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 3nr8_1_A DATA FIRST_RESID 422 DATA SEQUENCE DMISVFIGTW NMGSVPPPKN VTSWFTSKGL GKTLDEVTVT IPHDIYVFGT DATA SEQUENCE QENSVGDREW LDLLRGGLKE LTDLDYRPIA MQSLWNIKVA VLVKPEHENR DATA SEQUENCE ISHVSTSSVK TXXXXXXXXK GAVGVSFMFN GTSFGFVNCH LTSGNEKTAR DATA SEQUENCE RNQNYLDILR LLSLGDRQLN XXDISLRFTH LFWFGDLNYR LDMDIQEILN DATA SEQUENCE YISRKEFEPL LRVDQLNLER EKHKVFLRFS EEEISFPPTY RYERGSRDTY DATA SEQUENCE AWHKXXXXXX XTNVPSWCDR ILWKSYPETH IICNSYGCTD DIVTSDHSPV DATA SEQUENCE FGTFEVGVTS 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 422 D HA 0.000 nan 4.640 nan 0.000 0.175 422 D C 0.000 176.335 176.300 0.058 0.000 2.045 422 D CA 0.000 54.046 54.000 0.077 0.000 0.868 422 D CB 0.000 40.840 40.800 0.067 0.000 0.688 423 M N 1.729 121.351 119.600 0.037 0.000 2.518 423 M HA 0.529 5.009 4.480 0.001 0.000 0.300 423 M C -0.757 175.518 176.300 -0.042 0.000 1.175 423 M CA -0.834 54.469 55.300 0.006 0.000 0.890 423 M CB 3.353 35.966 32.600 0.021 0.000 1.710 423 M HN 0.002 nan 8.290 nan 0.000 0.453 424 I N -0.954 119.560 120.570 -0.094 0.000 2.686 424 I HA 0.668 4.838 4.170 0.001 0.000 0.295 424 I C -0.732 175.324 176.117 -0.102 0.000 1.114 424 I CA -0.776 60.434 61.300 -0.149 0.000 1.038 424 I CB 2.404 40.151 38.000 -0.422 0.000 1.238 424 I HN 0.684 nan 8.210 nan 0.000 0.420 425 S N 4.275 119.938 115.700 -0.062 0.000 2.489 425 S HA 0.668 5.139 4.470 0.001 0.000 0.277 425 S C -0.294 174.189 174.600 -0.195 0.000 1.230 425 S CA -0.642 57.517 58.200 -0.069 0.000 1.053 425 S CB 1.402 64.653 63.200 0.084 0.000 0.955 425 S HN 0.498 nan 8.310 nan 0.000 0.488 426 V N 4.142 123.892 119.914 -0.272 0.000 2.444 426 V HA 0.395 4.515 4.120 0.001 0.000 0.294 426 V C -0.862 174.944 176.094 -0.480 0.000 1.022 426 V CA -0.740 61.331 62.300 -0.381 0.000 0.850 426 V CB 1.079 32.689 31.823 -0.355 0.000 0.992 426 V HN 0.924 nan 8.190 nan 0.000 0.426 427 F N 6.562 126.016 119.950 -0.827 0.000 2.350 427 F HA 0.637 5.164 4.527 0.001 0.000 0.365 427 F C -0.197 175.172 175.800 -0.719 0.000 1.122 427 F CA -0.485 57.015 58.000 -0.832 0.000 1.139 427 F CB 0.614 38.962 39.000 -1.086 0.000 1.220 427 F HN 0.337 nan 8.300 nan 0.000 0.499 428 I N 5.097 125.214 120.570 -0.755 0.000 2.428 428 I HA 0.516 4.686 4.170 0.001 0.000 0.289 428 I C 0.536 176.102 176.117 -0.918 0.000 1.019 428 I CA -0.025 60.809 61.300 -0.776 0.000 1.351 428 I CB 1.293 38.948 38.000 -0.575 0.000 1.412 428 I HN 0.674 nan 8.210 nan 0.000 0.513 429 G N 2.845 111.283 108.800 -0.603 0.000 2.701 429 G HA2 0.604 4.564 3.960 0.001 0.000 0.300 429 G HA3 0.604 4.564 3.960 0.001 0.000 0.300 429 G C -1.351 173.867 174.900 0.530 0.000 1.410 429 G CA -0.465 44.592 45.100 -0.071 0.000 1.014 429 G HN 0.477 nan 8.290 nan 0.000 0.509 430 T N 0.818 115.850 114.554 0.796 0.000 2.991 430 T HA 0.584 4.934 4.350 0.001 0.000 0.303 430 T C -2.265 172.815 174.700 0.633 0.000 1.015 430 T CA -0.439 62.102 62.100 0.735 0.000 1.007 430 T CB 1.122 70.358 68.868 0.614 0.000 1.034 430 T HN 0.634 nan 8.240 nan 0.000 0.446 431 W N 6.303 127.764 121.300 0.267 0.000 3.132 431 W HA 0.475 5.135 4.660 0.001 0.000 0.337 431 W C -1.494 174.975 176.519 -0.083 0.000 1.082 431 W CA -1.241 56.080 57.345 -0.041 0.000 1.242 431 W CB 1.111 30.323 29.460 -0.413 0.000 1.354 431 W HN 0.566 nan 8.180 nan 0.000 0.461 432 N N 5.519 124.165 118.700 -0.090 0.000 2.406 432 N HA 0.123 4.863 4.740 0.001 0.000 0.251 432 N C 0.527 175.638 175.510 -0.666 0.000 1.069 432 N CA 0.196 52.954 53.050 -0.487 0.000 0.947 432 N CB 0.842 38.788 38.487 -0.903 0.000 1.111 432 N HN 0.657 nan 8.380 nan 0.000 0.497 433 M N 2.064 121.159 119.600 -0.840 0.000 2.618 433 M HA 0.114 4.594 4.480 0.001 0.000 0.240 433 M C 1.210 177.250 176.300 -0.434 0.000 1.123 433 M CA 0.242 54.906 55.300 -1.060 0.000 1.060 433 M CB 0.020 32.009 32.600 -1.019 0.000 1.535 433 M HN 0.741 nan 8.290 nan 0.000 0.507 434 G N 0.626 109.307 108.800 -0.199 0.000 2.225 434 G HA2 -0.297 3.663 3.960 0.001 0.000 0.267 434 G HA3 -0.297 3.663 3.960 0.001 0.000 0.267 434 G C 0.464 175.336 174.900 -0.047 0.000 1.024 434 G CA 0.273 45.360 45.100 -0.021 0.000 0.784 434 G HN 0.464 nan 8.290 nan 0.000 0.507 435 S N -3.290 112.350 115.700 -0.099 0.000 3.635 435 S HA -0.132 4.338 4.470 0.001 0.000 0.328 435 S C 0.548 175.108 174.600 -0.067 0.000 1.135 435 S CA 1.686 59.842 58.200 -0.073 0.000 0.942 435 S CB -1.838 61.345 63.200 -0.028 0.000 0.930 435 S HN 2.381 nan 8.310 nan 0.000 0.512 436 V N -3.510 116.347 119.914 -0.096 0.000 3.078 436 V HA 0.887 5.008 4.120 0.001 0.000 0.311 436 V C -2.813 173.226 176.094 -0.091 0.000 1.138 436 V CA -2.756 59.505 62.300 -0.065 0.000 1.007 436 V CB 1.660 33.467 31.823 -0.028 0.000 1.045 436 V HN -0.091 nan 8.190 nan 0.000 0.432 437 P HA 0.280 nan 4.420 nan 0.000 0.268 437 P C -2.639 174.661 177.300 -0.000 0.000 1.208 437 P CA -0.409 62.678 63.100 -0.021 0.000 0.777 437 P CB -0.292 31.416 31.700 0.014 0.000 0.875 438 P HA 0.284 nan 4.420 nan 0.000 0.279 438 P C -2.360 175.041 177.300 0.168 0.000 1.252 438 P CA -1.582 61.624 63.100 0.175 0.000 0.811 438 P CB -0.603 31.271 31.700 0.289 0.000 1.035 439 P HA 0.145 nan 4.420 nan 0.000 0.277 439 P C 0.976 178.316 177.300 0.066 0.000 1.276 439 P CA -0.160 63.001 63.100 0.102 0.000 0.788 439 P CB 0.249 31.999 31.700 0.084 0.000 1.114 440 K N 0.082 120.498 120.400 0.027 0.000 1.985 440 K HA -0.121 4.199 4.320 0.001 0.000 0.210 440 K C 1.230 177.809 176.600 -0.035 0.000 1.047 440 K CA 1.690 57.977 56.287 -0.000 0.000 0.932 440 K CB -1.021 31.474 32.500 -0.008 0.000 0.716 440 K HN 0.636 nan 8.250 nan 0.000 0.439 441 N N 1.156 119.829 118.700 -0.045 0.000 2.439 441 N HA 0.184 4.925 4.740 0.001 0.000 0.249 441 N C -0.232 175.213 175.510 -0.109 0.000 1.003 441 N CA 0.122 53.117 53.050 -0.090 0.000 0.942 441 N CB 1.634 40.078 38.487 -0.073 0.000 1.115 441 N HN 0.297 nan 8.380 nan 0.000 0.505 442 V N 1.266 121.057 119.914 -0.205 0.000 2.915 442 V HA 0.255 4.375 4.120 0.001 0.000 0.364 442 V C 1.151 177.045 176.094 -0.334 0.000 1.354 442 V CA -0.327 61.850 62.300 -0.205 0.000 1.213 442 V CB -0.358 31.405 31.823 -0.099 0.000 1.268 442 V HN 0.434 nan 8.190 nan 0.000 0.557 443 T N 0.485 114.876 114.554 -0.272 0.000 2.746 443 T HA -0.176 4.175 4.350 0.001 0.000 0.267 443 T C 2.074 176.743 174.700 -0.051 0.000 1.039 443 T CA 2.275 64.243 62.100 -0.220 0.000 1.142 443 T CB -0.213 68.576 68.868 -0.131 0.000 0.866 443 T HN 0.611 nan 8.240 nan 0.000 0.444 444 S N 0.249 115.944 115.700 -0.008 0.000 2.370 444 S HA -0.138 4.333 4.470 0.001 0.000 0.226 444 S C 1.538 176.249 174.600 0.185 0.000 1.033 444 S CA 1.097 59.327 58.200 0.051 0.000 1.011 444 S CB -0.439 62.783 63.200 0.038 0.000 0.852 444 S HN 0.638 nan 8.310 nan 0.000 0.457 445 W N 1.971 123.312 121.300 0.068 0.000 2.333 445 W HA -0.112 4.548 4.660 0.001 0.000 0.316 445 W C 1.550 178.406 176.519 0.562 0.000 1.215 445 W CA 0.905 58.448 57.345 0.330 0.000 1.278 445 W CB -0.921 28.740 29.460 0.334 0.000 1.154 445 W HN 0.248 nan 8.180 nan 0.000 0.486 446 F N 0.323 120.355 119.950 0.136 0.000 2.234 446 F HA -0.081 4.447 4.527 0.001 0.000 0.299 446 F C 2.486 178.245 175.800 -0.068 0.000 1.087 446 F CA 1.890 59.755 58.000 -0.224 0.000 1.340 446 F CB -1.659 37.176 39.000 -0.274 0.000 1.031 446 F HN -0.046 nan 8.300 nan 0.000 0.500 447 T N -4.446 110.208 114.554 0.166 0.000 3.145 447 T HA 0.172 4.522 4.350 0.001 0.000 0.255 447 T C 0.726 175.373 174.700 -0.087 0.000 1.039 447 T CA 0.339 62.470 62.100 0.053 0.000 0.928 447 T CB -0.338 68.534 68.868 0.007 0.000 1.029 447 T HN 0.010 nan 8.240 nan 0.000 0.554 448 S N 0.814 116.321 115.700 -0.322 0.000 3.559 448 S HA -0.148 4.323 4.470 0.001 0.000 0.369 448 S C 0.064 174.235 174.600 -0.715 0.000 0.987 448 S CA 0.527 58.011 58.200 -1.192 0.000 1.187 448 S CB -1.380 61.403 63.200 -0.696 0.000 0.914 448 S HN 0.722 nan 8.310 nan 0.000 0.480 449 K N 0.186 120.365 120.400 -0.368 0.000 2.098 449 K HA 0.702 5.023 4.320 0.001 0.000 0.258 449 K C 0.990 177.645 176.600 0.092 0.000 0.973 449 K CA 0.404 56.643 56.287 -0.080 0.000 0.898 449 K CB 1.485 33.970 32.500 -0.025 0.000 1.057 449 K HN 0.386 nan 8.250 nan 0.000 0.447 450 G N 1.033 109.923 108.800 0.150 0.000 2.178 450 G HA2 -0.074 3.887 3.960 0.001 0.000 0.147 450 G HA3 -0.074 3.887 3.960 0.001 0.000 0.147 450 G C -1.540 173.479 174.900 0.197 0.000 1.245 450 G CA -0.900 44.314 45.100 0.190 0.000 1.275 450 G HN 0.406 nan 8.290 nan 0.000 0.491 451 L N 1.250 122.592 121.223 0.198 0.000 2.333 451 L HA 0.741 5.081 4.340 0.001 0.000 0.269 451 L C 0.998 177.979 176.870 0.185 0.000 1.010 451 L CA 0.106 55.064 54.840 0.196 0.000 0.818 451 L CB 1.405 43.590 42.059 0.210 0.000 1.306 451 L HN 2.266 nan 8.230 nan 0.000 0.430 452 G N 1.534 110.489 108.800 