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 1xvu_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPMPKFGPLA GLRVVFSGIE IAGPFAGQMF AEWGAEVIWI ENVAWADTIR DATA SEQUENCE VQPNYPQLSR RNLHALSLNI FKDEGREAFL KLMETTDIFI EASKGPAFAR DATA SEQUENCE RGITDEVLWQ HNPKLVIAHL SGFGQYGTEE YTNLPAYNTI AQAFSGYLIQ DATA SEQUENCE NGDVDQPMPA FPYTAAYFSG LTATTAALAA LHKVRETGKG ESIDIAMYEV DATA SEQUENCE MLRMGQYFMM DYFNGGEMCP RMSKGKDPYY AGCGLYKCAD GYIVMELVGI DATA SEQUENCE TQIEECFKDI GLAHLLGTPE IPEGTQLIHR IECPYGPLVE EKLDAWLATH DATA SEQUENCE TIAEVKERFA ELNIACAKVL TVPELESNPQ YVARESITQW QTMDGRTCKG DATA SEQUENCE PNIMPKFKNN PGQIWRGMPS HGMDTAAILK NIGYSENDIQ ELVSKGLAKV DATA SEQUENCE ED 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 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.857 176.870 -0.021 0.000 1.165 4 L CA 0.000 54.791 54.840 -0.081 0.000 0.813 4 L CB 0.000 41.899 42.059 -0.266 0.000 0.961 5 P HA 0.209 nan 4.420 nan 0.000 0.261 5 P C -0.940 176.349 177.300 -0.019 0.000 1.203 5 P CA 0.094 63.213 63.100 0.032 0.000 0.767 5 P CB 0.505 32.254 31.700 0.080 0.000 0.785 6 M N 1.871 121.356 119.600 -0.193 0.000 2.562 6 M HA 0.579 5.058 4.480 -0.002 0.000 0.281 6 M C -3.182 172.900 176.300 -0.363 0.000 1.195 6 M CA -2.073 52.887 55.300 -0.567 0.000 0.888 6 M CB 1.444 33.462 32.600 -0.971 0.000 1.731 6 M HN -0.098 nan 8.290 nan 0.000 0.493 7 P HA 0.210 nan 4.420 nan 0.000 0.269 7 P C -1.404 175.907 177.300 0.018 0.000 1.215 7 P CA -0.330 62.726 63.100 -0.073 0.000 0.780 7 P CB 0.540 32.247 31.700 0.013 0.000 0.898 8 K N 3.783 124.207 120.400 0.040 0.000 2.263 8 K HA 0.302 4.621 4.320 -0.002 0.000 0.282 8 K C -1.094 175.580 176.600 0.124 0.000 1.089 8 K CA -0.220 56.072 56.287 0.007 0.000 0.907 8 K CB -0.619 31.869 32.500 -0.020 0.000 1.148 8 K HN 0.534 nan 8.250 nan 0.000 0.470 9 F N 0.305 120.214 119.950 -0.069 0.000 2.686 9 F HA 0.638 5.164 4.527 -0.002 0.000 0.311 9 F C -0.135 175.642 175.800 -0.038 0.000 1.128 9 F CA -0.235 57.742 58.000 -0.039 0.000 0.946 9 F CB 0.843 39.837 39.000 -0.010 0.000 1.336 9 F HN 0.646 nan 8.300 nan 0.000 0.457 10 G N 1.610 110.436 108.800 0.043 0.000 2.795 10 G HA2 -0.071 3.888 3.960 -0.002 0.000 0.664 10 G HA3 -0.071 3.888 3.960 -0.002 0.000 0.664 10 G C -2.380 172.361 174.900 -0.264 0.000 1.381 10 G CA -0.477 44.549 45.100 -0.123 0.000 0.853 10 G HN 0.747 nan 8.290 nan 0.000 0.545 11 P HA 0.030 nan 4.420 nan 0.000 0.226 11 P C 1.363 178.543 177.300 -0.201 0.000 1.153 11 P CA 1.031 63.909 63.100 -0.369 0.000 0.777 11 P CB 0.103 31.416 31.700 -0.646 0.000 0.794 12 L N -1.111 120.013 121.223 -0.165 0.000 2.965 12 L HA 0.361 4.700 4.340 -0.002 0.000 0.254 12 L C 0.855 177.655 176.870 -0.117 0.000 1.220 12 L CA -0.775 54.029 54.840 -0.060 0.000 1.023 12 L CB -0.182 41.928 42.059 0.086 0.000 1.355 12 L HN -0.178 nan 8.230 nan 0.000 0.545 13 A N 0.219 122.925 122.820 -0.191 0.000 2.565 13 A HA 0.354 4.673 4.320 -0.002 0.000 0.237 13 A C 1.516 179.026 177.584 -0.123 0.000 1.053 13 A CA 0.908 52.822 52.037 -0.206 0.000 0.755 13 A CB -0.192 18.696 19.000 -0.188 0.000 0.980 13 A HN 0.694 nan 8.150 nan 0.000 0.506 14 G N 0.481 109.210 108.800 -0.119 0.000 2.155 14 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.257 14 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.257 14 G C 0.053 174.917 174.900 -0.061 0.000 0.983 14 G CA 0.580 45.630 45.100 -0.084 0.000 0.676 14 G HN 1.666 nan 8.290 nan 0.000 0.528 15 L N 0.192 121.384 121.223 -0.051 0.000 2.312 15 L HA 0.827 5.166 4.340 -0.002 0.000 0.281 15 L C 0.491 177.333 176.870 -0.048 0.000 1.070 15 L CA -0.967 53.853 54.840 -0.033 0.000 0.805 15 L CB 1.027 43.091 42.059 0.009 0.000 1.174 15 L HN 0.188 nan 8.230 nan 0.000 0.434 16 R N 3.559 124.021 120.500 -0.064 0.000 2.295 16 R HA 0.723 5.062 4.340 -0.002 0.000 0.324 16 R C -1.696 174.546 176.300 -0.098 0.000 0.968 16 R CA -0.484 55.573 56.100 -0.072 0.000 0.837 16 R CB 1.228 31.484 30.300 -0.073 0.000 1.133 16 R HN 0.593 nan 8.270 nan 0.000 0.450 17 V N 4.923 124.783 119.914 -0.090 0.000 2.656 17 V HA 0.504 4.623 4.120 -0.002 0.000 0.307 17 V C -0.746 175.352 176.094 0.005 0.000 1.051 17 V CA -0.807 61.414 62.300 -0.132 0.000 0.893 17 V CB 2.114 33.737 31.823 -0.333 0.000 0.999 17 V HN 0.447 nan 8.190 nan 0.000 0.426 18 V N 5.193 125.155 119.914 0.079 0.000 2.656 18 V HA 0.673 4.792 4.120 -0.002 0.000 0.307 18 V C -0.774 175.527 176.094 0.346 0.000 1.051 18 V CA -0.621 61.785 62.300 0.176 0.000 0.893 18 V CB 1.641 33.566 31.823 0.170 0.000 0.999 18 V HN 0.821 nan 8.190 nan 0.000 0.426 19 F N 1.510 121.599 119.950 0.232 0.000 2.576 19 F HA 0.874 5.400 4.527 -0.002 0.000 0.313 19 F C -0.362 175.594 175.800 0.260 0.000 1.078 19 F CA -1.102 56.970 58.000 0.120 0.000 0.921 19 F CB 2.159 41.158 39.000 -0.003 0.000 1.232 19 F HN 0.342 nan 8.300 nan 0.000 0.459 20 S N 1.873 117.801 115.700 0.380 0.000 2.707 20 S HA 0.866 5.335 4.470 -0.002 0.000 0.312 20 S C -0.478 174.333 174.600 0.352 0.000 1.116 20 S CA 0.223 58.658 58.200 0.391 0.000 1.078 20 S CB 0.417 63.903 63.200 0.477 0.000 0.997 20 S HN 1.634 nan 8.310 nan 0.000 0.477 21 G N 3.222 112.273 108.800 0.418 0.000 2.338 21 G HA2 0.453 4.412 3.960 -0.002 0.000 0.295 21 G HA3 0.453 4.412 3.960 -0.002 0.000 0.295 21 G C -1.414 173.672 174.900 0.309 0.000 1.461 21 G CA -0.406 44.860 45.100 0.277 0.000 0.817 21 G HN 1.033 nan 8.290 nan 0.000 0.556 22 I N -3.327 117.351 120.570 0.180 0.000 3.206 22 I HA 0.883 5.052 4.170 -0.002 0.000 0.313 22 I C 0.563 176.724 176.117 0.074 0.000 1.103 22 I CA -0.835 60.571 61.300 0.177 0.000 0.985 22 I CB 2.023 40.119 38.000 0.160 0.000 1.240 22 I HN 0.698 nan 8.210 nan 0.000 0.464 23 E N 0.307 120.556 120.200 0.082 0.000 3.148 23 E HA -0.252 4.097 4.350 -0.002 0.000 0.342 23 E C 0.751 177.326 176.600 -0.041 0.000 1.461 23 E CA 1.971 58.385 56.400 0.024 0.000 1.588 23 E CB -0.905 28.809 29.700 0.022 0.000 1.798 23 E HN 0.716 nan 8.360 nan 0.000 0.512 24 I N 0.304 120.795 120.570 -0.133 0.000 2.834 24 I HA 0.057 4.226 4.170 -0.002 0.000 0.239 24 I C 2.561 178.550 176.117 -0.214 0.000 1.073 24 I CA 1.627 62.788 61.300 -0.233 0.000 1.459 24 I CB -2.059 35.609 38.000 -0.553 0.000 1.288 24 I HN 0.528 nan 8.210 nan 0.000 0.455 25 A N 1.646 124.327 122.820 -0.231 0.000 1.859 25 A HA -0.208 4.111 4.320 -0.002 0.000 0.218 25 A C 2.424 179.934 177.584 -0.123 0.000 1.209 25 A CA 2.849 54.784 52.037 -0.169 0.000 0.639 25 A CB -1.595 17.313 19.000 -0.153 0.000 0.835 25 A HN 0.480 nan 8.150 nan 0.000 0.450 26 G N -0.451 108.264 108.800 -0.142 0.000 2.453 26 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.215 26 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.215 26 G C -0.254 174.399 174.900 -0.411 0.000 1.201 26 G CA 1.302 46.293 45.100 -0.181 0.000 0.784 26 G HN 0.515 nan 8.290 nan 0.000 0.545 27 P HA -0.081 nan 4.420 nan 0.000 0.218 27 P C 1.505 178.405 177.300 -0.667 0.000 1.148 27 P CA 0.516 63.057 63.100 -0.932 0.000 0.822 27 P CB -0.088 31.328 31.700 -0.473 0.000 0.784 28 F N 1.011 120.691 119.950 -0.449 0.000 2.134 28 F HA -0.155 4.371 4.527 -0.002 0.000 0.299 28 F C 2.199 177.817 175.800 -0.304 0.000 1.097 28 F CA 1.489 59.306 58.000 -0.305 0.000 1.264 28 F CB -0.961 37.913 39.000 -0.210 0.000 1.001 28 F HN -0.134 nan 8.300 nan 0.000 0.479 29 A N 0.100 122.744 122.820 -0.294 0.000 1.908 29 A HA -0.094 4.225 4.320 -0.002 0.000 0.218 29 A C 2.467 179.921 177.584 -0.216 0.000 1.181 29 A CA 1.879 53.756 52.037 -0.267 0.000 0.627 29 A CB -1.751 17.179 19.000 -0.116 0.000 0.818 29 A HN 0.513 nan 8.150 nan 0.000 0.445 30 G N -1.935 106.646 108.800 -0.364 0.000 2.426 30 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.214 30 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.214 30 G C 1.601 176.482 174.900 -0.031 0.000 1.156 30 G CA 0.839 45.858 45.100 -0.134 0.000 0.802 30 G HN 0.432 nan 8.290 nan 0.000 0.534 31 Q N -0.317 119.282 119.800 -0.335 0.000 2.230 31 Q HA 0.026 4.365 4.340 -0.002 0.000 0.202 31 Q C 2.356 178.150 176.000 -0.342 0.000 0.963 31 Q CA 0.758 56.418 55.803 -0.237 0.000 0.866 31 Q CB -0.150 28.397 28.738 -0.318 0.000 0.931 31 Q HN 0.390 nan 8.270 nan 0.000 0.452 32 M N -0.184 119.057 119.600 -0.599 0.000 2.149 32 M HA -0.117 4.362 4.480 -0.002 0.000 0.261 32 M C 1.442 177.199 176.300 -0.904 0.000 1.064 32 M CA 1.385 56.134 55.300 -0.918 0.000 1.102 32 M CB -0.703 31.193 32.600 -1.174 0.000 1.369 32 M HN 0.158 nan 8.290 nan 0.000 0.408 33 F N -0.248 119.408 119.950 -0.491 0.000 2.120 33 F HA -0.219 4.307 4.527 -0.002 0.000 0.300 33 F C 2.369 178.086 175.800 -0.138 0.000 1.095 33 F CA 1.541 59.387 58.000 -0.256 0.000 1.249 33 F CB -1.216 37.715 39.000 -0.115 0.000 0.995 33 F HN 0.265 nan 8.300 nan 0.000 0.480 34 A N -0.215 122.654 122.820 0.082 0.000 1.898 34 A HA -0.142 4.177 4.320 -0.002 0.000 0.216 34 A C 2.160 179.856 177.584 0.187 0.000 1.181 34 A CA 1.375 53.509 52.037 0.162 0.000 0.620 34 A CB -0.521 18.579 19.000 0.167 0.000 0.819 34 A HN 0.253 nan 8.150 nan 0.000 0.442 35 E N -0.744 119.453 120.200 -0.005 0.000 2.171 35 E HA -0.208 4.141 4.350 -0.002 0.000 0.197 35 E C 1.001 177.882 176.600 0.468 0.000 0.997 35 E CA 1.073 57.534 56.400 0.102 0.000 0.810 35 E CB -0.234 29.360 29.700 -0.176 0.000 0.738 35 E HN 0.918 nan 8.360 nan 0.000 0.467 36 W N -0.303 121.052 121.300 0.092 0.000 3.239 36 W HA 0.407 5.066 4.660 -0.002 0.000 0.368 36 W C 1.110 177.458 176.519 -0.284 0.000 1.154 36 W CA 0.290 57.615 57.345 -0.033 0.000 1.860 36 W CB 0.041 29.420 29.460 -0.134 0.000 1.094 36 W HN 0.196 nan 8.180 nan 0.000 0.643 37 G N -0.232 108.406 108.800 -0.270 0.000 2.184 37 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.206 37 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.206 37 G C 0.498 175.132 174.900 -0.444 0.000 0.995 37 G CA -0.308 44.176 45.100 -1.026 0.000 0.651 37 G HN 0.392 nan 8.290 nan 0.000 0.511 38 A N 0.008 122.766 122.820 -0.104 0.000 2.332 38 A HA 0.628 4.947 4.320 -0.002 0.000 0.258 38 A C 0.498 178.111 177.584 0.049 0.000 1.087 38 A CA 0.348 52.383 52.037 -0.003 0.000 0.802 38 A CB 0.434 19.509 19.000 0.124 0.000 1.042 38 A HN 0.488 nan 8.150 nan 0.000 0.489 39 E N 0.795 121.016 120.200 0.034 0.000 2.152 39 E HA 0.440 4.789 4.350 -0.002 0.000 0.285 39 E C -1.407 175.275 176.600 0.137 0.000 1.043 39 E CA -0.205 56.255 56.400 0.100 0.000 0.839 39 E CB 0.527 30.211 29.700 -0.026 0.000 1.069 39 E HN 0.345 nan 8.360 nan 0.000 0.399 40 V N 6.507 126.603 119.914 0.305 0.000 2.407 40 V HA 0.326 4.445 4.120 -0.002 0.000 0.291 40 V C -0.285 175.988 176.094 0.299 0.000 1.018 40 V CA -0.798 61.662 62.300 0.267 0.000 0.842 40 V CB 1.253 33.257 31.823 0.303 0.000 0.996 40 V HN 0.576 nan 8.190 nan 0.000 0.426 41 I N 4.758 125.412 120.570 0.141 0.000 2.304 41 I HA 0.309 4.478 4.170 -0.002 0.000 0.291 41 I C -0.466 175.561 176.117 -0.150 0.000 1.018 41 I CA -0.044 61.302 61.300 0.076 0.000 1.260 41 I CB 0.941 38.953 38.000 0.020 0.000 1.390 41 I HN 0.713 nan 8.210 nan 0.000 0.475 42 W N 9.132 130.167 121.300 -0.441 0.000 2.358 42 W HA 0.516 5.174 4.660 -0.002 0.000 0.307 42 W C -0.853 175.436 176.519 -0.384 0.000 1.203 42 W CA -1.392 55.437 57.345 -0.861 0.000 1.279 42 W CB 0.382 29.609 29.460 -0.388 0.000 1.264 42 W HN 0.279 nan 8.180 nan 0.000 0.474 43 I N 6.913 127.402 120.570 -0.135 0.000 2.315 43 I HA 0.213 4.382 4.170 -0.002 0.000 0.291 43 I C 0.264 176.336 176.117 -0.074 0.000 1.006 43 I CA -0.564 60.691 61.300 -0.075 0.000 1.265 43 I CB 0.975 39.012 38.000 0.062 0.000 1.387 43 I HN 0.321 nan 8.210 nan 0.000 0.475 44 E N 4.483 124.566 120.200 -0.195 0.000 2.235 44 E HA 0.295 4.644 4.350 -0.002 0.000 0.265 44 E C -0.501 176.092 176.600 -0.012 0.000 0.940 44 E CA -0.984 55.347 56.400 -0.115 0.000 0.819 44 E CB 1.616 31.163 29.700 -0.255 0.000 1.206 44 E HN 0.459 nan 8.360 nan 0.000 0.409 45 N N 0.435 119.149 118.700 0.024 0.000 2.340 45 N HA -0.032 4.707 4.740 -0.002 0.000 0.236 45 N C 0.628 176.187 175.510 0.080 0.000 1.296 45 N CA 0.413 53.482 53.050 0.032 0.000 0.896 45 N CB 1.223 39.732 38.487 0.036 0.000 1.127 45 N HN 0.489 nan 8.380 nan 0.000 0.442 46 V N 0.499 120.434 119.914 0.035 0.000 2.951 46 V HA 0.039 4.158 4.120 -0.002 0.000 0.255 46 V C 1.817 177.949 176.094 0.063 0.000 1.088 46 V CA 2.290 64.602 62.300 0.019 0.000 1.109 46 V CB -0.657 31.152 31.823 -0.025 0.000 0.724 46 V HN 0.761 nan 8.190 nan 0.000 0.471 47 A N -1.636 121.226 122.820 0.070 0.000 1.920 47 A HA 0.477 4.796 4.320 -0.002 0.000 0.209 47 A C 1.307 178.940 177.584 0.082 0.000 1.229 47 A CA 1.213 53.288 52.037 0.063 0.000 0.671 47 A CB -0.424 18.597 19.000 0.035 0.000 0.886 47 A HN 1.418 nan 8.150 nan 0.000 0.461 48 W N -1.047 120.286 121.300 0.056 0.000 2.576 48 W HA 0.769 5.428 4.660 -0.002 0.000 0.360 48 W C 0.042 176.500 176.519 -0.102 0.000 1.109 48 W CA -1.025 56.322 57.345 0.005 0.000 1.237 48 W CB 0.311 29.775 29.460 0.007 0.000 1.369 48 W HN 0.734 nan 8.180 nan 0.000 0.609 49 A N 1.249 123.919 122.820 -0.249 0.000 2.299 49 A HA 0.552 4.871 4.320 -0.002 0.000 0.332 49 A C -0.063 177.434 177.584 -0.146 0.000 1.131 49 A CA -0.250 51.500 52.037 -0.478 0.000 0.844 49 A CB 0.667 19.227 19.000 -0.734 0.000 1.251 49 A HN 0.897 nan 8.150 nan 0.000 0.486 50 D N 0.840 121.214 120.400 -0.044 0.000 2.658 50 D HA -0.051 4.588 4.640 -0.002 0.000 0.230 50 D C 1.789 178.171 176.300 0.137 0.000 1.118 50 D CA 1.158 55.267 54.000 0.182 0.000 0.848 50 D CB 0.791 41.905 40.800 0.524 0.000 1.160 50 D HN 0.636 nan 8.370 nan 0.000 0.497 51 T N 1.985 116.616 114.554 0.128 0.000 2.849 51 T HA -0.245 4.104 4.350 -0.002 0.000 0.270 51 T C 2.116 176.884 174.700 0.114 0.000 1.066 51 T CA 0.606 62.768 62.100 0.103 0.000 1.130 51 T CB -0.169 68.762 68.868 0.104 0.000 0.864 51 T HN 0.426 nan 8.240 nan 0.000 0.481 52 I N 1.969 122.629 120.570 0.150 0.000 2.315 52 I HA -0.119 4.050 4.170 -0.002 0.000 0.251 52 I C 2.535 178.745 176.117 0.155 0.000 1.125 52 I CA 1.057 62.448 61.300 0.152 0.000 1.392 52 I CB -0.404 37.685 38.000 0.147 0.000 1.065 52 I HN 0.201 nan 8.210 nan 0.000 0.424 53 R N -0.731 119.868 120.500 0.166 0.000 2.249 53 R HA -0.095 4.244 4.340 -0.002 0.000 0.230 53 