.539 nan 8.270 nan 0.000 0.457 297 P HA 0.155 nan 4.420 nan 0.000 0.275 297 P C -0.827 176.413 177.300 -0.100 0.000 1.228 297 P CA -0.293 62.700 63.100 -0.179 0.000 0.786 297 P CB 1.094 32.712 31.700 -0.137 0.000 0.927 298 V N -0.817 119.048 119.914 -0.081 0.000 2.864 298 V HA 0.619 4.739 4.120 -0.000 0.000 0.314 298 V C -0.324 175.890 176.094 0.201 0.000 1.073 298 V CA -1.106 61.224 62.300 0.050 0.000 0.956 298 V CB 2.153 33.958 31.823 -0.030 0.000 1.023 298 V HN 0.511 nan 8.190 nan 0.000 0.435 299 K N 2.749 123.324 120.400 0.291 0.000 2.307 299 K HA 0.778 5.098 4.320 -0.000 0.000 0.263 299 K C -0.007 176.817 176.600 0.373 0.000 0.973 299 K CA -0.326 56.126 56.287 0.274 0.000 0.846 299 K CB 1.622 34.208 32.500 0.144 0.000 1.100 299 K HN 1.223 nan 8.250 nan 0.000 0.438 300 A N 4.971 127.985 122.820 0.323 0.000 2.445 300 A HA 0.251 4.571 4.320 -0.000 0.000 0.242 300 A C -0.013 177.518 177.584 -0.089 0.000 1.075 300 A CA -0.153 51.820 52.037 -0.107 0.000 0.777 300 A CB -0.042 18.834 19.000 -0.207 0.000 1.013 300 A HN 0.820 nan 8.150 nan 0.000 0.493 301 I N 2.608 123.058 120.570 -0.201 0.000 2.347 301 I HA 0.173 4.343 4.170 -0.000 0.000 0.283 301 I C -0.261 175.764 176.117 -0.153 0.000 1.058 301 I CA -0.004 61.235 61.300 -0.102 0.000 1.202 301 I CB 1.059 39.026 38.000 -0.055 0.000 1.386 301 I HN 0.551 nan 8.210 nan 0.000 0.475 302 T N 6.165 120.658 114.554 -0.102 0.000 2.781 302 T HA 0.420 4.770 4.350 -0.000 0.000 0.305 302 T C -1.652 173.011 174.700 -0.062 0.000 1.001 302 T CA -0.972 61.075 62.100 -0.088 0.000 0.950 302 T CB 0.609 69.442 68.868 -0.057 0.000 0.955 302 T HN 0.428 nan 8.240 nan 0.000 0.471 303 P HA 0.537 nan 4.420 nan 0.000 0.284 303 P C -3.074 174.142 177.300 -0.141 0.000 1.287 303 P CA -2.304 60.738 63.100 -0.096 0.000 0.824 303 P CB 0.126 31.784 31.700 -0.070 0.000 1.180 304 P HA 0.032 nan 4.420 nan 0.000 0.263 304 P C -0.293 176.847 177.300 -0.267 0.000 1.175 304 P CA 0.611 63.514 63.100 -0.328 0.000 0.761 304 P CB -0.094 31.274 31.700 -0.552 0.000 0.794 305 T N 5.646 120.042 114.554 -0.263 0.000 2.794 305 T HA 0.265 4.615 4.350 -0.000 0.000 0.296 305 T C -2.130 172.433 174.700 -0.228 0.000 0.949 305 T CA -1.108 60.865 62.100 -0.211 0.000 1.101 305 T CB 0.065 68.804 68.868 -0.215 0.000 0.905 305 T HN 0.254 nan 8.240 nan 0.000 0.516 306 P HA 0.232 nan 4.420 nan 0.000 0.272 306 P C -0.527 176.693 177.300 -0.133 0.000 1.223 306 P CA -0.485 62.531 63.100 -0.141 0.000 0.784 306 P CB 0.325 31.965 31.700 -0.099 0.000 0.923 307 A N 2.339 125.095 122.820 -0.108 0.000 2.592 307 A HA 0.007 4.327 4.320 -0.000 0.000 0.250 307 A C 0.147 177.673 177.584 -0.097 0.000 1.017 307 A CA 0.402 52.382 52.037 -0.095 0.000 0.794 307 A CB -0.848 18.110 19.000 -0.070 0.000 0.917 307 A HN 0.366 nan 8.150 nan 0.000 0.515 308 V N 6.419 126.268 119.914 -0.108 0.000 2.364 308 V HA 0.145 4.265 4.120 -0.000 0.000 0.272 308 V C 1.518 177.571 176.094 -0.068 0.000 1.036 308 V CA -0.667 61.578 62.300 -0.093 0.000 0.880 308 V CB 