0.259 0.000 2.384 452 G HA2 -0.181 3.780 3.960 0.001 0.000 0.200 452 G HA3 -0.181 3.780 3.960 0.001 0.000 0.200 452 G C -0.844 174.203 174.900 0.244 0.000 1.205 452 G CA -0.565 44.716 45.100 0.301 0.000 1.116 452 G HN 0.610 nan 8.290 nan 0.000 0.547 453 K N 1.882 122.427 120.400 0.242 0.000 2.171 453 K HA 0.503 4.823 4.320 0.001 0.000 0.274 453 K C 0.842 177.591 176.600 0.248 0.000 1.110 453 K CA 0.503 56.919 56.287 0.214 0.000 0.952 453 K CB -0.433 32.194 32.500 0.211 0.000 1.309 453 K HN 0.830 nan 8.250 nan 0.000 0.414 454 T N 0.636 115.319 114.554 0.215 0.000 2.912 454 T HA 0.356 4.706 4.350 0.001 0.000 0.280 454 T C -0.038 174.721 174.700 0.099 0.000 0.989 454 T CA -1.053 61.168 62.100 0.201 0.000 0.995 454 T CB 1.078 70.049 68.868 0.173 0.000 1.077 454 T HN 0.264 nan 8.240 nan 0.000 0.531 455 L N 2.111 123.350 121.223 0.028 0.000 2.375 455 L HA 0.425 4.765 4.340 0.001 0.000 0.271 455 L C 0.036 176.915 176.870 0.015 0.000 1.107 455 L CA -0.082 54.767 54.840 0.015 0.000 0.806 455 L CB 0.899 42.952 42.059 -0.010 0.000 1.146 455 L HN 0.970 nan 8.230 nan 0.000 0.447 456 D N 0.551 120.963 120.400 0.020 0.000 2.348 456 D HA 0.140 4.780 4.640 0.001 0.000 0.249 456 D C 0.030 176.334 176.300 0.007 0.000 1.110 456 D CA -0.399 53.611 54.000 0.018 0.000 0.967 456 D CB 0.536 41.349 40.800 0.021 0.000 1.139 456 D HN 0.559 nan 8.370 nan 0.000 0.466 457 E N -0.252 119.951 120.200 0.006 0.000 2.485 457 E HA 0.006 4.356 4.350 0.001 0.000 0.194 457 E C 0.751 177.349 176.600 -0.003 0.000 1.098 457 E CA 0.027 56.426 56.400 -0.001 0.000 0.878 457 E CB 0.178 29.879 29.700 0.001 0.000 0.939 457 E HN 0.332 nan 8.360 nan 0.000 0.503 458 V N -0.014 119.900 119.914 0.000 0.000 3.151 458 V HA -0.105 4.015 4.120 0.001 0.000 0.241 458 V C 2.287 178.379 176.094 -0.004 0.000 1.173 458 V CA 1.611 63.910 62.300 -0.001 0.000 1.154 458 V CB 0.539 32.365 31.823 0.004 0.000 0.898 458 V HN 0.359 nan 8.190 nan 0.000 0.473 459 T N -0.686 113.868 114.554 0.000 0.000 3.051 459 T HA -0.043 4.308 4.350 0.001 0.000 0.255 459 T C 1.882 176.573 174.700 -0.016 0.000 1.085 459 T CA 1.157 63.258 62.100 0.002 0.000 1.109 459 T CB -0.017 68.861 68.868 0.018 0.000 0.921 459 T HN 0.344 nan 8.240 nan 0.000 0.488 460 V N 2.099 122.001 119.914 -0.021 0.000 2.332 460 V HA -0.208 3.912 4.120 0.001 0.000 0.248 460 V C 2.782 178.825 176.094 -0.086 0.000 1.055 460 V CA 2.389 64.657 62.300 -0.053 0.000 1.038 460 V CB -2.292 29.510 31.823 -0.035 0.000 0.651 460 V HN 0.673 nan 8.190 nan 0.000 0.450 461 T N -1.358 113.165 114.554 -0.051 0.000 2.929 461 T HA 0.036 4.386 4.350 0.001 0.000 0.271 461 T C 0.865 175.534 174.700 -0.053 0.000 1.085 461 T CA 0.839 62.912 62.100 -0.045 0.000 1.125 461 T CB -0.774 68.078 68.868 -0.026 0.000 0.874 461 T HN 0.377 nan 8.240 nan 0.000 0.494 462 I N 3.928 124.461 120.570 -0.062 0.000 2.322 462 I HA 0.365 4.535 4.170 0.001 0.000 0.292 462 I C -2.405 173.641 176.117 -0.118 0.000 1.060 462 I CA -3.617 57.650 61.300 -0.055 0.000 1.309 462 I CB 0.298 38.282 38.000 -0.026 0.000 1.415 462 I HN 0.088 nan 8.210 nan 0.000 0.492 463 P HA 0.174 nan 4.420 nan 0.000 0.275 463 P C -0.168 177.117 177.300 -0.026 0.000 1.228 463 P CA -0.103 62.962 63.100 -0.059 0.000 0.786 463 P CB 0.385 32.163 31.700 0.130 0.000 0.927 464 H N 1.153 120.262 119.070 0.064 0.000 2.757 464 H HA 0.050 4.606 4.556 0.001 0.000 0.370 464 H C 1.007 176.350 175.328 0.026 0.000 1.172 464 H CA 0.387 56.322 56.048 -0.188 0.000 1.426 464 H CB 0.438 29.729 29.762 -0.784 0.000 1.438 464 H HN 0.489 nan 8.280 nan 0.000 0.612 465 D N 0.924 121.403 120.400 0.131 0.000 2.194 465 D HA 0.054 4.694 4.640 0.001 0.000 0.204 465 D C 0.562 177.013 176.300 0.250 0.000 0.964 465 D CA 1.215 55.362 54.000 0.245 0.000 0.846 465 D CB 0.815 41.730 40.800 0.192 0.000 0.962 465 D HN 0.352 nan 8.370 nan 0.000 0.490 466 I N -0.226 120.339 120.570 -0.009 0.000 2.647 466 I HA 0.243 4.413 4.170 0.001 0.000 0.295 466 I C -1.318 174.600 176.117 -0.331 0.000 1.078 466 I CA -0.849 60.405 61.300 -0.076 0.000 1.048 466 I CB 2.331 40.216 38.000 -0.193 0.000 1.239 466 I HN -0.247 nan 8.210 nan 0.000 0.421 467 Y N 4.347 124.447 120.300 -0.334 0.000 2.350 467 Y HA 0.576 5.126 4.550 0.001 0.000 0.338 467 Y C -0.424 175.054 175.900 -0.705 0.000 0.961 467 Y CA -0.856 56.868 58.100 -0.626 0.000 1.100 467 Y CB 2.219 40.155 38.460 -0.873 0.000 1.179 467 Y HN 0.113 nan 8.280 nan 0.000 0.454 468 V N 5.187 124.690 119.914 -0.685 0.000 2.407 468 V HA 0.398 4.518 4.120 0.001 0.000 0.291 468 V C -1.032 174.724 176.094 -0.564 0.000 1.018 468 V CA -0.987 60.961 62.300 -0.587 0.000 0.842 468 V CB 0.796 32.177 31.823 -0.736 0.000 0.996 468 V HN 0.493 nan 8.190 nan 0.000 0.426 469 F N 2.711 122.696 119.950 0.059 0.000 2.427 469 F HA 0.754 5.281 4.527 0.001 0.000 0.348 469 F C 0.793 176.944 175.800 0.585 0.000 1.125 469 F CA -0.565 57.606 58.000 0.284 0.000 0.989 469 F CB 2.045 41.176 39.000 0.219 0.000 1.165 469 F HN 0.536 nan 8.300 nan 0.000 0.442 470 G N 1.363 110.668 108.800 0.841 0.000 2.416 470 G HA2 0.624 4.584 3.960 0.001 0.000 0.324 470 G HA3 0.624 4.584 3.960 0.001 0.000 0.324 470 G C -0.791 174.508 174.900 0.665 0.000 1.194 470 G CA -0.630 44.946 45.100 0.794 0.000 0.922 470 G HN 0.628 nan 8.290 nan 0.000 0.467 471 T N -0.473 114.308 114.554 0.378 0.000 2.888 471 T HA 0.624 4.975 4.350 0.001 0.000 0.288 471 T C 0.251 174.928 174.700 -0.038 0.000 1.063 471 T CA -0.737 61.449 62.100 0.143 0.000 1.010 471 T CB 2.460 71.307 68.868 -0.034 0.000 1.214 471 T HN 0.308 nan 8.240 nan 0.000 0.533 472 Q N -0.677 119.010 119.800 -0.188 0.000 2.279 472 Q HA 0.306 4.646 4.340 0.001 0.000 0.261 472 Q C 0.114 175.962 176.000 -0.254 0.000 0.796 472 Q CA 0.079 55.725 55.803 -0.262 0.000 0.971 472 Q CB 1.085 29.511 28.738 -0.521 0.000 1.179 472 Q HN 0.808 nan 8.270 nan 0.000 0.505 473 E N 0.917 120.949 120.200 -0.280 0.000 3.846 473 E HA 0.191 4.542 4.350 0.001 0.000 0.216 473 E C -0.896 175.569 176.600 -0.226 0.000 1.092 473 E CA -0.290 56.001 56.400 -0.181 0.000 1.370 473 E CB 0.417 30.038 29.700 -0.131 0.000 1.227 473 E HN 0.021 nan 8.360 nan 0.000 0.442 474 N N 1.100 119.647 118.700 -0.255 0.000 2.402 474 N HA 0.010 4.750 4.740 0.001 0.000 0.252 474 N C 0.493 175.875 175.510 -0.212 0.000 1.118 474 N CA 0.034 52.890 53.050 -0.322 0.000 0.945 474 N CB 0.950 39.133 38.487 -0.506 0.000 1.147 474 N HN 0.093 nan 8.380 nan 0.000 0.495 475 S N 1.137 116.738 115.700 -0.165 0.000 2.562 475 S HA 0.060 4.530 4.470 0.001 0.000 0.221 475 S C 0.885 175.446 174.600 -0.066 0.000 0.975 475 S CA -0.351 57.795 58.200 -0.090 0.000 0.918 475 S CB 0.178 63.336 63.200 -0.070 0.000 0.772 475 S HN 0.232 nan 8.310 nan 0.000 0.531 476 V N 2.531 122.389 119.914 -0.092 0.000 2.583 476 V HA 0.545 4.665 4.120 0.001 0.000 0.287 476 V C 1.237 177.333 176.094 0.003 0.000 1.051 476 V CA -0.615 61.675 62.300 -0.017 0.000 1.010 476 V CB 0.727 32.575 31.823 0.041 0.000 0.988 476 V HN 0.436 nan 8.190 nan 0.000 0.478 477 G N 2.300 111.133 108.800 0.054 0.000 2.554 477 G HA2 0.060 4.020 3.960 0.001 0.000 0.238 477 G HA3 0.060 4.020 3.960 0.001 0.000 0.238 477 G C 0.617 175.600 174.900 0.139 0.000 1.259 477 G CA -0.255 44.889 45.100 0.074 0.000 0.843 477 G HN 0.807 nan 8.290 nan 0.000 0.582 478 D N 1.650 122.132 120.400 0.138 0.000 2.149 478 D HA -0.191 4.449 4.640 0.001 0.000 0.194 478 D C 2.886 179.337 176.300 0.252 0.000 1.001 478 D CA 2.032 56.170 54.000 0.231 0.000 0.849 478 D CB -0.077 40.821 40.800 0.163 0.000 0.939 478 D HN 0.547 nan 8.370 nan 0.000 0.449 479 R N 1.369 121.962 120.500 0.155 0.000 2.062 479 R HA -0.088 4.252 4.340 0.001 0.000 0.231 479 R C 2.211 178.580 176.300 0.114 0.000 1.136 479 R CA 1.688 57.855 56.100 0.111 0.000 0.948 479 R CB -1.454 28.889 30.300 0.073 0.000 0.845 479 R HN 0.329 nan 8.270 nan 0.000 0.430 480 E N -1.070 119.206 120.200 0.127 0.000 2.114 480 E HA -0.247 4.103 4.350 0.001 0.000 0.199 480 E C 1.944 178.649 176.600 0.175 0.000 1.008 480 E CA 1.590 58.065 56.400 0.125 0.000 0.810 480 E CB -0.248 29.527 29.700 0.125 0.000 0.739 480 E HN 0.772 nan 8.360 nan 0.000 0.456 481 W N 1.107 122.419 121.300 0.020 0.000 2.407 481 W HA -0.131 4.530 4.660 0.001 0.000 0.305 481 W C 2.028 178.553 176.519 0.010 0.000 1.196 481 W CA 0.806 58.166 57.345 0.024 0.000 1.311 481 W CB -0.609 28.875 29.460 0.040 0.000 1.135 481 W HN 0.060 nan 8.180 nan 0.000 0.514 482 L N 1.314 122.453 121.223 -0.139 0.000 2.191 482 L HA -0.176 4.164 4.340 0.001 0.000 0.212 482 L C 1.768 178.500 176.870 -0.230 0.000 1.103 482 L CA 2.352 56.988 54.840 -0.339 0.000 0.769 482 L CB -1.076 40.898 42.059 -0.141 0.000 0.908 482 L HN -0.144 nan 8.230 nan 0.000 0.438 483 D N -0.523 119.815 120.400 -0.103 0.000 2.123 483 D HA -0.190 4.450 4.640 0.001 0.000 