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 1mxo_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 0.000 177.484 177.584 -0.167 0.000 1.274 4 A CA 0.000 51.990 52.037 -0.079 0.000 0.836 4 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 5 P HA 0.001 nan 4.420 nan 0.000 0.267 5 P C 0.867 178.068 177.300 -0.164 0.000 1.195 5 P CA -0.038 62.926 63.100 -0.226 0.000 0.773 5 P CB 0.608 32.107 31.700 -0.335 0.000 0.837 6 Q N 2.183 121.921 119.800 -0.103 0.000 2.124 6 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 6 Q C 1.855 177.809 176.000 -0.077 0.000 0.977 6 Q CA 1.921 57.686 55.803 -0.062 0.000 0.850 6 Q CB -0.216 28.498 28.738 -0.040 0.000 0.901 6 Q HN 0.564 nan 8.270 nan 0.000 0.429 7 Q N -0.140 119.584 119.800 -0.125 0.000 2.061 7 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 7 Q C 2.210 178.113 176.000 -0.161 0.000 0.984 7 Q CA 1.681 57.399 55.803 -0.140 0.000 0.846 7 Q CB -0.113 28.513 28.738 -0.186 0.000 0.902 7 Q HN 0.498 nan 8.270 nan 0.000 0.421 8 I N 0.910 121.341 120.570 -0.232 0.000 2.163 8 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 8 I C 2.034 178.120 176.117 -0.052 0.000 1.081 8 I CA 0.855 62.042 61.300 -0.189 0.000 1.353 8 I CB -0.587 37.237 38.000 -0.294 0.000 1.054 8 I HN 0.270 nan 8.210 nan 0.000 0.407 9 N N 0.987 119.707 118.700 0.033 0.000 2.094 9 N HA -0.253 4.487 4.740 -0.000 0.000 0.191 9 N C 1.500 177.044 175.510 0.057 0.000 1.023 9 N CA 1.965 55.093 53.050 0.131 0.000 0.857 9 N CB -0.559 38.003 38.487 0.125 0.000 1.013 9 N HN 0.428 nan 8.380 nan 0.000 0.426 10 D N 0.657 121.072 120.400 0.025 0.000 2.078 10 D HA -0.113 4.527 4.640 -0.000 0.000 0.193 10 D C 1.895 178.206 176.300 0.020 0.000 0.990 10 D CA 0.647 54.671 54.000 0.040 0.000 0.827 10 D CB -0.225 40.580 40.800 0.008 0.000 0.975 10 D HN 0.076 nan 8.370 nan 0.000 0.451 11 I N -0.126 120.426 120.570 -0.031 0.000 2.315 11 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 11 I C 2.097 178.182 176.117 -0.053 0.000 1.117 11 I CA 0.823 62.098 61.300 -0.041 0.000 1.404 11 I CB -0.238 37.728 38.000 -0.057 0.000 1.071 11 I HN 0.012 nan 8.210 nan 0.000 0.419 12 V N 0.290 120.137 119.914 -0.112 0.000 2.307 12 V HA -0.328 3.792 4.120 -0.000 0.000 0.245 12 V C 2.540 178.624 176.094 -0.017 0.000 1.045 12 V CA 2.317 64.506 62.300 -0.185 0.000 1.024 12 V CB -1.056 30.368 31.823 -0.665 0.000 0.651 12 V HN 0.563 nan 8.190 nan 0.000 0.449 13 H N 0.429 119.466 119.070 -0.055 0.000 2.321 13 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 13 H C 2.562 177.898 175.328 0.014 0.000 1.087 13 H CA 1.641 57.733 56.048 0.074 0.000 1.319 13 H CB 0.193 30.014 29.762 0.097 0.000 1.379 13 H HN 0.272 nan 8.280 nan 0.000 0.501 14 R N -0.477 119.997 120.500 -0.043 0.000 2.237 14 R HA -0.058 4.282 4.340 -0.000 0.000 0.219 14 R C 1.717 177.956 176.300 -0.101 0.000 1.080 14 R CA 1.406 57.432 56.100 -0.123 0.000 0.995 14 R CB 0.153 30.414 30.300 -0.065 0.000 0.875 14 R HN 0.370 nan 8.270 nan 0.000 0.462 15 T N 0.313 114.821 114.554 -0.077 0.000 3.044 15 T HA 0.114 4.464 4.350 -0.000 0.000 0.237 15 T C 1.752 176.378 174.700 -0.123 0.000 1.001 15 T CA 0.142 62.200 62.100 -0.071 0.000 1.160 15 T CB 0.210 69.061 68.868 -0.029 0.000 0.889 15 T HN -0.039 nan 8.240 nan 0.000 0.442 16 I N 2.497 122.960 120.570 -0.179 0.000 2.315 16 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 16 I C 2.552 178.370 176.117 -0.499 0.000 1.117 16 I CA 1.401 62.484 61.300 -0.363 0.000 1.404 16 I CB -1.911 35.737 38.000 -0.587 0.000 1.071 16 I HN 0.271 nan 8.210 nan 0.000 0.419 17 T N 1.894 116.199 114.554 -0.415 0.000 2.720 17 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 17 T C -0.242 174.304 174.700 -0.257 0.000 1.037 17 T CA 1.450 63.334 62.100 -0.360 0.000 1.144 17 T CB -1.403 67.376 68.868 -0.149 0.000 0.864 17 T HN 0.254 nan 8.240 nan 0.000 0.444 18 P HA 0.048 nan 4.420 nan 0.000 0.219 18 P C 1.646 178.855 177.300 -0.152 0.000 1.150 18 P CA 0.355 63.367 63.100 -0.147 0.000 0.814 18 P CB -0.141 31.490 31.700 -0.114 0.000 0.787 19 L N -0.441 120.674 121.223 -0.180 0.000 2.017 19 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 19 L C 2.125 178.844 176.870 -0.253 0.000 1.073 19 L CA 1.850 56.580 54.840 -0.183 0.000 0.745 19 L CB -1.191 40.761 42.059 -0.178 0.000 0.894 19 L HN -0.140 nan 8.230 nan 0.000 0.432 20 I N -0.466 119.916 120.570 -0.313 0.000 2.208 20 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 20 I C 2.597 178.592 176.117 -0.203 0.000 1.097 20 I CA 1.435 62.553 61.300 -0.303 0.000 1.363 20 I CB -0.525 37.263 38.000 -0.353 0.000 1.051 20 I HN 0.425 nan 8.210 nan 0.000 0.413 21 E N 1.045 121.143 120.200 -0.169 0.000 2.047 21 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 21 E C 2.138 178.682 176.600 -0.093 0.000 0.987 21 E CA 1.542 57.875 56.400 -0.112 0.000 0.799 21 E CB -0.042 29.601 29.700 -0.095 0.000 0.752 21 E HN 0.562 nan 8.360 nan 0.000 0.449 22 Q N -0.446 119.296 119.800 -0.097 0.000 2.119 22 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 22 Q C 1.915 177.877 176.000 -0.063 0.000 0.972 22 Q CA 0.981 56.743 55.803 -0.067 0.000 0.847 22 Q CB 0.110 28.816 28.738 -0.055 0.000 0.903 22 Q HN 0.174 nan 8.270 nan 0.000 0.433 23 Q N 0.185 119.921 119.800 -0.106 0.000 2.319 23 Q HA 0.086 4.426 4.340 -0.000 0.000 0.202 23 Q C -0.372 175.575 176.000 -0.088 0.000 0.896 23 Q CA 0.173 55.919 55.803 -0.095 0.000 0.942 23 Q CB 0.633 29.245 28.738 -0.210 0.000 1.083 23 Q HN 0.259 nan 8.270 nan 0.000 0.510 24 K N 0.938 121.280 120.400 -0.097 0.000 3.244 24 K HA -0.171 4.149 4.320 -0.000 0.000 0.270 24 K C -0.606 175.946 176.600 -0.080 0.000 1.016 24 K CA 0.246 56.488 56.287 -0.075 0.000 0.754 24 K CB -1.940 30.535 32.500 -0.042 0.000 1.326 24 K HN 0.261 nan 8.250 nan 0.000 0.465 25 I N 0.752 121.247 120.570 -0.124 0.000 2.396 25 I HA 0.041 4.211 4.170 -0.000 0.000 0.289 25 I C -0.988 175.102 176.117 -0.044 0.000 1.056 25 I CA -2.251 58.990 61.300 -0.098 0.000 1.365 25 I CB 0.915 38.796 38.000 -0.198 0.000 1.407 25 I HN 0.023 nan 8.210 nan 0.000 0.509 26 P HA -0.044 nan 4.420 nan 0.000 0.214 26 P C 0.397 177.748 177.300 0.084 0.000 1.162 26 P CA 0.597 63.687 63.100 -0.017 0.000 0.879 26 P CB 0.251 31.869 31.700 -0.137 0.000 0.786 27 G N -1.577 107.339 108.800 0.192 0.000 2.659 27 G HA2 0.707 4.667 3.960 -0.000 0.000 0.296 27 G HA3 0.707 4.667 3.960 -0.000 0.000 0.296 27 G C -1.803 173.340 174.900 0.406 0.000 1.369 27 G CA -0.373 44.909 45.100 0.302 0.000 0.937 27 G HN 0.067 nan 8.290 nan 0.000 0.485 28 M N 0.747 120.626 119.600 0.464 0.000 2.534 28 M HA 0.694 5.174 4.480 -0.000 0.000 0.280 28 M C -1.699 174.914 176.300 0.521 0.000 1.217 28 M CA -0.625 54.931 55.300 0.425 0.000 0.893 28 M CB 2.289 35.032 32.600 0.239 0.000 1.730 28 M HN 1.078 nan 8.290 nan 0.000 0.483 29 A N 2.807 125.808 122.820 0.302 0.000 2.422 29 A HA 0.870 5.190 4.320 -0.000 0.000 0.302 29 A C -1.871 175.914 177.584 0.334 0.000 1.041 29 A CA -0.602 51.638 52.037 0.337 0.000 0.708 29 A CB 1.932 21.062 19.000 0.218 0.000 1.257 29 A HN 0.625 nan 8.150 nan 0.000 0.414 30 V N 0.691 120.899 119.914 0.491 0.000 2.841 30 V HA 0.822 4.942 4.120 -0.000 0.000 0.310 30 V C 0.019 176.396 176.094 0.472 0.000 1.090 30 V CA -0.178 62.400 62.300 0.463 0.000 0.930 30 V CB 1.894 34.046 31.823 0.548 0.000 1.014 30 V HN 1.539 nan 8.190 nan 0.000 0.425 31 A N 3.685 126.703 122.820 0.330 0.000 2.371 31 A HA 0.905 5.225 4.320 -0.000 0.000 0.311 31 A C -1.237 176.449 177.584 0.170 0.000 1.068 31 A CA -0.580 51.566 52.037 0.180 0.000 0.744 31 A CB 1.899 20.947 19.000 0.079 0.000 1.239 31 A HN 0.679 nan 8.150 nan 0.000 0.435 32 V N 3.311 123.333 119.914 0.179 0.000 2.448 32 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 32 V C -0.921 175.271 176.094 0.165 0.000 1.025 32 V CA -0.344 62.078 62.300 0.202 0.000 0.859 32 V CB 1.439 33.435 31.823 0.288 0.000 0.988 32 V HN 0.731 nan 8.190 nan 0.000 0.431 33 I N 5.812 126.443 120.570 0.102 0.000 2.304 33 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 33 I C -0.650 175.572 176.117 0.174 0.000 1.018 33 I CA -0.338 60.999 61.300 0.061 0.000 1.260 33 I CB 0.729 38.699 38.000 -0.049 0.000 1.390 33 I HN 0.571 nan 8.210 nan 0.000 0.475 34 Y N 5.304 125.684 120.300 0.135 0.000 2.350 34 Y HA 0.361 4.911 4.550 0.000 0.000 0.338 34 Y C 0.542 176.497 175.900 0.093 0.000 0.961 34 Y CA -0.853 57.319 58.100 0.121 0.000 1.100 34 Y CB 1.105 39.664 38.460 0.164 0.000 1.179 34 Y HN 0.679 nan 8.280 nan 0.000 0.454 35 Q N 4.454 123.949 119.800 -0.508 0.000 2.457 35 Q HA -0.281 4.058 4.340 -0.000 0.000 0.283 35 Q C 1.108 177.013 176.000 -0.159 0.000 1.234 35 Q CA 1.375 56.953 55.803 -0.376 0.000 0.877 35 Q CB -1.371 27.128 28.738 -0.398 0.000 1.250 35 Q HN 1.361 nan 8.270 nan 0.000 0.481 36 G N -1.376 107.347 108.800 -0.129 0.000 2.284 36 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.247 36 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.247 36 G C 0.028 174.874 174.900 -0.090 0.000 1.012 36 G CA 0.439 45.474 45.100 -0.108 0.000 0.618 36 G HN 0.150 nan 8.290 nan 0.000 0.521 37 K N 1.789 122.156 120.400 -0.055 0.000 2.143 37 K HA 0.507 4.827 4.320 -0.000 0.000 0.272 37 K C -2.530 173.877 176.600 -0.321 0.000 1.001 37 K CA -1.899 54.290 56.287 -0.163 0.000 0.915 37 K CB 2.200 34.612 32.500 -0.146 0.000 1.047 37 K HN 0.254 nan 8.250 nan 0.000 0.458 38 P HA 0.309 nan 4.420 nan 0.000 0.286 38 P C -1.329 175.341 177.300 -1.051 0.000 1.261 38 P CA -0.464 62.273 63.100 -0.605 0.000 0.821 38 P CB 0.616 32.026 31.700 -0.483 0.000 1.013 39 Y N 0.943 120.962 120.300 -0.469 0.000 2.386 39 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 39 Y C -0.073 175.463 175.900 -0.607 0.000 1.002 39 Y CA -0.448 57.407 58.100 -0.410 0.000 1.068 39 Y CB 1.718 40.106 38.460 -0.119 0.000 1.203 39 Y HN 0.288 nan 8.280 nan 0.000 0.443 40 Y N 2.225 122.335 120.300 -0.316 0.000 2.528 40 Y HA 0.764 5.314 4.550 -0.000 0.000 0.335 40 Y C -0.903 174.510 175.900 -0.812 0.000 1.093 40 Y CA -1.479 56.433 58.100 -0.313 0.000 1.134 40 Y CB 1.572 39.938 38.460 -0.157 0.000 1.253 40 Y HN 0.384 nan 8.280 nan 0.000 0.478 41 F N -0.357 119.654 119.950 0.102 0.000 2.608 41 F HA 0.620 5.147 4.527 -0.000 0.000 0.309 41 F C -0.478 175.122 175.800 -0.333 0.000 1.103 41 F CA -0.922 56.921 58.000 -0.260 0.000 0.954 41 F CB 2.508 41.320 39.000 -0.313 0.000 1.267 41 F HN 0.431 nan 8.300 nan 0.000 0.444 42 T N -1.605 112.663 114.554 -0.477 0.000 2.900 42 T HA 0.702 5.052 4.350 -0.000 0.000 0.303 42 T C -1.665 172.831 174.700 -0.340 0.000 1.142 42 T CA -0.771 61.232 62.100 -0.162 0.000 1.007 42 T CB 1.988 70.861 68.868 0.008 0.000 1.156 42 T HN 0.624 nan 8.240 nan 0.000 0.490 43 W N 0.064 121.449 121.300 0.141 0.000 3.213 43 W HA 0.507 5.167 4.660 -0.000 0.000 0.318 43 W C 0.761 177.298 176.519 0.030 0.000 1.248 43 W CA -0.194 57.193 57.345 0.070 0.000 1.187 43 W CB 1.578 31.077 29.460 0.065 0.000 1.403 43 W HN 1.392 nan 8.180 nan 0.000 0.556 44 G N 1.047 109.927 108.800 0.133 0.000 2.601 44 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.261 44 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.261 44 G C -1.416 173.413 174.900 -0.119 0.000 1.289 44 G CA -0.309 44.715 45.100 -0.127 0.000 0.920 44 G HN 0.546 nan 8.290 nan 0.000 0.571 45 Y N 0.100 120.486 120.300 0.144 0.000 2.387 45 Y HA 0.542 5.092 4.550 -0.000 0.000 0.336 45 Y C 1.406 177.416 175.900 0.184 0.000 1.067 45 Y CA -0.385 57.796 58.100 0.135 0.000 1.114 45 Y CB 1.901 40.406 38.460 0.075 0.000 1.208 45 Y HN 0.780 nan 8.280 nan 0.000 0.458 46 A N 0.900 123.941 122.820 0.369 0.000 1.984 46 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 46 A C 0.224 178.028 177.584 0.366 0.000 1.173 46 A CA 1.025 53.222 52.037 0.267 0.000 0.673 46 A CB 0.145 19.237 19.000 0.152 0.000 0.830 46 A HN 0.686 nan 8.150 nan 0.000 0.453 47 D N -0.815 119.794 120.400 0.348 0.000 2.476 47 D HA 0.402 5.042 4.640 -0.000 0.000 0.251 47 D C 0.632 177.012 176.300 0.134 0.000 1.291 47 D CA -0.412 53.808 54.000 0.366 0.000 0.939 47 D CB 0.876 41.867 40.800 0.318 0.000 1.221 47 D HN 0.149 nan 8.370 nan 0.000 0.567 48 I N 2.320 122.968 120.570 0.129 0.000 2.142 48 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 48 I C 2.535 178.520 176.117 -0.221 0.000 1.078 48 I CA 1.191 62.399 61.300 -0.154 0.000 1.343 48 I CB -0.192 37.669 38.000 -0.231 0.000 1.046 48 I HN 0.448 nan 8.210 nan 0.000 0.405 49 A N 1.425 124.186 122.820 -0.099 0.000 1.869 49 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 49 A C 2.117 179.623 177.584 -0.130 0.000 1.203 49 A CA 2.086 