0.980 32.733 31.823 -0.117 0.000 0.991 308 V HN 1.033 nan 8.190 nan 0.000 0.460 309 R N 3.903 124.371 120.500 -0.054 0.000 2.094 309 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 309 R C 1.350 177.630 176.300 -0.034 0.000 1.137 309 R CA 1.601 57.672 56.100 -0.049 0.000 0.943 309 R CB -0.546 29.728 30.300 -0.043 0.000 0.850 309 R HN 0.736 nan 8.270 nan 0.000 0.433 310 A N 2.074 124.901 122.820 0.012 0.000 3.037 310 A HA 0.278 4.598 4.320 -0.000 0.000 0.272 310 A C -0.479 177.195 177.584 0.150 0.000 1.723 310 A CA 0.095 52.190 52.037 0.097 0.000 1.413 310 A CB -0.076 19.017 19.000 0.155 0.000 1.112 310 A HN 0.129 nan 8.150 nan 0.000 0.606 311 S N 1.046 116.798 115.700 0.086 0.000 2.549 311 S HA 0.510 4.980 4.470 -0.000 0.000 0.280 311 S C -0.992 173.668 174.600 0.101 0.000 1.109 311 S CA -0.578 57.688 58.200 0.110 0.000 0.905 311 S CB 1.214 64.394 63.200 -0.033 0.000 1.081 311 S HN 0.713 nan 8.310 nan 0.000 0.477 312 W N 4.366 125.691 121.300 0.042 0.000 2.308 312 W HA 0.559 5.219 4.660 -0.000 0.000 0.311 312 W C -1.846 174.528 176.519 -0.241 0.000 1.088 312 W CA -0.559 56.771 57.345 -0.026 0.000 1.309 312 W CB 0.468 30.043 29.460 0.192 0.000 1.229 312 W HN 0.345 nan 8.180 nan 0.000 0.427 313 V N 7.847 127.290 119.914 -0.786 0.000 2.398 313 V HA 0.422 4.542 4.120 -0.000 0.000 0.286 313 V C 0.092 175.755 176.094 -0.719 0.000 1.026 313 V CA -0.299 61.503 62.300 -0.831 0.000 0.868 313 V CB 1.120 31.949 31.823 -1.657 0.000 0.982 313 V HN 0.690 nan 8.190 nan 0.000 0.443 314 H N 2.648 121.636 119.070 -0.136 0.000 2.918 314 H HA 0.918 5.474 4.556 -0.000 0.000 0.303 314 H C -1.307 174.273 175.328 0.420 0.000 1.380 314 H CA -1.323 54.779 56.048 0.090 0.000 1.134 314 H CB 2.175 32.048 29.762 0.184 0.000 1.842 314 H HN 0.418 nan 8.280 nan 0.000 0.533 315 K N 1.109 121.632 120.400 0.205 0.000 2.584 315 K HA 0.224 4.543 4.320 -0.000 0.000 0.260 315 K C -1.474 175.242 176.600 0.194 0.000 0.949 315 K CA 0.070 56.432 56.287 0.126 0.000 0.888 315 K CB 1.795 34.381 32.500 0.143 0.000 1.330 315 K HN 0.952 nan 8.250 nan 0.000 0.432 316 T N 0.058 114.733 114.554 0.200 0.000 2.918 316 T HA 0.893 5.243 4.350 -0.000 0.000 0.283 316 T C 0.369 175.183 174.700 0.191 0.000 1.001 316 T CA -0.416 61.849 62.100 0.274 0.000 1.041 316 T CB 1.703 70.641 68.868 0.116 0.000 1.028 316 T HN 0.653 nan 8.240 nan 0.000 0.511 317 G N -0.784 108.133 108.800 0.195 0.000 2.718 317 G HA2 0.771 4.731 3.960 -0.000 0.000 0.295 317 G HA3 0.771 4.731 3.960 -0.000 0.000 0.295 317 G C -1.613 173.392 174.900 0.175 0.000 1.421 317 G CA -0.597 44.620 45.100 0.195 0.000 0.902 317 G HN 1.203 nan 8.290 nan 0.000 0.501 318 A N 0.111 123.035 122.820 0.174 0.000 2.594 318 A HA 0.948 5.268 4.320 -0.000 0.000 0.296 318 A C -0.248 177.431 177.584 0.158 0.000 1.061 318 A CA 0.099 52.240 52.037 0.173 0.000 0.689 318 A CB 1.466 20.532 19.000 0.110 0.000 1.280 318 A HN 1.958 nan 8.150 nan 0.000 0.406 319 T N -1.552 113.134 114.554 0.220 0.000 2.887 319 T HA 0.632 4.982 