0.196 483 D C 2.247 178.490 176.300 -0.096 0.000 0.992 483 D CA 1.649 55.606 54.000 -0.072 0.000 0.833 483 D CB -0.156 40.635 40.800 -0.016 0.000 0.954 483 D HN 0.375 nan 8.370 nan 0.000 0.455 484 L N -0.091 121.073 121.223 -0.098 0.000 2.109 484 L HA -0.061 4.280 4.340 0.001 0.000 0.207 484 L C 2.455 179.234 176.870 -0.152 0.000 1.086 484 L CA 0.438 55.233 54.840 -0.076 0.000 0.760 484 L CB -0.255 41.815 42.059 0.017 0.000 0.910 484 L HN 0.044 nan 8.230 nan 0.000 0.437 485 L N -0.650 120.369 121.223 -0.340 0.000 2.027 485 L HA -0.187 4.153 4.340 0.001 0.000 0.206 485 L C 2.853 179.520 176.870 -0.337 0.000 1.074 485 L CA 1.242 55.785 54.840 -0.495 0.000 0.745 485 L CB -0.528 41.014 42.059 -0.861 0.000 0.898 485 L HN 0.219 nan 8.230 nan 0.000 0.433 486 R N 0.120 120.468 120.500 -0.252 0.000 2.075 486 R HA -0.114 4.226 4.340 0.001 0.000 0.232 486 R C 2.222 178.458 176.300 -0.106 0.000 1.126 486 R CA 1.400 57.407 56.100 -0.156 0.000 0.963 486 R CB -0.337 29.898 30.300 -0.109 0.000 0.858 486 R HN 0.418 nan 8.270 nan 0.000 0.435 487 G N -0.831 107.913 108.800 -0.094 0.000 2.396 487 G HA2 -0.150 3.810 3.960 0.001 0.000 0.214 487 G HA3 -0.150 3.810 3.960 0.001 0.000 0.214 487 G C 1.434 176.299 174.900 -0.058 0.000 1.166 487 G CA 0.604 45.667 45.100 -0.062 0.000 0.793 487 G HN 0.478 nan 8.290 nan 0.000 0.533 488 G N 0.993 109.759 108.800 -0.056 0.000 2.422 488 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 488 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 488 G C 1.784 176.690 174.900 0.011 0.000 1.146 488 G CA 0.665 45.748 45.100 -0.029 0.000 0.769 488 G HN 0.409 nan 8.290 nan 0.000 0.547 489 L N -0.167 121.019 121.223 -0.060 0.000 2.093 489 L HA -0.043 4.298 4.340 0.001 0.000 0.208 489 L C 2.797 179.620 176.870 -0.078 0.000 1.085 489 L CA 1.374 56.084 54.840 -0.217 0.000 0.755 489 L CB -0.273 41.495 42.059 -0.486 0.000 0.904 489 L HN 0.186 nan 8.230 nan 0.000 0.435 490 K N 0.488 120.868 120.400 -0.034 0.000 1.985 490 K HA -0.200 4.120 4.320 0.001 0.000 0.210 490 K C 2.031 178.620 176.600 -0.018 0.000 1.047 490 K CA 1.511 57.795 56.287 -0.006 0.000 0.932 490 K CB -0.240 32.251 32.500 -0.016 0.000 0.716 490 K HN 0.049 nan 8.250 nan 0.000 0.439 491 E N 0.053 120.234 120.200 -0.032 0.000 2.130 491 E HA -0.192 4.158 4.350 0.001 0.000 0.196 491 E C 1.924 178.502 176.600 -0.035 0.000 0.998 491 E CA 1.213 57.591 56.400 -0.036 0.000 0.806 491 E CB -0.174 29.497 29.700 -0.048 0.000 0.738 491 E HN 0.256 nan 8.360 nan 0.000 0.459 492 L N 0.091 121.291 121.223 -0.038 0.000 2.209 492 L HA -0.057 4.284 4.340 0.001 0.000 0.207 492 L C 2.262 179.118 176.870 -0.024 0.000 1.094 492 L CA 1.980 56.798 54.840 -0.037 0.000 0.790 492 L CB -0.180 41.859 42.059 -0.032 0.000 0.932 492 L HN 0.161 nan 8.230 nan 0.000 0.447 493 T N -6.714 107.836 114.554 -0.006 0.000 2.955 493 T HA 0.168 4.519 4.350 0.001 0.000 0.251 493 T C 0.944 175.662 174.700 0.029 0.000 1.002 493 T CA 0.502 62.624 62.100 0.036 0.000 0.970 493 T CB 0.160 69.118 68.868 0.150 0.000 1.091 493 T HN 0.196 nan 8.240 nan 0.000 0.495 494 D N -0.410 119.999 120.400 0.014 0.000 3.028 494 D HA -0.105 4.535 4.640 0.001 0.000 0.207 494 D C -1.008 175.286 176.300 -0.010 0.000 1.100 494 D CA 0.469 54.467 54.000 -0.004 0.000 0.995 494 D CB -1.446 39.345 40.800 -0.014 0.000 1.108 494 D HN 0.387 nan 8.370 nan 0.000 0.421 495 L N 1.167 122.399 121.223 0.015 0.000 2.325 495 L HA 0.391 4.732 4.340 0.001 0.000 0.278 495 L C 0.015 176.881 176.870 -0.006 0.000 1.023 495 L CA -0.565 54.244 54.840 -0.052 0.000 0.811 495 L CB 1.463 43.411 42.059 -0.186 0.000 1.249 495 L HN -0.094 nan 8.230 nan 0.000 0.431 496 D N 2.885 123.246 120.400 -0.066 0.000 2.383 496 D HA 0.071 4.711 4.640 0.001 0.000 0.245 496 D C -0.432 175.824 176.300 -0.074 0.000 1.263 496 D CA 0.176 54.153 54.000 -0.039 0.000 0.936 496 D CB -0.111 40.656 40.800 -0.055 0.000 1.053 496 D HN 0.261 nan 8.370 nan 0.000 0.507 497 Y N 1.721 121.962 120.300 -0.099 0.000 2.425 497 Y HA -0.009 4.541 4.550 0.001 0.000 0.331 497 Y C 1.545 177.391 175.900 -0.089 0.000 1.157 497 Y CA -0.236 57.808 58.100 -0.094 0.000 1.372 497 Y CB 0.765 39.154 38.460 -0.118 0.000 1.253 497 Y HN 0.181 nan 8.280 nan 0.000 0.536 498 R N 5.762 126.277 120.500 0.025 0.000 2.294 498 R HA 0.471 4.811 4.340 0.001 0.000 0.319 498 R C -3.121 173.175 176.300 -0.008 0.000 0.984 498 R CA -2.109 53.984 56.100 -0.012 0.000 0.861 498 R CB 0.902 31.171 30.300 -0.051 0.000 1.104 498 R HN 0.264 nan 8.270 nan 0.000 0.451 499 P HA 0.023 nan 4.420 nan 0.000 0.271 499 P C 0.141 177.409 177.300 -0.053 0.000 1.216 499 P CA -0.306 62.772 63.100 -0.036 0.000 0.771 499 P CB 0.814 32.490 31.700 -0.039 0.000 0.864 500 I N 1.105 121.627 120.570 -0.080 0.000 3.339 500 I HA 0.226 4.396 4.170 0.001 0.000 0.285 500 I C 0.985 177.072 176.117 -0.050 0.000 1.201 500 I CA 0.478 61.705 61.300 -0.121 0.000 1.434 500 I CB -0.299 37.522 38.000 -0.298 0.000 1.152 500 I HN 0.350 nan 8.210 nan 0.000 0.443 501 A N 0.858 123.678 122.820 0.001 0.000 2.589 501 A HA 0.709 5.029 4.320 0.001 0.000 0.296 501 A C -0.994 176.647 177.584 0.095 0.000 1.062 501 A CA -0.413 51.665 52.037 0.067 0.000 0.686 501 A CB 2.215 21.293 19.000 0.129 0.000 1.282 501 A HN 0.096 nan 8.150 nan 0.000 0.404 502 M N 1.556 121.223 119.600 0.111 0.000 2.378 502 M HA 0.696 5.176 4.480 0.001 0.000 0.289 502 M C -1.734 174.653 176.300 0.145 0.000 1.136 502 M CA -0.368 55.027 55.300 0.158 0.000 0.917 502 M CB 2.197 34.896 32.600 0.166 0.000 1.669 502 M HN 0.868 nan 8.290 nan 0.000 0.461 503 Q N 2.462 122.363 119.800 0.167 0.000 2.315 503 Q HA 0.761 5.102 4.340 0.001 0.000 0.273 503 Q C -1.972 174.088 176.000 0.099 0.000 1.053 503 Q CA -0.436 55.432 55.803 0.107 0.000 0.817 503 Q CB 2.435 31.224 28.738 0.086 0.000 1.326 503 Q HN 0.773 nan 8.270 nan 0.000 0.423 504 S N 2.586 118.307 115.700 0.035 0.000 2.569 504 S HA 0.837 5.307 4.470 0.001 0.000 0.280 504 S C -1.595 172.947 174.600 -0.096 0.000 1.111 504 S CA -0.867 57.328 58.200 -0.010 0.000 0.887 504 S CB 1.644 64.842 63.200 -0.004 0.000 1.095 504 S HN 0.737 nan 8.310 nan 0.000 0.476 505 L N 2.413 123.565 121.223 -0.117 0.000 2.529 505 L HA 0.515 4.855 4.340 0.001 0.000 0.258 505 L C -0.482 176.288 176.870 -0.167 0.000 1.032 505 L CA -0.194 54.480 54.840 -0.277 0.000 0.899 505 L CB -0.617 41.330 42.059 -0.187 0.000 1.174 505 L HN 1.117 nan 8.230 nan 0.000 0.458 506 W N 2.046 123.346 121.300 -0.000 0.000 2.388 506 W HA -0.464 4.196 4.660 0.001 0.000 0.302 506 W C 1.001 177.498 176.519 -0.036 0.000 1.799 506 W CA 1.642 58.981 57.345 -0.010 0.000 1.908 506 W CB -1.114 28.345 29.460 -0.001 0.000 0.927 506 W HN 0.542 nan 8.180 nan 0.000 0.459 507 N N 0.392 119.233 118.700 0.235 0.000 2.236 507 N HA 0.279 5.019 4.740 0.001 0.000 0.196 507 N C -0.199 175.297 175.510 -0.023 0.000 1.114 507 N CA 0.349 53.429 53.050 0.050 0.000 0.859 507 N CB 0.116 38.623 38.487 0.033 0.000 0.982 507 N HN 0.081 nan 8.380 nan 0.000 0.493 508 I N 1.391 121.986 120.570 0.040 0.000 2.352 508 I HA 0.179 4.349 4.170 0.001 0.000 0.290 508 I C -0.224 175.873 176.117 -0.034 0.000 1.036 508 I CA -0.099 61.208 61.300 0.010 0.000 1.336 508 I CB 0.675 38.724 38.000 0.082 0.000 1.407 508 I HN -0.132 nan 8.210 nan 0.000 0.497 509 K N 5.877 126.233 120.400 -0.073 0.000 2.535 509 K HA 0.643 4.964 4.320 0.001 0.000 0.251 509 K C -1.565 175.137 176.600 0.170 0.000 0.942 509 K CA -0.765 55.484 56.287 -0.063 0.000 0.798 509 K CB 3.112 35.368 32.500 -0.407 0.000 1.267 509 K HN 0.286 nan 8.250 nan 0.000 0.434 510 V N 1.446 121.564 119.914 0.339 0.000 2.680 510 V HA 0.853 4.973 4.120 0.001 0.000 0.309 510 V C -1.424 174.975 176.094 0.509 0.000 1.052 510 V CA -0.398 62.197 62.300 0.493 0.000 0.908 510 V CB 1.659 33.695 31.823 0.355 0.000 1.001 510 V HN 0.950 nan 8.190 nan 0.000 0.431 511 A N 5.502 128.613 122.820 0.484 0.000 2.381 511 A HA 0.803 5.124 4.320 0.001 0.000 0.299 511 A C -1.360 176.309 177.584 0.141 0.000 1.049 511 A CA -0.479 51.702 52.037 0.240 0.000 0.715 511 A CB 1.914 20.913 19.000 -0.003 0.000 1.222 511 A HN 0.871 nan 8.150 nan 0.000 0.428 512 V N 3.330 123.278 119.914 0.056 0.000 2.398 512 V HA 0.518 4.638 4.120 0.001 0.000 0.286 512 V C -0.575 175.492 176.094 -0.044 0.000 1.026 512 V CA -0.244 62.026 62.300 -0.050 0.000 0.868 512 V CB 0.950 32.749 31.823 -0.039 0.000 0.982 512 V HN 0.738 nan 8.190 nan 0.000 0.443 513 L N 5.441 126.643 121.223 -0.035 0.000 2.342 513 L HA 0.765 5.105 4.340 0.001 0.000 0.271 513 L C -0.365 176.573 176.870 0.114 0.000 1.008 513 L CA -0.453 54.402 54.840 0.024 0.000 0.818 513 L CB 2.115 44.186 42.059 0.021 0.000 1.296 513 L HN 0.358 nan 8.230 nan 0.000 0.427 514 V N 1.406 121.427 119.914 0.179 0.000 2.789 514 V HA 0.371 4.492 4.120 0.001 0.000 0.311 514 V