54.055 52.037 -0.113 0.000 0.638 49 A CB -0.647 18.290 19.000 -0.105 0.000 0.831 49 A HN 0.434 nan 8.150 nan 0.000 0.450 50 K N -0.353 119.988 120.400 -0.099 0.000 2.505 50 K HA 0.135 4.455 4.320 -0.000 0.000 0.192 50 K C -0.339 176.170 176.600 -0.153 0.000 1.025 50 K CA 0.184 56.422 56.287 -0.083 0.000 1.086 50 K CB 0.037 32.532 32.500 -0.008 0.000 0.840 50 K HN 0.436 nan 8.250 nan 0.000 0.514 51 K N 1.887 122.080 120.400 -0.345 0.000 3.311 51 K HA -0.247 4.073 4.320 -0.000 0.000 0.270 51 K C -0.462 175.961 176.600 -0.296 0.000 0.927 51 K CA 0.470 56.342 56.287 -0.693 0.000 0.706 51 K CB -1.227 30.989 32.500 -0.473 0.000 1.418 51 K HN 0.409 nan 8.250 nan 0.000 0.459 52 Q N 1.321 121.064 119.800 -0.097 0.000 2.331 52 Q HA 0.217 4.557 4.340 -0.000 0.000 0.257 52 Q C -2.236 173.943 176.000 0.299 0.000 0.957 52 Q CA -2.212 53.657 55.803 0.109 0.000 0.923 52 Q CB 1.180 29.983 28.738 0.108 0.000 1.212 52 Q HN 0.034 nan 8.270 nan 0.000 0.443 53 P HA -0.016 nan 4.420 nan 0.000 0.275 53 P C -0.442 176.991 177.300 0.221 0.000 1.228 53 P CA -0.167 63.119 63.100 0.310 0.000 0.786 53 P CB 1.033 32.856 31.700 0.206 0.000 0.927 54 V N 3.549 123.603 119.914 0.234 0.000 2.585 54 V HA 0.164 4.284 4.120 -0.000 0.000 0.296 54 V C 1.349 177.554 176.094 0.185 0.000 1.035 54 V CA 0.823 63.272 62.300 0.249 0.000 1.084 54 V CB 0.336 32.388 31.823 0.382 0.000 0.953 54 V HN 0.873 nan 8.190 nan 0.000 0.483 55 T N 1.859 116.506 114.554 0.155 0.000 2.773 55 T HA 0.339 4.689 4.350 -0.000 0.000 0.278 55 T C 0.414 175.163 174.700 0.083 0.000 1.011 55 T CA -0.746 61.403 62.100 0.082 0.000 1.014 55 T CB 1.680 70.568 68.868 0.032 0.000 1.293 55 T HN 0.466 nan 8.240 nan 0.000 0.554 56 Q N -0.112 119.677 119.800 -0.019 0.000 2.482 56 Q HA 0.042 4.382 4.340 -0.000 0.000 0.209 56 Q C 1.232 177.177 176.000 -0.091 0.000 0.961 56 Q CA 0.729 56.479 55.803 -0.089 0.000 0.945 56 Q CB 0.025 28.602 28.738 -0.269 0.000 1.012 56 Q HN 0.688 nan 8.270 nan 0.000 0.515 57 Q N -0.306 119.455 119.800 -0.065 0.000 2.217 57 Q HA 0.119 4.459 4.340 -0.000 0.000 0.217 57 Q C -0.126 175.860 176.000 -0.024 0.000 0.844 57 Q CA -0.010 55.718 55.803 -0.126 0.000 0.957 57 Q CB 0.993 29.629 28.738 -0.169 0.000 1.127 57 Q HN 0.064 nan 8.270 nan 0.000 0.503 58 T N 2.165 116.758 114.554 0.066 0.000 2.834 58 T HA 0.201 4.551 4.350 -0.000 0.000 0.298 58 T C 0.009 174.759 174.700 0.083 0.000 0.966 58 T CA 0.127 62.259 62.100 0.053 0.000 1.141 58 T CB 0.461 69.364 68.868 0.059 0.000 0.905 58 T HN 0.143 nan 8.240 nan 0.000 0.535 59 L N 4.208 125.425 121.223 -0.009 0.000 2.292 59 L HA 0.501 4.841 4.340 -0.000 0.000 0.284 59 L C -0.496 176.334 176.870 -0.066 0.000 1.065 59 L CA -0.496 54.351 54.840 0.011 0.000 0.806 59 L CB 0.469 42.454 42.059 -0.123 0.000 1.175 59 L HN 0.545 nan 8.230 nan 0.000 0.431 60 F N 0.581 120.557 119.950 0.043 0.000 2.538 60 F HA 0.352 4.879 4.527 -0.000 0.000 0.325 60 F C 0.474 176.049 175.800 -0.374 0.000 1.066 60 F CA -0.885 57.111 58.000 -0.007 0.000 0.946 60 F CB 1.438 40.590 39.000 0.254 0.000 1.199 60 F HN 0.391 nan 8.300 nan 0.000 0.473 61 E N 2.769 122.469 120.200 -0.833 0.000 2.259 61 E HA 0.179 4.529 4.350 -0.000 0.000 0.281 61 E C 0.420 176.945 176.600 -0.125 0.000 1.037 61 E CA -0.100 55.986 56.400 -0.523 0.000 0.854 61 E CB 1.060 30.345 29.700 -0.692 0.000 1.051 61 E HN 0.624 nan 8.360 nan 0.000 0.409 62 L N 2.700 123.925 121.223 0.004 0.000 2.418 62 L HA 0.037 4.377 4.340 -0.000 0.000 0.218 62 L C 1.417 178.391 176.870 0.174 0.000 1.125 62 L CA 0.571 55.488 54.840 0.128 0.000 0.835 62 L CB -0.848 41.291 42.059 0.134 0.000 0.953 62 L HN 0.917 nan 8.230 nan 0.000 0.454 63 G N 0.404 109.304 108.800 0.166 0.000 2.596 63 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.295 63 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.295 63 G C 0.808 175.862 174.900 0.256 0.000 1.240 63 G CA 0.330 45.563 45.100 0.221 0.000 0.985 63 G HN 0.195 nan 8.290 nan 0.000 0.555 64 S N -0.202 115.650 115.700 0.253 0.000 2.500 64 S HA 0.019 4.489 4.470 -0.000 0.000 0.239 64 S C 2.330 177.069 174.600 0.233 0.000 0.989 64 S CA 1.292 59.658 58.200 0.277 0.000 0.951 64 S CB -0.118 63.282 63.200 0.333 0.000 0.759 64 S HN 0.761 nan 8.310 nan 0.000 0.523 65 V N 1.595 121.636 119.914 0.212 0.000 2.913 65 V HA -0.113 4.007 4.120 -0.000 0.000 0.260 65 V C 2.066 178.289 176.094 0.215 0.000 1.098 65 V CA 1.335 63.742 62.300 0.178 0.000 1.121 65 V CB -0.742 31.215 31.823 0.224 0.000 0.714 65 V HN 0.453 nan 8.190 nan 0.000 0.487 66 S N -0.261 115.593 115.700 0.256 0.000 2.419 66 S HA -0.194 4.276 4.470 -0.000 0.000 0.233 66 S C 1.922 176.692 174.600 0.285 0.000 1.016 66 S CA 1.104 59.491 58.200 0.312 0.000 0.974 66 S CB -0.233 63.083 63.200 0.192 0.000 0.786 66 S HN 0.627 nan 8.310 nan 0.000 0.492 67 K N 0.974 121.492 120.400 0.197 0.000 2.209 67 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 67 K C 2.422 179.059 176.600 0.061 0.000 1.048 67 K CA 1.605 57.988 56.287 0.161 0.000 0.940 67 K CB -0.446 32.172 32.500 0.197 0.000 0.729 67 K HN 0.616 nan 8.250 nan 0.000 0.451 68 T N -1.459 113.030 114.554 -0.109 0.000 2.904 68 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 68 T C 1.725 176.420 174.700 -0.008 0.000 1.059 68 T CA 0.708 62.551 62.100 -0.427 0.000 1.137 68 T CB -0.312 67.824 68.868 -1.219 0.000 0.879 68 T HN 0.009 nan 8.240 nan 0.000 0.467 69 F N 2.169 122.187 119.950 0.114 0.000 2.163 69 F HA 0.062 4.589 4.527 0.000 0.000 0.297 69 F C 2.994 178.861 175.800 0.111 0.000 1.094 69 F CA 1.283 59.321 58.000 0.062 0.000 1.290 69 F CB -1.060 37.853 39.000 -0.145 0.000 1.017 69 F HN 0.123 nan 8.300 nan 0.000 0.483 70 T N -0.529 114.225 114.554 0.333 0.000 2.746 70 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 70 T C 2.358 177.245 174.700 0.312 0.000 1.039 70 T CA 1.417 63.719 62.100 0.336 0.000 1.142 70 T CB -1.024 68.046 68.868 0.336 0.000 0.866 70 T HN 0.441 nan 8.240 nan 0.000 0.444 71 G N 0.953 109.909 108.800 0.260 0.000 2.421 71 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 71 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 71 G C 1.699 176.760 174.900 0.270 0.000 1.171 71 G CA 0.838 46.088 45.100 0.250 0.000 0.775 71 G HN 0.436 nan 8.290 nan 0.000 0.543 72 V N 0.600 120.679 119.914 0.275 0.000 2.427 72 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 72 V C 2.667 178.880 176.094 0.197 0.000 1.051 72 V CA 1.510 63.980 62.300 0.282 0.000 1.048 72 V CB -0.302 31.787 31.823 0.445 0.000 0.666 72 V HN 0.344 nan 8.190 nan 0.000 0.456 73 L N 1.312 122.624 121.223 0.148 0.000 2.083 73 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 73 L C 2.297 179.173 176.870 0.009 0.000 1.083 73 L CA 2.384 57.230 54.840 0.010 0.000 0.752 73 L CB -1.231 40.752 42.059 -0.127 0.000 0.899 73 L HN 0.259 nan 8.230 nan 0.000 0.433 74 G N -1.131 107.728 108.800 0.097 0.000 2.402 74 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 74 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 74 G C 1.524 176.523 174.900 0.165 0.000 1.162 74 G CA 0.529 45.697 45.100 0.113 0.000 0.777 74 G HN 0.581 nan 8.290 nan 0.000 0.539 75 G N 0.781 109.695 108.800 0.191 0.000 2.446 75 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 75 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 75 G C 1.460 176.415 174.900 0.093 0.000 1.168 75 G CA 1.445 46.636 45.100 0.151 0.000 0.771 75 G HN 0.501 nan 8.290 nan 0.000 0.551 76 D N 0.611 121.053 120.400 0.071 0.000 2.123 76 D HA 0.005 4.645 4.640 -0.000 0.000 0.196 76 D C 2.640 178.943 176.300 0.005 0.000 0.992 76 D CA 1.566 55.585 54.000 0.032 0.000 0.833 76 D CB -0.309 40.499 40.800 0.013 0.000 0.954 76 D HN 0.257 nan 8.370 nan 0.000 0.455 77 A N -0.128 122.684 122.820 -0.014 0.000 1.969 77 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 77 A C 2.335 179.915 177.584 -0.007 0.000 1.169 77 A CA 1.035 53.048 52.037 -0.040 0.000 0.635 77 A CB -0.695 18.245 19.000 -0.101 0.000 0.810 77 A HN 0.392 nan 8.150 nan 0.000 0.445 78 I N -0.254 120.332 120.570 0.026 0.000 2.202 78 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 78 I C 2.941 179.082 176.117 0.040 0.000 1.091 78 I CA 1.033 62.361 61.300 0.047 0.000 1.368 78 I CB -0.319 37.730 38.000 0.080 0.000 1.058 78 I HN 0.327 nan 8.210 nan 0.000 0.410 79 A N 0.734 123.577 122.820 0.038 0.000 1.933 79 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 79 A C 2.297 179.892 177.584 0.018 0.000 1.175 79 A CA 1.426 53.480 52.037 0.029 0.000 0.628 79 A CB -0.582 18.435 19.000 0.027 0.000 0.814 79 A HN 0.336 nan 8.150 nan 0.000 0.444 80 R N -1.306 119.200 120.500 0.010 0.000 2.339 80 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 80 R C 1.378 177.684 176.300 0.010 0.000 1.018 80 R CA 0.527 56.628 56.100 0.003 0.000 1.036 80 R CB -0.285 30.008 30.300 -0.011 0.000 0.899 80 R HN 0.710 nan 8.270 nan 0.000 0.473 81 G N 0.999 109.811 108.800 0.020 0.000 2.168 81 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.263 81 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.263 81 G C 0.606 175.529 174.900 0.039 0.000 0.977 81 G CA 0.725 45.844 45.100 0.030 0.000 0.659 81 G HN 0.477 nan 8.290 nan 0.000 0.533 82 E N -0.436 119.781 120.200 0.028 0.000 2.152 82 E HA 0.201 4.551 4.350 -0.000 0.000 0.192 82 E C 1.568 178.216 176.600 0.080 0.000 0.983 82 E CA 1.192 57.614 56.400 0.037 0.000 0.818 82 E CB 0.120 29.817 29.700 -0.005 0.000 0.758 82 E HN 0.914 nan 8.360 nan 0.000 0.467 83 I N -2.733 117.866 120.570 0.048 0.000 3.191 83 I HA 0.500 4.670 4.170 -0.000 0.000 0.313 83 I C -1.433 174.743 176.117 0.099 0.000 1.193 83 I CA -1.288 60.052 61.300 0.067 0.000 0.968 83 I CB 2.331 40.199 38.000 -0.220 0.000 1.262 83 I HN -0.345 nan 8.210 nan 0.000 0.456 84 K N 2.503 122.999 120.400 0.161 0.000 2.427 84 K HA 0.493 4.813 4.320 -0.000 0.000 0.252 84 K C 0.049 176.730 176.600 0.136 0.000 0.931 84 K CA -0.739 55.628 56.287 0.133 0.000 0.793 84 K CB 2.901 35.482 32.500 0.135 0.000 1.211 84 K HN 0.607 nan 8.250 nan 0.000 0.426 85 L N 1.067 122.347 121.223 0.094 0.000 2.275 85 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 85 L C 1.927 178.827 176.870 0.049 0.000 1.119 85 L CA 1.297 56.170 54.840 0.055 0.000 0.790 85 L CB -0.263 41.779 42.059 -0.028 0.000 0.919 85 L HN 0.705 nan 8.230 nan 0.000 0.443 86 S N -2.696 113.046 115.700 0.069 0.000 2.562 86 S HA 0.006 4.476 4.470 -0.000 0.000 0.221 86 S C 0.564 175.229 174.600 0.108 0.000 0.975 86 S CA -0.285 57.953 58.200 0.064 0.000 0.918 86 S CB -0.323 62.912 63.200 0.058 0.000 0.772 86 S HN 0.214 nan 8.310 nan 0.000 0.531 87 D N 3.689 124.191 120.400 0.169 0.000 2.372 87 D HA 0.367 5.007 4.640 -0.000 0.000 0.243 87 D C -2.577 173.865 176.300 0.237 0.000 1.121 87 D CA -1.673 52.455 54.000 0.213 0.000 0.898 87 D CB 0.658 41.670 40.800 0.353 0.000 1.202 87 D HN 0.143 nan 8.370 nan 0.000 0.428 88 P HA 0.055 nan 4.420 nan 0.000 0.269 88 P C 0.738 178.194 177.300 0.260 0.000 1.209 88 P CA -0.060 63.164 63.100 0.206 0.000 0.776 88 P CB 0.606 32.390 31.700 0.141 0.000 0.876 89 T N 0.432 115.171 114.554 0.308 0.000 2.759 89 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 89 T C 1.471 176.310 174.700 0.231 0.000 1.042 89 T CA 1.921 64.211 62.100 0.318 0.000 1.140 89 T CB -0.867 68.206 68.868 0.341 0.000 0.864 89 T HN 0.487 nan 8.240 nan 0.000 0.455 90 T N 1.518 116.158 114.554 0.144 0.000 2.977 90 T HA -0.056 4.294 4.350 -0.000 0.000 0.271 90 T C 1.817 176.524 174.700 0.012 0.000 1.105 90 T CA 0.925 63.057 62.100 0.054 0.000 1.116 90 T CB -0.119 68.767 68.868 0.031 0.000 0.878 90 T HN 0.458 nan 8.240 nan 0.000 0.509 91 K N 0.497 120.859 120.400 -0.064 0.000 2.097 91 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 91 K C 1.046 177.388 176.600 -0.430 0.000 1.049 91 K CA 1.314 57.415 56.287 -0.310 0.000 0.933 91 K CB -0.104 32.077 32.500 -0.532 0.000 0.717 91 K HN 0.446 nan 8.250 nan 0.000 0.442 92 Y N -2.355 117.987 120.300 0.069 0.000 2.458 92 Y HA 0.138 4.688 4.550 -0.000 0.000 0.256 92 Y C 0.067 176.022 175.900 0.092 0.000 1.159 92 Y CA -0.632 57.493 58.100 0.043 0.000 1.261 92 Y CB 0.524 38.983 38.460 -0.002 0.000 1.119 92 Y HN 0.128 nan 8.280 nan 0.000 0.524 93 W N 2.128 123.423 121.300 -0.009 0.000 2.073 93 W HA 0.396 5.056 4.660 -0.000 0.000 0.295 93 W C -2.595 173.868 176.519 -0.093 0.000 1.005 93 W CA -3.616 53.687 57.345 -0.070 0.000 1.451 93 W CB 0.960 30.334 29.460 -0.144 0.000 1.515 93 W HN -0.092 nan 8.180 nan 0.000 0.341 94 P HA -0.223 nan 4.420 nan 0.000 0.217 94 P C 1.223 178.493 177.300 -0.049 0.000 1.148 94 P CA 2.029 65.150 63.100 0.035 0.000 0.828 