4.350 -0.000 0.000 0.292 319 T C 1.339 176.160 174.700 0.201 0.000 1.087 319 T CA 0.089 62.298 62.100 0.182 0.000 1.009 319 T CB 1.208 70.239 68.868 0.273 0.000 1.203 319 T HN 1.839 nan 8.240 nan 0.000 0.518 320 G N 0.158 109.048 108.800 0.150 0.000 2.547 320 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.221 320 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.221 320 G C 1.162 176.150 174.900 0.147 0.000 1.140 320 G CA 0.888 46.064 45.100 0.127 0.000 0.760 320 G HN 1.259 nan 8.290 nan 0.000 0.583 321 G N -1.522 107.405 108.800 0.213 0.000 3.192 321 G HA2 0.483 4.443 3.960 -0.000 0.000 0.239 321 G HA3 0.483 4.443 3.960 -0.000 0.000 0.239 321 G C -0.304 174.526 174.900 -0.116 0.000 1.084 321 G CA -0.506 44.620 45.100 0.043 0.000 0.784 321 G HN 0.217 nan 8.290 nan 0.000 0.540 322 F N -0.357 119.732 119.950 0.232 0.000 2.593 322 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 322 F C 0.376 176.322 175.800 0.243 0.000 1.060 322 F CA -1.139 57.035 58.000 0.289 0.000 0.940 322 F CB 2.482 41.676 39.000 0.322 0.000 1.268 322 F HN -0.001 nan 8.300 nan 0.000 0.475 323 G N 0.621 109.707 108.800 0.476 0.000 2.739 323 G HA2 0.566 4.525 3.960 -0.000 0.000 0.291 323 G HA3 0.566 4.525 3.960 -0.000 0.000 0.291 323 G C -1.559 173.533 174.900 0.320 0.000 1.478 323 G CA -0.701 44.572 45.100 0.288 0.000 1.062 323 G HN 0.761 nan 8.290 nan 0.000 0.532 324 S N 0.817 116.673 115.700 0.259 0.000 2.632 324 S HA 0.864 5.334 4.470 -0.000 0.000 0.289 324 S C -1.517 173.289 174.600 0.343 0.000 1.115 324 S CA -1.030 57.343 58.200 0.290 0.000 0.889 324 S CB 2.495 65.856 63.200 0.269 0.000 1.116 324 S HN 1.173 nan 8.310 nan 0.000 0.486 325 Y N -0.099 120.317 120.300 0.194 0.000 2.480 325 Y HA 0.609 5.159 4.550 -0.000 0.000 0.329 325 Y C -2.066 173.994 175.900 0.266 0.000 1.127 325 Y CA -0.859 57.367 58.100 0.211 0.000 1.037 325 Y CB 1.540 40.120 38.460 0.199 0.000 1.320 325 Y HN 0.770 nan 8.280 nan 0.000 0.446 326 V N 4.648 124.388 119.914 -0.291 0.000 2.638 326 V HA 0.967 5.087 4.120 -0.000 0.000 0.306 326 V C -0.821 175.047 176.094 -0.377 0.000 1.052 326 V CA -0.259 61.971 62.300 -0.117 0.000 0.885 326 V CB 1.432 33.449 31.823 0.323 0.000 0.999 326 V HN 0.998 nan 8.190 nan 0.000 0.424 327 A N 4.991 127.620 122.820 -0.318 0.000 2.520 327 A HA 1.025 5.345 4.320 -0.000 0.000 0.298 327 A C -1.254 176.087 177.584 -0.406 0.000 1.051 327 A CA -0.500 51.235 52.037 -0.503 0.000 0.690 327 A CB 1.731 20.377 19.000 -0.591 0.000 1.281 327 A HN 1.426 nan 8.150 nan 0.000 0.402 328 F N -0.478 119.039 119.950 -0.721 0.000 2.668 328 F HA 0.837 5.364 4.527 -0.000 0.000 0.309 328 F C -1.516 173.922 175.800 -0.604 0.000 1.117 328 F CA -1.275 56.367 58.000 -0.597 0.000 0.951 328 F CB 1.255 39.967 39.000 -0.480 0.000 1.323 328 F HN 0.304 nan 8.300 nan 0.000 0.451 329 I N 2.698 123.097 120.570 -0.285 0.000 2.466 329 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 329 I C -2.154 173.858 176.117 -0.174 0.000 1.033 329 I CA -1.863 59.232 