R C 2.002 178.362 176.300 0.101 0.000 1.121 53 R CA 1.161 57.346 56.100 0.141 0.000 0.997 53 R CB -0.382 29.988 30.300 0.118 0.000 0.867 53 R HN 0.299 nan 8.270 nan 0.000 0.465 54 V N 0.878 120.845 119.914 0.089 0.000 2.970 54 V HA -0.117 4.002 4.120 -0.002 0.000 0.260 54 V C 0.872 177.014 176.094 0.081 0.000 1.100 54 V CA 1.098 63.441 62.300 0.072 0.000 1.122 54 V CB -0.365 31.492 31.823 0.057 0.000 0.721 54 V HN 0.245 nan 8.190 nan 0.000 0.483 55 Q N 1.109 120.972 119.800 0.106 0.000 2.304 55 Q HA 0.176 4.515 4.340 -0.002 0.000 0.260 55 Q C -1.330 174.743 176.000 0.120 0.000 0.965 55 Q CA -1.775 54.102 55.803 0.124 0.000 0.898 55 Q CB 0.682 29.525 28.738 0.176 0.000 1.196 55 Q HN 0.231 nan 8.270 nan 0.000 0.402 56 P HA -0.095 nan 4.420 nan 0.000 0.217 56 P C -0.022 177.332 177.300 0.090 0.000 1.151 56 P CA 1.361 64.511 63.100 0.085 0.000 0.828 56 P CB 0.643 32.385 31.700 0.069 0.000 0.788 57 N N -2.715 116.057 118.700 0.121 0.000 2.486 57 N HA 0.004 4.743 4.740 -0.002 0.000 0.242 57 N C 1.588 177.199 175.510 0.169 0.000 1.083 57 N CA -0.299 52.821 53.050 0.117 0.000 0.844 57 N CB -0.773 37.772 38.487 0.095 0.000 1.527 57 N HN -0.135 nan 8.380 nan 0.000 0.462 58 Y N 3.184 123.536 120.300 0.086 0.000 2.139 58 Y HA -0.115 4.434 4.550 -0.002 0.000 0.282 58 Y C -1.178 174.788 175.900 0.110 0.000 1.179 58 Y CA 1.742 59.903 58.100 0.102 0.000 1.161 58 Y CB -1.120 37.397 38.460 0.095 0.000 0.970 58 Y HN 0.078 nan 8.280 nan 0.000 0.511 59 P HA -0.173 nan 4.420 nan 0.000 0.221 59 P C 1.312 178.571 177.300 -0.069 0.000 1.145 59 P CA 1.699 64.729 63.100 -0.117 0.000 0.795 59 P CB -0.128 31.602 31.700 0.049 0.000 0.775 60 Q N -0.981 118.843 119.800 0.040 0.000 2.170 60 Q HA -0.137 4.202 4.340 -0.002 0.000 0.203 60 Q C 2.062 178.208 176.000 0.244 0.000 0.976 60 Q CA 1.087 56.991 55.803 0.168 0.000 0.858 60 Q CB -0.958 27.895 28.738 0.191 0.000 0.907 60 Q HN 0.318 nan 8.270 nan 0.000 0.433 61 L N 0.583 121.876 121.223 0.116 0.000 2.084 61 L HA -0.037 4.302 4.340 -0.002 0.000 0.202 61 L C 2.171 178.892 176.870 -0.248 0.000 1.074 61 L CA 2.074 56.912 54.840 -0.003 0.000 0.757 61 L CB -0.641 41.456 42.059 0.064 0.000 0.918 61 L HN 0.150 nan 8.230 nan 0.000 0.444 62 S N -1.306 114.109 115.700 -0.475 0.000 2.561 62 S HA 0.067 4.536 4.470 -0.002 0.000 0.225 62 S C 1.484 175.875 174.600 -0.348 0.000 0.977 62 S CA 0.018 57.955 58.200 -0.438 0.000 0.926 62 S CB -0.282 62.510 63.200 -0.679 0.000 0.769 62 S HN 0.465 nan 8.310 nan 0.000 0.533 63 R N 1.408 121.722 120.500 -0.309 0.000 2.565 63 R HA 0.235 4.574 4.340 -0.002 0.000 0.347 63 R C 0.128 176.318 176.300 -0.183 0.000 1.010 63 R CA -0.181 55.728 56.100 -0.318 0.000 1.126 63 R CB 0.161 30.203 30.300 -0.431 0.000 1.331 63 R HN 0.669 nan 8.270 nan 0.000 0.552 64 R N 1.023 121.400 120.500 -0.205 0.000 2.694 64 R HA 0.098 4.437 4.340 -0.002 0.000 0.268 64 R C -0.312 175.817 176.300 -0.285 0.000 1.061 64 R CA -0.170 55.773 56.100 -0.260 0.000 1.133 64 R CB 0.172 30.232 30.300 -0.400 0.000 1.020 64 R HN -0.125 nan 8.270 nan 0.000 0.475 65 N N -0.797 117.622 118.700 -0.467 0.000 2.782 65 N HA -0.156 4.583 4.740 -0.002 0.000 0.251 65 N C -1.081 174.348 175.510 -0.134 0.000 1.101 65 N CA 1.203 53.949 53.050 -0.507 0.000 0.764 65 N CB -1.162 37.288 38.487 -0.062 0.000 1.122 65 N HN 0.550 nan 8.380 nan 0.000 0.561 66 L N 0.265 121.393 121.223 -0.158 0.000 2.334 66 L HA 0.422 4.761 4.340 -0.002 0.000 0.270 66 L C 0.576 177.420 176.870 -0.043 0.000 1.018 66 L CA -0.770 54.105 54.840 0.059 0.000 0.811 66 L CB 1.287 43.462 42.059 0.194 0.000 1.271 66 L HN 0.130 nan 8.230 nan 0.000 0.443 67 H N 0.932 120.151 119.070 0.249 0.000 2.457 67 H HA 0.482 5.037 4.556 -0.002 0.000 0.335 67 H C -0.598 174.828 175.328 0.163 0.000 1.115 67 H CA -0.724 55.441 56.048 0.196 0.000 1.219 67 H CB 2.030 31.896 29.762 0.174 0.000 1.471 67 H HN 0.621 nan 8.280 nan 0.000 0.491 68 A N 4.191 127.123 122.820 0.187 0.000 2.256 68 A HA 0.312 4.631 4.320 -0.002 0.000 0.317 68 A C -0.493 177.055 177.584 -0.059 0.000 1.318 68 A CA -0.558 51.481 52.037 0.004 0.000 0.894 68 A CB 0.202 19.134 19.000 -0.114 0.000 1.165 68 A HN 0.435 nan 8.150 nan 0.000 0.525 69 L N 2.464 123.631 121.223 -0.093 0.000 2.357 69 L HA 0.730 5.069 4.340 -0.002 0.000 0.273 69 L C 0.289 177.067 176.870 -0.152 0.000 1.080 69 L CA 0.265 55.048 54.840 -0.095 0.000 0.803 69 L CB 1.856 43.884 42.059 -0.052 0.000 1.174 69 L HN 0.511 nan 8.230 nan 0.000 0.443 70 S N 4.684 120.305 115.700 -0.132 0.000 2.789 70 S HA 0.740 5.209 4.470 -0.002 0.000 0.286 70 S C -1.510 173.031 174.600 -0.098 0.000 1.153 70 S CA -0.475 57.649 58.200 -0.127 0.000 1.084 70 S CB 0.254 63.307 63.200 -0.246 0.000 1.036 70 S HN 0.628 nan 8.310 nan 0.000 0.484 71 L N 4.594 125.773 121.223 -0.073 0.000 2.505 71 L HA 0.601 4.940 4.340 -0.002 0.000 0.259 71 L C -1.119 175.694 176.870 -0.095 0.000 0.952 71 L CA -0.376 54.420 54.840 -0.073 0.000 0.840 71 L CB 2.083 44.108 42.059 -0.057 0.000 1.358 71 L HN 0.603 nan 8.230 nan 0.000 0.409 72 N N 4.290 122.936 118.700 -0.090 0.000 2.448 72 N HA 0.188 4.927 4.740 -0.002 0.000 0.250 72 N C 0.882 176.277 175.510 -0.193 0.000 1.136 72 N CA -0.147 52.838 53.050 -0.109 0.000 0.953 72 N CB 0.419 38.875 38.487 -0.051 0.000 1.251 72 N HN 0.744 nan 8.380 nan 0.000 0.502 73 I N -0.523 119.804 120.570 -0.404 0.000 3.564 73 I HA 0.133 4.302 4.170 -0.002 0.000 0.294 73 I C -0.136 175.516 176.117 -0.776 0.000 1.289 73 I CA 0.527 61.418 61.300 -0.682 0.000 1.325 73 I CB -0.206 37.077 38.000 -1.195 0.000 1.039 73 I HN 0.097 nan 8.210 nan 0.000 0.474 74 F N 1.041 120.846 119.950 -0.241 0.000 2.746 74 F HA 0.411 4.937 4.527 -0.002 0.000 0.313 74 F C 0.779 176.507 175.800 -0.120 0.000 1.095 74 F CA -0.412 57.465 58.000 -0.205 0.000 1.224 74 F CB 0.218 39.077 39.000 -0.236 0.000 1.060 74 F HN -0.100 nan 8.300 nan 0.000 0.584 75 K N 1.174 121.603 120.400 0.048 0.000 2.293 75 K HA 0.382 4.701 4.320 -0.002 0.000 0.267 75 K C -0.086 176.518 176.600 0.007 0.000 1.010 75 K CA -0.167 56.136 56.287 0.027 0.000 0.875 75 K CB 0.392 32.901 32.500 0.016 0.000 1.106 75 K HN -0.027 nan 8.250 nan 0.000 0.450 76 D N 1.924 122.332 120.400 0.014 0.000 3.899 76 D HA -0.369 4.270 4.640 -0.002 0.000 0.146 76 D C 1.198 177.501 176.300 0.004 0.000 0.820 76 D CA 2.674 56.679 54.000 0.009 0.000 1.056 76 D CB -0.662 40.140 40.800 0.003 0.000 0.474 76 D HN 0.616 nan 8.370 nan 0.000 0.457 77 E N 0.486 120.685 120.200 -0.002 0.000 2.208 77 E HA 0.185 4.534 4.350 -0.002 0.000 0.193 77 E C 2.210 178.802 176.600 -0.014 0.000 0.988 77 E CA 1.933 58.330 56.400 -0.006 0.000 0.828 77 E CB -1.077 28.618 29.700 -0.008 0.000 0.763 77 E HN 0.582 nan 8.360 nan 0.000 0.478 78 G N 0.702 109.490 108.800 -0.021 0.000 2.469 78 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.219 78 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.219 78 G C 1.835 176.714 174.900 -0.035 0.000 1.150 78 G CA 1.179 46.258 45.100 -0.035 0.000 0.763 78 G HN 0.514 nan 8.290 nan 0.000 0.561 79 R N 0.585 121.066 120.500 -0.031 0.000 2.066 79 R HA -0.025 4.314 4.340 -0.002 0.000 0.232 79 R C 2.795 179.109 176.300 0.023 0.000 1.131 79 R CA 1.989 58.082 56.100 -0.012 0.000 0.955 79 R CB -0.550 29.755 30.300 0.008 0.000 0.851 79 R HN 0.391 nan 8.270 nan 0.000 0.432 80 E N 0.516 120.715 120.200 -0.001 0.000 2.130 80 E HA -0.181 4.168 4.350 -0.002 0.000 0.196 80 E C 1.802 178.368 176.600 -0.056 0.000 0.998 80 E CA 1.533 57.917 56.400 -0.026 0.000 0.806 80 E CB -0.702 28.995 29.700 -0.006 0.000 0.738 80 E HN 0.692 nan 8.360 nan 0.000 0.459 81 A N -0.262 122.539 122.820 -0.032 0.000 1.841 81 A HA 0.134 4.452 4.320 -0.002 0.000 0.214 81 A C 2.231 179.774 177.584 -0.069 0.000 1.195 81 A CA 1.568 53.577 52.037 -0.046 0.000 0.611 81 A CB -0.710 18.273 19.000 -0.027 0.000 0.835 81 A HN 0.679 nan 8.150 nan 0.000 0.443 82 F N 0.739 120.579 119.950 -0.183 0.000 2.087 82 F HA -0.264 4.262 4.527 -0.001 0.000 0.299 82 F C 1.887 177.520 175.800 -0.279 0.000 1.100 82 F CA 2.171 60.033 58.000 -0.230 0.000 1.226 82 F CB -0.215 38.631 39.000 -0.256 0.000 0.983 82 F HN 0.162 nan 8.300 nan 0.000 0.479 83 L N 0.253 121.269 121.223 -0.344 0.000 2.093 83 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 83 L C 2.905 179.444 176.870 -0.552 0.000 1.085 83 L CA 1.553 56.027 54.840 -0.609 0.000 0.755 83 L CB -1.221 40.383 42.059 -0.759 0.000 0.904 83 L HN 0.215 nan 8.230 nan 0.000 0.435 84 K N 0.374 120.572 120.400 -0.336 0.000 2.057 84 K HA -0.172 4.146 4.320 -0.002 0.000 0.206 84 K C 1.985 178.462 176.600 -0.206 0.000 1.050 84 K CA 1.671 57.846 56.287 -0.187 0.000 0.935 84 K CB -1.218 31.218 32.500 -0.105 0.000 0.715 84 K HN 0.201 nan 8.250 nan 0.000 0.439 85 L N 0.375 121.441 121.223 -0.261 0.000 2.043 85 L HA -0.166 4.173 4.340 -0.002 0.000 0.212 85 L C 2.373 179.044 176.870 -0.332 0.000 1.075 85 L CA 2.011 56.685 54.840 -0.275 0.000 0.752 85 L CB -0.346 41.533 42.059 -0.299 0.000 0.891 85 L HN 0.366 nan 8.230 nan 0.000 0.432 86 M N -0.285 119.021 119.600 -0.491 0.000 2.358 86 M HA -0.121 4.358 4.480 -0.002 0.000 0.264 86 M C 2.358 178.533 176.300 -0.208 0.000 1.064 86 M CA 1.750 56.780 55.300 -0.450 0.000 1.093 86 M CB -1.801 30.428 32.600 -0.618 0.000 1.401 86 M HN 0.577 nan 8.290 nan 0.000 0.440 87 E N 0.007 120.120 120.200 -0.145 0.000 2.274 87 E HA -0.008 4.341 4.350 -0.002 0.000 0.194 87 E C 1.865 178.431 176.600 -0.057 0.000 0.996 87 E CA 1.676 58.046 56.400 -0.050 0.000 0.840 87 E CB -1.177 28.518 29.700 -0.008 0.000 0.772 87 E HN 0.700 nan 8.360 nan 0.000 0.491 88 T N -0.553 113.947 114.554 -0.091 0.000 3.069 88 T HA 0.291 4.639 4.350 -0.002 0.000 0.252 88 T C 1.191 175.842 174.700 -0.082 0.000 1.053 88 T CA 0.663 62.717 62.100 -0.078 0.000 0.964 88 T CB 0.078 68.896 68.868 -0.082 0.000 1.005 88 T HN 0.242 nan 8.240 nan 0.000 0.532 89 T N 1.904 116.398 114.554 -0.101 0.000 2.856 89 T HA 0.303 4.652 4.350 -0.002 0.000 0.292 89 T C 0.210 174.878 174.700 -0.053 0.000 0.980 89 T CA -0.586 61.458 62.100 -0.093 0.000 1.091 89 T CB 1.436 70.221 68.868 -0.138 0.000 0.936 89 T HN 0.161 nan 8.240 nan 0.000 0.503 90 D N 1.580 121.949 120.400 -0.050 0.000 2.259 90 D HA 0.183 4.822 4.640 -0.002 0.000 0.216 90 D C 0.430 176.716 176.300 -0.024 0.000 0.961 90 D CA 0.876 54.858 54.000 -0.031 0.000 0.878 90 D CB 0.573 41.348 40.800 -0.041 0.000 1.009 90 D HN 0.422 nan 8.370 nan 0.000 0.490 91 I N 0.278 120.808 120.570 -0.065 0.000 2.569 91 I HA 0.222 4.390 4.170 -0.002 0.000 0.290 91 I C -1.428 174.686 176.117 -0.004 0.000 1.088 91 I CA -0.924 60.328 61.300 -0.081 0.000 1.047 91 I CB 2.793 40.632 38.000 -0.268 0.000 1.237 91 I HN -0.270 nan 8.210 nan 0.000 0.421 92 F N 7.948 127.816 119.950 -0.137 0.000 2.460 92 F HA 0.593 5.119 4.527 -0.002 0.000 0.341 92 F C -0.973 174.752 175.800 -0.125 0.000 1.130 92 F CA -0.951 56.980 58.000 -0.116 0.000 0.962 92 F CB 0.911 39.841 39.000 -0.116 0.000 1.171 92 F HN 0.093 nan 8.300 nan 0.000 0.436 93 I N 5.274 125.529 120.570 -0.525 0.000 2.331 93 I HA 0.332 4.501 4.170 -0.002 0.000 0.292 93 I C -0.623 174.951 176.117 -0.905 0.000 0.998 93 I CA -0.525 60.450 61.300 -0.542 0.000 1.267 93 I CB 1.126 39.011 38.000 -0.191 0.000 1.386 93 I HN 0.637 nan 8.210 nan 0.000 0.476 94 E N 4.861 124.559 120.200 -0.837 0.000 2.272 94 E HA 0.774 5.123 4.350 -0.002 0.000 0.269 94 E C -1.485 174.963 176.600 -0.253 0.000 0.877 94 E CA -0.980 55.034 56.400 -0.643 0.000 0.755 94 E CB 2.082 31.128 29.700 -1.090 0.000 1.192 94 E HN 0.618 nan 8.360 nan 0.000 0.422 95 A N 2.498 125.284 122.820 -0.058 0.000 2.310 95 A HA 0.723 5.042 4.320 -0.002 0.000 0.304 95 A C -0.699 176.946 177.584 0.101 0.000 1.231 95 A CA -0.576 51.464 52.037 0.005 0.000 0.799 95 A CB 0.909 19.897 19.000 -0.020 0.000 1.162 95 A HN 0.505 nan 8.150 nan 0.000 0.486 96 S N 0.713 116.484 115.700 0.119 0.000 2.661 96 S HA 0.443 4.912 4.470 -0.002 0.000 0.285 96 S C -0.565 174.101 174.600 0.110 0.000 1.138 96 S CA -0.763 57.542 58.200 0.175 0.000 0.855 96 S CB 1.462 64.852 63.200 0.317 0.000 1.136 96 S HN 0.613 nan 8.310 nan 0.000 0.484 97 K N 2.080 122.541 120.400 0.101 0.000 2.237 97 K HA 0.431 4.750 4.320 -0.002 0.000 0.283 97 K C 1.040 177.701 176.600 0.101 0.000 1.080 97 K CA 0.671 57.012 56.287 0.090 0.000 0.965 97 K CB -0.467 32.072 32.500 0.066 0.000 1.098 97 K HN 0.850 nan 8.250 nan 0.000 0.434 98 G N 4.744 113.613 108.800 0.115 0.000 2.582 98 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.288 98 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.288 98 G C -2.075 172.881 174.900 0.093 0.000 1.247 98 G CA -0.447 44.715 45.100 0.104 0.000 0.972 98 G HN 0.526 nan 8.290 nan 0.000 0.557 99 P HA 0.432 nan 4.420 nan 0.000 0.218 99 P C 0.758 178.114 177.300 0.094 0.000 1.793 99 P CA 0.907 64.039 63.100 0.054 0.000 0.941 99 P CB 0.239 31.959 31.700 0.032 0.000 1.919 100 A N -0.030 122.880 122.820 0.150 0.000 1.930 100 A HA -0.130 4.189 4.320 -0.002 0.000 0.217 100 A C 1.678 179.303 177.584 0.069 0.000 1.175 100 A CA 1.035 53.129 52.037 0.095 0.000 0.627 100 A CB -1.312 17.753 19.000 0.108 0.000 0.815 100 A HN 0.160 nan 8.150 nan 0.000 0.443 101 F N 0.196 120.197 119.950 0.086 0.000 2.186 101 F HA -0.057 4.469 4.527 -0.002 0.000 0.299 101 F C 2.733 178.590 175.800 0.097 0.000 1.090 101 F CA 0.971 59.083 58.000 0.186 0.000 1.307 101 F CB -0.421 38.783 39.000 0.339 0.000 1.019 101 F HN 0.262 nan 8.300 nan 0.000 0.489 102 A N 0.775 123.735 122.820 0.233 0.000 1.873 102 A HA -0.176 4.143 4.320 -0.002 0.000 0.215 102 A C 2.046 179.655 177.584 0.041 0.000 1.186 102 A CA 1.484 53.593 52.037 0.120 0.000 0.616 102 A CB -0.725 18.316 19.000 0.069 0.000 0.823 102 A HN 0.465 nan 8.150 nan 0.000 0.442 103 R N -0.924 119.577 120.500 0.002 0.000 2.328 103 R HA 0.166 4.505 4.340 -0.002 0.000 0.200 103 R C 1.238 177.464 176.300 -0.124 0.000 0.983 103 R CA 0.726 56.799 56.100 -0.046 0.000 1.062 103 R CB -0.212 30.064 30.300 -0.041 0.000 0.956 103 R HN 0.349 nan 8.270 nan 0.000 0.479 104 R N -0.206 120.182 120.500 -0.187 0.000 2.472 104 R HA 0.194 4.533 4.340 -0.002 0.000 0.279 104 R C 0.399 176.612 176.300 -0.146 0.000 0.953 104 R CA 0.449 