C -0.115 176.068 176.094 0.148 0.000 1.073 514 V CA -1.176 61.248 62.300 0.207 0.000 0.921 514 V CB 2.317 34.173 31.823 0.054 0.000 1.009 514 V HN 0.613 nan 8.190 nan 0.000 0.426 515 K N 4.708 125.109 120.400 0.002 0.000 2.527 515 K HA 0.035 4.355 4.320 0.001 0.000 0.278 515 K C -1.577 174.789 176.600 -0.390 0.000 0.981 515 K CA -0.825 55.116 56.287 -0.576 0.000 1.009 515 K CB 0.728 32.925 32.500 -0.506 0.000 0.895 515 K HN 0.370 nan 8.250 nan 0.000 0.493 516 P HA -0.284 nan 4.420 nan 0.000 0.218 516 P C 0.760 177.934 177.300 -0.211 0.000 1.154 516 P CA 1.691 64.638 63.100 -0.255 0.000 0.872 516 P CB 0.076 31.631 31.700 -0.241 0.000 0.790 517 E N -2.020 118.010 120.200 -0.283 0.000 2.268 517 E HA -0.201 4.149 4.350 0.001 0.000 0.195 517 E C 1.132 177.660 176.600 -0.120 0.000 0.995 517 E CA 0.960 57.228 56.400 -0.219 0.000 0.836 517 E CB -0.838 28.709 29.700 -0.254 0.000 0.763 517 E HN 0.399 nan 8.360 nan 0.000 0.491 518 H N 0.691 119.728 119.070 -0.055 0.000 2.539 518 H HA 0.117 4.674 4.556 0.001 0.000 0.267 518 H C 1.521 176.752 175.328 -0.161 0.000 0.982 518 H CA 0.727 56.732 56.048 -0.071 0.000 1.146 518 H CB 0.086 29.919 29.762 0.119 0.000 1.382 518 H HN 0.460 nan 8.280 nan 0.000 0.577 519 E N 1.710 121.888 120.200 -0.037 0.000 2.086 519 E HA -0.237 4.113 4.350 0.001 0.000 0.205 519 E C 0.960 177.499 176.600 -0.102 0.000 1.027 519 E CA 1.660 58.013 56.400 -0.079 0.000 0.830 519 E CB -0.058 29.595 29.700 -0.077 0.000 0.751 519 E HN 0.531 nan 8.360 nan 0.000 0.456 520 N N -0.699 117.945 118.700 -0.094 0.000 2.461 520 N HA 0.012 4.752 4.740 0.001 0.000 0.188 520 N C 1.169 176.596 175.510 -0.138 0.000 1.134 520 N CA -0.076 52.917 53.050 -0.095 0.000 0.878 520 N CB 0.193 38.641 38.487 -0.065 0.000 0.972 520 N HN 0.111 nan 8.380 nan 0.000 0.456 521 R N 0.200 120.555 120.500 -0.242 0.000 2.290 521 R HA 0.161 4.501 4.340 0.001 0.000 0.197 521 R C -0.173 175.894 176.300 -0.389 0.000 0.913 521 R CA 0.162 56.014 56.100 -0.414 0.000 1.040 521 R CB 0.526 30.336 30.300 -0.817 0.000 0.992 521 R HN 0.094 nan 8.270 nan 0.000 0.500 522 I N 2.052 122.463 120.570 -0.265 0.000 2.352 522 I HA 0.101 4.271 4.170 0.001 0.000 0.290 522 I C 0.602 176.701 176.117 -0.030 0.000 1.036 522 I CA -0.034 61.180 61.300 -0.143 0.000 1.336 522 I CB 0.758 38.613 38.000 -0.242 0.000 1.407 522 I HN 0.015 nan 8.210 nan 0.000 0.497 523 S N 4.665 120.433 115.700 0.114 0.000 2.661 523 S HA 0.495 4.966 4.470 0.001 0.000 0.285 523 S C -0.222 174.541 174.600 0.272 0.000 1.138 523 S CA -0.716 57.560 58.200 0.127 0.000 0.855 523 S CB 1.771 65.080 63.200 0.181 0.000 1.136 523 S HN 0.712 nan 8.310 nan 0.000 0.484 524 H N -0.833 118.315 119.070 0.130 0.000 2.527 524 H HA -0.105 4.452 4.556 0.001 0.000 0.321 524 H C -0.496 174.951 175.328 0.197 0.000 1.092 524 H CA 0.674 56.811 56.048 0.148 0.000 1.118 524 H CB -1.975 27.880 29.762 0.154 0.000 1.536 524 H HN 0.488 nan 8.280 nan 0.000 0.407 525 V N 1.039 121.092 119.914 0.232 0.000 2.649 525 V HA 0.333 4.453 4.120 0.001 0.000 0.292 525 V C 0.810 177.025 176.094 0.201 0.000 1.055 525 V CA 0.456 62.905 62.300 0.248 0.000 1.023 525 V CB 1.818 33.729 31.823 0.147 0.000 0.992 525 V HN 0.589 nan 8.190 nan 0.000 0.480 526 S N 3.134 118.964 115.700 0.218 0.000 2.556 526 S HA 0.833 5.304 4.470 0.001 0.000 0.271 526 S C -0.636 174.058 174.600 0.157 0.000 1.135 526 S CA -0.022 58.278 58.200 0.167 0.000 0.858 526 S CB 2.392 65.695 63.200 0.172 0.000 1.114 526 S HN 1.142 nan 8.310 nan 0.000 0.468 527 T N -0.159 114.466 114.554 0.118 0.000 2.909 527 T HA 0.821 5.171 4.350 0.001 0.000 0.299 527 T C -0.554 174.189 174.700 0.071 0.000 1.073 527 T CA -0.566 61.595 62.100 0.101 0.000 0.999 527 T CB 1.594 70.519 68.868 0.095 0.000 1.098 527 T HN 0.702 nan 8.240 nan 0.000 0.477 528 S N 0.445 116.177 115.700 0.053 0.000 2.638 528 S HA 0.911 5.381 4.470 0.001 0.000 0.274 528 S C -1.425 173.175 174.600 -0.001 0.000 1.157 528 S CA -0.482 57.734 58.200 0.026 0.000 0.826 528 S CB 1.575 64.795 63.200 0.033 0.000 1.139 528 S HN 1.558 nan 8.310 nan 0.000 0.474 529 S N 0.319 116.007 115.700 -0.019 0.000 2.550 529 S HA 0.819 5.290 4.470 0.001 0.000 0.270 529 S C -1.783 172.794 174.600 -0.038 0.000 1.145 529 S CA -0.671 57.505 58.200 -0.040 0.000 0.852 529 S CB 1.444 64.605 63.200 -0.066 0.000 1.119 529 S HN 0.685 nan 8.310 nan 0.000 0.465 530 V N 1.833 121.727 119.914 -0.033 0.000 2.610 530 V HA 0.422 4.542 4.120 0.001 0.000 0.298 530 V C -0.853 175.245 176.094 0.008 0.000 1.067 530 V CA -0.869 61.423 62.300 -0.014 0.000 0.894 530 V CB 1.842 33.658 31.823 -0.011 0.000 1.015 530 V HN 0.953 nan 8.190 nan 0.000 0.432 531 K N 2.658 123.071 120.400 0.022 0.000 2.297 531 K HA 0.512 4.833 4.320 0.001 0.000 0.286 531 K C 0.633 177.270 176.600 0.062 0.000 1.053 531 K CA -0.364 55.962 56.287 0.067 0.000 0.940 531 K CB 1.224 33.787 32.500 0.105 0.000 1.019 531 K HN 0.836 nan 8.250 nan 0.000 0.475 542 G N 0.632 109.495 108.800 0.104 0.000 2.435 542 G HA2 0.668 4.628 3.960 0.001 0.000 0.296 542 G HA3 0.668 4.628 3.960 0.001 0.000 0.296 542 G C -1.903 173.052 174.900 0.092 0.000 1.240 542 G CA -0.191 44.964 45.100 0.091 0.000 0.872 542 G HN 0.607 nan 8.290 nan 0.000 0.480 543 A N -0.922 121.920 122.820 0.037 0.000 2.365 543 A HA 0.823 5.144 4.320 0.001 0.000 0.318 543 A C -0.883 176.672 177.584 -0.048 0.000 1.091 543 A CA -0.574 51.449 52.037 -0.024 0.000 0.763 543 A CB 1.942 20.880 19.000 -0.103 0.000 1.248 543 A HN 1.402 nan 8.150 nan 0.000 0.442 544 V N 1.125 121.005 119.914 -0.058 0.000 2.555 544 V HA 0.835 4.956 4.120 0.001 0.000 0.302 544 V C 0.596 176.652 176.094 -0.064 0.000 1.038 544 V CA 0.163 62.443 62.300 -0.034 0.000 0.887 544 V CB 1.879 33.713 31.823 0.017 0.000 0.991 544 V HN 1.325 nan 8.190 nan 0.000 0.434 545 G N 2.050 110.835 108.800 -0.025 0.000 2.706 545 G HA2 0.718 4.679 3.960 0.001 0.000 0.297 545 G HA3 0.718 4.679 3.960 0.001 0.000 0.297 545 G C -1.444 173.502 174.900 0.076 0.000 1.403 545 G CA -0.317 44.775 45.100 -0.013 0.000 0.954 545 G HN 1.069 nan 8.290 nan 0.000 0.500 546 V N -0.512 119.486 119.914 0.139 0.000 3.102 546 V HA 0.997 5.117 4.120 0.001 0.000 0.312 546 V C -0.371 175.815 176.094 0.152 0.000 1.135 546 V CA -0.008 62.410 62.300 0.195 0.000 1.022 546 V CB 1.899 33.892 31.823 0.284 0.000 1.056 546 V HN 1.849 nan 8.190 nan 0.000 0.436 547 S N 2.200 117.998 115.700 0.164 0.000 2.596 547 S HA 0.994 5.464 4.470 0.001 0.000 0.270 547 S C -1.001 173.753 174.600 0.258 0.000 1.155 547 S CA -0.244 57.926 58.200 -0.050 0.000 0.827 547 S CB 1.768 64.797 63.200 -0.285 0.000 1.130 547 S HN 2.408 nan 8.310 nan 0.000 0.467 548 F N -2.310 117.744 119.950 0.174 0.000 2.900 548 F HA 0.683 5.210 4.527 0.001 0.000 0.321 548 F C -1.588 174.405 175.800 0.321 0.000 1.160 548 F CA -1.359 56.786 58.000 0.241 0.000 0.890 548 F CB 0.880 40.009 39.000 0.216 0.000 1.334 548 F HN 0.677 nan 8.300 nan 0.000 0.459 549 M N 1.734 121.704 119.600 0.617 0.000 2.472 549 M HA 0.523 5.004 4.480 0.001 0.000 0.331 549 M C -1.848 174.867 176.300 0.692 0.000 1.170 549 M CA -0.728 54.896 55.300 0.540 0.000 1.009 549 M CB 2.148 34.967 32.600 0.365 0.000 1.672 549 M HN 0.618 nan 8.290 nan 0.000 0.453 550 F N 4.707 124.957 119.950 0.500 0.000 2.430 550 F HA 0.355 4.882 4.527 0.001 0.000 0.362 550 F C 0.175 176.126 175.800 0.252 0.000 1.103 550 F CA -0.289 57.928 58.000 0.361 0.000 1.045 550 F CB 0.060 39.276 39.000 0.359 0.000 1.276 550 F HN 0.779 nan 8.300 nan 0.000 0.444 551 N N 2.357 121.137 118.700 0.133 0.000 1.424 551 N HA -0.287 4.453 4.740 0.001 0.000 0.147 551 N C 1.363 176.991 175.510 0.197 0.000 0.709 551 N CA 1.835 54.972 53.050 0.145 0.000 1.052 551 N CB -1.317 37.280 38.487 0.185 0.000 1.281 551 N HN 0.683 nan 8.380 nan 0.000 0.478 552 G N -0.007 108.909 108.800 0.193 0.000 2.417 552 G HA2 0.024 3.984 3.960 0.001 0.000 0.212 552 G HA3 0.024 3.984 3.960 0.001 0.000 0.212 552 G C 0.266 175.263 174.900 0.162 0.000 1.187 552 G CA 1.466 46.654 45.100 0.147 0.000 0.804 552 G HN 0.609 nan 8.290 nan 0.000 0.534 553 T N 1.243 115.917 114.554 0.201 0.000 2.906 553 T HA 0.378 4.728 4.350 0.001 0.000 0.320 553 T C 0.364 175.177 174.700 0.188 0.000 1.088 553 T CA 0.512 62.703 62.100 0.151 0.000 1.120 553 T CB 1.042 70.002 68.868 0.154 0.000 1.000 553 T HN 0.415 nan 8.240 nan 0.000 0.550 554 S N 1.035 116.753 115.700 0.030 0.000 2.502 554 S HA 0.731 5.202 4.470 0.001 0.000 0.304 554 S C -1.085 173.414 174.600 -0.167 0.000 1.097 554 S CA -0.985 57.263 58.200 0.079 0.000 1.045 554 S CB 0.742 64.033 63.200 0.153 0.000 1.019 554 S HN 0.467 nan 8.310 nan 0.000 0.481 555 F N 0.914 120.709 119.950 -0.258 0.000 2.492 555 F HA 0.778 5.306 4.527 0.001 0.000 0.327 555 F C 0.867 176.036 175.800 -1.051 0.000 1.079 555 F CA -0.401 57.252 58.000 -0.578 0.000 0.967 555 F CB 2.546 41.126 39.000 -0.699 0.000 1.169 555 F HN 0.945 nan 8.300 nan 0.000 0.472 556 G N 2.314 110.469 108.800 -1.075 0.000 2.732 556 G HA2 0.639 4.599 3.960 0.001 0.000 0.295 556 G HA3 0.639 4.599 3.960 0.001 0.000 0.295 556 G C -1.985 172.447 174.900 -0.779 0.000 1.456 556 G CA -0.446 43.894 45.100 -1.266 0.000 1.050 556 G HN 0.365 nan 8.290 nan 0.000 0.525 557 F N 1.534 121.461 119.950 -0.040 0.000 2.493 557 F HA 0.588 5.115 4.527 0.001 0.000 0.329 557 F C -0.090 175.677 175.800 -0.055 0.000 1.126 557 F CA -1.079 57.058 58.000 0.228 0.000 0.937 557 F CB 2.881 42.116 39.000 0.391 0.000 1.146 557 F HN 0.240 nan 8.300 nan 0.000 0.442 558 V N 2.779 122.556 119.914 -0.228 0.000 2.409 558 V HA 0.338 4.458 4.120 0.001 0.000 0.290 558 V C -0.784 174.705 176.094 -1.008 0.000 1.017 558 V CA -0.815 61.118 62.300 -0.610 0.000 0.841 558 V CB 1.596 32.820 31.823 -0.999 0.000 1.003 558 V HN 0.700 nan 8.190 nan 0.000 0.426 559 N N 3.914 122.211 118.700 -0.673 0.000 2.438 559 N HA 0.688 5.428 4.740 0.001 0.000 0.282 559 N C -0.552 174.859 175.510 -0.165 0.000 1.037 559 N CA -0.232 52.533 53.050 -0.475 0.000 0.942 559 N CB 1.347 39.813 38.487 -0.034 0.000 1.136 559 N HN 0.927 nan 8.380 nan 0.000 0.481 560 C N 1.559 120.862 119.300 0.006 0.000 3.171 560 C HA 0.619 5.079 4.460 0.001 0.000 0.308 560 C C -0.848 174.297 174.990 0.259 0.000 1.334 560 C CA -1.005 58.097 59.018 0.140 0.000 1.473 560 C CB 1.085 28.963 27.740 0.231 0.000 1.866 560 C HN 0.872 nan 8.230 nan 0.000 0.465 561 H N 1.229 120.372 119.070 0.121 0.000 3.092 561 H HA 0.568 5.124 4.556 0.001 0.000 0.308 561 H C -0.912 174.472 175.328 0.093 0.000 1.047 561 H CA -0.566 55.541 56.048 0.098 0.000 1.466 561 H CB 0.695 30.495 29.762 0.064 0.000 1.597 561 H HN 0.695 nan 8.280 nan 0.000 0.512 562 L N 2.292 123.609 121.223 0.157 0.000 2.488 562 L HA 0.325 4.665 4.340 0.001 0.000 0.249 562 L C 0.663 177.465 176.870 -0.114 0.000 1.151 562 L CA -0.881 53.973 54.840 0.025 0.000 0.806 562 L CB 0.858 42.947 42.059 0.049 0.000 1.261 562 L HN 0.547 nan 8.230 nan 0.000 0.484 563 T N 0.107 114.595 114.554 -0.109 0.000 2.901 563 T HA 0.187 4.537 4.350 0.001 0.000 0.301 563 T C 0.421 175.046 174.700 -0.125 0.000 1.012 563 T CA -0.596 61.431 62.100 -0.121 0.000 1.135 563 T CB 0.884 69.704 68.868 -0.080 0.000 0.936 563 T HN 0.746 nan 8.240 nan 0.000 0.539 564 S N 1.877 117.517 115.700 -0.100 0.000 2.632 564 S HA 0.707 5.177 4.470 0.001 0.000 0.267 564 S C 0.622 175.194 174.600 -0.046 0.000 1.193 564 S CA -0.185 57.974 58.200 -0.069 0.000 1.003 564 S CB 0.155 63.339 63.200 -0.026 0.000 1.073 564 S HN 1.807 nan 8.310 nan 0.000 0.553 565 G N 0.557 109.350 108.800 -0.012 0.000 3.322 565 G HA2 -0.181 3.780 3.960 0.001 0.000 0.686 565 G HA3 -0.181 3.780 3.960 0.001 0.000 0.686 565 G C 0.010 174.916 174.900 0.010 0.000 1.015 565 G CA -0.089 45.018 45.100 0.012 0.000 0.826 565 G HN 0.815 nan 8.290 nan 0.000 0.538 566 N N 0.351 119.072 118.700 0.036 0.000 2.069 566 N HA -0.155 4.586 4.740 0.001 0.000 0.196 566 N C 1.300 176.828 175.510 0.030 0.000 1.024 566 N CA 1.779 54.853 53.050 0.040 0.000 0.869 566 N CB 0.044 38.562 38.487 0.052 0.000 1.035 566 N HN 0.607 nan 8.380 nan 0.000 0.434 567 E N -0.391 119.824 120.200 0.025 0.000 2.354 567 E HA 0.111 4.462 4.350 0.001 0.000 0.252 567 E C -0.082 176.526 176.600 0.014 0.000 1.330 567 E CA 0.156 56.570 56.400 0.023 0.000 1.658 567 E CB 0.600 30.314 29.700 0.023 0.000 1.460 567 E HN 0.377 nan 8.360 nan 0.000 0.435 568 K N 0.237 120.639 120.400 0.003 0.000 3.012 568 K HA 0.184 4.504 4.320 0.001 0.000 0.207 568 K C 1.126 177.710 176.600 -0.027 0.000 1.130 568 K CA -0.218 56.062 56.287 -0.013 0.000 1.021 568 K CB -0.581 31.901 32.500 -0.030 0.000 0.736 568 K HN -0.007 nan 8.250 nan 0.000 0.448 569 T N -0.051 114.514 114.554 0.017 0.000 2.995 569 T HA 0.011 4.361 4.350 0.001 0.000 0.269 569 T C 2.376 177.128 174.700 0.088 0.000 1.091 569 T CA 1.246 63.392 62.100 0.077 0.000 1.128 569 T CB -0.040 68.918 68.868 0.149 0.000 0.891 569 T HN 0.636 nan 8.240 nan 0.000 0.492 570 A N 2.285 125.136 122.820 0.053 0.000 1.908 570 A HA -0.142 4.179 4.320 0.001 0.000 0.218 570 A C 2.448 180.060 177.584 0.047 0.000 1.181 570 A CA 1.240 53.307 52.037 0.050 0.000 0.627 570 A CB -0.404 18.616 19.000 0.034 0.000 0.818 570 A HN 0.394 nan 8.150 nan 0.000 0.445 571 R N -0.893 119.620 120.500 0.022 0.000 2.062 571 R HA -0.030 4.310 4.340 0.001 0.000 0.229 571 R C 2.478 178.794 176.300 0.028 0.000 1.128 571 R CA 1.280 57.390 56.100 0.017 0.000 0.960 571 R CB -0.333 29.963 30.300 -0.007 0.000 0.855 571 R HN 0.487 nan 8.270 nan 0.000 0.432 572 R N 0.778 121.269 120.500 -0.016 0.000 2.083 572 R HA -0.114 4.226 4.340 0.001 0.000 0.237 572 R C 2.036 178.440 176.300 0.173 0.000 1.137 572 R CA 1.685 57.776 56.100 -0.015 0.000 0.951 572 R CB -0.444 29.625 30.300 -0.385 0.000 0.851 572 R HN 0.202 nan 8.270 nan 0.000 0.434 573 N N 0.598 119.420 118.700 0.203 0.000 2.021 573 N HA -0.220 4.520 4.740 0.001 0.000 0.198 573 N C 1.788 177.410 175.510 0.188 0.000 1.041 573 N CA 1.307 54.477 53.050 0.200 0.000 0.862 573 N CB -0.385 38.185 38.487 0.138 0.000 1.048 573 N HN 0.189 nan 8.380 nan 0.000 0.427 574 Q N 0.509 120.384 119.800 0.125 0.000 2.096 574 Q HA -0.035 4.305 4.340 0.001 0.000 0.204 574 Q C 1.487 177.551 176.000 0.108 0.000 0.982 574 Q CA 1.024 56.885 55.803 0.098 0.000 0.850 574 Q CB -0.501 28.275 28.738 0.063 0.000 0.901 574 Q HN 0.420 nan 8.270 nan 0.000 0.422 575 N N -0.118 118.654 118.700 0.120 0.000 2.149 575 N HA -0.183 4.557 4.740 0.001 0.000 0.188 575 N C 1.573 177.195 175.510 0.186 0.000 1.019 575 N CA 1.076 54.204 53.050 0.130 0.000 0.857 575 N CB -0.524 38.036 38.487 0.123 0.000 0.997 575 N HN 0.368 nan 8.380 nan 0.000 0.426 576 Y N 1.454 121.807 120.300 0.089 0.000 2.163 576 Y HA -0.016 4.535 4.550 0.001 0.000 0.288 576 Y C 2.148 178.057 175.900 0.015 0.000 1.136 576 Y CA 1.178 59.299 58.100 0.036 0.000 1.147 576 Y CB -0.446 37.922 38.460 -0.154 0.000 0.987 576 Y HN -0.062 nan 8.280 nan 0.000 0.509 577 L N 0.195 121.422 121.223 0.007 0.000 2.043 577 L HA -0.271 4.070 4.340 0.001 0.000 0.212 577 L C 2.062 178.877 176.870 -0.091 0.000 1.075 577 L CA 1.720 56.507 54.840 -0.088 0.000 0.752 577 L CB -0.649 41.432 42.059 0.037 0.000 0.891 577 L HN 0.285 nan 8.230 nan 0.000 0.432 578 D N 0.054 120.443 120.400 -0.019 0.000 2.123 578 D HA -0.107 4.534 4.640 0.001 0.000 0.200 578 D C 2.296 178.588 176.300 -0.014 0.000 0.976 578 D CA 1.155 55.152 54.000 -0.005 0.000 0.831 578 D CB -0.069 40.745 40.800 0.023 0.000 0.974 578 D HN 0.319 nan 8.370 nan 0.000 0.469 579 I N 0.556 121.129 120.570 0.005 0.000 2.113 579 I HA -0.247 3.923 4.170 0.001 0.000 0.238 579 I C 2.418 178.516 176.117 -0.031 0.000 1.070 579 I CA 0.554 61.858 61.300 0.007 0.000 1.332 579 I CB -0.227 37.829 38.000 0.093 0.000 1.044 579 I HN -0.041 nan 8.210 nan 0.000 0.402 580 L N 0.686 121.877 121.223 -0.054 0.000 2.137 580 L HA -0.244 4.097 4.340 0.001 0.000 0.213 580 L C 2.514 179.343 176.870 -0.069 0.000 1.085 580 L CA 1.923 56.714 54.840 -0.082 0.000 0.760 580 L CB -0.441 41.393 42.059 -0.375 0.000 0.893 580 L HN 0.127 nan 8.230 nan 0.000 0.434 581 R N -1.708 118.751 120.500 -0.069 0.000 2.123 581 R HA 0.168 4.509 4.340 0.001 0.000 0.209 581 R C 1.873 178.155 176.300 -0.029 0.000 1.078 581 R CA 0.752 56.825 56.100 -0.045 0.000 1.028 581 R CB -0.125 30.152 30.300 -0.039 0.000 0.939 581 R HN 0.295 nan 8.270 nan 0.000 0.463 582 L N 1.261 122.469 121.223 -0.024 0.000 2.591 582 L HA 0.146 4.486 4.340 0.001 0.000 0.228 582 L C 0.207 177.068 176.870 -0.014 0.000 1.133 582 L CA -0.240 54.592 54.840 -0.014 0.000 0.880 582 L CB 0.054 42.109 42.059 -0.007 0.000 1.033 582 L HN 0.068 nan 8.230 nan 0.000 0.450 583 L N 1.285 122.495 121.223 -0.022 0.000 2.325 583 L HA 0.092 4.432 4.340 0.001 0.000 0.284 583 L C 0.942 177.815 176.870 0.005 0.000 1.089 583 L CA 0.089 54.917 54.840 -0.020 0.000 0.836 583 L CB 0.970 42.999 42.059 -0.051 0.000 1.184 583 L HN 0.044 nan 8.230 nan 0.000 0.444 584 S N 5.099 120.808 115.700 0.015 0.000 4.087 584 S HA 0.291 4.762 4.470 0.001 0.000 0.213 584 S C -0.237 174.402 174.600 0.065 0.000 1.415 584 S CA -0.652 57.566 58.200 0.031 0.000 0.893 584 S CB -0.319 62.895 63.200 0.024 0.000 1.529 584 S HN 0.485 nan 8.310 nan 0.000 0.457 585 L N 3.446 124.731 121.223 0.102 0.000 2.321 585 L HA 0.778 5.119 4.340 0.001 0.000 0.272 585 L C 0.507 177.527 176.870 0.250 0.000 1.050 585 L CA 0.779 55.733 54.840 0.191 0.000 0.893 585 L CB 0.228 42.445 42.059 0.263 0.000 1.272 585 L HN 0.879 nan 8.230 nan 0.000 0.435 586 G N 2.417 111.328 108.800 0.186 0.000 2.439 586 G HA2 0.025 3.985 3.960 0.001 0.000 0.186 586 G HA3 0.025 3.985 3.960 0.001 0.000 0.186 586 