61.300 -0.343 0.000 1.123 329 I CB 1.826 39.470 38.000 -0.594 0.000 1.237 329 I HN 0.383 nan 8.210 nan 0.000 0.460 330 P HA -0.252 nan 4.420 nan 0.000 0.215 330 P C 1.455 178.688 177.300 -0.112 0.000 1.163 330 P CA 1.385 64.448 63.100 -0.061 0.000 0.894 330 P CB 0.312 31.989 31.700 -0.039 0.000 0.791 331 E N -0.304 119.826 120.200 -0.117 0.000 2.160 331 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 331 E C 1.175 177.696 176.600 -0.130 0.000 0.991 331 E CA 1.119 57.457 56.400 -0.104 0.000 0.810 331 E CB -0.122 29.537 29.700 -0.069 0.000 0.742 331 E HN 0.071 nan 8.360 nan 0.000 0.466 332 K N 0.323 120.609 120.400 -0.191 0.000 2.404 332 K HA 0.036 4.356 4.320 -0.000 0.000 0.194 332 K C -0.100 176.392 176.600 -0.180 0.000 1.023 332 K CA 0.151 56.323 56.287 -0.192 0.000 1.094 332 K CB 0.459 32.798 32.500 -0.267 0.000 0.841 332 K HN 0.184 nan 8.250 nan 0.000 0.523 333 E N 0.680 120.781 120.200 -0.165 0.000 2.440 333 E HA -0.234 4.116 4.350 -0.000 0.000 0.246 333 E C -0.781 175.729 176.600 -0.150 0.000 1.165 333 E CA 0.336 56.640 56.400 -0.161 0.000 0.726 333 E CB -1.221 28.379 29.700 -0.166 0.000 1.271 333 E HN 0.067 nan 8.360 nan 0.000 0.397 334 L N -0.443 120.694 121.223 -0.143 0.000 2.386 334 L HA 0.791 5.131 4.340 -0.000 0.000 0.271 334 L C 0.074 176.886 176.870 -0.097 0.000 0.993 334 L CA 0.266 55.050 54.840 -0.094 0.000 0.819 334 L CB 2.087 44.080 42.059 -0.111 0.000 1.294 334 L HN 0.043 nan 8.230 nan 0.000 0.414 335 G N 4.031 112.805 108.800 -0.042 0.000 2.623 335 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 335 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 335 G C -2.252 172.658 174.900 0.017 0.000 1.437 335 G CA -0.448 44.629 45.100 -0.038 0.000 0.798 335 G HN 0.790 nan 8.290 nan 0.000 0.488 336 I N -0.160 120.425 120.570 0.026 0.000 2.827 336 I HA 0.685 4.854 4.170 -0.000 0.000 0.298 336 I C -1.348 174.847 176.117 0.131 0.000 1.235 336 I CA -1.050 60.311 61.300 0.102 0.000 1.021 336 I CB 2.331 40.413 38.000 0.135 0.000 1.259 336 I HN 0.377 nan 8.210 nan 0.000 0.427 337 V N 7.303 127.332 119.914 0.191 0.000 2.531 337 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 337 V C -0.461 175.780 176.094 0.244 0.000 1.034 337 V CA -0.433 61.996 62.300 0.215 0.000 0.865 337 V CB 1.784 33.747 31.823 0.233 0.000 0.995 337 V HN 0.634 nan 8.190 nan 0.000 0.424 338 M N 6.456 126.211 119.600 0.258 0.000 2.085 338 M HA 0.591 5.071 4.480 -0.000 0.000 0.309 338 M C -1.340 175.077 176.300 0.195 0.000 0.947 338 M CA -0.183 55.273 55.300 0.261 0.000 0.918 338 M CB 1.700 34.508 32.600 0.347 0.000 1.504 338 M HN 0.381 nan 8.290 nan 0.000 0.420 339 L N 3.022 124.262 121.223 0.028 0.000 2.325 339 L HA 0.933 5.273 4.340 -0.000 0.000 0.281 339 L C -0.354 176.417 176.870 -0.165 0.000 1.004 339 L CA -0.703 54.014 54.840 -0.205 0.000 0.823 339 L CB 1.671 43.235 42.059 -0.825 0.000 1.236 339 L HN 0.766 nan 8.230 nan 0.000 0.415 340 A N 2.132 125.112 122.820 0.267 0.000 2.386 340 A HA 0.604 4.924 4.320 -0.000 