56.352 56.100 -0.328 0.000 1.088 104 R CB 1.262 31.025 30.300 -0.894 0.000 1.197 104 R HN 0.521 nan 8.270 nan 0.000 0.536 105 G N 1.044 109.832 108.800 -0.020 0.000 2.307 105 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.210 105 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.210 105 G C 0.238 175.215 174.900 0.127 0.000 1.005 105 G CA -0.517 44.614 45.100 0.051 0.000 0.634 105 G HN 0.185 nan 8.290 nan 0.000 0.496 106 I N 3.978 124.672 120.570 0.207 0.000 2.224 106 I HA 0.292 4.461 4.170 -0.002 0.000 0.293 106 I C 1.341 177.628 176.117 0.284 0.000 1.155 106 I CA 0.271 61.751 61.300 0.299 0.000 1.297 106 I CB 0.076 38.360 38.000 0.472 0.000 1.487 106 I HN 0.344 nan 8.210 nan 0.000 0.564 107 T N -0.761 113.894 114.554 0.168 0.000 2.788 107 T HA 0.162 4.511 4.350 -0.002 0.000 0.280 107 T C 0.937 175.647 174.700 0.018 0.000 0.984 107 T CA -0.646 61.514 62.100 0.101 0.000 0.972 107 T CB 1.503 70.409 68.868 0.063 0.000 1.039 107 T HN 0.316 nan 8.240 nan 0.000 0.530 108 D N 0.337 120.673 120.400 -0.108 0.000 2.144 108 D HA -0.055 4.584 4.640 -0.002 0.000 0.199 108 D C 1.976 177.970 176.300 -0.511 0.000 0.984 108 D CA 1.190 54.900 54.000 -0.483 0.000 0.834 108 D CB -0.189 40.228 40.800 -0.639 0.000 0.955 108 D HN 0.656 nan 8.370 nan 0.000 0.465 109 E N 0.051 120.190 120.200 -0.101 0.000 2.150 109 E HA -0.063 4.286 4.350 -0.002 0.000 0.193 109 E C 2.264 178.932 176.600 0.114 0.000 0.985 109 E CA 0.121 56.599 56.400 0.129 0.000 0.814 109 E CB -0.239 29.552 29.700 0.152 0.000 0.752 109 E HN 0.079 nan 8.360 nan 0.000 0.466 110 V N 0.619 120.580 119.914 0.078 0.000 2.307 110 V HA -0.226 3.892 4.120 -0.002 0.000 0.245 110 V C 2.173 178.370 176.094 0.173 0.000 1.045 110 V CA 1.384 63.762 62.300 0.130 0.000 1.024 110 V CB -0.405 31.509 31.823 0.151 0.000 0.651 110 V HN 0.234 nan 8.190 nan 0.000 0.449 111 L N -1.438 119.825 121.223 0.066 0.000 1.994 111 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 111 L C 2.532 179.457 176.870 0.091 0.000 1.071 111 L CA 1.826 56.678 54.840 0.020 0.000 0.745 111 L CB -0.621 41.355 42.059 -0.139 0.000 0.892 111 L HN 0.406 nan 8.230 nan 0.000 0.431 112 W N 0.336 121.692 121.300 0.094 0.000 2.421 112 W HA -0.165 4.494 4.660 -0.001 0.000 0.270 112 W C 2.538 179.069 176.519 0.019 0.000 1.233 112 W CA 0.870 58.246 57.345 0.052 0.000 1.226 112 W CB -0.772 28.717 29.460 0.048 0.000 1.121 112 W HN 0.424 nan 8.180 nan 0.000 0.579 113 Q N -0.501 119.419 119.800 0.201 0.000 2.084 113 Q HA -0.198 4.141 4.340 -0.002 0.000 0.202 113 Q C 1.919 177.856 176.000 -0.105 0.000 0.978 113 Q CA 1.449 57.262 55.803 0.017 0.000 0.844 113 Q CB -0.267 28.432 28.738 -0.065 0.000 0.898 113 Q HN 0.327 nan 8.270 nan 0.000 0.426 114 H N -1.203 117.901 119.070 0.057 0.000 2.497 114 H HA 0.110 4.665 4.556 -0.002 0.000 0.282 114 H C 0.246 175.581 175.328 0.013 0.000 1.003 114 H CA 0.611 56.665 56.048 0.010 0.000 1.307 114 H CB 0.566 30.304 29.762 -0.040 0.000 1.437 114 H HN 0.131 nan 8.280 nan 0.000 0.544 115 N N 0.215 119.014 118.700 0.165 0.000 2.664 115 N HA 0.060 4.799 4.740 -0.002 0.000 0.268 115 N C -2.323 173.326 175.510 0.232 0.000 1.222 115 N CA -1.556 51.576 53.050 0.137 0.000 0.805 115 N CB 1.479 40.019 38.487 0.087 0.000 1.399 115 N HN -0.139 nan 8.380 nan 0.000 0.547 116 P HA -0.082 nan 4.420 nan 0.000 0.225 116 P C 0.486 177.754 177.300 -0.054 0.000 1.148 116 P CA 1.039 64.171 63.100 0.055 0.000 0.779 116 P CB 0.577 32.265 31.700 -0.021 0.000 0.780 117 K N -1.018 119.399 120.400 0.029 0.000 2.361 117 K HA 0.062 4.381 4.320 -0.002 0.000 0.196 117 K C 0.883 177.540 176.600 0.095 0.000 1.039 117 K CA -0.437 55.854 56.287 0.007 0.000 1.001 117 K CB -0.283 32.218 32.500 0.001 0.000 0.795 117 K HN 0.066 nan 8.250 nan 0.000 0.495 118 L N 2.107 123.461 121.223 0.218 0.000 2.615 118 L HA -0.071 4.268 4.340 -0.002 0.000 0.284 118 L C -0.480 176.587 176.870 0.328 0.000 1.237 118 L CA 0.565 55.554 54.840 0.247 0.000 0.905 118 L CB 0.527 42.738 42.059 0.253 0.000 1.149 118 L HN -0.227 nan 8.230 nan 0.000 0.499 119 V N 7.464 127.492 119.914 0.190 0.000 2.383 119 V HA 0.338 4.457 4.120 -0.002 0.000 0.275 119 V C 0.308 176.472 176.094 0.117 0.000 1.036 119 V CA -0.286 62.119 62.300 0.174 0.000 0.889 119 V CB 0.926 32.810 31.823 0.103 0.000 0.985 119 V HN 0.568 nan 8.190 nan 0.000 0.459 120 I N 4.372 125.004 120.570 0.104 0.000 2.378 120 I HA 0.698 4.866 4.170 -0.002 0.000 0.291 120 I C 0.279 176.273 176.117 -0.205 0.000 0.992 120 I CA -0.419 60.829 61.300 -0.087 0.000 1.154 120 I CB 1.737 39.641 38.000 -0.159 0.000 1.315 120 I HN 0.628 nan 8.210 nan 0.000 0.448 121 A N 6.105 128.720 122.820 -0.342 0.000 2.285 121 A HA 0.530 4.849 4.320 -0.002 0.000 0.310 121 A C -0.761 176.570 177.584 -0.421 0.000 1.266 121 A CA -0.558 51.315 52.037 -0.272 0.000 0.832 121 A CB 0.178 19.090 19.000 -0.146 0.000 1.163 121 A HN 0.683 nan 8.150 nan 0.000 0.499 122 H N 2.955 121.965 119.070 -0.100 0.000 2.594 122 H HA 0.311 4.866 4.556 -0.002 0.000 0.304 122 H C -0.977 174.306 175.328 -0.075 0.000 1.068 122 H CA -0.063 55.920 56.048 -0.108 0.000 1.308 122 H CB 1.454 31.188 29.762 -0.048 0.000 1.409 122 H HN 0.540 nan 8.280 nan 0.000 0.460 123 L N 3.579 124.801 121.223 -0.001 0.000 2.287 123 L HA 0.261 4.600 4.340 -0.002 0.000 0.287 123 L C -0.091 176.779 176.870 -0.001 0.000 1.022 123 L CA -0.241 54.588 54.840 -0.019 0.000 0.814 123 L CB 0.737 42.760 42.059 -0.061 0.000 1.217 123 L HN 0.658 nan 8.230 nan 0.000 0.420 124 S N 1.404 117.101 115.700 -0.004 0.000 2.685 124 S HA 0.517 4.986 4.470 -0.002 0.000 0.282 124 S C 0.606 175.174 174.600 -0.053 0.000 1.159 124 S CA -0.206 57.996 58.200 0.003 0.000 0.833 124 S CB 1.372 64.611 63.200 0.064 0.000 1.151 124 S HN 0.579 nan 8.310 nan 0.000 0.485 125 G N -0.094 108.663 108.800 -0.072 0.000 2.402 125 G HA2 0.079 4.038 3.960 -0.002 0.000 0.216 125 G HA3 0.079 4.038 3.960 -0.002 0.000 0.216 125 G C 0.410 175.030 174.900 -0.468 0.000 1.162 125 G CA 0.624 45.515 45.100 -0.349 0.000 0.777 125 G HN 0.611 nan 8.290 nan 0.000 0.539 126 F N 0.028 120.035 119.950 0.095 0.000 2.798 126 F HA 0.470 4.996 4.527 -0.002 0.000 0.328 126 F C 1.124 177.018 175.800 0.157 0.000 1.098 126 F CA 0.161 58.273 58.000 0.187 0.000 1.172 126 F CB 1.215 40.208 39.000 -0.012 0.000 1.072 126 F HN 0.442 nan 8.300 nan 0.000 0.555 127 G N 0.475 109.378 108.800 0.172 0.000 2.541 127 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.686 127 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.686 127 G C -0.054 174.870 174.900 0.041 0.000 1.286 127 G CA -0.709 44.414 45.100 0.038 0.000 0.894 127 G HN -0.115 nan 8.290 nan 0.000 0.575 128 Q N -1.001 118.811 119.800 0.021 0.000 2.378 128 Q HA 0.149 4.488 4.340 -0.002 0.000 0.205 128 Q C 0.703 176.807 176.000 0.173 0.000 0.954 128 Q CA 1.963 57.809 55.803 0.071 0.000 0.901 128 Q CB 0.067 28.835 28.738 0.051 0.000 0.981 128 Q HN 0.914 nan 8.270 nan 0.000 0.483 129 Y N -4.108 116.233 120.300 0.068 0.000 2.638 129 Y HA 0.675 5.224 4.550 -0.002 0.000 0.335 129 Y C 0.151 176.117 175.900 0.109 0.000 1.155 129 Y CA -0.586 57.557 58.100 0.072 0.000 1.046 129 Y CB 0.769 39.261 38.460 0.053 0.000 1.303 129 Y HN -0.048 nan 8.280 nan 0.000 0.460 130 G N 0.631 109.539 108.800 0.180 0.000 2.458 130 G HA2 0.378 4.336 3.960 -0.002 0.000 0.066 130 G HA3 0.378 4.336 3.960 -0.002 0.000 0.066 130 G C -0.800 174.195 174.900 0.158 0.000 0.986 130 G CA -0.095 45.074 45.100 0.114 0.000 1.131 130 G HN 1.294 nan 8.290 nan 0.000 0.453 131 T N -1.040 113.599 114.554 0.140 0.000 2.952 131 T HA 0.636 4.985 4.350 -0.002 0.000 0.286 131 T C 0.746 175.476 174.700 0.050 0.000 1.024 131 T CA 0.211 62.378 62.100 0.111 0.000 1.029 131 T CB 2.356 71.313 68.868 0.148 0.000 1.094 131 T HN 0.351 nan 8.240 nan 0.000 0.515 132 E N 0.495 120.699 120.200 0.008 0.000 2.153 132 E HA -0.169 4.180 4.350 -0.002 0.000 0.194 132 E C 1.773 178.299 176.600 -0.123 0.000 0.988 132 E CA 1.131 57.506 56.400 -0.040 0.000 0.811 132 E CB -0.064 29.613 29.700 -0.038 0.000 0.746 132 E HN 0.921 nan 8.360 nan 0.000 0.466 133 E N -0.301 119.786 120.200 -0.189 0.000 2.110 133 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 133 E C 1.100 177.324 176.600 -0.627 0.000 0.988 133 E CA 1.130 57.272 56.400 -0.430 0.000 0.804 133 E CB 0.092 29.457 29.700 -0.558 0.000 0.745 133 E HN 0.275 nan 8.360 nan 0.000 0.458 134 Y N -1.448 118.683 120.300 -0.280 0.000 2.535 134 Y HA 0.170 4.719 4.550 -0.002 0.000 0.264 134 Y C 2.285 177.890 175.900 -0.491 0.000 1.087 134 Y CA 0.579 58.324 58.100 -0.590 0.000 1.285 134 Y CB 0.199 38.284 38.460 -0.625 0.000 1.200 134 Y HN -0.034 nan 8.280 nan 0.000 0.514 135 T N 0.397 114.919 114.554 -0.054 0.000 2.833 135 T HA -0.117 4.232 4.350 -0.002 0.000 0.269 135 T C 1.266 175.991 174.700 0.042 0.000 1.054 135 T CA 1.454 63.580 62.100 0.042 0.000 1.135 135 T CB -0.194 68.716 68.868 0.069 0.000 0.869 135 T HN 0.295 nan 8.240 nan 0.000 0.466 136 N N 0.799 119.484 118.700 -0.024 0.000 2.214 136 N HA 0.235 4.974 4.740 -0.002 0.000 0.214 136 N C -0.176 175.331 175.510 -0.006 0.000 1.132 136 N CA -0.028 53.023 53.050 0.002 0.000 0.856 136 N CB 0.359 38.836 38.487 -0.016 0.000 1.020 136 N HN 0.387 nan 8.380 nan 0.000 0.509 137 L N 2.714 123.903 121.223 -0.057 0.000 2.426 137 L HA 0.210 4.549 4.340 -0.002 0.000 0.271 137 L C -1.736 175.221 176.870 0.145 0.000 1.169 137 L CA -1.295 53.522 54.840 -0.040 0.000 0.836 137 L CB 0.252 42.143 42.059 -0.280 0.000 1.112 137 L HN -0.141 nan 8.230 nan 0.000 0.465 138 P HA 0.220 nan 4.420 nan 0.000 0.272 138 P C -1.217 176.194 177.300 0.185 0.000 1.223 138 P CA -0.314 62.859 63.100 0.123 0.000 0.784 138 P CB 1.169 32.942 31.700 0.123 0.000 0.923 139 A N 1.947 124.785 122.820 0.030 0.000 2.520 139 A HA 0.706 5.025 4.320 -0.002 0.000 0.298 139 A C -1.712 175.730 177.584 -0.237 0.000 1.051 139 A CA -0.500 51.540 52.037 0.004 0.000 0.690 139 A CB 1.058 19.994 19.000 -0.105 0.000 1.281 139 A HN 0.452 nan 8.150 nan 0.000 0.402 140 Y N 0.171 120.477 120.300 0.010 0.000 2.633 140 Y HA 0.350 4.899 4.550 -0.002 0.000 0.339 140 Y C 1.623 177.522 175.900 -0.001 0.000 1.045 140 Y CA -0.115 57.978 58.100 -0.010 0.000 1.098 140 Y CB 1.528 39.987 38.460 -0.002 0.000 1.296 140 Y HN 0.924 nan 8.280 nan 0.000 0.494 141 N N 0.088 118.887 118.700 0.165 0.000 2.089 141 N HA -0.308 4.431 4.740 -0.002 0.000 0.198 141 N C 1.539 177.150 175.510 0.167 0.000 1.017 141 N CA 3.122 56.252 53.050 0.133 0.000 0.880 141 N CB -0.430 38.165 38.487 0.179 0.000 1.042 141 N HN 0.813 nan 8.380 nan 0.000 0.446 142 T N -2.434 112.248 114.554 0.215 0.000 2.867 142 T HA -0.039 4.310 4.350 -0.002 0.000 0.268 142 T C 1.943 176.748 174.700 0.175 0.000 1.057 142 T CA 1.120 63.338 62.100 0.196 0.000 1.136 142 T CB -0.486 68.497 68.868 0.191 0.000 0.874 142 T HN 0.167 nan 8.240 nan 0.000 0.466 143 I N 2.697 123.371 120.570 0.174 0.000 2.179 143 I HA -0.003 4.166 4.170 -0.002 0.000 0.242 143 I C 3.030 179.215 176.117 0.113 0.000 1.088 143 I CA 1.139 62.535 61.300 0.159 0.000 1.357 143 I CB -0.949 37.153 38.000 0.170 0.000 1.051 143 I HN 0.363 nan 8.210 nan 0.000 0.409 144 A N -0.575 122.276 122.820 0.051 0.000 1.972 144 A HA -0.233 4.086 4.320 -0.002 0.000 0.219 144 A C 2.256 179.922 177.584 0.136 0.000 1.169 144 A CA 1.458 53.522 52.037 0.044 0.000 0.635 144 A CB -0.564 18.430 19.000 -0.011 0.000 0.810 144 A HN 0.525 nan 8.150 nan 0.000 0.446 145 Q N -0.784 119.107 119.800 0.152 0.000 2.119 145 Q HA -0.062 4.277 4.340 -0.002 0.000 0.201 145 Q C 2.449 178.578 176.000 0.215 0.000 0.972 145 Q CA 1.201 57.128 55.803 0.208 0.000 0.847 145 Q CB -0.328 28.553 28.738 0.238 0.000 0.903 145 Q HN 0.683 nan 8.270 nan 0.000 0.433 146 A N 0.337 123.278 122.820 0.201 0.000 1.898 146 A HA -0.160 4.159 4.320 -0.002 0.000 0.216 146 A C 1.712 179.426 177.584 0.216 0.000 1.181 146 A CA 1.004 53.157 52.037 0.192 0.000 0.620 146 A CB -0.552 18.567 19.000 0.199 0.000 0.819 146 A HN 0.395 nan 8.150 nan 0.000 0.442 147 F N 1.035 121.027 119.950 0.070 0.000 2.710 147 F HA 0.029 4.555 4.527 -0.002 0.000 0.298 147 F C 2.167 177.983 175.800 0.027 0.000 1.137 147 F CA 1.234 59.247 58.000 0.021 0.000 1.444 147 F CB 0.218 39.206 39.000 -0.019 0.000 1.111 147 F HN 0.267 nan 8.300 nan 0.000 0.580 148 S N -1.454 114.340 115.700 0.157 0.000 2.540 148 S HA 0.344 4.813 4.470 -0.002 0.000 0.218 148 S C 1.644 176.315 174.600 0.117 0.000 0.977 148 S CA 0.240 58.534 58.200 0.157 0.000 0.918 148 S CB 0.025 63.354 63.200 0.215 0.000 0.806 148 S HN 0.549 nan 8.310 nan 0.000 0.496 149 G N 0.668 109.516 108.800 0.080 0.000 2.155 149 G HA2 -0.393 3.566 3.960 -0.002 0.000 0.257 149 G HA3 -0.393 3.566 3.960 -0.002 0.000 0.257 149 G C 0.279 175.240 174.900 0.103 0.000 0.983 149 G CA 0.569 45.700 45.100 0.052 0.000 0.676 149 G HN 0.557 nan 8.290 nan 0.000 0.528 150 Y N -0.031 120.291 120.300 0.036 0.000 2.184 150 Y HA 0.269 4.818 4.550 -0.002 0.000 0.290 150 Y C 2.709 178.634 175.900 0.041 0.000 1.129 150 Y CA 2.021 60.147 58.100 0.042 0.000 1.144 150 Y CB -0.255 38.242 38.460 0.062 0.000 0.995 150 Y HN 0.306 nan 8.280 nan 0.000 0.513 151 L N -0.674 120.661 121.223 0.187 0.000 2.017 151 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 151 L C 2.224 179.101 176.870 0.011 0.000 1.073 151 L CA 1.475 56.381 54.840 0.110 0.000 0.745 151 L CB -0.478 41.657 42.059 0.127 0.000 0.894 151 L HN 0.282 nan 8.230 nan 0.000 0.432 152 I N -0.174 120.394 120.570 -0.002 0.000 2.530 152 I HA -0.320 3.848 4.170 -0.002 0.000 0.257 152 I C 2.237 178.301 176.117 -0.089 0.000 1.179 152 I CA 1.549 62.823 61.300 -0.043 0.000 1.440 152 I CB -0.198 37.773 38.000 -0.049 0.000 1.087 152 I HN 0.410 nan 8.210 nan 0.000 0.440 153 Q N -0.445 119.281 119.800 -0.124 0.000 2.398 153 Q HA 0.087 4.426 4.340 -0.002 0.000 0.204 153 Q C 0.329 176.220 176.000 -0.183 0.000 0.932 153 Q CA 0.100 55.799 55.803 -0.173 0.000 0.916 153 Q CB 0.113 28.720 28.738 -0.219 0.000 1.024 153 Q HN 0.511 nan 8.270 nan 0.000 0.504 154 N N 0.257 118.862 118.700 -0.158 0.000 2.489 154 N HA 0.409 5.148 4.740 -0.002 0.000 0.284 154 N C 0.196 175.657 175.510 -0.081 0.000 1.158 154 N CA 0.750 53.728 