G C -0.918 174.053 174.900 0.118 0.000 1.260 586 G CA 0.192 45.393 45.100 0.169 0.000 1.020 586 G HN 0.350 nan 8.290 nan 0.000 0.470 587 D N -0.395 120.054 120.400 0.082 0.000 3.435 587 D HA 0.311 4.951 4.640 0.001 0.000 0.209 587 D C 0.867 177.191 176.300 0.039 0.000 1.157 587 D CA -0.328 53.713 54.000 0.069 0.000 1.322 587 D CB 0.452 41.298 40.800 0.077 0.000 0.924 587 D HN 0.330 nan 8.370 nan 0.000 0.180 588 R N 0.678 121.193 120.500 0.026 0.000 4.231 588 R HA 0.181 4.521 4.340 0.001 0.000 0.250 588 R C -0.611 175.687 176.300 -0.005 0.000 1.600 588 R CA 0.015 56.122 56.100 0.011 0.000 1.523 588 R CB -0.488 29.819 30.300 0.012 0.000 1.422 588 R HN 0.342 nan 8.270 nan 0.000 0.759 589 Q N 1.451 121.244 119.800 -0.012 0.000 2.706 589 Q HA 0.082 4.423 4.340 0.001 0.000 0.335 589 Q C -0.375 175.600 176.000 -0.042 0.000 0.796 589 Q CA -0.265 55.517 55.803 -0.035 0.000 1.046 589 Q CB 0.715 29.419 28.738 -0.057 0.000 1.448 589 Q HN 0.328 nan 8.270 nan 0.000 0.385 590 L N 0.124 121.331 121.223 -0.026 0.000 2.513 590 L HA 0.318 4.658 4.340 0.001 0.000 0.222 590 L C -0.066 176.787 176.870 -0.028 0.000 1.096 590 L CA 0.625 55.449 54.840 -0.026 0.000 0.857 590 L CB 0.271 42.322 42.059 -0.012 0.000 1.026 590 L HN 0.234 nan 8.230 nan 0.000 0.469 595 I N -1.035 119.502 120.570 -0.054 0.000 3.059 595 I HA -0.067 4.103 4.170 0.001 0.000 0.270 595 I C 1.905 177.987 176.117 -0.057 0.000 1.238 595 I CA 0.551 61.799 61.300 -0.086 0.000 1.478 595 I CB -0.218 37.830 38.000 0.080 0.000 1.097 595 I HN 0.200 nan 8.210 nan 0.000 0.455 596 S N 2.011 117.729 115.700 0.029 0.000 2.442 596 S HA -0.032 4.439 4.470 0.001 0.000 0.236 596 S C 1.668 176.187 174.600 -0.135 0.000 1.007 596 S CA 0.989 59.194 58.200 0.009 0.000 0.965 596 S CB -0.725 62.521 63.200 0.077 0.000 0.773 596 S HN 0.638 nan 8.310 nan 0.000 0.504 597 L N -0.535 120.616 121.223 -0.121 0.000 2.766 597 L HA 0.403 4.744 4.340 0.001 0.000 0.242 597 L C 2.362 179.137 176.870 -0.159 0.000 1.136 597 L CA -0.161 54.651 54.840 -0.048 0.000 0.933 597 L CB 0.047 42.099 42.059 -0.012 0.000 1.241 597 L HN 0.120 nan 8.230 nan 0.000 0.522 598 R N -0.210 120.012 120.500 -0.464 0.000 2.223 598 R HA 0.186 4.526 4.340 0.001 0.000 0.198 598 R C -0.471 175.318 176.300 -0.851 0.000 0.984 598 R CA 0.597 56.213 56.100 -0.808 0.000 1.018 598 R CB 0.401 29.926 30.300 -1.291 0.000 0.945 598 R HN 0.061 nan 8.270 nan 0.000 0.479 599 F N -1.632 118.258 119.950 -0.100 0.000 2.563 599 F HA 0.298 4.825 4.527 0.001 0.000 0.316 599 F C 1.359 177.011 175.800 -0.247 0.000 1.076 599 F CA -1.151 56.749 58.000 -0.166 0.000 0.921 599 F CB 1.415 40.288 39.000 -0.212 0.000 1.209 599 F HN -0.280 nan 8.300 nan 0.000 0.462 600 T N -0.384 114.124 114.554 -0.076 0.000 2.635 600 T HA -0.161 4.189 4.350 0.001 0.000 0.267 600 T C 0.251 174.520 174.700 -0.718 0.000 1.040 600 T CA 1.578 63.497 62.100 -0.302 0.000 1.156 600 T CB -0.425 68.258 68.868 -0.308 0.000 0.863 600 T HN 0.408 nan 8.240 nan 0.000 0.430 601 H N -0.477 118.340 119.070 -0.422 0.000 2.600 601 H HA 0.584 5.140 4.556 0.001 0.000 0.357 601 H C -1.224 173.794 175.328 -0.517 0.000 1.106 601 H CA -0.976 54.737 56.048 -0.558 0.000 1.193 601 H CB 2.027 31.374 29.762 -0.691 0.000 1.594 601 H HN 0.050 nan 8.280 nan 0.000 0.526 602 L N 3.946 124.913 121.223 -0.427 0.000 2.427 602 L HA 0.385 4.725 4.340 0.001 0.000 0.264 602 L C -1.683 175.079 176.870 -0.180 0.000 0.989 602 L CA -0.414 54.295 54.840 -0.217 0.000 0.865 602 L CB 0.230 42.327 42.059 0.064 0.000 1.209 602 L HN 0.292 nan 8.230 nan 0.000 0.430 603 F N 4.346 124.305 119.950 0.016 0.000 2.384 603 F HA 0.509 5.037 4.527 0.001 0.000 0.338 603 F C -0.223 175.955 175.800 0.631 0.000 1.103 603 F CA 0.115 58.331 58.000 0.359 0.000 1.157 603 F CB 1.183 40.368 39.000 0.307 0.000 1.167 603 F HN 0.485 nan 8.300 nan 0.000 0.529 604 W N 6.832 128.588 121.300 0.760 0.000 2.884 604 W HA 0.469 5.129 4.660 0.001 0.000 0.336 604 W C -2.184 174.673 176.519 0.564 0.000 1.038 604 W CA -1.780 55.867 57.345 0.504 0.000 1.247 604 W CB 1.366 31.150 29.460 0.539 0.000 1.351 604 W HN 0.536 nan 8.180 nan 0.000 0.446 605 F N 2.664 123.043 119.950 0.715 0.000 2.726 605 F HA 0.958 5.485 4.527 0.001 0.000 0.324 605 F C 0.369 176.467 175.800 0.497 0.000 1.140 605 F CA -0.762 57.576 58.000 0.564 0.000 0.964 605 F CB 1.092 40.369 39.000 0.462 0.000 1.399 605 F HN 0.687 nan 8.300 nan 0.000 0.491 606 G N 0.185 109.346 108.800 0.603 0.000 2.331 606 G HA2 0.127 4.087 3.960 0.001 0.000 0.402 606 G HA3 0.127 4.087 3.960 0.001 0.000 0.402 606 G C -2.129 172.978 174.900 0.344 0.000 1.275 606 G CA -0.634 44.715 45.100 0.415 0.000 1.003 606 G HN 0.981 nan 8.290 nan 0.000 0.500 607 D N 1.224 121.762 120.400 0.229 0.000 2.470 607 D HA 0.298 4.939 4.640 0.001 0.000 0.226 607 D C 1.948 178.416 176.300 0.279 0.000 1.196 607 D CA -0.382 53.733 54.000 0.193 0.000 0.979 607 D CB -0.197 40.594 40.800 -0.015 0.000 1.059 607 D HN 0.406 nan 8.370 nan 0.000 0.515 608 L N 2.162 123.563 121.223 0.296 0.000 2.549 608 L HA -0.048 4.292 4.340 0.001 0.000 0.229 608 L C 0.922 177.854 176.870 0.103 0.000 1.158 608 L CA 0.024 55.042 54.840 0.296 0.000 0.842 608 L CB -0.572 41.729 42.059 0.403 0.000 0.952 608 L HN 0.425 nan 8.230 nan 0.000 0.452 609 N N -0.087 118.673 118.700 0.100 0.000 2.710 609 N HA -0.244 4.496 4.740 0.001 0.000 0.249 609 N C -0.637 174.788 175.510 -0.142 0.000 1.059 609 N CA 0.900 53.928 53.050 -0.038 0.000 0.720 609 N CB -1.136 37.311 38.487 -0.068 0.000 0.983 609 N HN 0.319 nan 8.380 nan 0.000 0.544 610 Y N 0.303 120.636 120.300 0.055 0.000 2.313 610 Y HA 0.346 4.896 4.550 0.001 0.000 0.332 610 Y C 1.469 177.403 175.900 0.056 0.000 1.071 610 Y CA -0.182 57.943 58.100 0.042 0.000 1.169 610 Y CB 0.866 39.338 38.460 0.021 0.000 1.192 610 Y HN -0.140 nan 8.280 nan 0.000 0.487 611 R N 2.268 122.879 120.500 0.185 0.000 2.843 611 R HA 0.581 4.922 4.340 0.001 0.000 0.232 611 R C -0.928 175.450 176.300 0.130 0.000 1.305 611 R CA -1.164 55.010 56.100 0.124 0.000 1.096 611 R CB 0.559 30.906 30.300 0.078 0.000 1.455 611 R HN 0.640 nan 8.270 nan 0.000 0.520 612 L N 0.946 122.219 121.223 0.083 0.000 2.325 612 L HA 0.287 4.627 4.340 0.001 0.000 0.279 612 L C -0.186 176.716 176.870 0.053 0.000 1.054 612 L CA -0.537 54.348 54.840 0.076 0.000 0.804 612 L CB 0.975 43.061 42.059 0.046 0.000 1.200 612 L HN 0.292 nan 8.230 nan 0.000 0.436 613 D N 3.788 124.218 120.400 0.050 0.000 2.741 613 D HA 0.434 5.074 4.640 0.001 0.000 0.233 613 D C -0.457 175.861 176.300 0.030 0.000 1.160 613 D CA 0.478 54.500 54.000 0.037 0.000 1.003 613 D CB 0.327 41.146 40.800 0.032 0.000 1.064 613 D HN 0.302 nan 8.370 nan 0.000 0.503 614 M N 0.269 119.882 119.600 0.023 0.000 2.465 614 M HA 0.155 4.635 4.480 0.001 0.000 0.284 614 M C -1.464 174.831 176.300 -0.010 0.000 1.212 614 M CA -0.809 54.502 55.300 0.018 0.000 0.910 614 M CB 2.762 35.386 32.600 0.041 0.000 1.725 614 M HN -0.082 nan 8.290 nan 0.000 0.477 615 D N 1.846 122.233 120.400 -0.022 0.000 2.372 615 D HA 0.050 4.690 4.640 0.001 0.000 0.243 615 D C 0.866 177.095 176.300 -0.119 0.000 1.121 615 D CA -0.036 53.931 54.000 -0.056 0.000 0.898 615 D CB 1.153 41.923 40.800 -0.051 0.000 1.202 615 D HN 0.694 nan 8.370 nan 0.000 0.428 616 I N 2.987 123.440 120.570 -0.194 0.000 2.315 616 I HA -0.308 3.863 4.170 0.001 0.000 0.251 616 I C 2.316 178.215 176.117 -0.363 0.000 1.125 616 I CA 1.515 62.588 61.300 -0.378 0.000 1.392 616 I CB -0.197 37.367 38.000 -0.726 0.000 1.065 616 I HN 0.499 nan 8.210 nan 0.000 0.424 617 Q N -0.022 119.620 119.800 -0.264 0.000 1.985 617 Q HA -0.304 4.036 4.340 0.001 0.000 0.207 617 Q C 2.150 178.025 176.000 -0.208 0.000 0.996 617 Q CA 2.528 58.200 55.803 -0.218 0.000 0.851 617 Q CB -0.174 28.472 28.738 -0.153 0.000 0.921 617 Q HN 0.555 nan 8.270 nan 0.000 0.418 618 E N 0.321 120.423 120.200 -0.163 0.000 2.107 618 E HA -0.098 4.252 4.350 0.001 0.000 0.191 618 E C 1.899 178.450 176.600 -0.082 0.000 0.982 618 E CA 0.706 56.996 56.400 -0.184 0.000 0.809 618 E CB -0.103 29.581 29.700 -0.027 0.000 0.756 618 E HN 0.329 nan 8.360 nan 0.000 0.459 619 I N 0.506 121.054 120.570 -0.037 0.000 2.099 619 I HA -0.311 3.860 4.170 0.001 0.000 0.239 619 I C 2.213 178.294 176.117 -0.061 0.000 1.066 619 I CA 1.227 62.517 61.300 -0.016 0.000 1.324 619 I CB -0.335 37.583 38.000 -0.137 0.000 1.037 619 I HN 0.124 nan 8.210 nan 0.000 0.401 620 L N 0.348 121.469 121.223 -0.171 0.000 2.046 620 L HA -0.241 4.099 4.340 0.001 0.000 0.208 620 L C 2.394 179.212 176.870 -0.086 0.000 1.077 620 L CA 1.317 56.071 54.840 -0.142 0.000 0.747 620 L CB -0.864 41.056 42.059 -0.231 0.000 0.896 620 L HN 0.366 nan 8.230 nan 0.000 0.432 621 N N -0.229 118.381 118.700 -0.150 0.000 2.025 621 N HA -0.234 4.506 4.740 0.001 0.000 0.194 621 