94 P CB 0.363 32.089 31.700 0.043 0.000 0.783 95 E N -1.142 119.016 120.200 -0.069 0.000 2.418 95 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 95 E C 0.432 176.769 176.600 -0.438 0.000 1.026 95 E CA 0.155 56.435 56.400 -0.200 0.000 0.862 95 E CB -0.313 29.322 29.700 -0.108 0.000 0.799 95 E HN 0.163 nan 8.360 nan 0.000 0.518 96 L N 2.161 122.986 121.223 -0.663 0.000 2.384 96 L HA 0.020 4.360 4.340 -0.000 0.000 0.258 96 L C 1.219 177.867 176.870 -0.369 0.000 1.266 96 L CA 0.500 54.880 54.840 -0.766 0.000 1.162 96 L CB -0.045 41.355 42.059 -1.099 0.000 1.375 96 L HN -0.067 nan 8.230 nan 0.000 0.420 97 T N -0.628 113.795 114.554 -0.218 0.000 3.065 97 T HA 0.308 4.658 4.350 -0.000 0.000 0.252 97 T C 0.967 175.680 174.700 0.021 0.000 1.099 97 T CA 0.236 62.293 62.100 -0.071 0.000 1.063 97 T CB -0.037 68.797 68.868 -0.056 0.000 0.948 97 T HN 0.520 nan 8.240 nan 0.000 0.506 98 A N 2.816 125.672 122.820 0.061 0.000 2.565 98 A HA 0.224 4.544 4.320 -0.000 0.000 0.237 98 A C 1.671 179.380 177.584 0.207 0.000 1.053 98 A CA 0.166 52.294 52.037 0.151 0.000 0.755 98 A CB 0.139 19.279 19.000 0.233 0.000 0.980 98 A HN 0.695 nan 8.150 nan 0.000 0.506 99 K N 1.950 122.415 120.400 0.109 0.000 2.152 99 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 99 K C 1.455 178.094 176.600 0.065 0.000 1.048 99 K CA 1.611 57.945 56.287 0.078 0.000 0.933 99 K CB -0.131 32.385 32.500 0.027 0.000 0.721 99 K HN 0.823 nan 8.250 nan 0.000 0.447 100 Q N 0.308 120.118 119.800 0.015 0.000 2.500 100 Q HA -0.154 4.186 4.340 -0.000 0.000 0.213 100 Q C 0.726 176.626 176.000 -0.167 0.000 0.974 100 Q CA 1.107 56.827 55.803 -0.139 0.000 0.918 100 Q CB -0.367 28.180 28.738 -0.319 0.000 0.980 100 Q HN 0.604 nan 8.270 nan 0.000 0.505 101 W N 1.781 123.130 121.300 0.081 0.000 3.139 101 W HA 0.186 4.846 4.660 -0.000 0.000 0.260 101 W C 0.109 176.689 176.519 0.103 0.000 1.312 101 W CA -0.605 56.814 57.345 0.124 0.000 1.606 101 W CB 0.202 29.716 29.460 0.091 0.000 1.118 101 W HN -0.025 nan 8.180 nan 0.000 0.675 102 N N 0.873 119.705 118.700 0.220 0.000 2.447 102 N HA 0.186 4.926 4.740 -0.000 0.000 0.263 102 N C 1.179 176.779 175.510 0.150 0.000 1.226 102 N CA 1.623 54.773 53.050 0.166 0.000 0.906 102 N CB 0.680 39.231 38.487 0.106 0.000 1.060 102 N HN 0.253 nan 8.380 nan 0.000 0.468 103 G N 1.566 110.474 108.800 0.181 0.000 2.176 103 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 103 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 103 G C 0.079 175.146 174.900 0.278 0.000 0.979 103 G CA -0.339 44.879 45.100 0.195 0.000 0.641 103 G HN 0.567 nan 8.290 nan 0.000 0.530 104 I N 2.930 123.684 120.570 0.306 0.000 2.297 104 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 104 I C 1.200 177.612 176.117 0.492 0.000 1.033 104 I CA 0.084 61.633 61.300 0.414 0.000 1.253 104 I CB 1.082 39.267 38.000 0.308 0.000 1.396 104 I HN 0.300 nan 8.210 nan 0.000 0.476 105 T N 3.071 117.961 114.554 0.560 0.000 2.897 105 T HA 0.430 4.780 4.350 -0.000 0.000 0.278 105 T C 1.245 176.076 174.700 0.218 0.000 0.981 105 T CA -0.836 61.420 62.100 0.260 0.000 0.973 105 T CB 1.440 70.328 68.868 0.033 0.000 1.092 105 T HN 0.407 nan 8.240 nan 0.000 0.543 106 L N 0.314 121.651 121.223 0.191 0.000 2.131 106 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 106 L C 2.537 179.409 176.870 0.004 0.000 1.092 106 L CA 0.841 55.802 54.840 0.201 0.000 0.759 106 L CB -0.769 41.440 42.059 0.250 0.000 0.903 106 L HN 0.613 nan 8.230 nan 0.000 0.435 107 L N -0.503 120.666 121.223 -0.090 0.000 2.012 107 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 107 L C 2.719 179.525 176.870 -0.107 0.000 1.073 107 L CA 1.928 56.640 54.840 -0.212 0.000 0.748 107 L CB -0.812 41.127 42.059 -0.201 0.000 0.891 107 L HN 0.242 nan 8.230 nan 0.000 0.431 108 H N -0.128 118.998 119.070 0.093 0.000 2.319 108 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 108 H C 2.369 177.693 175.328 -0.007 0.000 1.092 108 H CA 2.129 58.225 56.048 0.080 0.000 1.302 108 H CB -0.577 29.255 29.762 0.117 0.000 1.373 108 H HN 0.386 nan 8.280 nan 0.000 0.497 109 L N 0.075 121.384 121.223 0.142 0.000 2.046 109 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 109 L C 2.882 179.682 176.870 -0.117 0.000 1.077 109 L CA 1.021 55.911 54.840 0.084 0.000 0.747 109 L CB -0.596 41.578 42.059 0.191 0.000 0.896 109 L HN 0.211 nan 8.230 nan 0.000 0.432 110 A N -0.078 122.496 122.820 -0.411 0.000 1.969 110 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 110 A C 2.129 179.295 177.584 -0.696 0.000 1.169 110 A CA 2.008 53.557 52.037 -0.813 0.000 0.635 110 A CB -0.690 17.353 19.000 -1.596 0.000 0.810 110 A HN 0.515 nan 8.150 nan 0.000 0.445 111 T N -5.833 108.424 114.554 -0.495 0.000 3.134 111 T HA 0.316 4.666 4.350 -0.000 0.000 0.260 111 T C 0.261 174.727 174.700 -0.390 0.000 1.027 111 T CA 0.217 62.042 62.100 -0.457 0.000 0.913 111 T CB -0.885 68.013 68.868 0.049 0.000 1.046 111 T HN 0.700 nan 8.240 nan 0.000 0.553 112 Y N 0.892 121.175 120.300 -0.029 0.000 3.929 112 Y HA -0.276 4.274 4.550 0.000 0.000 0.225 112 Y C 1.128 176.983 175.900 -0.076 0.000 1.200 112 Y CA 0.485 58.566 58.100 -0.032 0.000 1.791 112 Y CB -2.988 35.469 38.460 -0.006 0.000 1.561 112 Y HN 0.591 nan 8.280 nan 0.000 0.657 113 T N -4.251 110.291 114.554 -0.021 0.000 3.228 113 T HA 0.658 5.007 4.350 -0.000 0.000 0.278 113 T C 1.362 176.016 174.700 -0.075 0.000 1.014 113 T CA 0.121 62.124 62.100 -0.161 0.000 0.904 113 T CB 0.811 69.333 68.868 -0.576 0.000 1.110 113 T HN 0.494 nan 8.240 nan 0.000 0.541 114 A N 1.368 124.203 122.820 0.025 0.000 2.121 114 A HA 0.547 4.867 4.320 -0.000 0.000 0.218 114 A C 1.906 179.538 177.584 0.080 0.000 1.154 114 A CA 0.701 52.732 52.037 -0.009 0.000 0.679 114 A CB -0.838 18.152 19.000 -0.017 0.000 0.795 114 A HN 1.498 nan 8.150 nan 0.000 0.458 115 G N -3.247 105.682 108.800 0.216 0.000 2.189 115 G HA2 0.401 4.361 3.960 -0.000 0.000 0.113 115 G HA3 0.401 4.361 3.960 -0.000 0.000 0.113 115 G C 0.996 176.223 174.900 0.546 0.000 1.038 115 G CA 0.370 45.707 45.100 0.396 0.000 0.704 115 G HN 1.980 nan 8.290 nan 0.000 0.490 116 G N -0.911 108.224 108.800 0.558 0.000 2.135 116 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.183 116 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.183 116 G C 0.458 175.603 174.900 0.408 0.000 1.004 116 G CA -0.005 45.373 45.100 0.464 0.000 0.677 116 G HN 1.244 nan 8.290 nan 0.000 0.512 117 L N 2.104 123.404 121.223 0.128 0.000 2.514 117 L HA 0.232 4.572 4.340 -0.000 0.000 0.280 117 L C -0.756 176.158 176.870 0.072 0.000 1.223 117 L CA -1.170 53.533 54.840 -0.227 0.000 0.864 117 L CB 0.352 42.233 42.059 -0.296 0.000 1.118 117 L HN 0.105 nan 8.230 nan 0.000 0.494 118 P HA -0.076 nan 4.420 nan 0.000 0.269 118 P C 0.579 177.949 177.300 0.116 0.000 1.209 118 P CA -0.416 62.783 63.100 0.165 0.000 0.776 118 P CB 1.027 32.862 31.700 0.225 0.000 0.876 119 L N 1.957 123.239 121.223 0.098 0.000 2.051 119 L HA -0.163 4.177 4.340 -0.000 0.000 0.214 119 L C 0.949 177.850 176.870 0.052 0.000 1.076 119 L CA 2.178 57.057 54.840 0.065 0.000 0.758 119 L CB -0.843 41.268 42.059 0.086 0.000 0.890 119 L HN 0.488 nan 8.230 nan 0.000 0.433 120 Q N -1.957 117.876 119.800 0.055 0.000 2.413 120 Q HA 0.533 4.873 4.340 -0.000 0.000 0.276 120 Q C -1.201 174.785 176.000 -0.023 0.000 1.099 120 Q CA -0.694 55.126 55.803 0.029 0.000 0.814 120 Q CB 2.496 31.241 28.738 0.011 0.000 1.379 120 Q HN -0.038 nan 8.270 nan 0.000 0.436 121 V N 3.494 123.353 119.914 -0.091 0.000 2.530 121 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 121 V C -2.091 173.830 176.094 -0.287 0.000 1.048 121 V CA -1.466 60.623 62.300 -0.352 0.000 0.997 121 V CB 0.785 32.420 31.823 -0.313 0.000 0.987 121 V HN 0.737 nan 8.190 nan 0.000 0.477 122 P HA -0.013 nan 4.420 nan 0.000 0.265 122 P C 0.596 177.811 177.300 -0.142 0.000 1.187 122 P CA 0.136 63.125 63.100 -0.185 0.000 0.766 122 P CB 0.464 32.067 31.700 -0.162 0.000 0.820 123 D N 1.974 122.333 120.400 -0.068 0.000 2.221 123 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 123 D C 1.102 177.380 176.300 -0.036 0.000 0.982 123 D CA 1.522 55.499 54.000 -0.038 0.000 0.857 123 D CB 0.045 40.837 40.800 -0.012 0.000 0.934 123 D HN 0.335 nan 8.370 nan 0.000 0.475 124 E N -0.557 119.619 120.200 -0.040 0.000 2.274 124 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 124 E C 0.386 176.966 176.600 -0.033 0.000 0.996 124 E CA 0.084 56.470 56.400 -0.024 0.000 0.840 124 E CB 0.141 29.834 29.700 -0.011 0.000 0.772 124 E HN 0.095 nan 8.360 nan 0.000 0.491 125 V N 1.874 121.742 119.914 -0.077 0.000 2.485 125 V HA -0.034 4.086 4.120 -0.000 0.000 0.287 125 V C 0.779 176.845 176.094 -0.047 0.000 1.022 125 V CA 0.762 63.013 62.300 -0.082 0.000 1.067 125 V CB 0.882 32.573 31.823 -0.220 0.000 0.967 125 V HN 0.192 nan 8.190 nan 0.000 0.479 126 K N 2.470 122.864 120.400 -0.009 0.000 2.644 126 K HA 0.206 4.526 4.320 -0.000 0.000 0.231 126 K C 0.920 177.529 176.600 0.015 0.000 1.493 126 K CA 0.255 56.542 56.287 0.000 0.000 0.836 126 K CB -0.043 32.460 32.500 0.005 0.000 1.853 126 K HN 0.651 nan 8.250 nan 0.000 0.390 127 S N 0.886 116.603 115.700 0.027 0.000 2.580 127 S HA 0.015 4.485 4.470 -0.000 0.000 0.261 127 S C 1.071 175.710 174.600 0.064 0.000 1.366 127 S CA -0.106 58.116 58.200 0.037 0.000 0.996 127 S CB 1.140 64.364 63.200 0.040 0.000 0.902 127 S HN 0.205 nan 8.310 nan 0.000 0.566 128 S N 1.316 117.054 115.700 0.064 0.000 2.382 128 S HA -0.092 4.378 4.470 -0.000 0.000 0.228 128 S C 2.196 176.899 174.600 0.171 0.000 1.027 128 S CA 1.361 59.621 58.200 0.101 0.000 0.991 128 S CB -0.717 62.522 63.200 0.066 0.000 0.823 128 S HN 0.734 nan 8.310 nan 0.000 0.469 129 S N 1.819 117.596 115.700 0.127 0.000 2.356 129 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 129 S C 1.563 176.250 174.600 0.145 0.000 1.032 129 S CA 1.317 59.594 58.200 0.128 0.000 1.005 129 S CB -0.520 62.731 63.200 0.085 0.000 0.867 129 S HN 0.474 nan 8.310 nan 0.000 0.449 130 D N 1.135 121.610 120.400 0.125 0.000 2.123 130 D HA -0.065 4.575 4.640 -0.000 0.000 0.196 130 D C 1.868 178.289 176.300 0.202 0.000 0.992 130 D CA 0.582 54.657 54.000 0.126 0.000 0.833 130 D CB -0.439 40.407 40.800 0.075 0.000 0.954 130 D HN 0.172 nan 8.370 nan 0.000 0.455 131 L N 0.441 121.814 121.223 0.250 0.000 2.017 131 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 131 L C 2.171 179.404 176.870 0.605 0.000 1.073 131 L CA 1.119 56.213 54.840 0.424 0.000 0.745 131 L CB -0.640 41.660 42.059 0.401 0.000 0.894 131 L HN 0.023 nan 8.230 nan 0.000 0.432 132 L N -0.506 121.015 121.223 0.496 0.000 2.017 132 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 132 L C 2.703 179.641 176.870 0.112 0.000 1.073 132 L CA 1.835 56.818 54.840 0.238 0.000 0.745 132 L CB -0.646 41.519 42.059 0.176 0.000 0.894 132 L HN 0.258 nan 8.230 nan 0.000 0.432 133 R N -1.413 119.181 120.500 0.157 0.000 2.083 133 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 133 R C 2.326 178.721 176.300 0.159 0.000 1.137 133 R CA 2.083 58.258 56.100 0.124 0.000 0.951 133 R CB -0.663 29.712 30.300 0.125 0.000 0.851 133 R HN 0.459 nan 8.270 nan 0.000 0.434 134 F N 0.213 120.194 119.950 0.052 0.000 2.065 134 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 134 F C 1.520 177.338 175.800 0.029 0.000 1.112 134 F CA 1.648 59.638 58.000 -0.017 0.000 1.212 134 F CB -0.696 38.216 39.000 -0.147 0.000 0.975 134 F HN 0.043 nan 8.300 nan 0.000 0.476 135 Y N 0.400 120.652 120.300 -0.081 0.000 2.263 135 Y HA -0.149 4.401 4.550 0.000 0.000 0.292 135 Y C 2.647 178.656 175.900 0.182 0.000 1.130 135 Y CA 1.504 59.574 58.100 -0.049 0.000 1.179 135 Y CB -0.910 37.493 38.460 -0.096 0.000 0.998 135 Y HN 0.139 nan 8.280 nan 0.000 0.532 136 Q N -0.022 119.855 119.800 0.128 0.000 2.226 136 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 136 Q C 1.292 177.398 176.000 0.176 0.000 0.975 136 Q CA 1.026 56.903 55.803 0.122 0.000 0.866 136 Q CB -0.220 28.504 28.738 -0.023 0.000 0.915 136 Q HN 0.521 nan 8.270 nan 0.000 0.440 137 N N -0.787 117.984 118.700 0.118 0.000 2.392 137 N HA -0.053 4.687 4.740 -0.000 0.000 0.177 137 N C 0.021 175.559 175.510 0.046 0.000 1.066 137 N CA -0.056 53.033 53.050 0.065 0.000 0.895 137 N CB 0.002 38.519 38.487 0.051 0.000 0.988 137 N HN 0.211 nan 8.380 nan 0.000 0.457 138 W N 3.282 124.500 121.300 -0.137 0.000 2.257 138 W HA 0.039 4.699 4.660 -0.000 0.000 0.337 138 W C -0.392 176.028 176.519 -0.165 0.000 1.321 138 W CA 0.240 57.461 57.345 -0.207 0.000 1.267 138 W CB 0.509 29.791 29.460 -0.296 0.000 1.187 138 W HN -0.094 nan 