53.050 -0.119 0.000 0.965 154 N CB 1.681 40.120 38.487 -0.080 0.000 1.195 154 N HN 0.206 nan 8.380 nan 0.000 0.506 155 G N 0.741 109.496 108.800 -0.075 0.000 2.610 155 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.304 155 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.304 155 G C -1.100 173.749 174.900 -0.085 0.000 1.309 155 G CA -0.686 44.371 45.100 -0.071 0.000 0.906 155 G HN 0.574 nan 8.290 nan 0.000 0.521 156 D N -1.054 119.300 120.400 -0.077 0.000 2.340 156 D HA 0.447 5.086 4.640 -0.002 0.000 0.251 156 D C 2.186 178.437 176.300 -0.081 0.000 1.080 156 D CA 0.091 54.042 54.000 -0.080 0.000 0.971 156 D CB 1.726 42.486 40.800 -0.068 0.000 1.137 156 D HN 0.318 nan 8.370 nan 0.000 0.475 157 V N 1.763 121.627 119.914 -0.084 0.000 2.252 157 V HA -0.286 3.833 4.120 -0.002 0.000 0.255 157 V C 1.589 177.644 176.094 -0.066 0.000 1.071 157 V CA 2.019 64.270 62.300 -0.081 0.000 1.050 157 V CB -0.363 31.417 31.823 -0.072 0.000 0.654 157 V HN 0.598 nan 8.190 nan 0.000 0.448 158 D N -1.242 119.124 120.400 -0.055 0.000 2.340 158 D HA 0.120 4.759 4.640 -0.002 0.000 0.220 158 D C 0.847 177.121 176.300 -0.042 0.000 1.039 158 D CA 0.426 54.399 54.000 -0.045 0.000 0.866 158 D CB 0.436 41.213 40.800 -0.038 0.000 0.913 158 D HN 0.464 nan 8.370 nan 0.000 0.523 159 Q N 0.682 120.454 119.800 -0.048 0.000 2.526 159 Q HA 0.245 4.584 4.340 -0.002 0.000 0.238 159 Q C -2.837 173.135 176.000 -0.047 0.000 0.866 159 Q CA -1.698 54.079 55.803 -0.043 0.000 0.801 159 Q CB 2.368 31.081 28.738 -0.042 0.000 1.380 159 Q HN -0.144 nan 8.270 nan 0.000 0.446 160 P HA 0.338 nan 4.420 nan 0.000 0.274 160 P C -0.664 176.621 177.300 -0.025 0.000 1.231 160 P CA -0.204 62.873 63.100 -0.037 0.000 0.790 160 P CB 0.739 32.421 31.700 -0.030 0.000 0.951 161 M N -0.773 118.817 119.600 -0.017 0.000 2.603 161 M HA 0.577 5.056 4.480 -0.002 0.000 0.275 161 M C -3.295 173.025 176.300 0.033 0.000 1.226 161 M CA -2.619 52.679 55.300 -0.003 0.000 0.870 161 M CB 1.801 34.382 32.600 -0.032 0.000 1.716 161 M HN -0.101 nan 8.290 nan 0.000 0.482 162 P HA 0.276 nan 4.420 nan 0.000 0.271 162 P C -0.677 176.716 177.300 0.156 0.000 1.218 162 P CA -0.042 63.142 63.100 0.140 0.000 0.780 162 P CB 0.541 32.342 31.700 0.169 0.000 0.901 163 A N 2.918 125.870 122.820 0.220 0.000 2.462 163 A HA 0.411 4.730 4.320 -0.002 0.000 0.243 163 A C -0.601 177.119 177.584 0.225 0.000 1.076 163 A CA 0.358 52.532 52.037 0.228 0.000 0.773 163 A CB -0.661 18.552 19.000 0.355 0.000 1.010 163 A HN 0.545 nan 8.150 nan 0.000 0.493 164 F N 2.688 122.619 119.950 -0.033 0.000 2.588 164 F HA 0.645 5.171 4.527 -0.002 0.000 0.310 164 F C -2.156 173.553 175.800 -0.153 0.000 1.082 164 F CA -1.944 55.970 58.000 -0.143 0.000 0.929 164 F CB 2.231 41.133 39.000 -0.162 0.000 1.254 164 F HN 0.456 nan 8.300 nan 0.000 0.455 165 P HA 0.277 nan 4.420 nan 0.000 0.286 165 P C -1.468 175.381 177.300 -0.752 0.000 1.321 165 P CA 0.025 62.077 63.100 -1.747 0.000 0.790 165 P CB 0.060 30.948 31.700 -1.353 0.000 0.897 166 Y N 0.310 120.425 120.300 -0.308 0.000 3.589 166 Y HA -0.278 4.271 4.550 -0.002 0.000 0.218 166 Y C 1.738 177.623 175.900 -0.024 0.000 1.234 166 Y CA 0.951 58.989 58.100 -0.104 0.000 1.576 166 Y CB -3.212 35.158 38.460 -0.150 0.000 1.487 166 Y HN 0.307 nan 8.280 nan 0.000 0.616 167 T N -0.995 113.605 114.554 0.077 0.000 2.685 167 T HA -0.297 4.052 4.350 -0.002 0.000 0.268 167 T C 2.072 176.808 174.700 0.061 0.000 1.034 167 T CA 2.028 64.159 62.100 0.051 0.000 1.149 167 T CB -0.293 68.634 68.868 0.098 0.000 0.860 167 T HN 0.724 nan 8.240 nan 0.000 0.449 168 A N 0.992 123.865 122.820 0.089 0.000 2.015 168 A HA 0.301 4.620 4.320 -0.002 0.000 0.219 168 A C 2.601 180.188 177.584 0.006 0.000 1.163 168 A CA 1.561 53.644 52.037 0.078 0.000 0.646 168 A CB -0.853 18.165 19.000 0.031 0.000 0.806 168 A HN 0.524 nan 8.150 nan 0.000 0.448 169 A N -1.112 121.651 122.820 -0.096 0.000 1.898 169 A HA -0.019 4.300 4.320 -0.002 0.000 0.216 169 A C 2.030 179.367 177.584 -0.413 0.000 1.181 169 A CA 1.424 53.297 52.037 -0.272 0.000 0.620 169 A CB -0.730 18.033 19.000 -0.396 0.000 0.819 169 A HN 0.555 nan 8.150 nan 0.000 0.442 170 Y N -1.585 118.533 120.300 -0.303 0.000 2.200 170 Y HA -0.119 4.430 4.550 -0.002 0.000 0.290 170 Y C 2.145 177.904 175.900 -0.235 0.000 1.137 170 Y CA 1.324 59.104 58.100 -0.534 0.000 1.163 170 Y CB -0.707 37.307 38.460 -0.744 0.000 0.988 170 Y HN 0.307 nan 8.280 nan 0.000 0.518 171 F N -0.185 119.762 119.950 -0.005 0.000 2.134 171 F HA -0.234 4.292 4.527 -0.002 0.000 0.299 171 F C 2.521 178.314 175.800 -0.012 0.000 1.097 171 F CA 1.628 59.621 58.000 -0.011 0.000 1.264 171 F CB -0.968 37.983 39.000 -0.081 0.000 1.001 171 F HN -0.110 nan 8.300 nan 0.000 0.479 172 S N -0.348 115.437 115.700 0.143 0.000 2.368 172 S HA -0.101 4.368 4.470 -0.002 0.000 0.224 172 S C 2.463 177.094 174.600 0.053 0.000 1.029 172 S CA 1.152 59.382 58.200 0.051 0.000 0.988 172 S CB -1.108 62.079 63.200 -0.021 0.000 0.838 172 S HN 0.474 nan 8.310 nan 0.000 0.462 173 G N 1.588 110.433 108.800 0.074 0.000 2.408 173 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.217 173 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.217 173 G C 1.362 176.359 174.900 0.161 0.000 1.150 173 G CA 0.556 45.735 45.100 0.132 0.000 0.776 173 G HN 0.361 nan 8.290 nan 0.000 0.542 174 L N 1.175 122.557 121.223 0.264 0.000 2.046 174 L HA 0.006 4.345 4.340 -0.002 0.000 0.208 174 L C 2.979 179.909 176.870 0.099 0.000 1.077 174 L CA 2.298 57.251 54.840 0.188 0.000 0.747 174 L CB -1.074 41.149 42.059 0.274 0.000 0.896 174 L HN 0.189 nan 8.230 nan 0.000 0.432 175 T N -0.155 114.468 114.554 0.115 0.000 2.720 175 T HA -0.216 4.133 4.350 -0.002 0.000 0.268 175 T C 1.919 176.647 174.700 0.047 0.000 1.037 175 T CA 1.428 63.573 62.100 0.074 0.000 1.144 175 T CB -0.565 68.337 68.868 0.056 0.000 0.864 175 T HN 0.505 nan 8.240 nan 0.000 0.444 176 A N 1.459 124.301 122.820 0.037 0.000 1.883 176 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 176 A C 2.578 180.197 177.584 0.059 0.000 1.186 176 A CA 2.266 54.321 52.037 0.029 0.000 0.624 176 A CB -1.358 17.643 19.000 0.001 0.000 0.822 176 A HN 0.501 nan 8.150 nan 0.000 0.444 177 T N -0.095 114.467 114.554 0.013 0.000 2.708 177 T HA -0.130 4.219 4.350 -0.002 0.000 0.266 177 T C 2.018 176.710 174.700 -0.014 0.000 1.037 177 T CA 1.986 64.045 62.100 -0.068 0.000 1.146 177 T CB -0.650 67.987 68.868 -0.386 0.000 0.865 177 T HN 0.602 nan 8.240 nan 0.000 0.435 178 T N 2.194 116.754 114.554 0.010 0.000 2.674 178 T HA -0.005 4.344 4.350 -0.002 0.000 0.265 178 T C 2.465 177.211 174.700 0.075 0.000 1.039 178 T CA 1.181 63.310 62.100 0.048 0.000 1.150 178 T CB -0.670 68.233 68.868 0.058 0.000 0.864 178 T HN 0.427 nan 8.240 nan 0.000 0.427 179 A N 1.498 124.362 122.820 0.073 0.000 1.933 179 A HA 0.153 4.472 4.320 -0.002 0.000 0.218 179 A C 2.637 180.286 177.584 0.107 0.000 1.175 179 A CA 1.833 53.918 52.037 0.080 0.000 0.628 179 A CB -1.093 17.946 19.000 0.064 0.000 0.814 179 A HN 0.518 nan 8.150 nan 0.000 0.444 180 A N -0.631 122.271 122.820 0.137 0.000 1.902 180 A HA -0.003 4.316 4.320 -0.002 0.000 0.217 180 A C 1.964 179.672 177.584 0.207 0.000 1.181 180 A CA 1.616 53.760 52.037 0.178 0.000 0.623 180 A CB -0.438 18.718 19.000 0.261 0.000 0.818 180 A HN 0.379 nan 8.150 nan 0.000 0.443 181 L N -0.587 120.772 121.223 0.227 0.000 2.093 181 L HA -0.061 4.278 4.340 -0.002 0.000 0.208 181 L C 2.938 179.904 176.870 0.160 0.000 1.085 181 L CA 1.740 56.704 54.840 0.207 0.000 0.755 181 L CB -1.595 40.566 42.059 0.170 0.000 0.904 181 L HN 0.432 nan 8.230 nan 0.000 0.435 182 A N -0.414 122.483 122.820 0.129 0.000 1.877 182 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 182 A C 2.503 180.179 177.584 0.153 0.000 1.186 182 A CA 1.769 53.877 52.037 0.118 0.000 0.620 182 A CB -0.697 18.354 19.000 0.085 0.000 0.822 182 A HN 0.372 nan 8.150 nan 0.000 0.443 183 A N -0.602 122.297 122.820 0.132 0.000 1.930 183 A HA -0.014 4.305 4.320 -0.002 0.000 0.217 183 A C 2.121 179.773 177.584 0.113 0.000 1.175 183 A CA 1.645 53.753 52.037 0.118 0.000 0.627 183 A CB -0.621 18.447 19.000 0.114 0.000 0.815 183 A HN 0.679 nan 8.150 nan 0.000 0.443 184 L N -0.636 120.665 121.223 0.130 0.000 2.042 184 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 184 L C 2.347 179.286 176.870 0.115 0.000 1.076 184 L CA 2.873 57.782 54.840 0.115 0.000 0.749 184 L CB -0.784 41.358 42.059 0.138 0.000 0.893 184 L HN 0.644 nan 8.230 nan 0.000 0.432 185 H N -0.634 118.467 119.070 0.051 0.000 2.352 185 H HA -0.218 4.337 4.556 -0.002 0.000 0.299 185 H C 2.228 177.570 175.328 0.023 0.000 1.097 185 H CA 2.238 58.308 56.048 0.036 0.000 1.311 185 H CB 0.042 29.827 29.762 0.038 0.000 1.377 185 H HN 0.262 nan 8.280 nan 0.000 0.504 186 K N -0.161 120.242 120.400 0.005 0.000 2.097 186 K HA -0.051 4.267 4.320 -0.002 0.000 0.205 186 K C 2.087 178.636 176.600 -0.086 0.000 1.050 186 K CA 1.279 57.530 56.287 -0.060 0.000 0.938 186 K CB -0.392 32.122 32.500 0.023 0.000 0.718 186 K HN 0.237 nan 8.250 nan 0.000 0.442 187 V N 0.627 120.514 119.914 -0.046 0.000 2.358 187 V HA -0.218 3.901 4.120 -0.002 0.000 0.246 187 V C 2.718 178.769 176.094 -0.072 0.000 1.047 187 V CA 2.403 64.674 62.300 -0.049 0.000 1.035 187 V CB -0.962 30.852 31.823 -0.014 0.000 0.658 187 V HN 0.511 nan 8.190 nan 0.000 0.452 188 R N -0.035 120.413 120.500 -0.086 0.000 2.316 188 R HA 0.070 4.409 4.340 -0.002 0.000 0.202 188 R C 1.809 178.023 176.300 -0.143 0.000 1.029 188 R CA 1.692 57.733 56.100 -0.097 0.000 1.018 188 R CB -1.357 28.898 30.300 -0.074 0.000 0.888 188 R HN 0.774 nan 8.270 nan 0.000 0.471 189 E N -1.124 118.964 120.200 -0.186 0.000 2.485 189 E HA 0.029 4.378 4.350 -0.002 0.000 0.213 189 E C 1.724 178.258 176.600 -0.111 0.000 0.923 189 E CA 0.957 57.250 56.400 -0.178 0.000 1.054 189 E CB 0.252 29.782 29.700 -0.283 0.000 1.077 189 E HN 0.699 nan 8.360 nan 0.000 0.509 190 T N -5.807 108.689 114.554 -0.097 0.000 2.969 190 T HA 0.431 4.780 4.350 -0.002 0.000 0.258 190 T C 1.941 176.596 174.700 -0.075 0.000 0.962 190 T CA 1.180 63.234 62.100 -0.077 0.000 0.903 190 T CB 0.699 69.524 68.868 -0.071 0.000 1.177 190 T HN 1.462 nan 8.240 nan 0.000 0.511 191 G N 0.949 109.703 108.800 -0.077 0.000 2.157 191 G HA2 0.138 4.096 3.960 -0.002 0.000 0.248 191 G HA3 0.138 4.096 3.960 -0.002 0.000 0.248 191 G C 0.106 174.950 174.900 -0.092 0.000 0.979 191 G CA 0.460 45.516 45.100 -0.073 0.000 0.650 191 G HN 1.133 nan 8.290 nan 0.000 0.529 192 K N 0.188 120.519 120.400 -0.115 0.000 2.316 192 K HA 0.912 5.231 4.320 -0.002 0.000 0.251 192 K C 0.843 177.323 176.600 -0.201 0.000 0.934 192 K CA 0.448 56.625 56.287 -0.182 0.000 0.802 192 K CB 1.335 33.714 32.500 -0.202 0.000 1.171 192 K HN 1.624 nan 8.250 nan 0.000 0.426 193 G N 0.134 108.742 108.800 -0.320 0.000 2.683 193 G HA2 0.452 4.410 3.960 -0.002 0.000 0.260 193 G HA3 0.452 4.410 3.960 -0.002 0.000 0.260 193 G C -0.323 174.482 174.900 -0.159 0.000 1.238 193 G CA 0.270 45.241 45.100 -0.214 0.000 0.934 193 G HN 0.817 nan 8.290 nan 0.000 0.534 194 E N -1.708 118.609 120.200 0.195 0.000 2.366 194 E HA 0.536 4.885 4.350 -0.002 0.000 0.278 194 E C -1.125 175.791 176.600 0.526 0.000 0.923 194 E CA -0.644 55.931 56.400 0.291 0.000 0.761 194 E CB 2.020 31.816 29.700 0.160 0.000 1.231 194 E HN 0.447 nan 8.360 nan 0.000 0.443 195 S N 3.527 119.531 115.700 0.506 0.000 2.473 195 S HA 0.717 5.186 4.470 -0.002 0.000 0.307 195 S C -0.930 173.824 174.600 0.258 0.000 1.094 195 S CA -0.640 57.778 58.200 0.363 0.000 1.070 195 S CB 0.243 63.674 63.200 0.385 0.000 1.019 195 S HN 0.445 nan 8.310 nan 0.000 0.480 196 I N 3.511 124.201 120.570 0.199 0.000 2.436 196 I HA 0.382 4.551 4.170 -0.002 0.000 0.289 196 I C -0.962 175.267 176.117 0.186 0.000 1.010 196 I CA -0.788 60.605 61.300 0.156 0.000 1.098 196 I CB 1.981 40.035 38.000 0.090 0.000 1.266 196 I HN 0.501 nan 8.210 nan 0.000 0.434 197 D N 8.190 128.685 120.400 0.159 0.000 2.454 197 D HA 0.357 4.996 4.640 -0.002 0.000 0.225 197 D C -0.704 175.632 176.300 0.060 0.000 1.081 197 D CA -0.316 53.767 54.000 0.138 0.000 0.864 197 D CB 0.839 41.726 40.800 0.145 0.000 1.040 197 D HN 0.282 nan 8.370 nan 0.000 0.517 198 I N 2.761 123.355 120.570 0.039 0.000 2.330 198 I HA 0.421 4.590 4.170 -0.002 0.000 0.286 198 I C 0.250 176.334 176.117 -0.054 0.000 1.025 198 I CA -0.980 60.310 61.300 -0.017 0.000 1.197 198 I CB 0.997 38.990 38.000 -0.013 0.000 1.358 198 I HN 0.327 nan 8.210 nan 0.000 0.467 199 A N 6.722 129.466 122.820 -0.126 0.000 2.276 199 A HA 0.494 4.813 4.320 -0.002 0.000 0.300 199 A C 1.230 178.679 177.584 -0.225 0.000 1.235 199 A CA -0.558 51.372 52.037 -0.179 0.000 0.867 199 A CB 0.846 19.671 19.000 -0.292 0.000 1.137 199 A HN 0.849 nan 8.150 nan 0.000 0.527 200 M N 1.640 121.146 119.600 -0.156 0.000 2.108 200 M HA -0.249 4.230 4.480 -0.002 0.000 0.257 200 M C 1.902 178.136 176.300 -0.110 0.000 1.071 200 M CA 2.451 57.674 55.300 -0.128 0.000 1.093 200 M CB -0.749 31.776 32.600 -0.126 0.000 1.345 200 M HN 1.064 nan 8.290 nan 0.000 0.403 201 Y N 0.203 120.422 120.300 -0.136 0.000 2.352 201 Y HA -0.058 4.491 4.550 -0.002 0.000 0.292 201 Y C 1.724 177.619 175.900 -0.009 0.000 1.136 201 Y CA 1.167 59.248 58.100 -0.031 0.000 1.227 201 Y CB -0.856 37.679 38.460 0.124 0.000 0.991 201 Y HN 0.247 nan 8.280 nan 0.000 0.545 202 E N 0.515 120.274 120.200 -0.735 0.000 2.112 202 E HA -0.089 4.260 4.350 -0.002 0.000 0.190 202 E C 2.251 178.705 176.600 -0.242 0.000 0.979 202 E CA 1.129 57.210 56.400 -0.533 0.000 0.814 202 E CB -0.072 29.275 29.700 -0.588 0.000 0.762 202 E HN 0.389 nan 8.360 nan 0.000 0.460 203 V N 1.315 121.103 119.914 -0.210 0.000 2.255 203 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 203 V C 2.257 178.227 176.094 -0.206 0.000 1.051 203 V CA 1.518 63.721 62.300 -0.162 0.000 1.018 203 V CB -0.318 31.439 31.823 -0.110 0.000 0.641 203 V HN 0.357 nan 8.190 nan 0.000 0.445 204 M N -0.910 118.579 119.600 -0.185 0.000 2.319 204 M HA -0.035 4.444 4.480 -0.002 0.000 0.265 204 M C 2.115 178.376 176.300 -0.066 0.000 1.068 204 M CA 1.308 56.468 55.300 -0.233 0.000 1.118 204 M CB -1.397 