N C 1.766 177.203 175.510 -0.122 0.000 1.044 621 N CA 1.617 54.558 53.050 -0.182 0.000 0.851 621 N CB -0.656 37.638 38.487 -0.323 0.000 1.036 621 N HN 0.237 nan 8.380 nan 0.000 0.422 622 Y N 1.351 121.628 120.300 -0.039 0.000 2.207 622 Y HA -0.068 4.482 4.550 0.001 0.000 0.287 622 Y C 2.281 178.160 175.900 -0.036 0.000 1.156 622 Y CA 0.349 58.431 58.100 -0.031 0.000 1.182 622 Y CB -0.412 38.050 38.460 0.003 0.000 0.979 622 Y HN 0.052 nan 8.280 nan 0.000 0.521 623 I N -0.319 120.350 120.570 0.165 0.000 2.127 623 I HA -0.328 3.843 4.170 0.001 0.000 0.241 623 I C 2.584 178.749 176.117 0.081 0.000 1.075 623 I CA 2.046 63.449 61.300 0.170 0.000 1.334 623 I CB -1.758 36.369 38.000 0.211 0.000 1.040 623 I HN 0.298 nan 8.210 nan 0.000 0.405 624 S N 1.366 117.097 115.700 0.052 0.000 2.400 624 S HA -0.196 4.275 4.470 0.001 0.000 0.232 624 S C 1.974 176.573 174.600 -0.002 0.000 1.025 624 S CA 1.026 59.242 58.200 0.027 0.000 0.993 624 S CB -0.524 62.678 63.200 0.004 0.000 0.808 624 S HN 0.471 nan 8.310 nan 0.000 0.478 625 R N 1.105 121.595 120.500 -0.016 0.000 2.310 625 R HA 0.256 4.596 4.340 0.001 0.000 0.202 625 R C -0.014 176.228 176.300 -0.097 0.000 0.933 625 R CA 0.113 56.194 56.100 -0.032 0.000 1.054 625 R CB -0.197 30.103 30.300 -0.001 0.000 0.985 625 R HN 0.397 nan 8.270 nan 0.000 0.489 626 K N 1.439 121.732 120.400 -0.178 0.000 3.156 626 K HA -0.202 4.119 4.320 0.001 0.000 0.266 626 K C -1.076 175.175 176.600 -0.582 0.000 0.966 626 K CA 0.870 56.873 56.287 -0.473 0.000 0.719 626 K CB -1.170 31.163 32.500 -0.278 0.000 1.333 626 K HN 0.414 nan 8.250 nan 0.000 0.468 627 E N 0.412 120.370 120.200 -0.404 0.000 2.267 627 E HA 0.120 4.470 4.350 0.001 0.000 0.241 627 E C 0.060 176.551 176.600 -0.182 0.000 0.950 627 E CA -0.400 55.858 56.400 -0.237 0.000 0.776 627 E CB 0.291 29.986 29.700 -0.009 0.000 1.207 627 E HN 0.141 nan 8.360 nan 0.000 0.436 628 F N 0.711 120.685 119.950 0.041 0.000 2.664 628 F HA -0.008 4.519 4.527 0.001 0.000 0.296 628 F C 2.297 178.059 175.800 -0.063 0.000 1.125 628 F CA 0.260 58.299 58.000 0.064 0.000 1.444 628 F CB -0.056 39.008 39.000 0.107 0.000 1.114 628 F HN 0.362 nan 8.300 nan 0.000 0.576 629 E N 1.944 122.162 120.200 0.029 0.000 2.038 629 E HA -0.160 4.191 4.350 0.001 0.000 0.195 629 E C -0.660 175.864 176.600 -0.127 0.000 1.000 629 E CA 1.629 57.991 56.400 -0.063 0.000 0.803 629 E CB -1.601 28.058 29.700 -0.070 0.000 0.750 629 E HN 0.117 nan 8.360 nan 0.000 0.448 630 P HA -0.114 nan 4.420 nan 0.000 0.220 630 P C 1.302 178.458 177.300 -0.240 0.000 1.148 630 P CA 1.141 64.030 63.100 -0.351 0.000 0.803 630 P CB -0.073 31.135 31.700 -0.820 0.000 0.782 631 L N -1.466 119.686 121.223 -0.118 0.000 2.095 631 L HA -0.044 4.296 4.340 0.001 0.000 0.204 631 L C 2.559 179.511 176.870 0.137 0.000 1.080 631 L CA 0.911 55.815 54.840 0.105 0.000 0.759 631 L CB -1.016 41.245 42.059 0.337 0.000 0.914 631 L HN -0.106 nan 8.230 nan 0.000 0.439 632 L N -0.236 120.992 121.223 0.008 0.000 2.261 632 L HA -0.168 4.172 4.340 0.001 0.000 0.216 632 L C 2.677 179.472 176.870 -0.124 0.000 1.114 632 L CA 0.999 55.728 54.840 -0.184 0.000 0.777 632 L CB -0.435 41.426 42.059 -0.329 0.000 0.910 632 L HN 0.217 nan 8.230 nan 0.000 0.440 633 R N -1.082 119.364 120.500 -0.090 0.000 2.280 633 R HA -0.014 4.326 4.340 0.001 0.000 0.207 633 R C 1.317 177.583 176.300 -0.057 0.000 1.043 633 R CA 0.693 56.744 56.100 -0.083 0.000 1.006 633 R CB 0.134 30.386 30.300 -0.080 0.000 0.885 633 R HN 0.224 nan 8.270 nan 0.000 0.467 634 V N 0.686 120.585 119.914 -0.024 0.000 3.432 634 V HA -0.010 4.110 4.120 0.001 0.000 0.298 634 V C 0.031 176.144 176.094 0.032 0.000 1.464 634 V CA -0.245 62.056 62.300 0.002 0.000 1.046 634 V CB 0.594 32.427 31.823 0.017 0.000 0.887 634 V HN 0.162 nan 8.190 nan 0.000 0.441 635 D N 0.496 120.919 120.400 0.039 0.000 2.425 635 D HA -0.009 4.631 4.640 0.001 0.000 0.247 635 D C 0.994 177.299 176.300 0.007 0.000 1.147 635 D CA 0.244 54.289 54.000 0.076 0.000 0.879 635 D CB 1.488 42.332 40.800 0.073 0.000 1.179 635 D HN 0.328 nan 8.370 nan 0.000 0.456 636 Q N 2.219 122.055 119.800 0.061 0.000 2.226 636 Q HA -0.164 4.176 4.340 0.001 0.000 0.204 636 Q C 1.695 177.581 176.000 -0.189 0.000 0.975 636 Q CA 0.819 56.649 55.803 0.045 0.000 0.866 636 Q CB 0.114 29.003 28.738 0.250 0.000 0.915 636 Q HN 0.515 nan 8.270 nan 0.000 0.440 637 L N 0.957 121.983 121.223 -0.328 0.000 2.023 637 L HA -0.125 4.215 4.340 0.001 0.000 0.205 637 L C 1.508 178.116 176.870 -0.436 0.000 1.073 637 L CA 1.703 56.137 54.840 -0.676 0.000 0.745 637 L CB -0.477 41.227 42.059 -0.592 0.000 0.900 637 L HN 0.108 nan 8.230 nan 0.000 0.435 638 N N -0.214 118.311 118.700 -0.292 0.000 2.149 638 N HA -0.184 4.556 4.740 0.001 0.000 0.188 638 N C 1.941 177.325 175.510 -0.209 0.000 1.019 638 N CA 1.619 54.523 53.050 -0.242 0.000 0.857 638 N CB -0.495 37.869 38.487 -0.204 0.000 0.997 638 N HN 0.368 nan 8.380 nan 0.000 0.426 639 L N 1.027 122.144 121.223 -0.176 0.000 2.017 639 L HA -0.136 4.204 4.340 0.001 0.000 0.208 639 L C 2.168 178.944 176.870 -0.158 0.000 1.073 639 L CA 1.184 55.941 54.840 -0.139 0.000 0.745 639 L CB -0.244 41.763 42.059 -0.087 0.000 0.894 639 L HN 0.106 nan 8.230 nan 0.000 0.432 640 E N -0.148 119.935 120.200 -0.194 0.000 2.107 640 E HA -0.134 4.217 4.350 0.001 0.000 0.191 640 E C 2.270 178.751 176.600 -0.198 0.000 0.982 640 E CA 0.738 57.029 56.400 -0.181 0.000 0.809 640 E CB -0.108 29.471 29.700 -0.202 0.000 0.756 640 E HN 0.406 nan 8.360 nan 0.000 0.459 641 R N 0.803 121.155 120.500 -0.247 0.000 2.081 641 R HA -0.109 4.232 4.340 0.001 0.000 0.235 641 R C 2.208 178.372 176.300 -0.226 0.000 1.131 641 R CA 1.271 57.245 56.100 -0.210 0.000 0.960 641 R CB -0.070 30.087 30.300 -0.239 0.000 0.856 641 R HN 0.218 nan 8.270 nan 0.000 0.436 642 E N 0.190 120.240 120.200 -0.249 0.000 2.204 642 E HA -0.149 4.201 4.350 0.001 0.000 0.194 642 E C 1.340 177.689 176.600 -0.418 0.000 0.989 642 E CA 0.961 57.177 56.400 -0.306 0.000 0.824 642 E CB 0.182 29.753 29.700 -0.214 0.000 0.756 642 E HN 0.227 nan 8.360 nan 0.000 0.477 643 K N -0.242 119.985 120.400 -0.289 0.000 2.487 643 K HA 0.033 4.354 4.320 0.001 0.000 0.192 643 K C -0.552 175.955 176.600 -0.154 0.000 1.027 643 K CA 0.146 56.303 56.287 -0.216 0.000 1.054 643 K CB 0.025 32.460 32.500 -0.109 0.000 0.824 643 K HN 0.241 nan 8.250 nan 0.000 0.510 644 H N -0.784 118.251 119.070 -0.058 0.000 2.770 644 H HA -0.185 4.372 4.556 0.001 0.000 0.309 644 H C 0.714 176.015 175.328 -0.045 0.000 1.206 644 H CA 0.423 56.442 56.048 -0.048 0.000 1.147 644 H CB -1.049 28.694 29.762 -0.032 0.000 1.422 644 H HN 0.156 nan 8.280 nan 0.000 0.420 645 K N 0.073 120.480 120.400 0.012 0.000 2.276 645 K HA 0.210 4.530 4.320 0.001 0.000 0.198 645 K C 0.805 177.379 176.600 -0.043 0.000 1.052 645 K CA 1.202 57.487 56.287 -0.004 0.000 0.984 645 K CB 1.033 33.523 32.500 -0.017 0.000 0.836 645 K HN 0.222 nan 8.250 nan 0.000 0.490 646 V N -3.738 116.101 119.914 -0.126 0.000 3.181 646 V HA 0.409 4.529 4.120 0.001 0.000 0.308 646 V C -0.543 175.347 176.094 -0.339 0.000 1.214 646 V CA -1.182 60.917 62.300 -0.336 0.000 1.053 646 V CB 0.967 32.513 31.823 -0.462 0.000 1.069 646 V HN 0.295 nan 8.190 nan 0.000 0.441 647 F N 0.199 119.580 119.950 -0.948 0.000 2.829 647 F HA -0.190 4.338 4.527 0.001 0.000 0.237 647 F C 0.405 176.167 175.800 -0.065 0.000 1.017 647 F CA 0.496 58.071 58.000 -0.708 0.000 0.882 647 F CB -1.078 37.354 39.000 -0.946 0.000 0.795 647 F HN 0.431 nan 8.300 nan 0.000 0.848 648 L N 1.801 123.134 121.223 0.183 0.000 2.455 648 L HA 0.197 4.537 4.340 0.001 0.000 0.272 648 L C 1.568 178.556 176.870 0.197 0.000 1.174 648 L CA -0.296 54.646 54.840 0.171 0.000 0.869 648 L CB 0.545 42.664 42.059 0.100 0.000 1.130 648 L HN 0.380 nan 8.230 nan 0.000 0.474 649 R N 1.216 121.773 120.500 0.095 0.000 3.741 649 R HA -0.221 4.120 4.340 0.001 0.000 0.292 649 R C -0.614 175.620 176.300 -0.111 0.000 1.176 649 R CA 0.523 56.614 56.100 -0.016 0.000 0.794 649 R CB -1.650 28.611 30.300 -0.065 0.000 1.213 649 R HN 0.303 nan 8.270 nan 0.000 0.494 650 F N -0.521 119.357 119.950 -0.120 0.000 2.377 650 F HA 0.309 4.837 4.527 0.001 0.000 0.328 650 F C 1.106 176.688 175.800 -0.363 0.000 1.094 650 F CA -0.038 57.843 58.000 -0.199 0.000 1.093 650 F CB 1.622 40.594 39.000 -0.046 0.000 1.214 650 F HN -0.182 nan 8.300 nan 0.000 0.518 651 S N 1.041 116.430 115.700 -0.518 0.000 2.568 651 S HA 0.501 4.971 4.470 0.001 0.000 0.302 651 S C -1.144 172.856 174.600 -1.000 0.000 1.082 651 S CA -0.810 56.883 58.200 -0.845 0.000 1.009 651 S CB 1.887 64.340 63.200 -1.246 0.000 1.069 651 S HN 0.612 nan 8.310 nan 0.000 0.500 652 E N 1.373 121.157 120.200 -0.692 0.000 2.311 652 E HA 0.254 4.604 4.350 0.001 0.000 0.281 652 E C -1.353 175.149 