8.180 nan 0.000 0.565 139 Q N 7.322 126.502 119.800 -1.034 0.000 2.331 139 Q HA 0.322 4.662 4.340 -0.000 0.000 0.267 139 Q C -2.137 172.937 176.000 -1.542 0.000 1.006 139 Q CA -2.179 52.979 55.803 -1.076 0.000 0.818 139 Q CB 1.319 29.730 28.738 -0.546 0.000 1.276 139 Q HN 0.331 nan 8.270 nan 0.000 0.450 140 P HA 0.028 nan 4.420 nan 0.000 0.265 140 P C -0.066 176.836 177.300 -0.663 0.000 1.193 140 P CA 0.235 62.678 63.100 -1.095 0.000 0.765 140 P CB 0.776 32.026 31.700 -0.750 0.000 0.823 141 A N 2.847 125.283 122.820 -0.640 0.000 2.021 141 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 141 A C 0.171 177.051 177.584 -1.174 0.000 1.163 141 A CA 0.831 52.221 52.037 -1.079 0.000 0.676 141 A CB -0.148 17.772 19.000 -1.800 0.000 0.818 141 A HN 0.542 nan 8.150 nan 0.000 0.453 142 W N -2.947 118.306 121.300 -0.077 0.000 3.018 142 W HA 0.635 5.295 4.660 -0.000 0.000 0.352 142 W C -0.075 176.388 176.519 -0.092 0.000 1.230 142 W CA -1.189 56.112 57.345 -0.073 0.000 1.162 142 W CB 0.894 30.325 29.460 -0.048 0.000 1.483 142 W HN 0.118 nan 8.180 nan 0.000 0.584 143 A N 2.033 124.950 122.820 0.161 0.000 2.386 143 A HA 0.581 4.901 4.320 -0.000 0.000 0.248 143 A C -2.284 175.308 177.584 0.014 0.000 1.082 143 A CA -0.889 51.175 52.037 0.045 0.000 0.789 143 A CB -0.659 18.366 19.000 0.040 0.000 1.025 143 A HN 0.121 nan 8.150 nan 0.000 0.490 144 P HA 0.271 nan 4.420 nan 0.000 0.266 144 P C 0.836 177.995 177.300 -0.235 0.000 1.195 144 P CA 1.745 64.660 63.100 -0.307 0.000 0.768 144 P CB 0.543 31.980 31.700 -0.439 0.000 0.838 145 G N 1.776 110.396 108.800 -0.299 0.000 2.198 145 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 145 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 145 G C 0.681 175.530 174.900 -0.086 0.000 1.025 145 G CA 0.756 45.840 45.100 -0.026 0.000 0.769 145 G HN 0.664 nan 8.290 nan 0.000 0.507 146 T N -5.037 109.427 114.554 -0.150 0.000 3.019 146 T HA 0.428 4.778 4.350 -0.000 0.000 0.247 146 T C 0.583 175.131 174.700 -0.254 0.000 0.992 146 T CA 0.770 62.796 62.100 -0.122 0.000 1.036 146 T CB 0.628 69.466 68.868 -0.050 0.000 1.063 146 T HN 0.274 nan 8.240 nan 0.000 0.476 147 Q N 0.984 120.586 119.800 -0.331 0.000 2.375 147 Q HA 0.488 4.828 4.340 -0.000 0.000 0.271 147 Q C -1.314 174.475 176.000 -0.350 0.000 1.074 147 Q CA -0.527 54.993 55.803 -0.471 0.000 0.808 147 Q CB 3.122 31.266 28.738 -0.990 0.000 1.327 147 Q HN 0.381 nan 8.270 nan 0.000 0.441 148 R N 2.210 122.535 120.500 -0.291 0.000 2.255 148 R HA 0.505 4.845 4.340 -0.000 0.000 0.326 148 R C -1.214 175.055 176.300 -0.053 0.000 0.986 148 R CA -0.563 55.457 56.100 -0.134 0.000 0.847 148 R CB 0.433 30.692 30.300 -0.068 0.000 1.111 148 R HN 0.430 nan 8.270 nan 0.000 0.452 149 L N 6.156 127.417 121.223 0.063 0.000 2.427 149 L HA 0.261 4.601 4.340 -0.000 0.000 0.264 149 L C -1.341 175.561 176.870 0.054 0.000 0.989 149 L CA -0.723 54.179 54.840 0.104 0.000 0.865 149 L CB 0.932 43.142 42.059 0.251 0.000 1.209 149 L HN 0.609 nan 8.230 nan 0.000 0.430 150 Y N 4.671 124.835 120.300 -0.227 0.000 2.895 150 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 150 Y C 0.097 175.792 175.900 -0.342 0.000 1.261 150 Y CA 1.022 58.747 58.100 -0.626 0.000 1.560 150 Y CB 0.426 38.613 38.460 -0.455 0.000 1.253 150 Y HN 0.821 nan 8.280 nan 0.000 0.582 151 A N 5.608 127.953 122.820 -0.792 0.000 2.513 151 A HA 0.294 4.614 4.320 -0.000 0.000 0.296 151 A C -0.163 177.303 177.584 -0.198 0.000 1.052 151 A CA -0.906 50.959 52.037 -0.286 0.000 0.714 151 A CB 0.892 19.886 19.000 -0.010 0.000 1.279 151 A HN 0.782 nan 8.150 nan 0.000 0.397 152 N N 1.076 119.719 118.700 -0.096 0.000 2.188 152 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 152 N C 2.024 177.597 175.510 0.106 0.000 1.018 152 N CA 1.895 54.965 53.050 0.032 0.000 0.858 152 N CB -0.097 38.473 38.487 0.139 0.000 0.989 152 N HN 0.843 nan 8.380 nan 0.000 0.426 153 S N -0.901 114.881 115.700 0.137 0.000 2.474 153 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 153 S C 2.016 176.795 174.600 0.299 0.000 0.997 153 S CA 0.987 59.346 58.200 0.264 0.000 0.949 153 S CB -0.042 63.344 63.200 0.311 0.000 0.766 153 S HN 0.182 nan 8.310 nan 0.000 0.517 154 S N 1.193 117.012 115.700 0.199 0.000 2.324 154 S HA 0.243 4.713 4.470 -0.000 0.000 0.210 154 S C 1.641 176.342 174.600 0.169 0.000 1.027 154 S CA 0.509 58.822 58.200 0.189 0.000 0.945 154 S CB -0.576 62.756 63.200 0.219 0.000 0.908 154 S HN 0.575 nan 8.310 nan 0.000 0.496 155 I N 1.241 121.914 120.570 0.171 0.000 2.493 155 I HA -0.004 4.166 4.170 -0.000 0.000 0.254 155 I C 2.091 178.299 176.117 0.152 0.000 1.160 155 I CA 1.207 62.592 61.300 0.140 0.000 1.445 155 I CB -0.589 37.479 38.000 0.114 0.000 1.086 155 I HN 0.478 nan 8.210 nan 0.000 0.433 156 G N 0.989 109.844 108.800 0.091 0.000 2.418 156 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 156 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 156 G C 1.533 176.403 174.900 -0.050 0.000 1.158 156 G CA 0.860 45.948 45.100 -0.020 0.000 0.771 156 G HN 0.399 nan 8.290 nan 0.000 0.545 157 L N -0.328 120.917 121.223 0.038 0.000 2.109 157 L HA 0.202 4.542 4.340 -0.000 0.000 0.207 157 L C 2.386 179.228 176.870 -0.046 0.000 1.086 157 L CA 1.269 56.076 54.840 -0.056 0.000 0.760 157 L CB -0.659 41.326 42.059 -0.123 0.000 0.910 157 L HN 0.218 nan 8.230 nan 0.000 0.437 158 F N 0.542 120.442 119.950 -0.084 0.000 2.069 158 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 158 F C 2.187 177.931 175.800 -0.093 0.000 1.113 158 F CA 1.843 59.793 58.000 -0.084 0.000 1.214 158 F CB -1.098 37.861 39.000 -0.068 0.000 0.978 158 F HN 0.109 nan 8.300 nan 0.000 0.474 159 G N -0.287 108.377 108.800 -0.226 0.000 2.440 159 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 159 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 159 G C 1.812 176.565 174.900 -0.244 0.000 1.154 159 G CA 1.008 45.950 45.100 -0.263 0.000 0.767 159 G HN 0.679 nan 8.290 nan 0.000 0.552 160 A N 0.298 122.929 122.820 -0.315 0.000 1.930 160 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 160 A C 2.404 179.824 177.584 -0.274 0.000 1.175 160 A CA 1.146 53.016 52.037 -0.280 0.000 0.627 160 A CB -0.277 18.522 19.000 -0.335 0.000 0.815 160 A HN 0.363 nan 8.150 nan 0.000 0.443 161 L N -1.117 119.915 121.223 -0.318 0.000 2.179 161 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 161 L C 2.968 179.596 176.870 -0.403 0.000 1.096 161 L CA 0.712 55.373 54.840 -0.299 0.000 0.779 161 L CB -0.508 41.427 42.059 -0.206 0.000 0.922 161 L HN 0.398 nan 8.230 nan 0.000 0.443 162 A N 0.407 122.901 122.820 -0.543 0.000 1.978 162 A HA -0.148 4.171 4.320 -0.000 0.000 0.220 162 A C 2.114 179.485 177.584 -0.354 0.000 1.170 162 A CA 1.912 53.591 52.037 -0.597 0.000 0.636 162 A CB -0.669 17.802 19.000 -0.883 0.000 0.810 162 A HN 0.348 nan 8.150 nan 0.000 0.448 163 V N -4.225 115.542 119.914 -0.245 0.000 3.647 163 V HA 0.104 4.224 4.120 -0.000 0.000 0.279 163 V C 1.634 177.654 176.094 -0.124 0.000 1.314 163 V CA 0.675 62.876 62.300 -0.166 0.000 1.125 163 V CB -0.326 31.422 31.823 -0.125 0.000 0.907 163 V HN 0.204 nan 8.190 nan 0.000 0.434 164 K N 1.689 122.014 120.400 -0.124 0.000 2.009 164 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 164 K C 0.239 176.828 176.600 -0.018 0.000 1.049 164 K CA 2.099 58.347 56.287 -0.064 0.000 0.929 164 K CB -1.987 30.499 32.500 -0.023 0.000 0.714 164 K HN 0.458 nan 8.250 nan 0.000 0.440 165 P HA -0.136 nan 4.420 nan 0.000 0.216 165 P C 1.457 178.752 177.300 -0.008 0.000 1.150 165 P CA 1.716 64.837 63.100 0.035 0.000 0.843 165 P CB -0.095 31.647 31.700 0.070 0.000 0.787 166 S N -1.722 113.953 115.700 -0.040 0.000 2.481 166 S HA 0.059 4.529 4.470 -0.000 0.000 0.231 166 S C 1.920 176.491 174.600 -0.049 0.000 0.996 166 S CA 1.031 59.200 58.200 -0.051 0.000 0.942 166 S CB -1.441 61.711 63.200 -0.080 0.000 0.768 166 S HN 0.310 nan 8.310 nan 0.000 0.520 167 G N 0.786 109.558 108.800 -0.046 0.000 2.245 167 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 167 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 167 G C 0.081 174.949 174.900 -0.054 0.000 0.985 167 G CA 0.569 45.643 45.100 -0.043 0.000 0.625 167 G HN 0.585 nan 8.290 nan 0.000 0.536 168 L N 1.698 122.880 121.223 -0.069 0.000 2.453 168 L HA 0.520 4.860 4.340 -0.000 0.000 0.261 168 L C 1.567 178.390 176.870 -0.078 0.000 1.179 168 L CA -0.068 54.724 54.840 -0.080 0.000 0.813 168 L CB 0.954 42.948 42.059 -0.108 0.000 1.110 168 L HN 0.438 nan 8.230 nan 0.000 0.466 169 S N 0.283 115.941 115.700 -0.069 0.000 2.614 169 S HA 0.085 4.555 4.470 -0.000 0.000 0.265 169 S C 0.784 175.355 174.600 -0.048 0.000 1.303 169 S CA -0.454 57.720 58.200 -0.043 0.000 1.000 169 S CB 0.562 63.744 63.200 -0.029 0.000 0.935 169 S HN 0.537 nan 8.310 nan 0.000 0.551 170 F N 1.132 120.992 119.950 -0.149 0.000 2.095 170 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 170 F C 2.516 178.205 175.800 -0.185 0.000 1.104 170 F CA 2.229 60.124 58.000 -0.175 0.000 1.232 170 F CB -0.480 38.415 39.000 -0.175 0.000 0.987 170 F HN 0.947 nan 8.300 nan 0.000 0.475 171 E N -0.490 119.677 120.200 -0.056 0.000 2.058 171 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 171 E C 2.184 178.627 176.600 -0.261 0.000 0.997 171 E CA 1.453 57.761 56.400 -0.154 0.000 0.801 171 E CB -0.154 29.544 29.700 -0.003 0.000 0.746 171 E HN 0.390 nan 8.360 nan 0.000 0.450 172 Q N -0.002 119.687 119.800 -0.184 0.000 2.124 172 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 172 Q C 2.102 177.945 176.000 -0.261 0.000 0.977 172 Q CA 1.398 57.093 55.803 -0.181 0.000 0.850 172 Q CB -0.444 28.226 28.738 -0.114 0.000 0.901 172 Q HN 0.406 nan 8.270 nan 0.000 0.429 173 A N 0.620 123.254 122.820 -0.310 0.000 1.877 173 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 173 A C 2.159 179.460 177.584 -0.472 0.000 1.186 173 A CA 1.932 53.763 52.037 -0.343 0.000 0.620 173 A CB -0.510 18.279 19.000 -0.351 0.000 0.822 173 A HN 0.352 nan 8.150 nan 0.000 0.443 174 M N -0.354 118.823 119.600 -0.704 0.000 2.086 174 M HA -0.188 4.292 4.480 -0.000 0.000 0.261 174 M C 2.158 177.857 176.300 -1.001 0.000 1.067 174 M CA 2.043 56.784 55.300 -0.932 0.000 1.116 174 M CB -0.589 31.294 32.600 -1.196 0.000 1.348 174 M HN 0.531 nan 8.290 nan 0.000 0.407 175 Q N -1.105 118.247 119.800 -0.745 0.000 2.050 175 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 175 Q C 1.885 177.710 176.000 -0.292 0.000 0.980 175 Q CA 2.458 57.976 55.803 -0.474 0.000 0.840 175 Q CB -0.290 28.294 28.738 -0.257 0.000 0.898 175 Q HN 0.785 nan 8.270 nan 0.000 0.424 176 T N -2.537 111.866 114.554 -0.251 0.000 3.043 176 T HA 0.064 4.414 4.350 -0.000 0.000 0.263 176 T C 1.581 176.194 174.700 -0.146 0.000 1.094 176 T CA 0.356 62.358 62.100 -0.163 0.000 1.127 176 T CB 0.105 68.894 68.868 -0.132 0.000 0.905 176 T HN 0.127 nan 8.240 nan 0.000 0.490 177 R N -0.149 120.234 120.500 -0.196 0.000 2.254 177 R HA 0.384 4.724 4.340 -0.000 0.000 0.193 177 R C 1.501 177.742 176.300 -0.099 0.000 0.929 177 R CA 0.229 56.246 56.100 -0.139 0.000 1.038 177 R CB 0.482 30.689 30.300 -0.154 0.000 1.009 177 R HN 0.286 nan 8.270 nan 0.000 0.512 178 V N -0.885 118.934 119.914 -0.158 0.000 3.054 178 V HA 0.027 4.147 4.120 -0.000 0.000 0.227 178 V C 1.434 177.605 176.094 0.130 0.000 1.252 178 V CA 0.472 62.764 62.300 -0.013 0.000 1.279 178 V CB -0.352 31.438 31.823 -0.056 0.000 1.118 178 V HN -0.029 nan 8.190 nan 0.000 0.504 179 F N 1.581 121.452 119.950 -0.132 0.000 2.069 179 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 179 F C 2.629 178.340 175.800 -0.147 0.000 1.113 179 F CA 1.628 59.513 58.000 -0.192 0.000 1.214 179 F CB -1.301 37.477 39.000 -0.370 0.000 0.978 179 F HN 0.198 nan 8.300 nan 0.000 0.474 180 Q N -0.241 119.588 119.800 0.049 0.000 2.020 180 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 180 Q C -0.308 175.695 176.000 0.005 0.000 0.982 180 Q CA 1.834 57.628 55.803 -0.015 0.000 0.838 180 Q CB -1.509 27.198 28.738 -0.052 0.000 0.899 180 Q HN 0.271 nan 8.270 nan 0.000 0.423 181 P HA -0.145 nan 4.420 nan 0.000 0.219 181 P C 0.628 177.957 177.300 0.049 0.000 1.146 181 P CA 1.173 64.287 63.100 0.024 0.000 0.808 181 P CB 0.070 31.784 31.700 0.024 0.000 0.779 182 L N -1.494 119.783 121.223 0.091 0.000 2.592 182 L HA 0.143 4.483 4.340 -0.000 0.000 0.227 182 L C 0.396 177.315 176.870 0.082 0.000 1.127 182 L CA 0.135 55.047 54.840 0.118 0.000 0.884 182 L CB -0.619 41.581 42.059 0.235 0.000 1.065 182 L HN -0.050 nan 8.230 nan 0.000 0.457 183 K N 0.931 121.355 120.400 0.040 0.000 3.096 183 K HA -0.165 4.155 4.320 -0.000 