0.000 0.311 340 A C -0.344 177.632 177.584 0.653 0.000 1.068 340 A CA -0.779 51.531 52.037 0.454 0.000 0.743 340 A CB 1.127 20.341 19.000 0.355 0.000 1.258 340 A HN 0.763 nan 8.150 nan 0.000 0.429 341 N N 1.489 120.522 118.700 0.554 0.000 3.250 341 N HA 0.257 4.997 4.740 -0.000 0.000 0.307 341 N C -0.562 174.950 175.510 0.002 0.000 1.355 341 N CA -0.122 52.966 53.050 0.063 0.000 1.192 341 N CB 0.082 38.615 38.487 0.077 0.000 1.478 341 N HN 0.624 nan 8.380 nan 0.000 0.543 342 K N 0.116 120.586 120.400 0.116 0.000 2.589 342 K HA 0.178 4.498 4.320 -0.000 0.000 0.265 342 K C -1.919 174.855 176.600 0.291 0.000 0.935 342 K CA -0.653 55.732 56.287 0.163 0.000 0.850 342 K CB 1.015 33.612 32.500 0.161 0.000 1.372 342 K HN 0.053 nan 8.250 nan 0.000 0.420 343 N N 3.864 122.700 118.700 0.227 0.000 2.521 343 N HA 0.150 4.890 4.740 -0.000 0.000 0.236 343 N C -1.397 174.238 175.510 0.209 0.000 1.067 343 N CA -0.121 53.054 53.050 0.207 0.000 0.939 343 N CB -0.044 38.529 38.487 0.143 0.000 1.201 343 N HN 0.453 nan 8.380 nan 0.000 0.511 344 Y N 1.587 121.932 120.300 0.075 0.000 2.488 344 Y HA 0.736 5.286 4.550 -0.000 0.000 0.325 344 Y C -2.458 173.464 175.900 0.036 0.000 1.204 344 Y CA -3.465 54.663 58.100 0.045 0.000 1.229 344 Y CB -0.798 37.682 38.460 0.033 0.000 1.274 344 Y HN 0.277 nan 8.280 nan 0.000 0.493 345 P HA -0.065 nan 4.420 nan 0.000 0.259 345 P C 0.235 177.411 177.300 -0.206 0.000 1.163 345 P CA 0.560 63.613 63.100 -0.079 0.000 0.760 345 P CB 0.634 32.341 31.700 0.012 0.000 0.762 346 N N 5.187 123.775 118.700 -0.187 0.000 2.036 346 N HA -0.157 4.583 4.740 -0.000 0.000 0.195 346 N C -0.810 174.585 175.510 -0.192 0.000 1.037 346 N CA 1.949 54.871 53.050 -0.214 0.000 0.855 346 N CB -1.894 36.504 38.487 -0.149 0.000 1.033 346 N HN 0.434 nan 8.380 nan 0.000 0.423 347 P HA -0.132 nan 4.420 nan 0.000 0.216 347 P C 1.106 178.374 177.300 -0.054 0.000 1.154 347 P CA 1.932 64.982 63.100 -0.083 0.000 0.865 347 P CB -0.133 31.534 31.700 -0.055 0.000 0.789 348 A N -0.344 122.470 122.820 -0.009 0.000 1.940 348 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 348 A C 2.200 179.850 177.584 0.109 0.000 1.176 348 A CA 1.624 53.711 52.037 0.084 0.000 0.631 348 A CB -0.976 18.150 19.000 0.211 0.000 0.814 348 A HN 0.122 nan 8.150 nan 0.000 0.446 349 R N -0.735 119.765 120.500 0.000 0.000 2.061 349 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 349 R C 2.014 178.229 176.300 -0.142 0.000 1.140 349 R CA 1.486 57.566 56.100 -0.033 0.000 0.940 349 R CB -0.835 29.300 30.300 -0.276 0.000 0.839 349 R HN 0.336 nan 8.270 nan 0.000 0.429 350 V N 2.051 121.750 119.914 -0.358 0.000 2.392 350 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 350 V C 2.148 178.308 176.094 0.109 0.000 1.059 350 V CA 2.004 64.182 62.300 -0.204 0.000 1.051 350 V CB -0.583 31.144 31.823 -0.159 0.000 0.658 350 V HN 0.378 nan 8.190 nan 0.000 0.455 351 D N 0.427 120.865 120.400 0.064 0.000 2.084 351 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 