31.096 32.600 -0.178 0.000 1.395 204 M HN 0.375 nan 8.290 nan 0.000 0.435 205 L N 0.627 121.855 121.223 0.008 0.000 2.042 205 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 205 L C 2.635 179.539 176.870 0.056 0.000 1.076 205 L CA 1.933 56.824 54.840 0.085 0.000 0.749 205 L CB -0.599 41.522 42.059 0.104 0.000 0.893 205 L HN 0.149 nan 8.230 nan 0.000 0.432 206 R N -0.806 119.678 120.500 -0.027 0.000 2.081 206 R HA -0.113 4.226 4.340 -0.002 0.000 0.235 206 R C 1.932 178.200 176.300 -0.052 0.000 1.131 206 R CA 1.802 57.881 56.100 -0.035 0.000 0.960 206 R CB -0.452 29.803 30.300 -0.075 0.000 0.856 206 R HN 0.310 nan 8.270 nan 0.000 0.436 207 M N -0.709 118.795 119.600 -0.159 0.000 2.476 207 M HA 0.161 4.640 4.480 -0.002 0.000 0.262 207 M C 1.321 177.686 176.300 0.108 0.000 1.079 207 M CA 1.165 56.339 55.300 -0.211 0.000 1.104 207 M CB -0.739 31.403 32.600 -0.765 0.000 1.409 207 M HN 0.316 nan 8.290 nan 0.000 0.467 208 G N -0.975 107.942 108.800 0.195 0.000 3.605 208 G HA2 0.072 4.031 3.960 -0.002 0.000 0.277 208 G HA3 0.072 4.031 3.960 -0.002 0.000 0.277 208 G C 1.085 176.071 174.900 0.143 0.000 1.093 208 G CA -0.093 45.147 45.100 0.232 0.000 0.821 208 G HN 0.232 nan 8.290 nan 0.000 0.532 209 Q N -0.387 119.487 119.800 0.124 0.000 2.432 209 Q HA 0.046 4.385 4.340 -0.002 0.000 0.205 209 Q C 1.525 177.559 176.000 0.057 0.000 0.945 209 Q CA -0.126 55.743 55.803 0.109 0.000 0.924 209 Q CB -0.094 28.708 28.738 0.107 0.000 1.016 209 Q HN 0.653 nan 8.270 nan 0.000 0.503 210 Y N 0.156 120.391 120.300 -0.107 0.000 2.102 210 Y HA -0.294 4.255 4.550 -0.002 0.000 0.280 210 Y C 1.299 176.935 175.900 -0.440 0.000 1.178 210 Y CA 1.971 59.879 58.100 -0.321 0.000 1.146 210 Y CB -0.151 38.021 38.460 -0.480 0.000 0.968 210 Y HN 0.067 nan 8.280 nan 0.000 0.504 211 F N -2.727 117.366 119.950 0.239 0.000 2.694 211 F HA 0.085 4.611 4.527 -0.002 0.000 0.292 211 F C 2.256 178.079 175.800 0.038 0.000 1.121 211 F CA 0.108 58.198 58.000 0.149 0.000 1.352 211 F CB -0.252 38.800 39.000 0.087 0.000 1.107 211 F HN -0.073 nan 8.300 nan 0.000 0.597 212 M N -0.008 119.660 119.600 0.115 0.000 2.279 212 M HA -0.180 4.299 4.480 -0.002 0.000 0.264 212 M C 2.038 178.234 176.300 -0.173 0.000 1.062 212 M CA 1.244 56.484 55.300 -0.100 0.000 1.099 212 M CB -0.048 32.458 32.600 -0.157 0.000 1.394 212 M HN 0.127 nan 8.290 nan 0.000 0.426 213 M N 0.113 119.729 119.600 0.028 0.000 2.267 213 M HA -0.218 4.261 4.480 -0.002 0.000 0.263 213 M C 1.167 177.525 176.300 0.096 0.000 1.063 213 M CA 1.481 56.853 55.300 0.120 0.000 1.090 213 M CB -1.212 31.436 32.600 0.081 0.000 1.392 213 M HN 0.231 nan 8.290 nan 0.000 0.422 214 D N -0.779 119.680 120.400 0.098 0.000 2.097 214 D HA -0.186 4.453 4.640 -0.002 0.000 0.197 214 D C 1.790 178.137 176.300 0.078 0.000 0.984 214 D CA 1.143 55.214 54.000 0.118 0.000 0.826 214 D CB -0.517 40.408 40.800 0.208 0.000 0.973 214 D HN 0.391 nan 8.370 nan 0.000 0.460 215 Y N 0.695 120.943 120.300 -0.088 0.000 2.145 215 Y HA -0.243 4.306 4.550 -0.002 0.000 0.286 215 Y C 1.929 177.798 175.900 -0.051 0.000 1.145 215 Y CA 1.414 59.433 58.100 -0.135 0.000 1.148 215 Y CB -0.453 37.834 38.460 -0.289 0.000 0.981 215 Y HN -0.165 nan 8.280 nan 0.000 0.507 216 F N 0.192 120.171 119.950 0.049 0.000 2.408 216 F HA -0.101 4.425 4.527 -0.002 0.000 0.300 216 F C 0.826 176.573 175.800 -0.089 0.000 1.090 216 F CA 0.920 58.901 58.000 -0.032 0.000 1.427 216 F CB -0.471 38.565 39.000 0.060 0.000 1.070 216 F HN 0.143 nan 8.300 nan 0.000 0.549 217 N N -0.540 118.208 118.700 0.080 0.000 2.679 217 N HA 0.295 5.034 4.740 -0.002 0.000 0.302 217 N C 1.187 176.691 175.510 -0.010 0.000 1.941 217 N CA 0.734 53.806 53.050 0.038 0.000 0.875 217 N CB 1.098 39.624 38.487 0.065 0.000 1.278 217 N HN 0.281 nan 8.380 nan 0.000 0.490 218 G N -0.186 108.575 108.800 -0.065 0.000 2.317 218 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.227 218 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.227 218 G C 0.592 175.458 174.900 -0.058 0.000 1.042 218 G CA -0.036 45.027 45.100 -0.062 0.000 0.623 218 G HN 0.602 nan 8.290 nan 0.000 0.509 219 G N 0.000 108.783 108.800 -0.029 0.000 2.489 219 G HA2 0.528 4.487 3.960 -0.002 0.000 0.271 219 G HA3 0.528 4.487 3.960 -0.002 0.000 0.271 219 G C -0.081 174.855 174.900 0.061 0.000 1.427 219 G CA 0.659 45.774 45.100 0.025 0.000 1.057 219 G HN 0.749 nan 8.290 nan 0.000 0.532 220 E N -1.760 118.515 120.200 0.125 0.000 2.281 220 E HA 0.530 4.879 4.350 -0.002 0.000 0.262 220 E C -0.357 176.364 176.600 0.203 0.000 0.933 220 E CA -0.943 55.564 56.400 0.178 0.000 0.809 220 E CB 1.520 31.291 29.700 0.119 0.000 1.242 220 E HN 0.284 nan 8.360 nan 0.000 0.418 221 M N 2.954 122.645 119.600 0.151 0.000 2.233 221 M HA 0.224 4.703 4.480 -0.002 0.000 0.350 221 M C -0.613 175.683 176.300 -0.006 0.000 1.176 221 M CA -0.681 54.642 55.300 0.037 0.000 1.150 221 M CB 0.141 32.672 32.600 -0.115 0.000 1.530 221 M HN 0.715 nan 8.290 nan 0.000 0.459 222 C N 5.743 124.972 119.300 -0.118 0.000 2.700 222 C HA 0.707 5.166 4.460 -0.002 0.000 0.397 222 C C -1.849 172.938 174.990 -0.339 0.000 1.301 222 C CA -1.208 57.555 59.018 -0.426 0.000 2.219 222 C CB -0.542 26.467 27.740 -1.218 0.000 2.699 222 C HN 0.781 nan 8.230 nan 0.000 0.669 223 P HA 0.312 nan 4.420 nan 0.000 0.279 223 P C -0.475 176.649 177.300 -0.292 0.000 1.282 223 P CA -0.334 62.619 63.100 -0.245 0.000 0.788 223 P CB 0.490 32.081 31.700 -0.182 0.000 1.139 224 R N -0.419 119.956 120.500 -0.208 0.000 2.637 224 R HA 0.323 4.662 4.340 -0.002 0.000 0.269 224 R C 0.856 177.037 176.300 -0.197 0.000 1.089 224 R CA -0.522 55.462 56.100 -0.195 0.000 1.177 224 R CB 0.034 30.249 30.300 -0.142 0.000 1.091 224 R HN 0.487 nan 8.270 nan 0.000 0.540 225 M N 0.544 120.034 119.600 -0.183 0.000 2.252 225 M HA -0.046 4.433 4.480 -0.002 0.000 0.321 225 M C 0.502 176.723 176.300 -0.133 0.000 1.070 225 M CA 0.939 56.141 55.300 -0.163 0.000 1.143 225 M CB 0.538 33.053 32.600 -0.142 0.000 1.498 225 M HN 0.397 nan 8.290 nan 0.000 0.445 226 S N 1.563 117.188 115.700 -0.124 0.000 2.456 226 S HA 0.301 4.770 4.470 -0.002 0.000 0.316 226 S C -0.197 174.337 174.600 -0.110 0.000 1.089 226 S CA -0.644 57.494 58.200 -0.103 0.000 1.101 226 S CB 0.275 63.423 63.200 -0.087 0.000 0.995 226 S HN 0.690 nan 8.310 nan 0.000 0.468 227 K N 3.389 123.730 120.400 -0.099 0.000 3.035 227 K HA -0.217 4.102 4.320 -0.002 0.000 0.262 227 K C 0.825 177.336 176.600 -0.148 0.000 1.024 227 K CA 0.677 56.902 56.287 -0.103 0.000 0.748 227 K CB -1.967 30.487 32.500 -0.077 0.000 1.247 227 K HN 1.342 nan 8.250 nan 0.000 0.482 228 G N -0.174 108.538 108.800 -0.145 0.000 2.143 228 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.249 228 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.249 228 G C -0.098 174.711 174.900 -0.152 0.000 0.981 228 G CA 0.660 45.668 45.100 -0.153 0.000 0.665 228 G HN 0.343 nan 8.290 nan 0.000 0.528 229 K N 0.715 121.015 120.400 -0.166 0.000 2.143 229 K HA 0.301 4.620 4.320 -0.002 0.000 0.272 229 K C 0.023 176.559 176.600 -0.107 0.000 1.001 229 K CA -0.753 55.440 56.287 -0.157 0.000 0.915 229 K CB 1.019 33.394 32.500 -0.207 0.000 1.047 229 K HN 0.230 nan 8.250 nan 0.000 0.458 230 D N 3.516 123.887 120.400 -0.048 0.000 2.525 230 D HA -0.037 4.602 4.640 -0.002 0.000 0.235 230 D C -1.419 174.781 176.300 -0.167 0.000 1.137 230 D CA -1.074 52.889 54.000 -0.060 0.000 0.868 230 D CB 1.041 41.877 40.800 0.060 0.000 1.180 230 D HN 0.248 nan 8.370 nan 0.000 0.465 231 P HA -0.123 nan 4.420 nan 0.000 0.226 231 P C 0.459 177.495 177.300 -0.438 0.000 1.153 231 P CA 1.022 63.852 63.100 -0.450 0.000 0.777 231 P CB 0.201 31.469 31.700 -0.720 0.000 0.794 232 Y N -2.597 117.331 120.300 -0.620 0.000 2.585 232 Y HA 0.228 4.777 4.550 -0.002 0.000 0.272 232 Y C 0.606 175.930 175.900 -0.959 0.000 1.119 232 Y CA -0.835 56.648 58.100 -1.028 0.000 1.255 232 Y CB -0.210 37.338 38.460 -1.519 0.000 1.284 232 Y HN -0.205 nan 8.280 nan 0.000 0.499 233 Y N 0.589 120.887 120.300 -0.004 0.000 2.334 233 Y HA 0.659 5.208 4.550 -0.002 0.000 0.336 233 Y C 0.430 176.373 175.900 0.071 0.000 0.960 233 Y CA -2.066 56.052 58.100 0.030 0.000 1.164 233 Y CB 0.648 39.159 38.460 0.086 0.000 1.155 233 Y HN -0.039 nan 8.280 nan 0.000 0.478 234 A N 1.943 124.905 122.820 0.237 0.000 2.498 234 A HA 0.448 4.767 4.320 -0.002 0.000 0.239 234 A C 1.366 179.091 177.584 0.236 0.000 1.068 234 A CA 0.681 52.850 52.037 0.221 0.000 0.766 234 A CB -0.629 18.494 19.000 0.206 0.000 1.003 234 A HN 1.606 nan 8.150 nan 0.000 0.497 235 G N 0.072 109.046 108.800 0.291 0.000 2.143 235 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.249 235 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.249 235 G C 0.104 175.120 174.900 0.193 0.000 0.981 235 G CA 0.210 45.408 45.100 0.164 0.000 0.665 235 G HN 1.274 nan 8.290 nan 0.000 0.528 236 C N 0.093 119.588 119.300 0.325 0.000 2.408 236 C HA 0.954 5.413 4.460 -0.002 0.000 0.321 236 C C 1.092 176.255 174.990 0.288 0.000 1.245 236 C CA 0.383 59.559 59.018 0.263 0.000 1.523 236 C CB 0.707 28.567 27.740 0.199 0.000 2.178 236 C HN 2.119 nan 8.230 nan 0.000 0.488 237 G N 2.105 111.059 108.800 0.256 0.000 2.384 237 G HA2 0.101 4.060 3.960 -0.002 0.000 0.200 237 G HA3 0.101 4.060 3.960 -0.002 0.000 0.200 237 G C -1.364 173.648 174.900 0.186 0.000 1.205 237 G CA -0.577 44.606 45.100 0.139 0.000 1.116 237 G HN 0.816 nan 8.290 nan 0.000 0.547 238 L N 0.940 122.144 121.223 -0.033 0.000 2.290 238 L HA 0.808 5.147 4.340 -0.002 0.000 0.284 238 L C -0.804 175.960 176.870 -0.177 0.000 1.078 238 L CA -0.639 54.167 54.840 -0.057 0.000 0.815 238 L CB 0.312 42.245 42.059 -0.210 0.000 1.162 238 L HN 0.549 nan 8.230 nan 0.000 0.435 239 Y N 3.068 123.450 120.300 0.136 0.000 2.545 239 Y HA 0.501 5.050 4.550 -0.002 0.000 0.348 239 Y C -0.328 175.719 175.900 0.244 0.000 1.002 239 Y CA -0.959 57.249 58.100 0.180 0.000 1.039 239 Y CB 1.783 40.350 38.460 0.179 0.000 1.271 239 Y HN 0.400 nan 8.280 nan 0.000 0.467 240 K N 1.640 122.243 120.400 0.338 0.000 2.211 240 K HA 0.549 4.868 4.320 -0.002 0.000 0.275 240 K C -0.929 175.762 176.600 0.152 0.000 1.024 240 K CA -0.435 55.973 56.287 0.202 0.000 0.887 240 K CB 0.895 33.449 32.500 0.090 0.000 1.084 240 K HN 0.575 nan 8.250 nan 0.000 0.463 241 C N 0.951 120.304 119.300 0.088 0.000 2.478 241 C HA 0.305 4.764 4.460 -0.002 0.000 0.379 241 C C 2.228 177.205 174.990 -0.023 0.000 1.470 241 C CA -0.425 58.607 59.018 0.023 0.000 2.066 241 C CB 0.760 28.499 27.740 -0.002 0.000 2.001 241 C HN 0.993 nan 8.230 nan 0.000 0.550 242 A N 0.812 123.601 122.820 -0.053 0.000 2.019 242 A HA -0.122 4.197 4.320 -0.002 0.000 0.219 242 A C 1.293 178.836 177.584 -0.068 0.000 1.164 242 A CA 2.336 54.331 52.037 -0.069 0.000 0.644 242 A CB -0.417 18.527 19.000 -0.093 0.000 0.805 242 A HN 0.959 nan 8.150 nan 0.000 0.449 243 D N -2.918 117.445 120.400 -0.062 0.000 2.535 243 D HA 0.427 5.066 4.640 -0.002 0.000 0.229 243 D C 0.493 176.754 176.300 -0.065 0.000 1.238 243 D CA 0.623 54.586 54.000 -0.062 0.000 0.824 243 D CB -0.158 40.611 40.800 -0.051 0.000 1.045 243 D HN 0.676 nan 8.370 nan 0.000 0.500 244 G N -0.606 108.148 108.800 -0.077 0.000 2.368 244 G HA2 0.126 4.085 3.960 -0.002 0.000 0.302 244 G HA3 0.126 4.085 3.960 -0.002 0.000 0.302 244 G C -1.703 173.186 174.900 -0.017 0.000 1.329 244 G CA -1.221 43.818 45.100 -0.101 0.000 0.935 244 G HN 0.049 nan 8.290 nan 0.000 0.590 245 Y N 0.886 121.206 120.300 0.034 0.000 2.442 245 Y HA 0.437 4.986 4.550 -0.002 0.000 0.330 245 Y C 1.378 177.321 175.900 0.072 0.000 1.129 245 Y CA -0.403 57.730 58.100 0.054 0.000 1.365 245 Y CB 0.856 39.339 38.460 0.039 0.000 1.233 245 Y HN 0.639 nan 8.280 nan 0.000 0.529 246 I N 3.083 123.833 120.570 0.301 0.000 3.108 246 I HA 0.729 4.898 4.170 -0.002 0.000 0.312 246 I C -1.158 175.104 176.117 0.241 0.000 1.095 246 I CA -1.216 60.220 61.300 0.227 0.000 1.000 246 I CB 1.549 39.660 38.000 0.185 0.000 1.229 246 I HN 0.325 nan 8.210 nan 0.000 0.454 247 V N 1.944 121.979 119.914 0.202 0.000 2.815 247 V HA 0.834 4.953 4.120 -0.002 0.000 0.314 247 V C -0.253 175.974 176.094 0.222 0.000 1.064 247 V CA -0.687 61.741 62.300 0.215 0.000 0.952 247 V CB 1.570 33.473 31.823 0.133 0.000 1.020 247 V HN 1.069 nan 8.190 nan 0.000 0.439 248 M N 0.881 120.613 119.600 0.220 0.000 2.578 248 M HA 0.762 5.240 4.480 -0.002 0.000 0.276 248 M C -1.587 174.757 176.300 0.073 0.000 1.245 248 M CA -0.572 54.807 55.300 0.132 0.000 0.871 248 M CB 2.905 35.583 32.600 0.129 0.000 1.722 248 M HN 0.535 nan 8.290 nan 0.000 0.473 249 E N 2.554 122.746 120.200 -0.013 0.000 2.220 249 E HA 0.372 4.721 4.350 -0.002 0.000 0.256 249 E C -1.695 174.844 176.600 -0.101 0.000 0.881 249 E CA -0.650 55.738 56.400 -0.019 0.000 0.766 249 E CB 2.680 32.375 29.700 -0.009 0.000 1.187 249 E HN 0.744 nan 8.360 nan 0.000 0.419 250 L N 4.589 125.764 121.223 -0.080 0.000 2.375 250 L HA 0.216 4.555 4.340 -0.002 0.000 0.276 250 L C -1.206 175.618 176.870 -0.078 0.000 1.162 250 L CA -0.282 54.490 54.840 -0.114 0.000 0.991 250 L CB 0.235 42.255 42.059 -0.066 0.000 1.315 250 L HN 0.180 nan 8.230 nan 0.000 0.431 251 V N 3.416 123.265 119.914 -0.107 0.000 2.808 251 V HA 0.949 5.068 4.120 -0.002 0.000 0.308 251 V C 0.192 176.222 176.094 -0.106 0.000 1.099 251 V CA -0.275 61.966 62.300 -0.098 0.000 0.920 251 V CB 1.392 33.165 31.823 -0.083 0.000 1.014 251 V HN 0.888 nan 8.190 nan 0.000 0.425 252 G N 2.990 111.728 108.800 -0.103 0.000 2.674 252 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.686 252 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.686 252 G C -0.006 174.825 174.900 -0.115 0.000 1.195 252 G CA -0.250 44.791 45.100 -0.099 0.000 0.776 252 G HN 0.700 nan 8.290 nan 0.000 0.654 253 I N 0.541 121.048 120.570 -0.104 0.000 2.099 253 I HA -0.183 3.986 4.170 -0.002 0.000 0.239 253 I C 3.041 179.082 176.117 -0.127 0.000 1.066 253 I CA 2.191 63.421 61.300 -0.117 0.000 1.324 253 I CB -0.597 37.348 38.000 -0.091 0.000 1.037 253 I HN 0.672 nan 8.210 nan 0.000 0.401 254 T N -0.082 114.411 114.554 -0.102 0.000 2.684 254 T HA -0.228 4.121 4.350 -0.002 0.000 0.267 254 T C 1.905 176.539 174.700 -0.109 0.000 1.036 254 T CA 1.572 63.616 62.100 -0.092 0.000 1.148 254 T CB -0.148 68.679 68.868 -0.069 0.000 0.863 254 T HN 0.282 nan 8.240 nan 0.000 0.436 255 Q N 0.526 120.252 119.800 -0.123 0.000 2.061 255 Q HA 0.016 4.355 4.340 -0.002 0.000 0.204 255 Q C 2.322 178.226 176.000 -0.160 0.000 0.984 255 Q CA 1.350 57.062 55.803 -0.152 0.000 0.846 255 Q CB -0.369 28.267 28.738 -0.171 0.000 0.902 255 Q HN 0.507 nan 8.270 nan 0.000 0.421 256 I N 0.389 120.850 120.570 -0.182 0.000 2.179 256 I HA -0.253 3.916 4.170 -0.002 0.000 0.242 256 I C 1.948 177.881 176.117 -0.305 0.000 1.088 256 I CA 1.395 62.538 61.300 -0.261 0.000 1.357 256 I CB -0.662 37.117 38.000 -0.369 0.000 1.051 256 I HN 0.337 nan 8.210 nan 0.000 0.409 257 E N 0.703 120.755 120.200 -0.248 0.000 2.051 257 E HA -0.216 4.133 4.350 -0.002 0.000 0.192 257 E C 2.094 178.649 176.600 -0.075 0.000 0.991 257 E CA 1.108 57.400 56.400 -0.179 0.000 0.799 257 E CB 0.022 29.641 29.700 -0.135 0.000 0.748 257 E HN 0.403 nan 8.360 nan 0.000 0.449 258 E N 0.042 120.198 120.200 -0.072 0.000 2.216 258 E HA -0.104 4.245 4.350 -0.002 0.000 0.192 258 E C 2.071 178.634 176.600 -0.062 0.000 0.988 258 E CA 0.356 56.727 56.400 -0.050 0.000 0.834 258 E CB -0.400 29.271 29.700 -0.048 0.000 0.772 258 E HN 0.263 nan 8.360 nan 0.000 0.479 259 C N 0.113 119.373 119.300 -0.066 0.000 2.475 259 C HA -0.031 4.428 4.460 -0.002 0.000 0.279 259 C C 2.448 177.421 174.990 -0.028 0.000 1.322 259 C CA 0.033 58.985 59.018 -0.109 0.000 1.734 259 C CB -1.270 26.400 27.740 -0.117 0.000 2.005 259 C HN 0.210 nan 8.230 nan 0.000 0.495 260 F N 1.794 121.637 119.950 -0.180 0.000 2.126 260 F HA -0.060 4.466 4.527 -0.002 0.000 0.299 260 F C 2.411 178.130 175.800 -0.134 0.000 1.096 260 F CA 1.799 59.710 58.000 -0.148 0.000 1.255 260 F CB -0.666 38.259 39.000 -0.125 0.000 0.997 260 F HN 0.272 nan 8.300 nan 0.000 0.479 261 K N -0.127 120.315 120.400 0.070 0.000 2.057 261 K HA -0.178 4.141 4.320 -0.002 0.000 0.207 261 K C 1.741 178.317 176.600 -0.041 0.000 1.049 261 K CA 1.663 57.960 56.287 0.016 0.000 0.931 261 K CB -0.293 32.215 32.500 0.013 0.000 0.714 261 K HN 0.114 nan 8.250 nan 0.000 0.440 262 D N 0.834 121.150 120.400 -0.140 0.000 2.117 262 D HA -0.153 4.486 4.640 -0.002 0.000 0.197 262 D C 1.767 177.878 176.300 -0.316 0.000 0.987 262 D CA 1.200 55.050 54.000 -0.250 0.000 0.829 262 D CB -0.127 40.325 40.800 -0.579 0.000 0.961 262 D HN 0.403 nan 8.370 nan 0.000 0.460 263 I N -3.878 116.462 120.570 -0.384 0.000 3.578 263 I HA 0.294 4.463 4.170 -0.002 0.000 0.295 263 I C 1.062 177.149 176.117 -0.051 0.000 1.280 263 I CA 0.646 61.803 61.300 -0.239 0.000 1.347 263 I CB 0.147 37.987 38.000 -0.265 0.000 1.051 263 I HN 0.039 nan 8.210 nan 0.000 0.460 264 G N 2.003 110.780 108.800 -0.038 0.000 2.141 264 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.195 264 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.195 264 G C -0.048 174.885 174.900 0.055 0.000 1.012 264 G CA 0.005 45.126 45.100 0.034 0.000 0.696 264 G HN 0.257 nan 8.290 nan 0.000 0.508 265 L N 0.320 121.517 121.223 -0.044 0.000 3.122 265 L HA 0.647 4.986 4.340 -0.002 0.000 0.274 265 L C 2.392 179.204 176.870 -0.097 0.000 1.222 265 L CA 0.908 55.641 54.840 -0.179 0.000 1.028 265 L CB -0.067 41.669 42.059 -0.539 0.000 1.386 265 L HN 0.437 nan 8.230 nan 0.000 0.578 266 A N 0.220 123.083 122.820 0.072 0.000 1.915 266 A HA -0.317 4.002 4.320 -0.002 0.000 0.220 266 A C 2.061 179.674 177.584 0.048 0.000 1.198 266 A CA 2.472 54.565 52.037 0.093 0.000 0.647 266 A CB -1.001 18.059 19.000 0.100 0.000 0.825 266 A HN 0.771 nan 8.150 nan 0.000 0.456 267 H N -1.188 117.891 119.070 0.014 0.000 2.518 267 H HA 0.074 4.628 4.556 -0.002 0.000 0.292 267 H C 1.497 176.810 175.328 -0.025 0.000 1.068 267 H CA 1.211 57.252 56.048 -0.011 0.000 1.275 267 H CB -0.497 29.247 29.762 -0.030 0.000 1.375 267 H HN 0.424 nan 8.280 nan 0.000 0.563 268 L N 0.492 121.427 121.223 -0.481 0.000 2.291 268 L HA 0.040 4.379 4.340 -0.002 0.000 0.214 268 L C 0.513 177.327 176.870 -0.093 0.000 1.120 268 L CA 0.081 54.740 54.840 -0.301 0.000 0.799 268 L CB -0.163 41.757 42.059 -0.232 0.000 0.925 268 L HN 0.247 nan 8.230 nan 0.000 0.446 269 L N 0.328 121.521 121.223 -0.050 0.000 2.410 269 L HA 0.227 4.566 4.340 -0.002 0.000 0.273 269 L C 1.240 178.078 176.870 -0.053 0.000 1.144 269 L CA 0.539 55.333 54.840 -0.077 0.000 0.863 269 L CB 0.356 42.364 42.059 -0.086 0.000 1.140 269 L HN 0.277 nan 8.230 nan 0.000 0.463 270 G N 1.106 109.875 108.800 -0.053 0.000 2.176 270 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.232 270 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.232 270 G C 0.324 175.215 174.900 -0.014 0.000 0.986 270 G CA 0.081 45.162 45.100 -0.031 0.000 0.643 270 G HN 0.751 nan 8.290 nan 0.000 0.522 271 T N -1.144 113.402 114.554 -0.013 0.000 2.813 271 T HA 0.536 4.885 4.350 -0.002 0.000 0.297 271 T C -0.565 174.153 174.700 0.031 0.000 1.036 271 T CA -0.495 61.612 62.100 0.011 0.000 1.044 271 T CB 1.573 70.445 68.868 0.007 0.000 0.993 271 T HN -0.072 nan 8.240 nan 0.000 0.535 272 P HA -0.140 nan 4.420 nan 0.000 0.218 272 P C 1.087 178.422 177.300 0.058 0.000 1.150 272 P CA 1.290 64.417 63.100 0.046 0.000 0.841 272 P CB 0.082 31.814 31.700 0.053 0.000 0.784 273 E N -1.556 118.705 120.200 0.102 0.000 2.140 273 E HA 0.067 4.416 4.350 -0.002 0.000 0.191 273 E C 0.486 177.145 176.600 0.098 0.000 0.973 273 E CA 0.563 57.038 56.400 0.125 0.000 0.829 273 E CB -0.078 29.768 29.700 0.243 0.000 0.781 273 E HN 0.215 nan 8.360 nan 0.000 0.466 274 I N 2.348 122.961 120.570 0.073 0.000 2.620 274 I HA 0.211 4.380 4.170 -0.002 0.000 0.280 274 I C -2.279 173.819 176.117 -0.032 0.000 1.143 274 I CA -2.086 59.218 61.300 0.007 0.000 1.163 274 I CB 0.872 38.858 38.000 -0.022 0.000 1.461 274 I HN -0.073 nan 8.210 nan 0.000 0.530 275 P HA 0.107 nan 4.420 nan 0.000 0.302 275 P C 0.865 178.133 177.300 -0.053 0.000 1.301 275 P CA -0.056 63.026 63.100 -0.030 0.000 0.745 275 P CB 1.211 32.900 31.700 -0.017 0.000 1.331 276 E N 0.215 120.388 120.200 -0.045 0.000 2.019 276 E HA -0.149 4.200 4.350 -0.002 0.000 0.208 276 E C 1.861 178.421 176.600 -0.066 0.000 1.030 276 E CA 2.310 58.678 56.400 -0.053 0.000 0.856 276 E CB -1.457 28.220 29.700 -0.039 0.000 0.781 276 E HN 0.627 nan 8.360 nan 0.000 0.471 277 G N -0.119 108.647 108.800 -0.056 0.000 3.379 277 G HA2 0.043 4.002 3.960 -0.002 0.000 0.253 277 G HA3 0.043 4.002 3.960 -0.002 0.000 0.253 277 G C -0.260 174.597 174.900 -0.071 0.000 1.262 277 G CA 0.110 45.174 45.100 -0.061 0.000 0.959 277 G HN 0.128 nan 8.290 nan 0.000 0.524 278 T N 1.231 115.734 114.554 -0.085 0.000 2.792 278 T HA 0.023 4.372 4.350 -0.002 0.000 0.286 278 T C 1.359 175.996 174.700 -0.105 0.000 0.970 278 T CA 0.554 62.601 62.100 -0.087 0.000 1.187 278 T CB 0.795 69.600 68.868 -0.106 0.000 0.915 278 T HN 0.498 nan 8.240 nan 0.000 0.529 279 Q N 1.711 121.461 119.800 -0.084 0.000 2.384 279 Q HA 0.346 4.685 4.340 -0.002 0.000 0.207 279 Q C -0.212 175.728 176.000 -0.101 0.000 0.904 279 Q CA -0.002 55.745 55.803 -0.093 0.000 0.933 279 Q CB 0.451 29.141 28.738 -0.080 0.000 1.077 279 Q HN 0.326 nan 8.270 nan 0.000 0.522 280 L N 0.755 121.929 121.223 -0.082 0.000 2.556 280 L HA 0.339 4.678 4.340 -0.002 0.000 0.257 280 L C -2.066 174.828 176.870 0.040 0.000 0.955 280 L CA -1.037 53.758 54.840 -0.075 0.000 0.850 280 L CB 2.243 44.182 42.059 -0.201 0.000 1.398 280 L HN 0.005 nan 8.230 nan 0.000 0.412 281 I N 1.388 122.041 120.570 0.138 0.000 2.390 281 I HA 0.417 4.586 4.170 -0.002 0.000 0.283 281 I C -0.178 176.161 176.117 0.371 0.000 1.016 281 I CA -0.883 60.558 61.300 0.235 0.000 1.151 281 I CB 0.681 38.828 38.000 0.245 0.000 1.293 281 I HN 0.447 nan 8.210 nan 0.000 0.458 282 H N 5.820 125.058 119.070 0.279 0.000 2.864 282 H HA 0.283 4.838 4.556 -0.002 0.000 0.281 282 H C 1.002 176.388 175.328 0.096 0.000 1.093 282 H CA 0.279 56.460 56.048 0.222 0.000 1.453 282 H CB 1.306 31.145 29.762 0.128 0.000 1.462 282 H HN 0.696 nan 8.280 nan 0.000 0.480 283 R N 4.113 124.683 120.500 0.117 0.000 2.148 283 R HA -0.077 4.262 4.340 -0.002 0.000 0.227 283 R C 1.153 177.543 176.300 0.150 0.000 1.103 283 R CA 0.739 56.913 56.100 0.124 0.000 0.983 283 R CB 0.350 30.680 30.300 0.050 0.000 0.874 283 R HN 0.501 nan 8.270 nan 0.000 0.451 284 I N 0.368 121.099 120.570 0.268 0.000 2.429 284 I HA -0.079 4.090 4.170 -0.002 0.000 0.247 284 I C 1.809 177.961 176.117 0.057 0.000 1.099 284 I CA 1.131 62.527 61.300 0.161 0.000 1.422 284 I CB -1.031 37.086 38.000 0.194 0.000 1.112 284 I HN 0.123 nan 8.210 nan 0.000 0.430 285 E N -0.304 119.895 120.200 -0.001 0.000 2.204 285 E HA -0.143 4.206 4.350 -0.002 0.000 0.194 285 E C 0.741 177.291 176.600 -0.082 0.000 0.989 285 E CA 0.404 56.700 56.400 -0.172 0.000 0.824 285 E CB 0.101 29.546 29.700 -0.426 0.000 0.756 285 E HN 0.298 nan 8.360 nan 0.000 0.477 286 C N 1.443 120.741 119.300 -0.003 0.000 2.394 286 C HA 0.181 4.640 4.460 -0.002 0.000 0.362 286 C C -1.385 173.518 174.990 -0.144 0.000 1.268 286 C CA -2.083 56.917 59.018 -0.031 0.000 1.828 286 C CB 0.372 28.171 27.740 0.099 0.000 2.442 286 C HN 0.193 nan 8.230 nan 0.000 0.549 287 P HA -0.106 nan 4.420 nan 0.000 0.218 287 P C 0.160 177.187 177.300 -0.455 0.000 1.146 287 P CA 1.649 64.440 63.100 -0.515 0.000 0.813 287 P CB -0.046 31.134 31.700 -0.868 0.000 0.778 288 Y N -1.822 118.509 120.300 0.051 0.000 2.457 288 Y HA 0.327 4.876 4.550 -0.002 0.000 0.263 288 Y C 2.442 178.370 175.900 0.047 0.000 1.164 288 Y CA -0.084 58.041 58.100 0.042 0.000 1.274 288 Y CB -1.371 37.115 38.460 0.044 0.000 1.097 288 Y HN -0.109 nan 8.280 nan 0.000 0.523 289 G N 2.211 111.086 108.800 0.124 0.000 2.586 289 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.218 289 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.218 289 G C -0.489 174.470 174.900 0.098 0.000 1.216 289 G CA 1.062 46.236 45.100 0.123 0.000 0.786 289 G HN 0.268 nan 8.290 nan 0.000 0.583 290 P HA -0.065 nan 4.420 nan 0.000 0.218 290 P C 2.064 179.404 177.300 0.068 0.000 1.148 290 P CA 0.559 63.696 63.100 0.062 0.000 0.822 290 P CB -0.102 31.624 31.700 0.044 0.000 0.784 291 L N -0.823 120.448 121.223 0.080 0.000 2.056 291 L HA -0.138 4.201 4.340 -0.002 0.000 0.207 291 L C 2.117 178.995 176.870 0.014 0.000 1.078 291 L CA 1.529 56.408 54.840 0.065 0.000 0.749 291 L CB -0.588 41.533 42.059 0.103 0.000 0.901 291 L HN -0.123 nan 8.230 nan 0.000 0.433 292 V N -0.149 119.762 119.914 -0.005 0.000 2.287 292 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 292 V C 2.558 178.655 176.094 0.005 0.000 1.053 292 V CA 1.723 63.967 62.300 -0.094 0.000 1.027 292 V CB -0.526 31.258 31.823 -0.065 0.000 0.646 292 V HN 0.452 nan 8.190 nan 0.000 0.447 293 E N -0.090 120.158 120.200 0.079 0.000 2.077 293 E HA -0.251 4.098 4.350 -0.002 0.000 0.193 293 E C 2.231 178.913 176.600 0.137 0.000 0.989 293 E CA 1.521 58.008 56.400 0.146 0.000 0.800 293 E CB -0.293 29.487 29.700 0.133 0.000 0.746 293 E HN 0.780 nan 8.360 nan 0.000 0.452 294 E N 0.711 120.966 120.200 0.091 0.000 2.085 294 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 294 E C 1.779 178.436 176.600 0.095 0.000 0.994 294 E CA 1.101 57.553 56.400 0.086 0.000 0.801 294 E CB 0.203 29.941 29.700 0.064 0.000 0.743 294 E HN -0.035 nan 8.360 nan 0.000 0.453 295 K N 0.566 121.005 120.400 0.064 0.000 2.116 295 K HA -0.045 4.274 4.320 -0.002 0.000 0.203 295 K C 2.310 178.986 176.600 0.128 0.000 1.052 295 K CA 0.363 56.691 56.287 0.068 0.000 0.952 295 K CB -0.398 32.094 32.500 -0.014 0.000 0.729 295 K HN 0.291 nan 8.250 nan 0.000 0.446 296 L N 1.476 122.762 121.223 0.105 0.000 1.994 296 L HA -0.239 4.100 4.340 -0.002 0.000 0.208 296 L C 1.726 178.763 176.870 0.279 0.000 1.071 296 L CA 1.663 56.599 54.840 0.161 0.000 0.745 296 L CB -0.353 41.764 42.059 0.096 0.000 0.892 296 L HN 0.153 nan 8.230 nan 0.000 0.431 297 D N -0.056 120.513 120.400 0.280 0.000 2.133 297 D HA -0.199 4.440 4.640 -0.002 0.000 0.195 297 D C 2.096 178.528 176.300 0.220 0.000 0.997 297 D CA 1.580 55.751 54.000 0.284 0.000 0.840 297 D CB -0.015 40.917 40.800 0.219 0.000 0.947 297 D HN 0.436 nan 8.370 nan 0.000 0.452 298 A N -0.315 122.622 122.820 0.195 0.000 1.897 298 A HA -0.123 4.196 4.320 -0.002 0.000 0.215 298 A C 2.161 179.860 177.584 0.191 0.000 1.181 298 A CA 1.231 53.361 52.037 0.155 0.000 0.620 298 A CB -1.106 17.972 19.000 0.131 0.000 0.821 298 A HN 0.405 nan 8.150 nan 0.000 0.443 299 W N 0.684 122.036 121.300 0.086 0.000 2.379 299 W HA -0.113 4.546 4.660 -0.002 0.000 0.307 299 W C 1.684 178.325 176.519 0.203 0.000 1.200 299 W CA 1.809 59.234 57.345 0.133 0.000 1.297 299 W CB -0.307 29.215 29.460 0.104 0.000 1.140 299 W HN 0.233 nan 8.180 nan 0.000 0.507 300 L N 0.760 122.171 121.223 0.313 0.000 2.127 300 L HA -0.198 4.141 4.340 -0.002 0.000 0.211 300 L C 2.571 179.437 176.870 -0.006 0.000 1.089 300 L CA 1.417 56.315 54.840 0.097 0.000 0.757 300 L CB -1.160 41.034 42.059 0.226 0.000 0.899 300 L HN 0.135 nan 8.230 nan 0.000 0.434 301 A N -1.520 121.313 122.820 0.022 0.000 2.167 301 A HA -0.078 4.240 4.320 -0.002 0.000 0.214 301 A C 2.267 179.784 177.584 -0.111 0.000 1.151 301 A CA 1.409 53.433 52.037 -0.022 0.000 0.735 301 A CB -0.464 18.543 19.000 0.013 0.000 0.802 301 A HN 0.303 nan 8.150 nan 0.000 0.467 302 T N -0.509 113.924 114.554 -0.203 0.000 3.043 302 T HA 0.078 4.427 4.350 -0.002 0.000 0.263 302 T C 0.266 174.610 174.700 -0.594 0.000 1.094 302 T CA 0.793 62.655 62.100 -0.396 0.000 1.127 302 T CB -0.216 68.347 68.868 -0.508 0.000 0.905 302 T HN 0.665 nan 8.240 nan 0.000 0.490 303 H N -0.317 118.521 119.070 -0.386 0.000 2.616 303 H HA 0.502 5.057 4.556 -0.002 0.000 0.353 303 H C 0.151 175.330 175.328 -0.249 0.000 1.170 303 H CA -0.443 55.378 56.048 -0.378 0.000 1.212 303 H CB 1.029 30.427 29.762 -0.607 0.000 1.653 303 H HN -0.110 nan 8.280 nan 0.000 0.537 304 T N 1.044 115.558 114.554 -0.068 0.000 2.882 304 T HA 0.122 4.471 4.350 -0.002 0.000 0.287 304 T C 1.897 176.557 174.700 -0.067 0.000 1.014 304 T CA -0.248 61.813 62.100 -0.065 0.000 1.049 304 T CB 0.359 69.193 68.868 -0.057 0.000 1.001 304 T HN 0.454 nan 8.240 