0.000 0.266 183 K C -0.310 176.283 176.600 -0.011 0.000 1.043 183 K CA 0.341 56.630 56.287 0.003 0.000 0.758 183 K CB -1.641 30.866 32.500 0.011 0.000 1.260 183 K HN 0.308 nan 8.250 nan 0.000 0.481 184 L N 1.421 122.619 121.223 -0.041 0.000 2.389 184 L HA 0.135 4.475 4.340 -0.000 0.000 0.265 184 L C 0.911 177.621 176.870 -0.268 0.000 1.167 184 L CA -0.524 54.242 54.840 -0.124 0.000 1.045 184 L CB 0.206 42.147 42.059 -0.197 0.000 1.351 184 L HN 0.167 nan 8.230 nan 0.000 0.419 185 N N 0.629 119.204 118.700 -0.209 0.000 2.449 185 N HA -0.027 4.713 4.740 -0.000 0.000 0.191 185 N C 0.560 175.669 175.510 -0.669 0.000 1.161 185 N CA 0.579 53.402 53.050 -0.377 0.000 0.863 185 N CB 0.154 38.469 38.487 -0.288 0.000 0.980 185 N HN 0.528 nan 8.380 nan 0.000 0.458 186 H N -1.035 117.905 119.070 -0.216 0.000 2.750 186 H HA 0.215 4.771 4.556 -0.000 0.000 0.239 186 H C -0.390 174.789 175.328 -0.248 0.000 1.210 186 H CA -0.120 55.868 56.048 -0.099 0.000 0.936 186 H CB 0.512 30.263 29.762 -0.019 0.000 2.074 186 H HN -0.112 nan 8.280 nan 0.000 0.622 187 T N 1.024 115.202 114.554 -0.628 0.000 2.792 187 T HA 0.335 4.685 4.350 -0.000 0.000 0.280 187 T C -0.644 173.339 174.700 -1.195 0.000 0.990 187 T CA -0.413 61.159 62.100 -0.880 0.000 0.960 187 T CB 1.304 69.394 68.868 -1.296 0.000 0.939 187 T HN 0.203 nan 8.240 nan 0.000 0.439 188 W N 1.720 122.703 121.300 -0.529 0.000 3.033 188 W HA 0.568 5.228 4.660 0.000 0.000 0.336 188 W C 0.634 177.022 176.519 -0.219 0.000 1.173 188 W CA -0.819 56.346 57.345 -0.299 0.000 1.185 188 W CB 1.148 30.453 29.460 -0.260 0.000 1.425 188 W HN 0.492 nan 8.180 nan 0.000 0.536 189 I N 1.201 121.889 120.570 0.196 0.000 2.731 189 I HA 0.018 4.188 4.170 -0.000 0.000 0.260 189 I C -0.083 176.064 176.117 0.051 0.000 1.138 189 I CA 0.731 62.087 61.300 0.094 0.000 1.461 189 I CB 0.022 38.094 38.000 0.119 0.000 1.128 189 I HN 0.346 nan 8.210 nan 0.000 0.438 190 N N 0.027 118.794 118.700 0.112 0.000 2.483 190 N HA 0.291 5.031 4.740 -0.000 0.000 0.267 190 N C -0.948 174.488 175.510 -0.123 0.000 0.998 190 N CA -0.334 52.710 53.050 -0.010 0.000 0.918 190 N CB 2.381 40.868 38.487 0.000 0.000 1.215 190 N HN -0.219 nan 8.380 nan 0.000 0.500 191 V N 4.160 123.909 119.914 -0.275 0.000 2.479 191 V HA 0.187 4.307 4.120 -0.000 0.000 0.281 191 V C -1.439 174.337 176.094 -0.529 0.000 1.031 191 V CA -0.905 61.092 62.300 -0.505 0.000 1.038 191 V CB -0.043 31.453 31.823 -0.545 0.000 0.981 191 V HN 0.601 nan 8.190 nan 0.000 0.478 192 P HA 0.302 nan 4.420 nan 0.000 0.276 192 P C -2.338 174.738 177.300 -0.373 0.000 1.244 192 P CA -1.893 60.844 63.100 -0.604 0.000 0.801 192 P CB 0.865 32.046 31.700 -0.865 0.000 1.006 193 P HA -0.250 nan 4.420 nan 0.000 0.217 193 P C 1.532 178.757 177.300 -0.125 0.000 1.158 193 P CA 2.562 65.578 63.100 -0.140 0.000 0.887 193 P CB -0.524 31.113 31.700 -0.104 0.000 0.792 194 A N -0.472 122.261 122.820 -0.144 0.000 2.024 194 A HA -0.211 4.108 4.320 -0.000 0.000 0.220 194 A C 2.011 179.549 177.584 -0.078 0.000 1.164 194 A CA 1.588 53.569 52.037 -0.094 0.000 0.643 194 A CB -0.778 18.172 19.000 -0.083 0.000 0.806 194 A HN 0.158 nan 8.150 nan 0.000 0.451 195 E N -0.776 119.339 120.200 -0.142 0.000 2.476 195 E HA -0.000 4.350 4.350 -0.000 0.000 0.199 195 E C 1.444 178.007 176.600 -0.061 0.000 1.021 195 E CA 0.132 56.476 56.400 -0.093 0.000 0.907 195 E CB -0.044 29.559 29.700 -0.162 0.000 0.974 195 E HN 0.745 nan 8.360 nan 0.000 0.489 196 E N 1.563 121.725 120.200 -0.062 0.000 2.114 196 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 196 E C 1.977 178.595 176.600 0.031 0.000 1.008 196 E CA 1.757 58.163 56.400 0.009 0.000 0.810 196 E CB -0.134 29.564 29.700 -0.003 0.000 0.739 196 E HN 0.242 nan 8.360 nan 0.000 0.456 197 K N 0.203 120.613 120.400 0.017 0.000 2.280 197 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 197 K C 1.181 177.802 176.600 0.035 0.000 1.047 197 K CA 1.300 57.604 56.287 0.029 0.000 0.942 197 K CB 0.045 32.559 32.500 0.023 0.000 0.739 197 K HN 0.027 nan 8.250 nan 0.000 0.457 198 N N -0.039 118.681 118.700 0.034 0.000 2.236 198 N HA -0.052 4.688 4.740 -0.000 0.000 0.196 198 N C -0.718 174.825 175.510 0.054 0.000 1.114 198 N CA -0.076 52.994 53.050 0.032 0.000 0.859 198 N CB 0.280 38.776 38.487 0.015 0.000 0.982 198 N HN 0.304 nan 8.380 nan 0.000 0.493 199 Y N 2.486 122.710 120.300 -0.127 0.000 2.624 199 Y HA 0.255 4.805 4.550 -0.000 0.000 0.354 199 Y C 0.630 176.423 175.900 -0.179 0.000 1.051 199 Y CA -1.037 56.948 58.100 -0.192 0.000 1.377 199 Y CB 0.171 38.471 38.460 -0.266 0.000 1.168 199 Y HN -0.015 nan 8.280 nan 0.000 0.525 200 A N 5.986 128.872 122.820 0.110 0.000 2.448 200 A HA -0.003 4.317 4.320 -0.000 0.000 0.239 200 A C -1.064 176.569 177.584 0.082 0.000 1.080 200 A CA -0.102 51.965 52.037 0.050 0.000 0.779 200 A CB 0.316 19.271 19.000 -0.076 0.000 1.026 200 A HN 0.935 nan 8.150 nan 0.000 0.499 201 W N -0.101 121.240 121.300 0.070 0.000 2.438 201 W HA 0.509 5.169 4.660 -0.000 0.000 0.324 201 W C 0.782 177.052 176.519 -0.416 0.000 1.119 201 W CA 0.208 57.428 57.345 -0.208 0.000 1.221 201 W CB 1.491 30.651 29.460 -0.499 0.000 1.253 201 W HN 0.943 nan 8.180 nan 0.000 0.555 202 G N 1.395 110.101 108.800 -0.156 0.000 2.451 202 G HA2 0.504 4.464 3.960 -0.000 0.000 0.303 202 G HA3 0.504 4.464 3.960 -0.000 0.000 0.303 202 G C -2.127 172.443 174.900 -0.549 0.000 1.166 202 G CA -0.433 44.264 45.100 -0.673 0.000 0.884 202 G HN 0.434 nan 8.290 nan 0.000 0.514 203 Y N -0.152 120.079 120.300 -0.115 0.000 2.338 203 Y HA 0.549 5.099 4.550 -0.000 0.000 0.333 203 Y C 0.443 176.346 175.900 0.005 0.000 0.968 203 Y CA -0.789 57.295 58.100 -0.027 0.000 1.123 203 Y CB 2.267 40.714 38.460 -0.022 0.000 1.165 203 Y HN 0.496 nan 8.280 nan 0.000 0.452 204 R N 2.297 122.871 120.500 0.123 0.000 2.532 204 R HA 0.379 4.719 4.340 -0.000 0.000 0.297 204 R C -0.797 175.553 176.300 0.083 0.000 0.984 204 R CA -0.633 55.526 56.100 0.098 0.000 0.884 204 R CB 1.011 31.356 30.300 0.075 0.000 1.182 204 R HN 0.763 nan 8.270 nan 0.000 0.442 205 E N 2.485 122.730 120.200 0.075 0.000 2.389 205 E HA -0.209 4.141 4.350 -0.000 0.000 0.243 205 E C 0.714 177.349 176.600 0.059 0.000 1.154 205 E CA 1.433 57.865 56.400 0.053 0.000 0.723 205 E CB -1.273 28.449 29.700 0.036 0.000 1.261 205 E HN 1.125 nan 8.360 nan 0.000 0.390 206 G N -0.682 108.171 108.800 0.088 0.000 2.205 206 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.269 206 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.269 206 G C 0.245 175.239 174.900 0.157 0.000 0.977 206 G CA 1.049 46.208 45.100 0.098 0.000 0.652 206 G HN 0.361 nan 8.290 nan 0.000 0.539 207 K N 0.713 121.182 120.400 0.115 0.000 2.183 207 K HA 0.660 4.980 4.320 -0.000 0.000 0.274 207 K C 0.492 177.052 176.600 -0.066 0.000 1.009 207 K CA -0.026 56.279 56.287 0.029 0.000 0.888 207 K CB 1.694 34.182 32.500 -0.020 0.000 1.078 207 K HN 0.404 nan 8.250 nan 0.000 0.459 208 A N 2.681 125.339 122.820 -0.269 0.000 2.454 208 A HA 0.369 4.689 4.320 -0.000 0.000 0.260 208 A C 0.050 177.409 177.584 -0.376 0.000 1.106 208 A CA -0.385 51.246 52.037 -0.678 0.000 0.780 208 A CB -0.177 18.221 19.000 -1.004 0.000 1.044 208 A HN 0.562 nan 8.150 nan 0.000 0.498 209 V N 0.885 120.725 119.914 -0.123 0.000 3.114 209 V HA 0.687 4.807 4.120 -0.000 0.000 0.308 209 V C -0.683 175.614 176.094 0.338 0.000 1.168 209 V CA -0.839 61.532 62.300 0.118 0.000 1.015 209 V CB 1.411 33.286 31.823 0.087 0.000 1.050 209 V HN 0.953 nan 8.190 nan 0.000 0.433 210 H N 0.193 119.420 119.070 0.261 0.000 2.690 210 H HA 0.663 5.219 4.556 -0.000 0.000 0.368 210 H C -0.652 174.781 175.328 0.176 0.000 1.150 210 H CA -0.958 55.186 56.048 0.160 0.000 1.174 210 H CB 2.367 32.096 29.762 -0.055 0.000 1.684 210 H HN 0.795 nan 8.280 nan 0.000 0.538 211 V N 3.139 123.230 119.914 0.296 0.000 2.673 211 V HA 0.007 4.127 4.120 -0.000 0.000 0.303 211 V C 0.016 176.228 176.094 0.197 0.000 1.046 211 V CA 0.267 62.701 62.300 0.223 0.000 1.126 211 V CB 0.608 32.561 31.823 0.217 0.000 0.934 211 V HN 0.837 nan 8.190 nan 0.000 0.487 212 S N 7.915 123.717 115.700 0.171 0.000 2.654 212 S HA 0.675 5.145 4.470 -0.000 0.000 0.283 212 S C -2.418 172.269 174.600 0.144 0.000 1.180 212 S CA -1.266 57.019 58.200 0.141 0.000 1.021 212 S CB 1.227 64.494 63.200 0.112 0.000 1.018 212 S HN 0.824 nan 8.310 nan 0.000 0.532 213 P HA 0.420 nan 4.420 nan 0.000 0.266 213 P C 0.027 177.381 177.300 0.090 0.000 1.193 213 P CA 0.062 63.209 63.100 0.079 0.000 0.770 213 P CB 0.156 31.884 31.700 0.046 0.000 0.836 214 G N -0.318 108.526 108.800 0.073 0.000 2.632 214 G HA2 0.524 4.484 3.960 -0.000 0.000 0.292 214 G HA3 0.524 4.484 3.960 -0.000 0.000 0.292 214 G C -1.323 173.581 174.900 0.007 0.000 1.465 214 G CA -0.360 44.787 45.100 0.079 0.000 0.824 214 G HN 0.552 nan 8.290 nan 0.000 0.509 215 A N 0.580 123.395 122.820 -0.009 0.000 2.520 215 A HA 0.538 4.858 4.320 -0.000 0.000 0.245 215 A C 1.415 178.954 177.584 -0.075 0.000 1.072 215 A CA 0.585 52.596 52.037 -0.044 0.000 0.761 215 A CB -0.441 18.529 19.000 -0.051 0.000 1.004 215 A HN 1.780 nan 8.150 nan 0.000 0.499 216 L N 0.615 121.758 121.223 -0.133 0.000 4.040 216 L HA -0.319 4.021 4.340 -0.000 0.000 0.410 216 L C 1.128 177.775 176.870 -0.373 0.000 1.187 216 L CA 0.652 55.361 54.840 -0.218 0.000 0.956 216 L CB -1.773 40.222 42.059 -0.107 0.000 2.022 216 L HN 1.006 nan 8.230 nan 0.000 0.897 217 D N 0.079 120.216 120.400 -0.438 0.000 2.097 217 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 217 D C 1.979 177.841 176.300 -0.730 0.000 0.984 217 D CA 1.363 54.829 54.000 -0.890 0.000 0.826 217 D CB -0.127 40.355 40.800 -0.531 0.000 0.973 217 D HN 0.417 nan 8.370 nan 0.000 0.460 218 A N 0.855 123.423 122.820 -0.420 0.000 1.883 218 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 218 A C 2.138 179.511 177.584 -0.351 0.000 1.186 218 A CA 2.091 53.968 52.037 -0.267 0.000 0.624 218 A CB -0.770 18.154 19.000 -0.127 0.000 0.822 218 A HN 0.228 nan 8.150 nan 0.000 0.444 219 E N -0.376 119.406 120.200 -0.697 0.000 2.150 219 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 219 E C 2.028 178.469 176.600 -0.266 0.000 0.985 219 E CA 1.325 57.274 56.400 -0.752 0.000 0.814 219 E CB -0.260 28.939 29.700 -0.834 0.000 0.752 219 E HN 0.608 nan 8.360 nan 0.000 0.466 220 A N -0.409 122.247 122.820 -0.274 0.000 2.014 220 A HA 0.080 4.400 4.320 -0.000 0.000 0.210 220 A C 0.803 178.454 177.584 0.112 0.000 1.188 220 A CA 0.715 52.721 52.037 -0.052 0.000 0.731 220 A CB 0.002 19.026 19.000 0.039 0.000 0.858 220 A HN 0.426 nan 8.150 nan 0.000 0.464 221 Y N -4.437 115.885 120.300 0.036 0.000 3.075 221 Y HA 0.442 4.992 4.550 -0.000 0.000 0.270 221 Y C 0.861 176.783 175.900 0.038 0.000 1.071 221 Y CA -0.524 57.613 58.100 0.062 0.000 1.269 221 Y CB -0.488 38.015 38.460 0.072 0.000 1.291 221 Y HN -0.011 nan 8.280 nan 0.000 0.613 222 G N 0.839 109.586 108.800 -0.088 0.000 3.141 222 G HA2 0.348 4.308 3.960 -0.000 0.000 0.218 222 G HA3 0.348 4.308 3.960 -0.000 0.000 0.218 222 G C -0.148 174.734 174.900 -0.030 0.000 1.170 222 G CA 0.115 45.185 45.100 -0.050 0.000 0.769 222 G HN 0.124 nan 8.290 nan 0.000 0.546 223 V N 0.446 120.342 119.914 -0.031 0.000 2.607 223 V HA 0.419 4.539 4.120 -0.000 0.000 0.289 223 V C -0.264 175.727 176.094 -0.172 0.000 1.053 223 V CA -0.399 61.821 62.300 -0.133 0.000 0.996 223 V CB 1.483 33.141 31.823 -0.275 0.000 0.995 223 V HN 0.135 nan 8.190 nan 0.000 0.476 224 K N 2.384 122.637 120.400 -0.245 0.000 2.324 224 K HA 0.795 5.115 4.320 -0.000 0.000 0.253 224 K C -0.527 175.926 176.600 -0.245 0.000 0.932 224 K CA -0.197 55.932 56.287 -0.264 0.000 0.799 224 K CB 2.034 34.271 32.500 -0.438 0.000 1.154 224 K HN 0.719 nan 8.250 nan 0.000 0.425 225 S N 0.144 115.771 115.700 -0.121 0.000 2.656 225 S HA 0.659 5.129 4.470 -0.000 0.000 0.273 225 S C -1.165 173.499 174.600 0.106 0.000 1.168 225 S CA -0.642 57.505 58.200 -0.090 0.000 0.817 225 S CB 0.914 64.016 63.200 -0.164 0.000 1.146 225 S HN 0.683 nan 8.310 nan 0.000 0.475 226 T N -0.145 114.474 114.554 0.109 0.000 2.923 226 T HA 0.551 4.900 4.350 -0.000 0.000 0.281 226 T C 1.157 175.973 174.700 0.194 0.000 0.995 226 T CA -0.529 61.687 62.100 0.193 0.000 0.985 226 T CB 0.822 69.745 68.868 0.091 0.000 1.114 226 T HN 0.434 nan 8.240 nan 0.000 0.548 227 I N 0.494 121.192 120.570 0.214 0.000 2.493 227 I HA 0.010 4.180 4.170 -0.000 0.000 0.254 227 I C 2.288 178.578 176.117 0.287 0.000 1.160 227 I CA 1.401 62.843 61.300 0.237 0.000 1.445 227 I CB -0.586 37.574 38.000 0.267 0.000 1.086 227 I HN 0.823 nan 8.210 nan 0.000 0.433 228 E