351 D C 2.211 178.639 176.300 0.213 0.000 0.990 351 D CA 1.769 55.844 54.000 0.125 0.000 0.826 351 D CB 0.034 40.872 40.800 0.063 0.000 0.971 351 D HN 0.378 nan 8.370 nan 0.000 0.453 352 A N 0.913 123.836 122.820 0.171 0.000 1.933 352 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 352 A C 2.414 180.143 177.584 0.242 0.000 1.175 352 A CA 2.450 54.588 52.037 0.167 0.000 0.628 352 A CB -0.821 18.254 19.000 0.125 0.000 0.814 352 A HN 0.336 nan 8.150 nan 0.000 0.444 353 A N -1.863 121.167 122.820 0.349 0.000 1.902 353 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 353 A C 1.978 179.893 177.584 0.550 0.000 1.181 353 A CA 1.491 53.821 52.037 0.488 0.000 0.623 353 A CB -0.818 18.657 19.000 0.792 0.000 0.818 353 A HN 0.808 nan 8.150 nan 0.000 0.443 354 W N 0.668 122.207 121.300 0.399 0.000 2.388 354 W HA -0.128 4.532 4.660 -0.000 0.000 0.294 354 W C 2.278 178.935 176.519 0.228 0.000 1.212 354 W CA 1.663 59.209 57.345 0.334 0.000 1.271 354 W CB 0.026 29.535 29.460 0.082 0.000 1.126 354 W HN 0.321 nan 8.180 nan 0.000 0.535 355 Q N 0.291 120.255 119.800 0.273 0.000 2.061 355 Q HA -0.211 4.128 4.340 -0.000 0.000 0.204 355 Q C 2.218 178.206 176.000 -0.021 0.000 0.984 355 Q CA 2.217 58.076 55.803 0.094 0.000 0.846 355 Q CB -1.021 27.790 28.738 0.121 0.000 0.902 355 Q HN 0.446 nan 8.270 nan 0.000 0.421 356 I N 0.380 120.977 120.570 0.045 0.000 2.133 356 I HA -0.270 3.900 4.170 -0.000 0.000 0.238 356 I C 2.348 178.452 176.117 -0.021 0.000 1.074 356 I CA 0.976 62.280 61.300 0.007 0.000 1.342 356 I CB -0.384 37.641 38.000 0.042 0.000 1.053 356 I HN 0.120 nan 8.210 nan 0.000 0.404 357 L N 0.277 121.520 121.223 0.033 0.000 2.141 357 L HA -0.208 4.131 4.340 -0.000 0.000 0.209 357 L C 2.329 179.159 176.870 -0.067 0.000 1.094 357 L CA 1.399 56.249 54.840 0.018 0.000 0.763 357 L CB -0.867 41.259 42.059 0.111 0.000 0.908 357 L HN 0.436 nan 8.230 nan 0.000 0.437 358 N N 0.424 118.963 118.700 -0.267 0.000 2.309 358 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 358 N C 1.726 177.115 175.510 -0.202 0.000 1.018 358 N CA 0.955 53.771 53.050 -0.390 0.000 0.876 358 N CB 0.203 37.952 38.487 -1.231 0.000 0.972 358 N HN 0.296 nan 8.380 nan 0.000 0.434 359 A N 0.436 123.157 122.820 -0.164 0.000 2.167 359 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 359 A C 1.366 178.914 177.584 -0.061 0.000 1.151 359 A CA 0.419 52.399 52.037 -0.096 0.000 0.735 359 A CB -0.012 18.935 19.000 -0.088 0.000 0.802 359 A HN 0.280 nan 8.150 nan 0.000 0.467 360 L N -0.229 120.971 121.223 -0.038 0.000 3.062 360 L HA 0.483 4.823 4.340 -0.000 0.000 0.255 360 L C 0.709 177.646 176.870 0.112 0.000 1.274 360 L CA 0.269 55.120 54.840 0.020 0.000 1.047 360 L CB -0.778 41.279 42.059 -0.004 0.000 1.402 360 L HN 0.625 nan 8.230 nan 0.000 0.550 361 Q N 0.000 119.844 119.800 0.074 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.864 55.803 0.101 0.000 1.022 361 Q CB 0.000 28.795 28.738 0.095 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481