nan 0.000 0.525 305 I N 1.978 122.520 120.570 -0.048 0.000 2.151 305 I HA -0.253 3.916 4.170 -0.002 0.000 0.243 305 I C 2.683 178.772 176.117 -0.047 0.000 1.080 305 I CA 1.695 62.973 61.300 -0.037 0.000 1.339 305 I CB -0.490 37.509 38.000 -0.001 0.000 1.039 305 I HN 0.750 nan 8.210 nan 0.000 0.409 306 A N 0.315 123.114 122.820 -0.035 0.000 1.940 306 A HA -0.247 4.072 4.320 -0.002 0.000 0.219 306 A C 2.203 179.760 177.584 -0.044 0.000 1.176 306 A CA 1.924 53.945 52.037 -0.027 0.000 0.631 306 A CB -0.606 18.384 19.000 -0.017 0.000 0.814 306 A HN 0.502 nan 8.150 nan 0.000 0.446 307 E N -0.538 119.625 120.200 -0.062 0.000 2.106 307 E HA -0.087 4.262 4.350 -0.002 0.000 0.192 307 E C 1.967 178.464 176.600 -0.172 0.000 0.984 307 E CA 1.097 57.451 56.400 -0.077 0.000 0.806 307 E CB -0.230 29.451 29.700 -0.032 0.000 0.750 307 E HN 0.397 nan 8.360 nan 0.000 0.458 308 V N 1.669 121.427 119.914 -0.259 0.000 2.295 308 V HA -0.269 3.850 4.120 -0.002 0.000 0.246 308 V C 2.145 178.020 176.094 -0.364 0.000 1.049 308 V CA 1.715 63.737 62.300 -0.463 0.000 1.024 308 V CB -0.381 31.153 31.823 -0.482 0.000 0.648 308 V HN 0.184 nan 8.190 nan 0.000 0.447 309 K N -0.373 119.939 120.400 -0.147 0.000 2.044 309 K HA -0.245 4.074 4.320 -0.002 0.000 0.210 309 K C 2.267 178.885 176.600 0.029 0.000 1.049 309 K CA 1.869 58.151 56.287 -0.009 0.000 0.927 309 K CB -0.203 32.306 32.500 0.015 0.000 0.713 309 K HN 0.502 nan 8.250 nan 0.000 0.443 310 E N 0.228 120.427 120.200 -0.002 0.000 2.047 310 E HA -0.205 4.144 4.350 -0.002 0.000 0.191 310 E C 2.147 178.782 176.600 0.059 0.000 0.987 310 E CA 0.962 57.378 56.400 0.028 0.000 0.799 310 E CB 0.093 29.802 29.700 0.014 0.000 0.752 310 E HN 0.050 nan 8.360 nan 0.000 0.449 311 R N 0.259 120.785 120.500 0.043 0.000 2.075 311 R HA -0.118 4.220 4.340 -0.002 0.000 0.232 311 R C 1.987 178.451 176.300 0.273 0.000 1.126 311 R CA 1.307 57.480 56.100 0.120 0.000 0.963 311 R CB -0.581 29.790 30.300 0.118 0.000 0.858 311 R HN 0.120 nan 8.270 nan 0.000 0.435 312 F N 0.275 120.259 119.950 0.055 0.000 2.325 312 F HA 0.179 4.705 4.527 -0.002 0.000 0.299 312 F C 2.203 178.013 175.800 0.018 0.000 1.090 312 F CA 0.549 58.567 58.000 0.029 0.000 1.392 312 F CB -1.153 37.869 39.000 0.037 0.000 1.053 312 F HN 0.195 nan 8.300 nan 0.000 0.521 313 A N -0.272 122.673 122.820 0.208 0.000 2.015 313 A HA -0.151 4.168 4.320 -0.002 0.000 0.219 313 A C 2.152 179.786 177.584 0.084 0.000 1.163 313 A CA 1.327 53.433 52.037 0.116 0.000 0.646 313 A CB -0.594 18.458 19.000 0.086 0.000 0.806 313 A HN 0.375 nan 8.150 nan 0.000 0.448 314 E N -0.265 119.993 120.200 0.096 0.000 2.072 314 E HA -0.027 4.322 4.350 -0.002 0.000 0.190 314 E C 1.452 178.084 176.600 0.053 0.000 0.982 314 E CA 0.889 57.330 56.400 0.069 0.000 0.803 314 E CB -0.141 29.604 29.700 0.074 0.000 0.755 314 E HN 0.615 nan 8.360 nan 0.000 0.453 315 L N 0.525 121.789 121.223 0.069 0.000 2.591 315 L HA 0.113 4.452 4.340 -0.002 0.000 0.228 315 L C 0.512 177.365 176.870 -0.027 0.000 1.133 315 L CA -0.199 54.649 54.840 0.014 0.000 0.880 315 L CB -0.236 41.826 42.059 0.005 0.000 1.033 315 L HN 0.169 nan 8.230 nan 0.000 0.450 316 N N 1.096 119.794 118.700 -0.004 0.000 2.754 316 N HA -0.215 4.524 4.740 -0.002 0.000 0.248 316 N C -0.443 175.022 175.510 -0.075 0.000 1.093 316 N CA 0.458 53.493 53.050 -0.025 0.000 0.699 316 N CB -1.407 37.062 38.487 -0.030 0.000 1.016 316 N HN 0.339 nan 8.380 nan 0.000 0.552 317 I N 0.692 121.190 120.570 -0.120 0.000 2.315 317 I HA 0.397 4.566 4.170 -0.002 0.000 0.291 317 I C 1.110 177.152 176.117 -0.126 0.000 1.006 317 I CA -0.572 60.569 61.300 -0.265 0.000 1.265 317 I CB 1.255 38.807 38.000 -0.747 0.000 1.387 317 I HN 0.305 nan 8.210 nan 0.000 0.475 318 A N 6.617 129.385 122.820 -0.087 0.000 2.477 318 A HA 0.466 4.785 4.320 -0.002 0.000 0.246 318 A C 0.023 177.633 177.584 0.043 0.000 1.078 318 A CA -0.183 51.852 52.037 -0.003 0.000 0.770 318 A CB -0.054 18.942 19.000 -0.006 0.000 1.011 318 A HN 1.000 nan 8.150 nan 0.000 0.494 319 C N -0.587 118.787 119.300 0.123 0.000 3.295 319 C HA 0.982 5.441 4.460 -0.002 0.000 0.341 319 C C -0.368 174.710 174.990 0.147 0.000 1.418 319 C CA -0.152 58.976 59.018 0.183 0.000 1.240 319 C CB 0.925 28.885 27.740 0.366 0.000 1.562 319 C HN 2.374 nan 8.230 nan 0.000 0.457 320 A N 0.795 123.701 122.820 0.143 0.000 2.605 320 A HA 0.731 5.049 4.320 -0.002 0.000 0.294 320 A C -1.146 176.508 177.584 0.116 0.000 1.062 320 A CA -0.445 51.660 52.037 0.114 0.000 0.682 320 A CB 1.046 20.104 19.000 0.096 0.000 1.278 320 A HN 1.198 nan 8.150 nan 0.000 0.410 321 K N 1.199 121.657 120.400 0.098 0.000 2.401 321 K HA 0.384 4.703 4.320 -0.002 0.000 0.278 321 K C -0.428 176.230 176.600 0.097 0.000 1.018 321 K CA -0.190 56.154 56.287 0.096 0.000 0.981 321 K CB 0.440 32.983 32.500 0.072 0.000 0.933 321 K HN 0.466 nan 8.250 nan 0.000 0.477 322 V N 6.893 126.877 119.914 0.116 0.000 2.421 322 V HA 0.045 4.163 4.120 -0.002 0.000 0.271 322 V C 0.368 176.513 176.094 0.085 0.000 1.031 322 V CA -0.055 62.305 62.300 0.099 0.000 1.032 322 V CB -0.044 31.848 31.823 0.115 0.000 1.009 322 V HN 0.624 nan 8.190 nan 0.000 0.477 323 L N 5.500 126.759 121.223 0.060 0.000 2.312 323 L HA 0.458 4.797 4.340 -0.002 0.000 0.281 323 L C 0.898 177.783 176.870 0.025 0.000 1.070 323 L CA -0.337 54.523 54.840 0.034 0.000 0.805 323 L CB 1.639 43.707 42.059 0.015 0.000 1.174 323 L HN 0.732 nan 8.230 nan 0.000 0.434 324 T N -1.092 113.471 114.554 0.014 0.000 2.899 324 T HA 0.235 4.583 4.350 -0.002 0.000 0.284 324 T C 1.282 175.970 174.700 -0.020 0.000 1.004 324 T CA -0.894 61.211 62.100 0.008 0.000 1.043 324 T CB 1.762 70.637 68.868 0.013 0.000 1.013 324 T HN 0.239 nan 8.240 nan 0.000 0.518 325 V N 2.251 122.156 119.914 -0.015 0.000 2.324 325 V HA -0.081 4.038 4.120 -0.002 0.000 0.250 325 V C -0.466 175.598 176.094 -0.049 0.000 1.060 325 V CA 1.727 64.010 62.300 -0.028 0.000 1.042 325 V CB -1.657 30.162 31.823 -0.006 0.000 0.650 325 V HN 0.812 nan 8.190 nan 0.000 0.450 326 P HA -0.109 nan 4.420 nan 0.000 0.228 326 P C 1.216 178.478 177.300 -0.064 0.000 1.151 326 P CA 1.080 64.155 63.100 -0.042 0.000 0.770 326 P CB -0.050 31.635 31.700 -0.025 0.000 0.786 327 E N -1.225 118.927 120.200 -0.080 0.000 2.447 327 E HA 0.075 4.423 4.350 -0.002 0.000 0.195 327 E C 1.661 178.145 176.600 -0.193 0.000 1.028 327 E CA 0.087 56.428 56.400 -0.099 0.000 0.876 327 E CB -0.165 29.496 29.700 -0.065 0.000 0.885 327 E HN 0.293 nan 8.360 nan 0.000 0.500 328 L N 0.710 121.761 121.223 -0.286 0.000 2.044 328 L HA -0.102 4.237 4.340 -0.002 0.000 0.205 328 L C 2.328 178.839 176.870 -0.599 0.000 1.075 328 L CA 1.151 55.601 54.840 -0.651 0.000 0.747 328 L CB -0.431 41.243 42.059 -0.642 0.000 0.903 328 L HN 0.074 nan 8.230 nan 0.000 0.435 329 E N 0.399 120.435 120.200 -0.273 0.000 2.097 329 E HA -0.222 4.127 4.350 -0.002 0.000 0.196 329 E C 1.903 178.460 176.600 -0.072 0.000 1.000 329 E CA 1.793 58.121 56.400 -0.121 0.000 0.804 329 E CB 0.010 29.677 29.700 -0.054 0.000 0.740 329 E HN 0.489 nan 8.360 nan 0.000 0.454 330 S N 0.139 115.787 115.700 -0.087 0.000 2.572 330 S HA 0.050 4.518 4.470 -0.002 0.000 0.228 330 S C 0.311 174.899 174.600 -0.021 0.000 0.963 330 S CA -0.611 57.570 58.200 -0.032 0.000 0.939 330 S CB -0.029 63.155 63.200 -0.026 0.000 0.804 330 S HN 0.091 nan 8.310 nan 0.000 0.480 331 N N 2.669 121.336 118.700 -0.056 0.000 2.497 331 N HA 0.145 4.884 4.740 -0.002 0.000 0.268 331 N C -1.981 173.601 175.510 0.119 0.000 1.171 331 N CA -1.227 51.839 53.050 0.027 0.000 0.948 331 N CB 1.361 39.862 38.487 0.023 0.000 1.069 331 N HN 0.006 nan 8.380 nan 0.000 0.460 332 P HA -0.121 nan 4.420 nan 0.000 0.218 332 P C 1.057 178.419 177.300 0.103 0.000 1.148 332 P CA 1.103 64.254 63.100 0.084 0.000 0.822 332 P CB 0.340 32.075 31.700 0.058 0.000 0.784 333 Q N -1.254 118.625 119.800 0.131 0.000 2.046 333 Q HA -0.183 4.156 4.340 -0.002 0.000 0.200 333 Q C 1.904 177.959 176.000 0.091 0.000 0.975 333 Q CA 1.772 57.632 55.803 0.094 0.000 0.836 333 Q CB -1.167 27.616 28.738 0.075 0.000 0.896 333 Q HN 0.202 nan 8.270 nan 0.000 0.428 334 Y N -0.786 119.526 120.300 0.019 0.000 2.128 334 Y HA -0.249 4.300 4.550 -0.002 0.000 0.284 334 Y C 2.278 178.193 175.900 0.025 0.000 1.154 334 Y CA 1.510 59.624 58.100 0.023 0.000 1.149 334 Y CB -0.642 37.833 38.460 0.025 0.000 0.976 334 Y HN -0.027 nan 8.280 nan 0.000 0.505 335 V N -0.284 119.749 119.914 0.197 0.000 2.261 335 V HA -0.361 3.758 4.120 -0.002 0.000 0.246 335 V C 2.534 178.673 176.094 0.075 0.000 1.047 335 V CA 1.837 64.206 62.300 0.115 0.000 1.015 335 V CB -1.515 30.359 31.823 0.085 0.000 0.642 335 V HN 0.475 nan 8.190 nan 0.000 0.446 336 A N 0.106 122.963 122.820 0.062 0.000 1.948 336 A HA -0.230 4.089 4.320 -0.002 0.000 0.220 336 A C 2.244 179.842 177.584 0.023 0.000 1.177 336 A CA 1.903 53.962 52.037 0.037 0.000 0.636 336 A CB -0.433 18.585 19.000 0.029 0.000 0.815 336 A HN 0.599 nan 8.150 nan 0.000 0.449 337 R N -1.163 119.345 120.500 0.013 0.000 2.334 337 R HA 0.181 4.520 4.340 -0.002 0.000 0.216 337 R C -0.099 176.205 176.300 0.006 0.000 0.905 337 R CA 0.363 56.458 56.100 -0.009 0.000 1.064 337 R CB 0.047 30.315 30.300 -0.053 0.000 1.046 337 R HN 0.643 nan 8.270 nan 0.000 0.508 338 E N 1.066 121.287 120.200 0.036 0.000 2.228 338 E HA -0.237 4.112 4.350 -0.002 0.000 0.213 338 E C -0.112 176.522 176.600 0.057 0.000 1.282 338 E CA 0.135 56.570 56.400 0.058 0.000 0.707 338 E CB -0.650 29.081 29.700 0.053 0.000 1.150 338 E HN 0.245 nan 8.360 nan 0.000 0.362 339 S N -0.487 115.241 115.700 0.047 0.000 2.406 339 S HA 0.025 4.494 4.470 -0.002 0.000 0.228 339 S C 0.973 175.640 174.600 0.111 0.000 1.020 339 S CA 0.653 58.857 58.200 0.006 0.000 0.965 339 S CB 0.237 63.312 63.200 -0.208 0.000 0.798 339 S HN 0.363 nan 8.310 nan 0.000 0.488 340 I N 0.753 121.434 120.570 0.184 0.000 2.404 340 I HA 0.369 4.538 4.170 -0.002 0.000 0.293 340 I C 0.115 176.336 176.117 0.173 0.000 0.992 340 I CA -0.193 61.228 61.300 0.201 0.000 1.149 340 I CB 2.152 40.281 38.000 0.216 0.000 1.315 340 I HN -0.013 nan 8.210 nan 0.000 0.446 341 T N 4.451 119.136 114.554 0.219 0.000 2.716 341 T HA 0.524 4.873 4.350 -0.002 0.000 0.286 341 T C -1.304 173.546 174.700 0.250 0.000 1.052 341 T CA -0.453 61.776 62.100 0.215 0.000 1.024 341 T CB 1.768 70.763 68.868 0.213 0.000 1.349 341 T HN 0.596 nan 8.240 nan 0.000 0.525 342 Q N -0.043 119.892 119.800 0.225 0.000 2.413 342 Q HA 0.651 4.990 4.340 -0.002 0.000 0.276 342 Q C -1.623 174.558 176.000 0.301 0.000 1.099 342 Q CA -0.883 54.993 55.803 0.122 0.000 0.814 342 Q CB 2.557 31.291 28.738 -0.007 0.000 1.379 342 Q HN 0.746 nan 8.270 nan 0.000 0.436 343 W N -0.530 120.767 121.300 -0.005 0.000 3.042 343 W HA 0.503 5.162 4.660 -0.002 0.000 0.342 343 W C -1.418 175.090 176.519 -0.018 0.000 1.240 343 W CA -0.918 56.418 57.345 -0.016 0.000 1.166 343 W CB 0.818 30.259 29.460 -0.033 0.000 1.469 343 W HN 0.213 nan 8.180 nan 0.000 0.579 344 Q N 2.283 122.179 119.800 0.161 0.000 2.278 344 Q HA 0.273 4.612 4.340 -0.002 0.000 0.257 344 Q C 0.525 176.590 176.000 0.108 0.000 0.928 344 Q CA -0.311 55.520 55.803 0.047 0.000 0.932 344 Q CB 1.714 30.486 28.738 0.057 0.000 1.221 344 Q HN 0.624 nan 8.270 nan 0.000 0.434 345 T N -1.306 113.256 114.554 0.013 0.000 2.726 345 T HA 0.134 4.483 4.350 -0.002 0.000 0.294 345 T C 1.244 175.970 174.700 0.044 0.000 1.013 345 T CA -0.356 61.776 62.100 0.053 0.000 0.996 345 T CB 0.562 69.435 68.868 0.008 0.000 1.016 345 T HN 0.492 nan 8.240 nan 0.000 0.529 346 M N 1.200 120.824 119.600 0.041 0.000 2.175 346 M HA 0.076 4.555 4.480 -0.002 0.000 0.264 346 M C 2.487 178.802 176.300 0.026 0.000 1.063 346 M CA 2.455 57.772 55.300 0.030 0.000 1.119 346 M CB -1.176 31.442 32.600 0.031 0.000 1.377 346 M HN 0.960 nan 8.290 nan 0.000 0.415 347 D N -1.671 118.743 120.400 0.024 0.000 2.350 347 D HA 0.289 4.928 4.640 -0.002 0.000 0.216 347 D C 1.516 177.822 176.300 0.010 0.000 0.968 347 D CA 0.917 54.928 54.000 0.017 0.000 0.894 347 D CB -0.810 39.999 40.800 0.015 0.000 0.909 347 D HN 0.729 nan 8.370 nan 0.000 0.520 348 G N -2.460 106.346 108.800 0.008 0.000 2.130 348 G HA2 0.285 4.244 3.960 -0.002 0.000 0.216 348 G HA3 0.285 4.244 3.960 -0.002 0.000 0.216 348 G C 0.503 175.396 174.900 -0.012 0.000 0.999 348 G CA 1.002 46.105 45.100 0.004 0.000 0.686 348 G HN 1.273 nan 8.290 nan 0.000 0.515 349 R N -0.386 120.098 120.500 -0.028 0.000 2.674 349 R HA 0.893 5.232 4.340 -0.002 0.000 0.266 349 R C 0.461 176.703 176.300 -0.096 0.000 1.016 349 R CA 0.471 56.539 56.100 -0.052 0.000 1.062 349 R CB 0.236 30.505 30.300 -0.052 0.000 1.142 349 R HN 0.694 nan 8.270 nan 0.000 0.517 350 T N 0.197 114.681 114.554 -0.116 0.000 2.806 350 T HA 0.420 4.769 4.350 -0.002 0.000 0.290 350 T C -0.463 174.065 174.700 -0.287 0.000 0.966 350 T CA -0.355 61.641 62.100 -0.174 0.000 1.060 350 T CB 0.550 69.347 68.868 -0.119 0.000 0.927 350 T HN 0.725 nan 8.240 nan 0.000 0.485 351 C N 4.215 123.199 119.300 -0.525 0.000 2.408 351 C HA 0.702 5.161 4.460 -0.002 0.000 0.321 351 C C -0.188 174.202 174.990 -1.001 0.000 1.245 351 C CA -0.876 57.663 59.018 -0.799 0.000 1.523 351 C CB 0.460 27.512 27.740 -1.145 0.000 2.178 351 C HN 1.023 nan 8.230 nan 0.000 0.488 352 K N 3.607 123.627 120.400 -0.634 0.000 2.207 352 K HA 0.785 5.104 4.320 -0.002 0.000 0.255 352 K C -0.021 176.459 176.600 -0.199 0.000 0.941 352 K CA 0.046 56.118 56.287 -0.359 0.000 0.825 352 K CB 1.524 33.936 32.500 -0.146 0.000 1.119 352 K HN 1.098 nan 8.250 nan 0.000 0.430 353 G N 2.748 111.637 108.800 0.149 0.000 2.320 353 G HA2 0.194 4.153 3.960 -0.002 0.000 0.296 353 G HA3 0.194 4.153 3.960 -0.002 0.000 0.296 353 G C -3.186 171.972 174.900 0.431 0.000 1.306 353 G CA -1.028 44.298 45.100 0.376 0.000 0.836 353 G HN 0.389 nan 8.290 nan 0.000 0.517 354 P HA 0.113 nan 4.420 nan 0.000 0.266 354 P C -0.009 177.369 177.300 0.130 0.000 1.195 354 P CA -0.210 63.003 63.100 0.188 0.000 0.768 354 P CB 0.528 32.308 31.700 0.133 0.000 0.838 355 N N 2.105 120.865 118.700 0.101 0.000 2.294 355 N HA 0.087 4.825 4.740 -0.002 0.000 0.248 355 N C -0.056 175.467 175.510 0.022 0.000 1.300 355 N CA -0.262 