N -0.028 120.239 120.200 0.112 0.000 2.046 228 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 228 E C 1.693 178.399 176.600 0.177 0.000 0.982 228 E CA 1.301 57.760 56.400 0.099 0.000 0.800 228 E CB -0.088 29.514 29.700 -0.163 0.000 0.756 228 E HN 0.441 nan 8.360 nan 0.000 0.449 229 D N 0.173 120.647 120.400 0.123 0.000 2.117 229 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 229 D C 1.815 178.237 176.300 0.203 0.000 0.987 229 D CA 0.965 55.034 54.000 0.115 0.000 0.829 229 D CB -0.016 40.793 40.800 0.014 0.000 0.961 229 D HN 0.077 nan 8.370 nan 0.000 0.460 230 M N 0.311 120.050 119.600 0.230 0.000 2.229 230 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 230 M C 2.207 178.697 176.300 0.317 0.000 1.063 230 M CA 0.673 56.168 55.300 0.324 0.000 1.114 230 M CB -1.089 31.684 32.600 0.287 0.000 1.387 230 M HN -0.021 nan 8.290 nan 0.000 0.420 231 A N -0.207 122.772 122.820 0.265 0.000 1.902 231 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 231 A C 2.380 180.042 177.584 0.130 0.000 1.181 231 A CA 1.853 53.996 52.037 0.178 0.000 0.623 231 A CB -0.673 18.445 19.000 0.197 0.000 0.818 231 A HN 0.459 nan 8.150 nan 0.000 0.443 232 R N -1.350 119.257 120.500 0.179 0.000 2.081 232 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 232 R C 2.151 178.564 176.300 0.188 0.000 1.131 232 R CA 1.559 57.745 56.100 0.144 0.000 0.960 232 R CB -0.406 29.986 30.300 0.153 0.000 0.856 232 R HN 0.824 nan 8.270 nan 0.000 0.436 233 W N 0.427 121.757 121.300 0.050 0.000 2.338 233 W HA -0.220 4.440 4.660 0.000 0.000 0.304 233 W C 1.406 177.871 176.519 -0.089 0.000 1.212 233 W CA 1.244 58.613 57.345 0.039 0.000 1.264 233 W CB -0.008 29.536 29.460 0.140 0.000 1.142 233 W HN -0.006 nan 8.180 nan 0.000 0.512 234 V N 1.171 121.042 119.914 -0.071 0.000 2.358 234 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 234 V C 2.302 178.077 176.094 -0.532 0.000 1.047 234 V CA 2.307 64.351 62.300 -0.426 0.000 1.035 234 V CB -1.058 30.635 31.823 -0.217 0.000 0.658 234 V HN 0.211 nan 8.190 nan 0.000 0.452 235 Q N -0.045 119.588 119.800 -0.278 0.000 2.096 235 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 235 Q C 2.458 178.281 176.000 -0.297 0.000 0.982 235 Q CA 2.107 57.759 55.803 -0.251 0.000 0.850 235 Q CB -0.306 28.355 28.738 -0.129 0.000 0.901 235 Q HN 0.593 nan 8.270 nan 0.000 0.422 236 S N 0.606 116.144 115.700 -0.270 0.000 2.383 236 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 236 S C 1.481 175.822 174.600 -0.432 0.000 1.026 236 S CA 0.918 58.961 58.200 -0.261 0.000 0.981 236 S CB -0.141 62.983 63.200 -0.126 0.000 0.818 236 S HN 0.377 nan 8.310 nan 0.000 0.472 237 N N 1.010 119.275 118.700 -0.725 0.000 2.416 237 N HA 0.161 4.901 4.740 -0.000 0.000 0.177 237 N C 1.569 176.572 175.510 -0.845 0.000 1.036 237 N CA 0.383 52.900 53.050 -0.888 0.000 0.901 237 N CB -0.087 37.598 38.487 -1.337 0.000 0.976 237 N HN 0.327 nan 8.380 nan 0.000 0.444 238 L N 0.621 121.341 121.223 -0.839 0.000 2.044 238 L HA -0.028 4.311 4.340 -0.000 0.000 0.205 238 L C 0.522 177.212 176.870 -0.300 0.000 1.075 238 L CA 1.163 55.684 54.840 -0.533 0.000 0.747 238 L CB 0.114 41.905 42.059 -0.447 0.000 0.903 238 L HN -0.080 nan 8.230 nan 0.000 0.435 239 K N -0.224 120.011 120.400 -0.274 0.000 2.679 239 K HA 0.206 4.526 4.320 -0.000 0.000 0.188 239 K C -1.905 174.598 176.600 -0.161 0.000 1.055 239 K CA -1.263 54.914 56.287 -0.182 0.000 1.006 239 K CB 1.406 33.817 32.500 -0.149 0.000 1.317 239 K HN -0.073 nan 8.250 nan 0.000 0.584 240 P HA -0.139 nan 4.420 nan 0.000 0.223 240 P C 1.168 178.421 177.300 -0.079 0.000 1.151 240 P CA 0.779 63.808 63.100 -0.118 0.000 0.787 240 P CB 0.345 31.981 31.700 -0.107 0.000 0.788 241 L N -0.072 121.105 121.223 -0.077 0.000 2.187 241 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 241 L C 1.625 178.464 176.870 -0.052 0.000 1.100 241 L CA 1.363 56.168 54.840 -0.058 0.000 0.765 241 L CB -0.802 41.223 42.059 -0.057 0.000 0.904 241 L HN -0.070 nan 8.230 nan 0.000 0.437 242 D N -0.280 120.083 120.400 -0.061 0.000 2.349 242 D HA 0.079 4.719 4.640 -0.000 0.000 0.224 242 D C 0.358 176.635 176.300 -0.038 0.000 1.029 242 D CA 0.418 54.387 54.000 -0.050 0.000 0.879 242 D CB 0.095 40.860 40.800 -0.059 0.000 0.906 242 D HN 0.130 nan 8.370 nan 0.000 0.528 243 I N 1.787 122.335 120.570 -0.037 0.000 2.416 243 I HA 0.005 4.175 4.170 -0.000 0.000 0.288 243 I C 1.544 177.652 176.117 -0.014 0.000 1.051 243 I CA -0.202 61.086 61.300 -0.020 0.000 1.375 243 I CB 0.745 38.737 38.000 -0.013 0.000 1.407 243 I HN -0.181 nan 8.210 nan 0.000 0.516 244 N N 4.035 122.729 118.700 -0.009 0.000 2.142 244 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 244 N C 0.204 175.710 175.510 -0.007 0.000 1.023 244 N CA 0.910 53.955 53.050 -0.009 0.000 0.852 244 N CB -0.084 38.398 38.487 -0.008 0.000 0.998 244 N HN 0.544 nan 8.380 nan 0.000 0.424 245 E N 1.784 121.983 120.200 -0.002 0.000 2.292 245 E HA -0.014 4.336 4.350 -0.000 0.000 0.265 245 E C 1.043 177.642 176.600 -0.001 0.000 1.093 245 E CA 0.086 56.486 56.400 -0.001 0.000 0.922 245 E CB 0.884 30.586 29.700 0.003 0.000 1.001 245 E HN 0.192 nan 8.360 nan 0.000 0.444 246 K N 2.585 122.983 120.400 -0.004 0.000 2.020 246 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 246 K C 1.640 178.241 176.600 0.002 0.000 1.050 246 K CA 2.079 58.364 56.287 -0.003 0.000 0.929 246 K CB -0.164 32.334 32.500 -0.004 0.000 0.714 246 K HN 0.630 nan 8.250 nan 0.000 0.443 247 T N -0.266 114.289 114.554 0.003 0.000 2.915 247 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 247 T C 1.880 176.591 174.700 0.018 0.000 1.071 247 T CA 1.000 63.105 62.100 0.008 0.000 1.132 247 T CB -0.178 68.691 68.868 0.002 0.000 0.878 247 T HN 0.220 nan 8.240 nan 0.000 0.479 248 L N 1.042 122.276 121.223 0.019 0.000 2.072 248 L HA 0.150 4.490 4.340 -0.000 0.000 0.205 248 L C 2.778 179.668 176.870 0.032 0.000 1.079 248 L CA 1.682 56.544 54.840 0.037 0.000 0.752 248 L CB -1.024 41.061 42.059 0.044 0.000 0.906 248 L HN 0.360 nan 8.230 nan 0.000 0.436 249 Q N -0.761 119.047 119.800 0.013 0.000 2.061 249 Q HA -0.315 4.025 4.340 -0.000 0.000 0.204 249 Q C 2.282 178.283 176.000 0.001 0.000 0.984 249 Q CA 2.372 58.173 55.803 -0.004 0.000 0.846 249 Q CB -0.218 28.512 28.738 -0.012 0.000 0.902 249 Q HN 0.734 nan 8.270 nan 0.000 0.421 250 Q N -0.872 118.934 119.800 0.011 0.000 2.079 250 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 250 Q C 1.955 177.980 176.000 0.042 0.000 0.974 250 Q CA 1.419 57.233 55.803 0.019 0.000 0.840 250 Q CB -0.353 28.397 28.738 0.019 0.000 0.898 250 Q HN 0.507 nan 8.270 nan 0.000 0.430 251 G N 1.320 110.152 108.800 0.054 0.000 2.440 251 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 251 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 251 G C 1.405 176.369 174.900 0.107 0.000 1.154 251 G CA 1.031 46.183 45.100 0.087 0.000 0.767 251 G HN 0.388 nan 8.290 nan 0.000 0.552 252 I N 0.225 120.839 120.570 0.074 0.000 2.226 252 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 252 I C 3.043 179.189 176.117 0.048 0.000 1.100 252 I CA 1.194 62.525 61.300 0.052 0.000 1.374 252 I CB -0.316 37.655 38.000 -0.048 0.000 1.057 252 I HN 0.253 nan 8.210 nan 0.000 0.413 253 Q N 0.532 120.345 119.800 0.021 0.000 2.084 253 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 253 Q C 2.397 178.427 176.000 0.051 0.000 0.978 253 Q CA 1.367 57.176 55.803 0.011 0.000 0.844 253 Q CB -0.156 28.577 28.738 -0.008 0.000 0.898 253 Q HN 0.533 nan 8.270 nan 0.000 0.426 254 L N 0.084 121.360 121.223 0.089 0.000 2.131 254 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 254 L C 2.419 179.438 176.870 0.248 0.000 1.092 254 L CA 0.795 55.724 54.840 0.148 0.000 0.759 254 L CB -0.528 41.627 42.059 0.160 0.000 0.903 254 L HN 0.210 nan 8.230 nan 0.000 0.435 255 A N -0.783 122.183 122.820 0.243 0.000 2.067 255 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 255 A C 2.037 179.844 177.584 0.372 0.000 1.158 255 A CA 1.169 53.404 52.037 0.331 0.000 0.661 255 A CB -0.246 18.977 19.000 0.371 0.000 0.801 255 A HN 0.495 nan 8.150 nan 0.000 0.452 256 Q N -0.064 119.873 119.800 0.228 0.000 2.247 256 Q HA 0.192 4.532 4.340 -0.000 0.000 0.204 256 Q C -0.154 175.871 176.000 0.041 0.000 0.872 256 Q CA -0.329 55.554 55.803 0.134 0.000 0.951 256 Q CB 0.426 29.170 28.738 0.010 0.000 1.099 256 Q HN 0.482 nan 8.270 nan 0.000 0.501 257 S N 1.045 116.750 115.700 0.009 0.000 2.572 257 S HA 0.195 4.664 4.470 -0.000 0.000 0.279 257 S C 0.052 174.443 174.600 -0.349 0.000 1.341 257 S CA -0.123 57.919 58.200 -0.263 0.000 1.043 257 S CB 0.534 63.441 63.200 -0.489 0.000 0.887 257 S HN 0.236 nan 8.310 nan 0.000 0.516 258 R N 1.784 122.063 120.500 -0.368 0.000 2.196 258 R HA 0.230 4.570 4.340 -0.000 0.000 0.340 258 R C -0.309 175.801 176.300 -0.316 0.000 1.043 258 R CA -0.105 55.887 56.100 -0.180 0.000 0.883 258 R CB 0.368 30.547 30.300 -0.201 0.000 1.078 258 R HN 0.696 nan 8.270 nan 0.000 0.462 259 Y N 0.727 121.017 120.300 -0.017 0.000 2.441 259 Y HA 0.139 4.689 4.550 -0.000 0.000 0.288 259 Y C 0.176 175.733 175.900 -0.571 0.000 1.118 259 Y CA 0.314 58.230 58.100 -0.307 0.000 1.215 259 Y CB 0.517 38.793 38.460 -0.307 0.000 1.118 259 Y HN 0.467 nan 8.280 nan 0.000 0.547 260 W N -0.172 121.296 121.300 0.280 0.000 3.033 260 W HA 0.580 5.240 4.660 0.000 0.000 0.336 260 W C -0.854 175.770 176.519 0.174 0.000 1.173 260 W CA -0.983 56.480 57.345 0.197 0.000 1.185 260 W CB 1.171 30.728 29.460 0.162 0.000 1.425 260 W HN -0.448 nan 8.180 nan 0.000 0.536 261 Q N 1.230 121.233 119.800 0.338 0.000 2.356 261 Q HA 0.651 4.990 4.340 -0.000 0.000 0.270 261 Q C -1.300 174.718 176.000 0.030 0.000 1.058 261 Q CA -0.505 55.326 55.803 0.046 0.000 0.802 261 Q CB 2.496 31.186 28.738 -0.080 0.000 1.303 261 Q HN 0.446 nan 8.270 nan 0.000 0.444 262 T N 2.504 117.020 114.554 -0.064 0.000 3.031 262 T HA 0.606 4.956 4.350 -0.000 0.000 0.305 262 T C 0.334 174.976 174.700 -0.098 0.000 0.985 262 T CA 0.748 62.820 62.100 -0.047 0.000 1.008 262 T CB 0.632 69.492 68.868 -0.013 0.000 1.005 262 T HN 1.060 nan 8.240 nan 0.000 0.444 263 G N 5.489 114.234 108.800 -0.092 0.000 2.591 263 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.298 263 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.298 263 G C 0.276 175.088 174.900 -0.148 0.000 1.195 263 G CA 0.794 45.837 45.100 -0.095 0.000 0.989 263 G HN 1.028 nan 8.290 nan 0.000 0.551 264 D N 0.093 120.412 120.400 -0.134 0.000 2.388 264 D HA 0.353 4.993 4.640 -0.000 0.000 0.221 264 D C 0.971 177.159 176.300 -0.186 0.000 1.133 264 D CA 0.189 54.101 54.000 -0.146 0.000 0.831 264 D CB 0.127 40.879 40.800 -0.080 0.000 0.962 264 D HN 0.526 nan 8.370 nan 0.000 0.502 265 M N 0.845 120.307 119.600 -0.230 0.000 2.436 265 M HA 0.404 4.884 4.480 -0.000 0.000 0.331 265 M C -1.724 174.417 176.300 -0.265 0.000 1.135 265 M CA -0.675 54.556 55.300 -0.115 0.000 0.987 265 M CB 1.771 34.392 32.600 0.036 0.000 1.687 265 M HN -0.164 nan 8.290 nan 0.000 0.445 266 Y N 1.825 122.231 120.300 0.176 0.000 2.393 266 Y HA 0.380 4.929 4.550 -0.000 0.000 0.341 266 Y C -0.239 175.818 175.900 0.262 0.000 0.988 266 Y CA -0.693 57.525 58.100 0.195 0.000 1.078 266 Y CB 1.590 40.130 38.460 0.134 0.000 1.203 266 Y HN 0.544 nan 8.280 nan 0.000 0.453 267 Q N 1.934 122.009 119.800 0.459 0.000 2.274 267 Q HA 0.568 4.908 4.340 -0.000 0.000 0.256 267 Q C -0.041 176.255 176.000 0.492 0.000 0.927 267 Q CA -0.188 55.891 55.803 0.459 0.000 0.939 267 Q CB 1.199 30.230 28.738 0.489 0.000 1.201 267 Q HN 0.897 nan 8.270 nan 0.000 0.426 268 G N 2.737 111.799 108.800 0.437 0.000 2.857 268 G HA2 0.509 4.469 3.960 -0.000 0.000 0.217 268 G HA3 0.509 4.469 3.960 -0.000 0.000 0.217 268 G C -0.988 174.092 174.900 0.299 0.000 1.357 268 G CA -0.833 44.552 45.100 0.474 0.000 1.033 268 G HN 0.587 nan 8.290 nan 0.000 0.571 269 L N 1.206 122.577 121.223 0.247 0.000 2.270 269 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 269 L C 1.368 178.292 176.870 0.090 0.000 1.059 269 L CA 0.493 55.348 54.840 0.025 0.000 0.839 269 L CB 0.518 42.590 42.059 0.021 0.000 1.221 269 L HN 1.056 nan 8.230 nan 0.000 0.431 270 G N 2.271 111.095 108.800 0.041 0.000 4.039 270 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 270 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 270 G C 0.007 174.960 174.900 0.089 0.000 1.391 270 G CA -0.193 44.929 45.100 0.036 0.000 0.920 270 G HN 0.509 nan 8.290 nan 0.000 0.599 271 W N 2.257 123.692 121.300 0.225 0.000 2.137 271 W HA 0.587 5.247 4.660 -0.000 0.000 0.344 271 W C 0.824 177.493 176.519 0.250 0.000 1.286 271 W CA -0.196 57.279 57.345 0.216 0.000 1.240 271 W CB 0.429 29.986 29.460 0.161 0.000 1.141 271 W HN 0.313 nan 8.180 nan 0.000 0.579 272 E N 1.475 122.027 120.200 0.587 0.000 2.238 272 E HA 0.548 4.898 4.350 -0.000 0.000 0.267 272 E C -0.874 176.014 176.600 0.481 0.000 0.887 272 E CA -1.095 55.610 56.400 0.509 0.000 0.769 272 E CB 1.783 31.782 29.700 0.497 0.000 1.187 272 E HN 0.180 nan 8.360 nan 0.000 0.416 273 M N 2.018 121.853 119.600 0.392 0.000 2.550 273 M HA 0.498 4.978 4.480 -0.000 0.000 0.292 273 M C -1.500 175.017 176.300 0.362 0.000 1.221 273 M CA -0.384 55.091 55.300 0.292 0.000 0.873 273 M CB 1.785 34.499 32.600 0.189 0.000 1.727 273 M HN 0.303 nan 8.290 nan 0.000 0.459 274 L N 0.213 121.617 121.223 0.302 0.000 2.376 274 L HA 0.562 4.902 4.340 -0.000 0.000 0.258 274 L C -0.883 176.154 176.870 0.277 0.000 1.013 274 L CA -0.716 54.307 54.840 0.306 0.000 0.822 274 L CB 1.967 44.121 42.059 0.158 0.000 1.388 274 L HN 0.533 nan 8.230 nan 0.000 0.413 275 D N 0.755 121.307 120.400 0.254 0.000 2.414 275 D HA 0.023 4.663 4.640 -0.000 0.000 0.242 275 D C -0.996 175.432 176.300 0.213 0.000 1.129 275 D CA 0.139 54.253 54.000 0.190 0.000 0.885 275 D CB 1.150 42.035 40.800 0.141 0.000 1.198 275 D HN 0.324 nan 8.370 nan 0.000 0.437 276 W N 4.659 126.015 121.300 0.093 0.000 2.469 276 W HA 0.311 4.971 4.660 -0.000 0.000 0.320 276 W C -2.331 174.240 176.519 0.086 0.000 1.086 276 W CA -1.819 55.600 57.345 0.124 0.000 1.211 276 W CB 1.150 30.701 29.460 0.150 0.000 1.298 276 W HN 0.243 nan 8.180 nan 0.000 0.525 277 P HA 0.170 nan 4.420 nan 0.000 0.275 277 P C -0.459 176.498 177.300 -0.572 0.000 1.228 277 P CA 0.008 62.352 63.100 -1.260 0.000 0.786 277 P CB 1.800 32.943 31.700 -0.929 0.000 0.927 278 V N -0.640 118.933 119.914 -0.569 0.000 3.093 278 V HA 0.553 4.673 4.120 -0.000 0.000 0.320 278 V C 0.009 175.800 176.094 -0.505 0.000 1.093 278 V CA -1.081 60.986 62.300 -0.388 0.000 1.016 278 V CB 1.493 33.088 31.823 -0.381 0.000 1.096 278 V HN 0.587 nan 8.190 nan 0.000 0.452 279 N N 3.137 121.568 118.700 -0.448 0.000 2.420 279 N HA 0.411 5.151 4.740 -0.000 0.000 0.249 279 N C -1.251 173.855 175.510 -0.674 0.000 1.033 279 N CA -2.331 50.433 53.050 -0.476 0.000 0.944 279 N CB 1.395 39.696 38.487 -0.310 0.000 1.113 279 N HN 0.556 nan 8.380 nan 0.000 0.502 280 P HA -0.154 nan 4.420 nan 0.000 0.216 280 P C 0.287 177.184 177.300 -0.672 0.000 1.153 280 P CA 1.238 63.573 63.100 -1.274 0.000 0.858 280 P CB 0.462 30.947 31.700 -2.025 0.000 0.789 281 D N -0.473 119.641 120.400 -0.476 0.000 2.218 281 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 281 D C 2.196 178.350 176.300 -0.243 0.000 0.976 281 D CA 1.052 54.876 54.000 -0.293 0.000 0.853 281 D CB -0.540 40.131 40.800 -0.215 0.000 0.939 281 D HN 0.202 nan 8.370 nan 0.000 0.481 282 S N 0.447 115.983 115.700 -0.272 0.000 2.345 282 S HA -0.089 4.381 4.470 -0.000 0.000 0.219 282 S C 2.165 176.659 174.600 -0.177 0.000 1.031 282 S CA 0.831 58.909 58.200 -0.202 0.000 0.984 282 S CB -0.172 62.908 63.200 -0.200 0.000 0.874 282 S HN 0.387 nan 8.310 nan 0.000 0.451 283 I N -0.826 119.596 120.570 -0.246 0.000 2.439 283 I HA -0.008 4.162 4.170 -0.000 0.000 0.251 283 I C 2.087 178.155 176.117 -0.081 0.000 1.139 283 I CA 1.124 62.341 61.300 -0.139 0.000 1.438 283 I CB -0.530 37.310 38.000 -0.267 0.000 1.085 283 I HN 0.252 nan 8.210 nan 0.000 0.427 284 I N 2.273 122.745 120.570 -0.165 0.000 2.133 284 I HA -0.254 3.916 4.170 -0.000 0.000 0.238 284 I C 2.305 178.367 176.117 -0.092 0.000 1.074 284 I CA 2.102 63.329 61.300 -0.121 0.000 1.342 284 I CB -0.641 37.270 38.000 -0.149 0.000 1.053 284 I HN 0.292 nan 8.210 nan 0.000 0.404 285 N N 0.491 119.129 118.700 -0.102 0.000 2.166 285 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 285 N C 1.882 177.354 175.510 -0.064 0.000 1.019 285 N CA 1.008 54.011 53.050 -0.079 0.000 0.856 285 N CB -0.283 38.154 38.487 -0.084 0.000 0.993 285 N HN 0.402 nan 8.380 nan 0.000 0.426 286 G N 0.510 109.275 108.800 -0.060 0.000 2.509 286 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 286 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 286 G C 1.543 176.428 174.900 -0.025 0.000 1.124 286 G CA 0.839 45.918 45.100 -0.036 0.000 0.776 286 G HN 0.409 nan 8.290 nan 0.000 0.547 287 S N -0.303 115.380 115.700 -0.028 0.000 2.527 287 S HA 0.020 4.490 4.470 -0.000 0.000 0.222 287 S C 0.777 175.330 174.600 -0.078 0.000 0.985 287 S CA -0.040 58.131 58.200 -0.048 0.000 0.921 287 S CB -0.003 63.164 63.200 -0.056 0.000 0.772 287 S HN 0.292 nan 8.310 nan 0.000 0.529 288 D N 2.022 122.382 120.400 -0.067 0.000 2.458 288 D HA 0.058 4.698 4.640 -0.000 0.000 0.243 288 D C 0.503 176.764 176.300 -0.066 0.000 1.146 288 D CA 0.246 54.208 54.000 -0.062 0.000 0.877 288 D CB 0.328 41.098 40.800 -0.049 0.000 1.176 288 D HN 0.364 nan 8.370 nan 0.000 0.461 289 N N 2.285 120.946 118.700 -0.065 0.000 2.348 289 N HA -0.192 4.548 4.740 -0.000 0.000 0.185 289 N C 1.608 177.092 175.510 -0.044 0.000 1.019 289 N CA 0.669 53.679 53.050 -0.065 0.000 0.880 289 N CB 0.123 38.580 38.487 -0.050 0.000 0.965 289 N HN 0.538 nan 8.380 nan 0.000 0.437 290 K N 0.589 120.969 120.400 -0.032 0.000 2.283 290 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 290 K C 1.440 178.026 176.600 -0.023 0.000 1.048 290 K CA 1.072 57.347 56.287 -0.020 0.000 0.948 290 K CB 0.052 32.542 32.500 -0.016 0.000 0.742 290 K HN 0.256 nan 8.250 nan 0.000 0.458 291 I N 1.002 121.550 120.570 -0.036 0.000 2.899 291 I HA 0.012 4.181 4.170 -0.000 0.000 0.257 291 I C 2.474 178.562 176.117 -0.049 0.000 1.115 291 I CA 0.486 61.763 61.300 -0.038 0.000 1.451 291 I CB -0.059 37.916 38.000 -0.040 0.000 1.251 291 I HN 0.176 nan 8.210 nan 0.000 0.456 292 A N 0.879 123.654 122.820 -0.076 0.000 2.024 292 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 292 A C 2.052 179.551 177.584 -0.142 0.000 1.164 292 A CA 1.428 53.389 52.037 -0.128 0.000 0.643 292 A CB -0.636 18.248 19.000 -0.194 0.000 0.806 292 A HN 0.445 nan 8.150 nan 0.000 0.451 293 L N -1.257 119.919 121.223 -0.079 0.000 2.640 293 L HA 0.298 4.638 4.340 -0.000 0.000 0.230 293 L C 1.039 177.928 176.870 0.032 0.000 1.123 293 L CA -0.098 54.737 54.840 -0.009 0.000 0.900 293 L CB -0.147 41.920 42.059 0.013 0.000 1.146 293 L HN 0.353 nan 8.230 nan 0.000 0.484 294 A N 0.658 123.483 122.820 0.009 0.000 2.293 294 A HA 0.719 5.039 4.320 -0.000 0.000 0.302 294 A C 0.387 177.975 177.584 0.006 0.000 1.119 294 A CA -0.254 51.796 52.037 0.022 0.000 0.823 294 A CB 0.611 19.614 19.000 0.005 0.000 1.097 294 A HN 0.175 nan 8.150 nan 0.000 0.491 295 A N 1.835 124.660 122.820 0.007 0.000 2.462 295 A HA 0.572 4.892 4.320 -0.000 0.000 0.243 295 A C 0.308 177.795 177.584 -0.161 0.000 1.076 295 A CA -0.015 51.956 52.037 -0.111 0.000 0.773 295 A CB 0.118 18.990 19.000 -0.213 0.000 1.010 295 A HN 0.718 nan 8.150 nan 0.000 0.493 296 R N 1.918 122.294 120.500 -0.206 0.000 2.604 296 R HA 0.454 4.794 4.340 -0.000 0.000 0.281 296 R C -3.151 173.019 176.300 -0.217 0.000 1.020 296 R CA -2.023 53.976 56.100 -0.169 0.000 0.899 296 R CB 2.030 32.276 30.300 -0.091 0.000 1.205 296 R HN 0.562 nan 8.270 nan 0.000 0.450 297 P HA 0.106 nan 4.420 nan 0.000 0.271 297 P C -0.214 177.027 177.300 -0.099 0.000 1.216 297 P CA -0.225 62.768 63.100 -0.179 0.000 0.776 297 P CB 0.955 32.576 31.700 -0.132 0.000 0.881 298 V N 0.037 119.903 119.914 -0.079 0.000 2.864 298 V HA 0.585 4.705 4.120 -0.000 0.000 0.314 298 V C -0.265 175.943 176.094 0.190 0.000 1.073 298 V CA -1.094 61.238 62.300 0.052 0.000 0.956 298 V CB 2.179 34.011 31.823 0.016 0.000 1.023 298 V HN 0.296 nan 8.190 nan 0.000 0.435 299 K N 2.574 123.130 120.400 0.260 0.000 2.265 299 K HA 0.748 5.068 4.320 -0.000 0.000 0.267 299 K C -0.009 176.812 176.600 0.368 0.000 0.994 299 K CA -0.324 56.114 56.287 0.252 0.000 0.860 299 K CB 1.974 34.560 32.500 0.144 0.000 1.099 299 K HN 1.063 nan 8.250 nan 0.000 0.448 300 A N 4.016 127.035 122.820 0.331 0.000 2.462 300 A HA 0.242 4.561 4.320 -0.000 0.000 0.243 300 A C 0.054 177.599 177.584 -0.065 0.000 1.076 300 A CA -0.219 51.809 52.037 -0.015 0.000 0.773 300 A CB -0.104 18.854 19.000 -0.071 0.000 1.010 300 A HN 0.755 nan 8.150 nan 0.000 0.493 301 I N 2.554 123.008 120.570 -0.193 0.000 2.306 301 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 301 I C -0.191 175.832 176.117 -0.155 0.000 1.036 301 I CA 0.096 61.332 61.300 -0.106 0.000 1.221 301 I CB 1.185 39.137 38.000 -0.079 0.000 1.385 301 I HN 0.532 nan 8.210 nan 0.000 0.472 302 T N 6.638 121.136 114.554 -0.094 0.000 2.874 302 T HA 0.406 4.756 4.350 -0.000 0.000 0.321 302 T C -1.638 173.026 174.700 -0.060 0.000 1.075 302 T CA -0.933 61.118 62.100 -0.081 0.000 0.966 302 T CB 0.638 69.477 68.868 -0.047 0.000 1.001 302 T HN 0.466 nan 8.240 nan 0.000 0.476 303 P HA 0.543 nan 4.420 nan 0.000 0.281 303 P C -3.077 174.133 177.300 -0.149 0.000 1.281 303 P CA -2.185 60.856 63.100 -0.099 0.000 0.811 303 P CB 0.080 31.736 31.700 -0.073 0.000 1.154 304 P HA 0.064 nan 4.420 nan 0.000 0.265 304 P C -0.318 176.812 177.300 -0.285 0.000 1.193 304 P CA 0.487 63.379 63.100 -0.347 0.000 0.765 304 P CB -0.098 31.238 31.700 -0.608 0.000 0.823 305 T N 5.871 120.260 114.554 -0.275 0.000 2.814 305 T HA 0.235 4.585 4.350 -0.000 0.000 0.297 305 T C -2.115 172.446 174.700 -0.232 0.000 0.956 305 T CA -1.050 60.918 62.100 -0.220 0.000 1.123 305 T CB -0.121 68.612 68.868 -0.224 0.000 0.902 305 T HN 0.264 nan 8.240 nan 0.000 0.528 306 P HA 0.203 nan 4.420 nan 0.000 0.269 306 P C -0.503 176.717 177.300 -0.133 0.000 1.215 306 P CA -0.467 62.550 63.100 -0.140 0.000 0.780 306 P CB 0.300 31.942 31.700 -0.098 0.000 0.898 307 A N 2.608 125.364 122.820 -0.106 0.000 2.581 307 A HA 0.017 4.337 4.320 -0.000 0.000 0.257 307 A C 0.210 177.737 177.584 -0.095 0.000 1.022 307 A CA 0.328 52.310 52.037 -0.092 0.000 0.812 307 A CB -0.879 18.082 19.000 -0.065 0.000 0.918 307 A HN 0.376 nan 8.150 nan 0.000 0.516 308 V N 6.188 126.038 119.914 -0.107 0.000 2.432 308 V HA 0.117 4.237 4.120 -0.000 0.000 0.271 308 V C 1.563 177.616 176.094 -0.068 0.000 1.046 308 V CA -0.330 61.915 62.300 -0.093 0.000 0.945 308 V CB 0.938 32.691 31.823 -0.117 0.000 0.992 308 V HN 1.057 nan 8.190 nan 0.000 0.471 309 R N 3.768 124.235 120.500 -0.055 0.000 2.081 309 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 309 R C 1.263 177.543 176.300 -0.034 0.000 1.131 309 R CA 1.426 57.495 56.100 -0.051 0.000 0.960 309 R CB -0.125 30.146 30.300 -0.049 0.000 0.856 309 R HN 0.716 nan 8.270 nan 0.000 0.436 310 A N 1.877 124.704 122.820 0.011 0.000 3.063 310 A HA 0.270 4.590 4.320 -0.000 0.000 0.263 310 A C -0.507 177.170 177.584 0.156 0.000 1.736 310 A CA 0.013 52.108 52.037 0.097 0.000 1.408 310 A CB 0.056 19.142 19.000 0.143 0.000 1.108 310 A HN 0.065 nan 8.150 nan 0.000 0.621 311 S N 0.530 116.286 115.700 0.093 0.000 2.599 311 S HA 0.570 5.040 4.470 -0.000 0.000 0.287 311 S C -1.062 173.608 174.600 0.116 0.000 1.105 311 S CA -0.586 57.687 58.200 0.120 0.000 0.899 311 S CB 1.297 64.485 63.200 -0.019 0.000 1.100 311 S HN 0.696 nan 8.310 nan 0.000 0.482 312 W N 3.595 124.913 121.300 0.030 0.000 2.314 312 W HA 0.596 5.256 4.660 -0.000 0.000 0.310 312 W C -1.923 174.447 176.519 -0.250 0.000 1.075 312 W CA -0.538 56.784 57.345 -0.038 0.000 1.253 312 W CB 0.689 30.235 29.460 0.142 0.000 1.238 312 W HN 0.353 nan 8.180 nan 0.000 0.440 313 V N 7.441 126.879 119.914 -0.793 0.000 2.459 313 V HA 0.474 4.594 4.120 -0.000 0.000 0.295 313 V C -0.080 175.599 176.094 -0.693 0.000 1.029 313 V CA -0.406 61.411 62.300 -0.805 0.000 0.874 313 V CB 1.404 32.248 31.823 -1.632 0.000 0.985 313 V HN 0.699 nan 8.190 nan 0.000 0.438 314 H N 2.385 121.392 119.070 -0.105 0.000 2.918 314 H HA 0.903 5.459 4.556 -0.000 0.000 0.303 314 H C -1.338 174.261 175.328 0.451 0.000 1.380 314 H CA -1.286 54.830 56.048 0.113 0.000 1.134 314 H CB 2.177 32.054 29.762 0.191 0.000 1.842 314 H HN 0.447 nan 8.280 nan 0.000 0.533 315 K N 1.078 121.626 120.400 0.247 0.000 2.580 315 K HA 0.248 4.568 4.320 -0.000 0.000 0.258 315 K C -1.509 175.226 176.600 0.225 0.000 0.936 315 K CA 0.027 56.405 56.287 0.151 0.000 0.852 315 K CB 1.993 34.572 32.500 0.133 0.000 1.329 315 K HN 0.939 nan 8.250 nan 0.000 0.430 316 T N 0.004 114.689 114.554 0.218 0.000 2.928 316 T HA 0.890 5.240 4.350 -0.000 0.000 0.284 316 T C 0.274 175.082 174.700 0.180 0.000 1.008 316 T CA -0.488 61.776 62.100 0.274 0.000 1.057 316 T CB 1.695 70.625 68.868 0.102 0.000 1.018 316 T HN 0.659 nan 8.240 nan 0.000 0.493 317 G N -0.524 108.387 108.800 0.185 0.000 2.733 317 G