52.818 53.050 0.050 0.000 0.925 355 N CB 0.124 38.648 38.487 0.062 0.000 1.188 355 N HN 0.153 nan 8.380 nan 0.000 0.512 356 I N 1.864 122.452 120.570 0.030 0.000 2.683 356 I HA -0.046 4.123 4.170 -0.002 0.000 0.286 356 I C 0.588 176.780 176.117 0.124 0.000 1.175 356 I CA 0.272 61.635 61.300 0.106 0.000 1.429 356 I CB -0.887 37.224 38.000 0.184 0.000 1.371 356 I HN 0.524 nan 8.210 nan 0.000 0.569 357 M N 8.722 128.425 119.600 0.170 0.000 2.602 357 M HA 0.787 5.266 4.480 -0.002 0.000 0.312 357 M C -2.799 173.667 176.300 0.276 0.000 1.181 357 M CA -1.503 53.875 55.300 0.130 0.000 0.910 357 M CB 1.480 34.120 32.600 0.066 0.000 1.723 357 M HN 0.164 nan 8.290 nan 0.000 0.459 358 P HA 0.317 nan 4.420 nan 0.000 0.302 358 P C -1.270 175.855 177.300 -0.293 0.000 1.307 358 P CA -0.453 62.525 63.100 -0.202 0.000 0.754 358 P CB 0.483 31.954 31.700 -0.382 0.000 1.298 359 K N 0.161 120.379 120.400 -0.302 0.000 2.268 359 K HA 0.347 4.666 4.320 -0.002 0.000 0.276 359 K C -0.485 175.912 176.600 -0.338 0.000 1.080 359 K CA -0.220 55.942 56.287 -0.207 0.000 0.910 359 K CB -0.117 32.317 32.500 -0.110 0.000 1.163 359 K HN 0.283 nan 8.250 nan 0.000 0.465 360 F N 2.263 122.129 119.950 -0.140 0.000 2.412 360 F HA 0.075 4.601 4.527 -0.002 0.000 0.348 360 F C 1.701 177.454 175.800 -0.078 0.000 1.102 360 F CA -0.355 57.559 58.000 -0.143 0.000 1.196 360 F CB 0.951 39.840 39.000 -0.185 0.000 1.144 360 F HN 0.454 nan 8.300 nan 0.000 0.541 361 K N 1.943 122.397 120.400 0.091 0.000 1.991 361 K HA -0.094 4.225 4.320 -0.002 0.000 0.207 361 K C 1.389 178.024 176.600 0.059 0.000 1.045 361 K CA 1.608 57.922 56.287 0.045 0.000 0.937 361 K CB -0.035 32.473 32.500 0.014 0.000 0.720 361 K HN 0.508 nan 8.250 nan 0.000 0.438 362 N N 0.437 119.174 118.700 0.062 0.000 2.376 362 N HA -0.035 4.704 4.740 -0.002 0.000 0.177 362 N C -0.350 175.186 175.510 0.044 0.000 1.024 362 N CA 0.643 53.718 53.050 0.041 0.000 0.893 362 N CB 0.112 38.614 38.487 0.025 0.000 0.980 362 N HN 0.224 nan 8.380 nan 0.000 0.439 363 N N 1.328 120.060 118.700 0.054 0.000 2.765 363 N HA 0.222 4.961 4.740 -0.002 0.000 0.277 363 N C -2.798 172.761 175.510 0.082 0.000 1.750 363 N CA -0.879 52.190 53.050 0.031 0.000 0.827 363 N CB 1.798 40.243 38.487 -0.070 0.000 1.200 363 N HN 0.115 nan 8.380 nan 0.000 0.494 364 P HA 0.008 nan 4.420 nan 0.000 0.266 364 P C 0.832 178.293 177.300 0.268 0.000 1.195 364 P CA 0.230 63.449 63.100 0.198 0.000 0.768 364 P CB 0.894 32.669 31.700 0.126 0.000 0.838 365 G N 1.829 110.836 108.800 0.345 0.000 2.684 365 G HA2 0.391 4.350 3.960 -0.002 0.000 0.255 365 G HA3 0.391 4.350 3.960 -0.002 0.000 0.255 365 G C -0.530 174.473 174.900 0.171 0.000 1.219 365 G CA -0.204 45.195 45.100 0.498 0.000 0.901 365 G HN 0.756 nan 8.290 nan 0.000 0.548 366 Q N -1.450 118.298 119.800 -0.087 0.000 2.527 366 Q HA 0.334 4.673 4.340 -0.002 0.000 0.280 366 Q C -1.747 174.080 176.000 -0.288 0.000 0.977 366 Q CA -0.850 54.751 55.803 -0.337 0.000 0.837 366 Q CB 1.312 29.667 28.738 -0.638 0.000 1.454 366 Q HN 0.445 nan 8.270 nan 0.000 0.387 367 I N 4.034 124.487 120.570 -0.196 0.000 2.291 367 I HA 0.166 4.335 4.170 -0.002 0.000 0.292 367 I C 0.750 176.794 176.117 -0.121 0.000 1.064 367 I CA -0.473 60.695 61.300 -0.220 0.000 1.269 367 I CB 0.209 38.005 38.000 -0.341 0.000 1.418 367 I HN 0.706 nan 8.210 nan 0.000 0.485 368 W N 6.439 127.626 121.300 -0.187 0.000 3.013 368 W HA 0.354 5.013 4.660 -0.001 0.000 0.280 368 W C 0.179 176.683 176.519 -0.025 0.000 1.249 368 W CA -0.236 57.049 57.345 -0.101 0.000 1.577 368 W CB 0.298 29.718 29.460 -0.066 0.000 1.057 368 W HN 0.339 nan 8.180 nan 0.000 0.613 369 R N 0.621 120.599 120.500 -0.869 0.000 2.604 369 R HA 0.413 4.752 4.340 -0.002 0.000 0.270 369 R C 0.087 176.101 176.300 -0.478 0.000 1.052 369 R CA -0.190 55.440 56.100 -0.783 0.000 0.902 369 R CB 1.842 31.216 30.300 -1.543 0.000 1.233 369 R HN -0.002 nan 8.270 nan 0.000 0.455 370 G N 1.819 110.505 108.800 -0.191 0.000 2.621 370 G HA2 0.189 4.148 3.960 -0.002 0.000 0.271 370 G HA3 0.189 4.148 3.960 -0.002 0.000 0.271 370 G C 0.008 174.863 174.900 -0.076 0.000 1.236 370 G CA -0.701 44.388 45.100 -0.019 0.000 0.958 370 G HN 0.639 nan 8.290 nan 0.000 0.512 371 M N 1.548 121.165 119.600 0.028 0.000 2.284 371 M HA 0.134 4.613 4.480 -0.002 0.000 0.351 371 M C -1.973 174.391 176.300 0.107 0.000 1.443 371 M CA -0.863 54.482 55.300 0.075 0.000 1.031 371 M CB 0.736 33.409 32.600 0.122 0.000 1.893 371 M HN 0.157 nan 8.290 nan 0.000 0.456 372 P HA 0.173 nan 4.420 nan 0.000 0.277 372 P C -0.966 176.417 177.300 0.138 0.000 1.240 372 P CA -0.470 62.705 63.100 0.126 0.000 0.798 372 P CB 1.105 32.882 31.700 0.129 0.000 0.979 373 S N 0.213 115.955 115.700 0.070 0.000 2.600 373 S HA 0.069 4.538 4.470 -0.002 0.000 0.265 373 S C 0.073 174.677 174.600 0.006 0.000 1.325 373 S CA -0.193 58.039 58.200 0.053 0.000 1.002 373 S CB -0.281 62.943 63.200 0.040 0.000 0.921 373 S HN 0.502 nan 8.310 nan 0.000 0.554 374 H N 1.123 120.120 119.070 -0.122 0.000 3.226 374 H HA 0.296 4.851 4.556 -0.002 0.000 0.260 374 H C 1.319 176.556 175.328 -0.152 0.000 0.967 374 H CA 1.188 57.119 56.048 -0.196 0.000 1.435 374 H CB -0.625 29.055 29.762 -0.136 0.000 1.533 374 H HN 0.885 nan 8.280 nan 0.000 0.525 375 G N 4.407 113.062 108.800 -0.242 0.000 2.176 375 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.253 375 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.253 375 G C 1.376 176.198 174.900 -0.129 0.000 0.979 375 G CA 0.601 45.547 45.100 -0.257 0.000 0.641 375 G HN 0.692 nan 8.290 nan 0.000 0.530 376 M N 0.550 120.103 119.600 -0.078 0.000 2.240 376 M HA -0.185 4.294 4.480 -0.002 0.000 0.250 376 M C 1.541 177.843 176.300 0.004 0.000 1.075 376 M CA 3.021 58.309 55.300 -0.020 0.000 1.072 376 M CB -0.216 32.392 32.600 0.012 0.000 1.305 376 M HN 0.300 nan 8.290 nan 0.000 0.414 377 D N -1.922 118.489 120.400 0.018 0.000 2.398 377 D HA 0.084 4.723 4.640 -0.002 0.000 0.210 377 D C 1.463 177.772 176.300 0.014 0.000 1.094 377 D CA 0.486 54.519 54.000 0.055 0.000 0.839 377 D CB 0.126 41.013 40.800 0.146 0.000 0.963 377 D HN 0.412 nan 8.370 nan 0.000 0.506 378 T N 1.427 115.965 114.554 -0.027 0.000 2.597 378 T HA -0.228 4.121 4.350 -0.002 0.000 0.267 378 T C 2.165 176.846 174.700 -0.032 0.000 1.053 378 T CA 1.848 63.921 62.100 -0.045 0.000 1.165 378 T CB -0.133 68.688 68.868 -0.077 0.000 0.863 378 T HN 0.241 nan 8.240 nan 0.000 0.427 379 A N 1.205 124.008 122.820 -0.028 0.000 1.933 379 A HA 0.153 4.472 4.320 -0.002 0.000 0.218 379 A C 2.606 180.182 177.584 -0.013 0.000 1.175 379 A CA 1.882 53.906 52.037 -0.022 0.000 0.628 379 A CB -0.997 17.992 19.000 -0.018 0.000 0.814 379 A HN 0.541 nan 8.150 nan 0.000 0.444 380 A N -0.364 122.455 122.820 -0.001 0.000 1.930 380 A HA 0.025 4.344 4.320 -0.002 0.000 0.217 380 A C 2.077 179.653 177.584 -0.013 0.000 1.175 380 A CA 1.385 53.425 52.037 0.006 0.000 0.627 380 A CB -0.458 18.563 19.000 0.035 0.000 0.815 380 A HN 0.491 nan 8.150 nan 0.000 0.443 381 I N -0.610 119.948 120.570 -0.020 0.000 2.333 381 I HA -0.156 4.013 4.170 -0.002 0.000 0.246 381 I C 2.213 178.303 176.117 -0.045 0.000 1.106 381 I CA 0.780 62.055 61.300 -0.041 0.000 1.411 381 I CB -0.196 37.780 38.000 -0.040 0.000 1.082 381 I HN 0.246 nan 8.210 nan 0.000 0.420 382 L N 0.994 122.194 121.223 -0.038 0.000 2.156 382 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 382 L C 3.062 179.911 176.870 -0.035 0.000 1.095 382 L CA 1.445 56.261 54.840 -0.039 0.000 0.770 382 L CB -0.856 41.181 42.059 -0.036 0.000 0.914 382 L HN 0.203 nan 8.230 nan 0.000 0.439 383 K N 0.416 120.799 120.400 -0.028 0.000 2.155 383 K HA -0.114 4.205 4.320 -0.002 0.000 0.203 383 K C 1.853 178.437 176.600 -0.028 0.000 1.052 383 K CA 1.553 57.825 56.287 -0.024 0.000 0.948 383 K CB -1.979 30.511 32.500 -0.017 0.000 0.728 383 K HN 0.587 nan 8.250 nan 0.000 0.448 384 N N 0.544 119.223 118.700 -0.034 0.000 2.270 384 N HA 0.106 4.845 4.740 -0.002 0.000 0.181 384 N C 2.266 177.747 175.510 -0.047 0.000 1.016 384 N CA 2.052 55.077 53.050 -0.041 0.000 0.870 384 N CB -0.798 37.658 38.487 -0.051 0.000 0.979 384 N HN 0.766 nan 8.380 nan 0.000 0.431 385 I N -1.281 119.258 120.570 -0.052 0.000 3.001 385 I HA 0.503 4.672 4.170 -0.002 0.000 0.268 385 I C 2.173 178.263 176.117 -0.044 0.000 1.267 385 I CA 1.486 62.752 61.300 -0.057 0.000 1.472 385 I CB -1.242 36.716 38.000 -0.070 0.000 1.089 385 I HN 1.104 nan 8.210 nan 0.000 0.468 386 G N -2.981 105.798 108.800 -0.036 0.000 2.205 386 G HA2 0.273 4.232 3.960 -0.002 0.000 0.180 386 G HA3 0.273 4.232 3.960 -0.002 0.000 0.180 386 G C 0.162 175.048 174.900 -0.024 0.000 1.004 386 G CA 0.060 45.143 45.100 -0.028 0.000 0.670 386 G HN 2.129 nan 8.290 nan 0.000 0.496 387 Y N 0.591 120.875 120.300 -0.026 0.000 2.346 387 Y HA 0.813 5.361 4.550 -0.002 0.000 0.330 387 Y C 0.975 176.864 175.900 -0.019 0.000 1.178 387 Y CA 0.274 58.360 58.100 -0.023 0.000 1.331 387 Y CB 0.022 38.466 38.460 -0.026 0.000 1.253 387 Y HN 1.478 nan 8.280 nan 0.000 0.529 388 S N 1.120 116.810 115.700 -0.016 0.000 2.634 388 S HA 0.469 4.938 4.470 -0.002 0.000 0.261 388 S C 1.591 176.183 174.600 -0.014 0.000 1.271 388 S CA 0.220 58.412 58.200 -0.014 0.000 0.985 388 S CB -0.303 62.890 63.200 -0.011 0.000 0.968 388 S HN 1.649 nan 8.310 nan 0.000 0.568 389 E N -0.002 120.191 120.200 -0.012 0.000 2.028 389 E HA -0.124 4.225 4.350 -0.002 0.000 0.191 389 E C 2.201 178.793 176.600 -0.012 0.000 0.988 389 E CA 2.052 58.445 56.400 -0.012 0.000 0.799 389 E CB -2.043 27.651 29.700 -0.009 0.000 0.755 389 E HN 0.995 nan 8.360 nan 0.000 0.447 390 N N 0.893 119.587 118.700 -0.011 0.000 2.142 390 N HA -0.078 4.661 4.740 -0.002 0.000 0.186 390 N C 2.231 177.733 175.510 -0.012 0.000 1.023 390 N CA 2.423 55.466 53.050 -0.011 0.000 0.852 390 N CB -1.446 37.035 38.487 -0.009 0.000 0.998 390 N HN 0.774 nan 8.380 nan 0.000 0.424 391 D N -0.275 120.117 120.400 -0.013 0.000 2.149 391 D HA 0.160 4.799 4.640 -0.002 0.000 0.198 391 D C 2.136 178.426 176.300 -0.017 0.000 0.990 391 D CA 2.572 56.563 54.000 -0.014 0.000 0.839 391 D CB -0.951 39.841 40.800 -0.014 0.000 0.948 391 D HN 0.889 nan 8.370 nan 0.000 0.460 392 I N -0.294 120.265 120.570 -0.019 0.000 2.876 392 I HA 0.397 4.566 4.170 -0.002 0.000 0.264 392 I C 2.831 178.934 176.117 -0.024 0.000 1.204 392 I CA 1.959 63.245 61.300 -0.023 0.000 1.485 392 I CB -1.620 36.365 38.000 -0.025 0.000 1.103 392 I HN 0.638 nan 8.210 nan 0.000 0.446 393 Q N 0.464 120.252 119.800 -0.020 0.000 2.172 393 Q HA -0.097 4.242 4.340 -0.002 0.000 0.200 393 Q C 2.160 178.148 176.000 -0.019 0.000 0.964 393 Q CA 2.347 58.138 55.803 -0.020 0.000 0.855 393 Q CB -1.378 27.350 28.738 -0.016 0.000 0.918 393 Q HN 1.053 nan 8.270 nan 0.000 0.444 394 E N 0.202 120.392 120.200 -0.017 0.000 2.106 394 E HA 0.148 4.497 4.350 -0.002 0.000 0.192 394 E C 2.476 179.065 176.600 -0.019 0.000 0.984 394 E CA 2.144 58.535 56.400 -0.016 0.000 0.806 394 E CB -1.444 28.248 29.700 -0.013 0.000 0.750 394 E HN 1.229 nan 8.360 nan 0.000 0.458 395 L N 0.872 122.082 121.223 -0.022 0.000 2.012 395 L HA 0.210 4.549 4.340 -0.002 0.000 0.210 395 L C 3.331 180.183 176.870 -0.030 0.000 1.073 395 L CA 3.226 58.051 54.840 -0.025 0.000 0.748 395 L CB -1.788 40.254 42.059 -0.029 0.000 0.891 395 L HN 0.737 nan 8.230 nan 0.000 0.431 396 V N -0.804 119.090 119.914 -0.033 0.000 2.343 396 V HA -0.136 3.983 4.120 -0.002 0.000 0.247 396 V C 2.974 179.050 176.094 -0.030 0.000 1.051 396 V CA 3.793 66.071 62.300 -0.037 0.000 1.036 396 V CB -1.327 30.471 31.823 -0.040 0.000 0.654 396 V HN 0.824 nan 8.190 nan 0.000 0.451 397 S N 0.717 116.403 115.700 -0.023 0.000 2.348 397 S HA -0.114 4.355 4.470 -0.002 0.000 0.221 397 S C 2.171 176.761 174.600 -0.016 0.000 1.033 397 S CA 2.511 60.700 58.200 -0.018 0.000 1.010 397 S CB -0.584 62.607 63.200 -0.015 0.000 0.891 397 S HN 1.044 nan 8.310 nan 0.000 0.442 398 K N 0.891 121.282 120.400 -0.016 0.000 2.591 398 K HA 0.465 4.784 4.320 -0.002 0.000 0.197 398 K C 1.615 178.207 176.600 -0.015 0.000 1.026 398 K CA 0.906 57.185 56.287 -0.014 0.000 1.127 398 K CB -1.784 30.708 32.500 -0.012 0.000 0.871 398 K HN 1.736 nan 8.250 nan 0.000 0.507 399 G N -2.742 106.047 108.800 -0.018 0.000 2.189 399 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.267 399 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.267 399 G C 1.340 176.225 174.900 -0.024 0.000 0.975 399 G CA 1.031 46.120 45.100 -0.019 0.000 0.644 399 G HN 1.506 nan 8.290 nan 0.000 0.537 400 L N -1.621 119.586 121.223 -0.027 0.000 2.554 400 L HA 0.797 5.136 4.340 -0.002 0.000 0.226 400 L C 1.433 178.277 176.870 -0.044 0.000 1.137 400 L CA 2.062 56.883 54.840 -0.032 0.000 0.863 400 L CB -0.747 41.295 42.059 -0.028 0.000 0.985 400 L HN 2.147 nan 8.230 nan 0.000 0.451 401 A N -1.493 121.297 122.820 -0.050 0.000 2.574 401 A HA 0.770 5.089 4.320 -0.002 0.000 0.297 401 A C -0.195 177.336 177.584 -0.088 0.000 1.062 401 A CA 0.029 52.025 52.037 -0.068 0.000 0.686 401 A CB 0.674 19.637 19.000 -0.062 0.000 1.285 401 A HN 1.071 nan 8.150 nan 0.000 0.403 402 K N 0.734 121.053 120.400 -0.135 0.000 2.307 402 K HA 0.833 5.152 4.320 -0.002 0.000 0.263 402 K C -0.097 176.392 176.600 -0.185 0.000 0.973 402 K CA -0.013 56.162 56.287 -0.187 0.000 0.846 402 K CB 0.602 32.905 32.500 -0.328 0.000 1.100 402 K HN 2.296 nan 8.250 nan 0.000 0.438 403 V N 0.587 120.422 119.914 -0.132 0.000 3.336 403 V HA 0.759 4.877 4.120 -0.002 0.000 0.304 403 V C 0.805 176.834 176.094 -0.108 0.000 1.073 403 V CA -0.083 62.156 62.300 -0.101 0.000 1.074 403 V CB 0.215 31.999 31.823 -0.065 0.000 1.161 403 V HN 1.150 nan 8.190 nan 0.000 0.460 404 E N 1.611 121.767 120.200 -0.073 0.000 2.558 404 E HA 0.403 4.752 4.350 -0.002 0.000 0.255 404 E C 0.455 177.026 176.600 -0.048 0.000 0.968 404 E CA 0.550 56.917 56.400 -0.056 0.000 0.939 404 E CB -1.420 28.265 29.700 -0.025 0.000 0.921 404 E HN 1.958 nan 8.360 nan 0.000 0.477 405 D N 0.000 120.373 120.400 -0.045 0.000 6.856 405 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 405 D CA 0.000 53.981 54.000 -0.031 0.000 0.868 405 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683