HA2 0.761 4.721 3.960 -0.000 0.000 0.297 317 G HA3 0.761 4.721 3.960 -0.000 0.000 0.297 317 G C -1.503 173.500 174.900 0.171 0.000 1.422 317 G CA -0.548 44.662 45.100 0.183 0.000 0.942 317 G HN 1.152 nan 8.290 nan 0.000 0.510 318 A N 0.366 123.282 122.820 0.161 0.000 2.612 318 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 318 A C -0.067 177.607 177.584 0.151 0.000 1.075 318 A CA 0.098 52.235 52.037 0.167 0.000 0.680 318 A CB 1.645 20.709 19.000 0.108 0.000 1.279 318 A HN 1.925 nan 8.150 nan 0.000 0.411 319 T N -2.393 112.285 114.554 0.206 0.000 2.742 319 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 319 T C 1.313 176.123 174.700 0.183 0.000 1.025 319 T CA 0.151 62.346 62.100 0.159 0.000 1.020 319 T CB 0.959 69.965 68.868 0.231 0.000 1.317 319 T HN 1.687 nan 8.240 nan 0.000 0.538 320 G N -0.227 108.665 108.800 0.152 0.000 2.469 320 G HA2 0.133 4.093 3.960 -0.000 0.000 0.220 320 G HA3 0.133 4.093 3.960 -0.000 0.000 0.220 320 G C 1.093 176.097 174.900 0.173 0.000 1.136 320 G CA 0.697 45.880 45.100 0.137 0.000 0.759 320 G HN 1.246 nan 8.290 nan 0.000 0.562 321 G N -1.440 107.518 108.800 0.263 0.000 3.596 321 G HA2 0.499 4.459 3.960 -0.000 0.000 0.274 321 G HA3 0.499 4.459 3.960 -0.000 0.000 0.274 321 G C -0.513 174.427 174.900 0.067 0.000 1.007 321 G CA -0.484 44.711 45.100 0.157 0.000 0.825 321 G HN 0.175 nan 8.290 nan 0.000 0.508 322 F N -0.482 119.608 119.950 0.233 0.000 2.613 322 F HA 0.736 5.263 4.527 -0.000 0.000 0.314 322 F C 0.305 176.253 175.800 0.247 0.000 1.075 322 F CA -1.051 57.125 58.000 0.292 0.000 0.945 322 F CB 2.527 41.719 39.000 0.320 0.000 1.310 322 F HN 0.033 nan 8.300 nan 0.000 0.467 323 G N 0.683 109.773 108.800 0.483 0.000 2.733 323 G HA2 0.559 4.519 3.960 -0.000 0.000 0.289 323 G HA3 0.559 4.519 3.960 -0.000 0.000 0.289 323 G C -1.646 173.447 174.900 0.323 0.000 1.473 323 G CA -0.708 44.565 45.100 0.289 0.000 1.123 323 G HN 0.767 nan 8.290 nan 0.000 0.544 324 S N 0.834 116.692 115.700 0.263 0.000 2.632 324 S HA 0.868 5.338 4.470 -0.000 0.000 0.289 324 S C -1.509 173.294 174.600 0.339 0.000 1.115 324 S CA -1.011 57.364 58.200 0.291 0.000 0.889 324 S CB 2.528 65.892 63.200 0.274 0.000 1.116 324 S HN 1.260 nan 8.310 nan 0.000 0.486 325 Y N 0.047 120.465 120.300 0.196 0.000 2.519 325 Y HA 0.644 5.194 4.550 -0.000 0.000 0.336 325 Y C -2.014 174.049 175.900 0.271 0.000 1.089 325 Y CA -0.863 57.366 58.100 0.214 0.000 1.025 325 Y CB 1.586 40.168 38.460 0.202 0.000 1.318 325 Y HN 0.785 nan 8.280 nan 0.000 0.452 326 V N 4.303 124.030 119.914 -0.313 0.000 2.709 326 V HA 0.980 5.100 4.120 -0.000 0.000 0.308 326 V C -0.918 174.929 176.094 -0.411 0.000 1.062 326 V CA -0.276 61.947 62.300 -0.128 0.000 0.901 326 V CB 1.558 33.577 31.823 0.326 0.000 1.003 326 V HN 1.029 nan 8.190 nan 0.000 0.425 327 A N 4.567 127.193 122.820 -0.323 0.000 2.547 327 A HA 1.020 5.340 4.320 -0.000 0.000 0.297 327 A C -1.319 175.994 177.584 -0.452 0.000 1.056 327 A CA -0.500 51.209 52.037 -0.547 0.000 0.688 327 A CB 1.721 20.335 19.000 -0.644 0.000 1.282 327 A HN 1.486 nan 8.150 nan 0.000 0.400 328 F N -0.578 118.913 119.950 -0.765 0.000 2.693 328 F HA 0.813 5.339 4.527 -0.000 0.000 0.309 328 F C -1.423 174.013 175.800 -0.607 0.000 1.129 328 F CA -1.210 56.421 58.000 -0.616 0.000 0.948 328 F CB 1.285 39.987 39.000 -0.498 0.000 1.315 328 F HN 0.318 nan 8.300 nan 0.000 0.447 329 I N 2.427 122.821 120.570 -0.294 0.000 2.495 329 I HA 0.312 4.482 4.170 -0.000 0.000 0.277 329 I C -2.165 173.840 176.117 -0.187 0.000 1.045 329 I CA -1.889 59.206 61.300 -0.342 0.000 1.135 329 I CB 1.656 39.303 38.000 -0.589 0.000 1.241 329 I HN 0.371 nan 8.210 nan 0.000 0.469 330 P HA -0.256 nan 4.420 nan 0.000 0.215 330 P C 1.463 178.689 177.300 -0.124 0.000 1.163 330 P CA 1.422 64.477 63.100 -0.075 0.000 0.894 330 P CB 0.306 31.976 31.700 -0.050 0.000 0.791 331 E N -0.405 119.718 120.200 -0.130 0.000 2.160 331 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 331 E C 1.185 177.697 176.600 -0.148 0.000 0.991 331 E CA 1.091 57.421 56.400 -0.117 0.000 0.810 331 E CB -0.069 29.581 29.700 -0.083 0.000 0.742 331 E HN 0.121 nan 8.360 nan 0.000 0.466 332 K N 0.129 120.401 120.400 -0.214 0.000 2.374 332 K HA 0.034 4.353 4.320 -0.000 0.000 0.196 332 K C -0.185 176.285 176.600 -0.215 0.000 1.023 332 K CA 0.290 56.442 56.287 -0.225 0.000 1.103 332 K CB 0.486 32.798 32.500 -0.313 0.000 0.848 332 K HN 0.181 nan 8.250 nan 0.000 0.528 333 E N 0.801 120.886 120.200 -0.192 0.000 2.360 333 E HA -0.230 4.120 4.350 -0.000 0.000 0.238 333 E C -0.588 175.900 176.600 -0.186 0.000 1.186 333 E CA 0.244 56.533 56.400 -0.185 0.000 0.719 333 E CB -1.679 27.910 29.700 -0.185 0.000 1.236 333 E HN 0.078 nan 8.360 nan 0.000 0.386 334 L N -0.343 120.772 121.223 -0.180 0.000 2.386 334 L HA 0.815 5.155 4.340 -0.000 0.000 0.271 334 L C 0.149 176.946 176.870 -0.122 0.000 0.993 334 L CA 0.249 55.008 54.840 -0.135 0.000 0.819 334 L CB 2.109 44.071 42.059 -0.161 0.000 1.294 334 L HN 0.087 nan 8.230 nan 0.000 0.414 335 G N 4.018 112.780 108.800 -0.064 0.000 2.608 335 G HA2 0.609 4.569 3.960 -0.000 0.000 0.291 335 G HA3 0.609 4.569 3.960 -0.000 0.000 0.291 335 G C -2.228 172.672 174.900 -0.001 0.000 1.425 335 G CA -0.412 44.653 45.100 -0.058 0.000 0.787 335 G HN 0.828 nan 8.290 nan 0.000 0.484 336 I N -0.401 120.176 120.570 0.012 0.000 2.841 336 I HA 0.638 4.808 4.170 -0.000 0.000 0.298 336 I C -1.441 174.742 176.117 0.111 0.000 1.304 336 I CA -0.947 60.405 61.300 0.088 0.000 1.019 336 I CB 2.264 40.346 38.000 0.136 0.000 1.282 336 I HN 0.417 nan 8.210 nan 0.000 0.432 337 V N 7.202 127.215 119.914 0.166 0.000 2.588 337 V HA 0.553 4.673 4.120 -0.000 0.000 0.304 337 V C -0.492 175.741 176.094 0.231 0.000 1.042 337 V CA -0.440 61.978 62.300 0.196 0.000 0.877 337 V CB 1.864 33.813 31.823 0.209 0.000 0.996 337 V HN 0.648 nan 8.190 nan 0.000 0.425 338 M N 6.034 125.786 119.600 0.254 0.000 2.106 338 M HA 0.593 5.073 4.480 -0.000 0.000 0.288 338 M C -1.422 175.002 176.300 0.207 0.000 0.941 338 M CA -0.122 55.335 55.300 0.263 0.000 0.934 338 M CB 1.860 34.672 32.600 0.352 0.000 1.551 338 M HN 0.400 nan 8.290 nan 0.000 0.437 339 L N 2.885 124.133 121.223 0.043 0.000 2.333 339 L HA 1.000 5.340 4.340 -0.000 0.000 0.280 339 L C -0.415 176.349 176.870 -0.177 0.000 1.004 339 L CA -0.696 54.039 54.840 -0.175 0.000 0.820 339 L CB 1.797 43.421 42.059 -0.725 0.000 1.247 339 L HN 0.777 nan 8.230 nan 0.000 0.416 340 A N 1.931 124.891 122.820 0.233 0.000 2.498 340 A HA 0.615 4.935 4.320 -0.000 0.000 0.298 340 A C -0.637 177.299 177.584 0.586 0.000 1.075 340 A CA -0.782 51.504 52.037 0.415 0.000 0.714 340 A CB 1.370 20.584 19.000 0.356 0.000 1.299 340 A HN 0.749 nan 8.150 nan 0.000 0.407 341 N N 1.163 120.125 118.700 0.436 0.000 2.758 341 N HA 0.236 4.976 4.740 -0.000 0.000 0.293 341 N C -0.530 174.958 175.510 -0.036 0.000 1.273 341 N CA -0.122 52.867 53.050 -0.101 0.000 1.022 341 N CB 0.240 38.643 38.487 -0.139 0.000 1.334 341 N HN 0.609 nan 8.380 nan 0.000 0.519 342 K N 0.185 120.668 120.400 0.139 0.000 2.557 342 K HA 0.170 4.490 4.320 -0.000 0.000 0.257 342 K C -1.722 175.073 176.600 0.324 0.000 0.933 342 K CA -0.529 55.876 56.287 0.195 0.000 0.820 342 K CB 1.596 34.205 32.500 0.180 0.000 1.330 342 K HN 0.204 nan 8.250 nan 0.000 0.432 343 N N 4.338 123.188 118.700 0.250 0.000 2.663 343 N HA 0.088 4.828 4.740 -0.000 0.000 0.250 343 N C -1.100 174.531 175.510 0.202 0.000 1.129 343 N CA -0.451 52.724 53.050 0.209 0.000 0.995 343 N CB 0.222 38.799 38.487 0.150 0.000 1.324 343 N HN 0.372 nan 8.380 nan 0.000 0.512 344 Y N 1.647 121.996 120.300 0.082 0.000 2.376 344 Y HA 0.636 5.186 4.550 -0.000 0.000 0.325 344 Y C -2.571 173.353 175.900 0.040 0.000 1.199 344 Y CA -3.544 54.587 58.100 0.052 0.000 1.206 344 Y CB -0.651 37.835 38.460 0.043 0.000 1.229 344 Y HN 0.305 nan 8.280 nan 0.000 0.480 345 P HA -0.094 nan 4.420 nan 0.000 0.261 345 P C 0.252 177.438 177.300 -0.190 0.000 1.158 345 P CA 0.581 63.644 63.100 -0.062 0.000 0.758 345 P CB 0.646 32.357 31.700 0.017 0.000 0.763 346 N N 4.931 123.521 118.700 -0.183 0.000 2.094 346 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 346 N C -0.832 174.567 175.510 -0.186 0.000 1.023 346 N CA 1.884 54.805 53.050 -0.215 0.000 0.857 346 N CB -1.778 36.616 38.487 -0.155 0.000 1.013 346 N HN 0.452 nan 8.380 nan 0.000 0.426 347 P HA -0.092 nan 4.420 nan 0.000 0.216 347 P C 1.099 178.373 177.300 -0.042 0.000 1.153 347 P CA 1.683 64.737 63.100 -0.077 0.000 0.858 347 P CB -0.080 31.590 31.700 -0.050 0.000 0.789 348 A N -0.182 122.641 122.820 0.006 0.000 1.972 348 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 348 A C 2.169 179.827 177.584 0.122 0.000 1.169 348 A CA 1.404 53.498 52.037 0.096 0.000 0.635 348 A CB -0.920 18.208 19.000 0.213 0.000 0.810 348 A HN 0.126 nan 8.150 nan 0.000 0.446 349 R N -0.591 119.923 120.500 0.022 0.000 2.066 349 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 349 R C 1.970 178.201 176.300 -0.115 0.000 1.131 349 R CA 1.470 57.568 56.100 -0.004 0.000 0.955 349 R CB -0.767 29.395 30.300 -0.230 0.000 0.851 349 R HN 0.348 nan 8.270 nan 0.000 0.432 350 V N 1.897 121.634 119.914 -0.295 0.000 2.343 350 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 350 V C 1.981 178.156 176.094 0.135 0.000 1.051 350 V CA 2.182 64.375 62.300 -0.178 0.000 1.036 350 V CB -0.624 31.109 31.823 -0.151 0.000 0.654 350 V HN 0.325 nan 8.190 nan 0.000 0.451 351 D N 0.535 120.988 120.400 0.087 0.000 2.104 351 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 351 D C 2.121 178.567 176.300 0.243 0.000 0.994 351 D CA 1.747 55.842 54.000 0.158 0.000 0.830 351 D CB -0.196 40.656 40.800 0.087 0.000 0.959 351 D HN 0.357 nan 8.370 nan 0.000 0.452 352 A N 0.536 123.469 122.820 0.189 0.000 1.883 352 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 352 A C 2.436 180.170 177.584 0.250 0.000 1.186 352 A CA 2.522 54.667 52.037 0.179 0.000 0.624 352 A CB -1.284 17.802 19.000 0.143 0.000 0.822 352 A HN 0.361 nan 8.150 nan 0.000 0.444 353 A N -1.140 121.896 122.820 0.361 0.000 1.908 353 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 353 A C 2.128 180.041 177.584 0.548 0.000 1.181 353 A CA 1.489 53.825 52.037 0.498 0.000 0.627 353 A CB -0.981 18.506 19.000 0.812 0.000 0.818 353 A HN 0.893 nan 8.150 nan 0.000 0.445 354 W N 0.599 122.131 121.300 0.388 0.000 2.354 354 W HA -0.210 4.450 4.660 -0.000 0.000 0.315 354 W C 1.943 178.600 176.519 0.231 0.000 1.206 354 W CA 2.046 59.574 57.345 0.304 0.000 1.290 354 W CB -0.374 29.133 29.460 0.078 0.000 1.152 354 W HN 0.383 nan 8.180 nan 0.000 0.489 355 Q N 0.737 120.590 119.800 0.088 0.000 2.112 355 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 355 Q C 2.244 178.187 176.000 -0.096 0.000 0.987 355 Q CA 2.300 58.071 55.803 -0.053 0.000 0.858 355 Q CB -0.976 27.805 28.738 0.071 0.000 0.905 355 Q HN 0.522 nan 8.270 nan 0.000 0.420 356 I N 0.151 120.722 120.570 0.003 0.000 2.163 356 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 356 I C 2.353 178.461 176.117 -0.015 0.000 1.081 356 I CA 0.853 62.154 61.300 0.002 0.000 1.353 356 I CB -0.357 37.676 38.000 0.055 0.000 1.054 356 I HN 0.123 nan 8.210 nan 0.000 0.407 357 L N 0.435 121.678 121.223 0.034 0.000 2.083 357 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 357 L C 2.271 179.098 176.870 -0.071 0.000 1.083 357 L CA 1.449 56.307 54.840 0.029 0.000 0.752 357 L CB -0.783 41.370 42.059 0.156 0.000 0.899 357 L HN 0.335 nan 8.230 nan 0.000 0.433 358 N N 0.321 118.841 118.700 -0.301 0.000 2.244 358 N HA -0.122 4.617 4.740 -0.000 0.000 0.183 358 N C 1.689 177.100 175.510 -0.165 0.000 1.016 358 N CA 1.217 54.035 53.050 -0.386 0.000 0.866 358 N CB 0.037 37.903 38.487 -1.035 0.000 0.980 358 N HN 0.273 nan 8.380 nan 0.000 0.430 359 A N -0.406 122.332 122.820 -0.137 0.000 2.066 359 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 359 A C 1.779 179.348 177.584 -0.025 0.000 1.157 359 A CA 0.701 52.697 52.037 -0.067 0.000 0.670 359 A CB -0.222 18.738 19.000 -0.066 0.000 0.804 359 A HN 0.343 nan 8.150 nan 0.000 0.453 360 L N -0.677 120.546 121.223 -0.000 0.000 2.664 360 L HA 0.096 4.436 4.340 -0.000 0.000 0.233 360 L C 1.473 178.428 176.870 0.142 0.000 1.113 360 L CA -0.254 54.636 54.840 0.082 0.000 0.896 360 L CB -0.084 42.039 42.059 0.106 0.000 1.163 360 L HN 0.513 nan 8.230 nan 0.000 0.497 361 Q N 0.000 119.840 119.800 0.067 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.835 55.803 0.054 0.000 1.022 361 Q CB 0.000 28.804 28.738 0.110 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481