176.600 -0.163 0.000 0.905 652 E CA -0.508 55.648 56.400 -0.407 0.000 0.778 652 E CB 1.341 30.906 29.700 -0.226 0.000 1.240 652 E HN 0.501 nan 8.360 nan 0.000 0.410 653 E N 2.530 122.753 120.200 0.037 0.000 2.436 653 E HA -0.022 4.328 4.350 0.001 0.000 0.262 653 E C -0.814 175.901 176.600 0.192 0.000 1.063 653 E CA 0.401 56.899 56.400 0.164 0.000 0.944 653 E CB 0.617 30.432 29.700 0.190 0.000 0.950 653 E HN 0.388 nan 8.360 nan 0.000 0.444 654 E N 2.535 122.824 120.200 0.149 0.000 2.415 654 E HA 0.049 4.400 4.350 0.001 0.000 0.263 654 E C -0.246 176.417 176.600 0.105 0.000 0.995 654 E CA 0.101 56.544 56.400 0.071 0.000 0.915 654 E CB 0.471 30.187 29.700 0.027 0.000 0.951 654 E HN 0.457 nan 8.360 nan 0.000 0.449 655 I N 3.219 123.711 120.570 -0.130 0.000 2.363 655 I HA -0.036 4.134 4.170 0.001 0.000 0.292 655 I C 0.716 176.595 176.117 -0.396 0.000 1.075 655 I CA 0.264 61.270 61.300 -0.491 0.000 1.333 655 I CB 0.492 37.814 38.000 -1.131 0.000 1.415 655 I HN 0.449 nan 8.210 nan 0.000 0.502 656 S N 6.343 121.955 115.700 -0.147 0.000 2.624 656 S HA 0.324 4.795 4.470 0.001 0.000 0.246 656 S C -0.333 174.373 174.600 0.177 0.000 1.072 656 S CA -0.731 57.515 58.200 0.076 0.000 1.045 656 S CB -0.431 62.874 63.200 0.174 0.000 0.851 656 S HN 0.461 nan 8.310 nan 0.000 0.480 657 F N -0.600 119.287 119.950 -0.106 0.000 2.561 657 F HA 0.886 5.414 4.527 0.001 0.000 0.321 657 F C -2.973 172.595 175.800 -0.387 0.000 1.065 657 F CA -3.112 54.824 58.000 -0.107 0.000 0.934 657 F CB 0.410 39.367 39.000 -0.070 0.000 1.215 657 F HN -0.187 nan 8.300 nan 0.000 0.471 658 P HA 0.170 nan 4.420 nan 0.000 0.271 658 P C -2.719 174.509 177.300 -0.119 0.000 1.233 658 P CA -1.109 61.812 63.100 -0.298 0.000 0.789 658 P CB -0.063 31.820 31.700 0.305 0.000 0.951 659 P HA -0.025 nan 4.420 nan 0.000 0.265 659 P C 1.015 178.204 177.300 -0.185 0.000 1.187 659 P CA 0.775 63.246 63.100 -1.048 0.000 0.766 659 P CB -0.149 30.851 31.700 -1.167 0.000 0.820 660 T N -0.731 113.814 114.554 -0.016 0.000 3.107 660 T HA 0.115 4.465 4.350 0.001 0.000 0.249 660 T C -0.052 174.785 174.700 0.229 0.000 1.096 660 T CA 0.328 62.604 62.100 0.293 0.000 1.012 660 T CB -0.483 68.622 68.868 0.395 0.000 0.977 660 T HN 0.359 nan 8.240 nan 0.000 0.527 661 Y N 0.937 121.129 120.300 -0.179 0.000 2.534 661 Y HA 0.580 5.130 4.550 0.001 0.000 0.345 661 Y C -0.957 174.755 175.900 -0.314 0.000 1.031 661 Y CA -1.775 56.152 58.100 -0.289 0.000 1.022 661 Y CB 1.651 39.907 38.460 -0.339 0.000 1.292 661 Y HN -0.039 nan 8.280 nan 0.000 0.459 662 R N 5.266 125.380 120.500 -0.644 0.000 2.360 662 R HA 0.371 4.711 4.340 0.001 0.000 0.318 662 R C -1.883 174.255 176.300 -0.269 0.000 0.950 662 R CA -0.432 55.149 56.100 -0.864 0.000 0.837 662 R CB 0.596 30.039 30.300 -1.428 0.000 1.165 662 R HN 0.753 nan 8.270 nan 0.000 0.458 663 Y N 1.604 121.869 120.300 -0.059 0.000 2.307 663 Y HA 0.143 4.694 4.550 0.001 0.000 0.324 663 Y C 0.742 176.613 175.900 -0.047 0.000 1.238 663 Y CA -0.107 57.964 58.100 -0.049 0.000 1.280 663 Y CB 0.948 39.364 38.460 -0.074 0.000 1.248 663 Y HN 0.375 nan 8.280 nan 0.000 0.508 664 E N 2.697 122.986 120.200 0.148 0.000 2.316 664 E HA 0.126 4.476 4.350 0.001 0.000 0.275 664 E C -0.349 176.294 176.600 0.071 0.000 1.029 664 E CA -0.358 56.088 56.400 0.076 0.000 0.871 664 E CB 0.666 30.396 29.700 0.051 0.000 1.022 664 E HN 0.486 nan 8.360 nan 0.000 0.418 665 R N 0.420 120.953 120.500 0.056 0.000 2.623 665 R HA 0.174 4.514 4.340 0.001 0.000 0.271 665 R C 1.108 177.420 176.300 0.021 0.000 1.043 665 R CA 1.016 57.145 56.100 0.048 0.000 1.083 665 R CB 0.394 30.724 30.300 0.050 0.000 0.974 665 R HN 0.895 nan 8.270 nan 0.000 0.436 666 G N 0.532 109.337 108.800 0.008 0.000 2.307 666 G HA2 -0.272 3.688 3.960 0.001 0.000 0.210 666 G HA3 -0.272 3.688 3.960 0.001 0.000 0.210 666 G C 0.001 174.885 174.900 -0.028 0.000 1.005 666 G CA 0.071 45.168 45.100 -0.005 0.000 0.634 666 G HN 0.737 nan 8.290 nan 0.000 0.496 667 S N -1.479 114.192 115.700 -0.048 0.000 2.998 667 S HA 0.846 5.317 4.470 0.001 0.000 0.321 667 S C -0.077 174.418 174.600 -0.175 0.000 1.171 667 S CA -0.647 57.502 58.200 -0.085 0.000 0.882 667 S CB 1.605 64.772 63.200 -0.056 0.000 1.301 667 S HN 0.238 nan 8.310 nan 0.000 0.629 668 R N 0.150 120.512 120.500 -0.230 0.000 2.642 668 R HA 0.329 4.670 4.340 0.001 0.000 0.435 668 R C -0.767 175.403 176.300 -0.218 0.000 1.046 668 R CA -0.099 55.725 56.100 -0.459 0.000 1.103 668 R CB -0.069 29.852 30.300 -0.632 0.000 1.425 668 R HN 0.565 nan 8.270 nan 0.000 0.586 669 D N 0.353 120.697 120.400 -0.093 0.000 2.240 669 D HA 0.014 4.654 4.640 0.001 0.000 0.206 669 D C 0.117 176.404 176.300 -0.021 0.000 0.963 669 D CA 1.251 55.230 54.000 -0.035 0.000 0.863 669 D CB 0.556 41.348 40.800 -0.014 0.000 0.973 669 D HN -0.049 nan 8.370 nan 0.000 0.501 670 T N 0.103 114.659 114.554 0.003 0.000 2.829 670 T HA 0.340 4.691 4.350 0.001 0.000 0.280 670 T C -0.744 173.973 174.700 0.029 0.000 0.999 670 T CA -0.560 61.562 62.100 0.038 0.000 0.983 670 T CB 1.284 70.194 68.868 0.070 0.000 0.968 670 T HN -0.160 nan 8.240 nan 0.000 0.446 671 Y N 1.782 122.147 120.300 0.108 0.000 2.404 671 Y HA 0.490 5.040 4.550 0.001 0.000 0.344 671 Y C 0.768 176.721 175.900 0.088 0.000 0.970 671 Y CA -1.210 56.882 58.100 -0.013 0.000 1.180 671 Y CB 0.603 38.996 38.460 -0.111 0.000 1.138 671 Y HN 0.824 nan 8.280 nan 0.000 0.510 672 A N 5.766 128.671 122.820 0.141 0.000 2.500 672 A HA -0.004 4.317 4.320 0.001 0.000 0.285 672 A C 0.650 178.271 177.584 0.061 0.000 1.183 672 A CA -0.186 51.876 52.037 0.042 0.000 0.851 672 A CB -0.605 18.369 19.000 -0.044 0.000 1.091 672 A HN 1.055 nan 8.150 nan 0.000 0.521 673 W N 2.322 123.612 121.300 -0.017 0.000 2.868 673 W HA 0.310 4.970 4.660 0.001 0.000 0.320 673 W C -0.320 176.246 176.519 0.077 0.000 1.076 673 W CA 0.328 57.661 57.345 -0.019 0.000 1.576 673 W CB -0.092 29.352 29.460 -0.028 0.000 1.030 673 W HN 0.853 nan 8.180 nan 0.000 0.558 674 H N 0.665 119.225 119.070 -0.850 0.000 3.188 674 H HA 0.463 5.020 4.556 0.001 0.000 0.325 674 H C -1.548 173.458 175.328 -0.537 0.000 1.033 674 H CA -0.285 55.281 56.048 -0.803 0.000 1.443 674 H CB 1.418 30.310 29.762 -1.450 0.000 1.968 674 H HN -0.127 nan 8.280 nan 0.000 0.449 684 N N 2.822 121.615 118.700 0.155 0.000 2.402 684 N HA 0.275 5.016 4.740 0.001 0.000 0.252 684 N C 0.733 176.327 175.510 0.140 0.000 1.118 684 N CA -0.108 53.032 53.050 0.150 0.000 0.945 684 N CB 1.658 40.211 38.487 0.111 0.000 1.147 684 N HN 0.581 nan 8.380 nan 0.000 0.495 685 V N 1.312 121.289 119.914 0.105 0.000 2.637 685 V HA 0.298 4.419 4.120 0.001 0.000 0.296 685 V C -2.140 173.889 176.094 -0.107 0.000 1.046 685 V CA -1.793 60.504 62.300 -0.005 0.000 1.066 685 V CB 0.093 31.896 31.823 -0.033 0.000 0.968 685 V HN 0.367 nan 8.190 nan 0.000 0.483 686 P HA 0.285 nan 4.420 nan 0.000 0.267 686 P C -0.298 176.755 177.300 -0.412 0.000 1.200 686 P CA 0.434 63.199 63.100 -0.559 0.000 0.772 686 P CB 0.530 31.508 31.700 -1.203 0.000 0.855 687 S N 0.495 115.995 115.700 -0.333 0.000 2.588 687 S HA 0.341 4.811 4.470 0.001 0.000 0.269 687 S C -1.367 173.086 174.600 -0.245 0.000 1.157 687 S CA -0.595 57.457 58.200 -0.247 0.000 0.824 687 S CB 0.978 64.188 63.200 0.016 0.000 1.126 687 S HN 0.388 nan 8.310 nan 0.000 0.464 688 W N 1.922 123.242 121.300 0.033 0.000 1.864 688 W HA 0.209 4.870 4.660 0.001 0.000 0.425 688 W C 0.468 177.069 176.519 0.136 0.000 0.791 688 W CA -0.925 56.467 57.345 0.078 0.000 1.650 688 W CB -0.156 29.294 29.460 -0.017 0.000 1.791 688 W HN 0.659 nan 8.180 nan 0.000 0.266 689 C N -0.086 119.389 119.300 0.291 0.000 2.446 689 C HA -0.068 4.392 4.460 0.001 0.000 0.279 689 C C 0.790 175.974 174.990 0.324 0.000 1.366 689 C CA 0.742 59.908 59.018 0.248 0.000 1.763 689 C CB -0.563 27.251 27.740 0.123 0.000 1.929 689 C HN 0.347 nan 8.230 nan 0.000 0.509 690 D N 1.794 122.431 120.400 0.395 0.000 2.414 690 D HA 0.347 4.987 4.640 0.001 0.000 0.232 690 D C -0.129 176.424 176.300 0.422 0.000 1.070 690 D CA 0.012 54.243 54.000 0.386 0.000 0.839 690 D CB 1.130 42.161 40.800 0.384 0.000 1.079 690 D HN 0.318 nan 8.370 nan 0.000 0.521 691 R N 1.540 122.292 120.500 0.420 0.000 2.888 691 R HA 0.645 4.986 4.340 0.001 0.000 0.266 691 R C -0.331 176.282 176.300 0.523 0.000 1.020 691 R CA -0.883 55.490 56.100 0.456 0.000 0.963 691 R CB 1.959 32.424 30.300 0.275 0.000 1.197 691 R HN 0.399 nan 8.270 nan 0.000 0.481 692 I N 2.637 123.544 120.570 0.562 0.000 2.447 692 I HA 0.363 4.533 4.170 0.001 0.000 0.287 692 I C -0.871 175.490 176.117 0.406 0.000 1.023 692 I CA -0.774 60.852 61.300 0.542 0.000 1.083 692 I CB 1.549 39.864 38.000 0.525 0.000 1.245 692 I HN 0.164 nan 8.210 nan 0.000 0.434 693 L N 5.822 127.332 121.223 0.478 0.000 2.301 693 L HA 0.695 5.036 4.340 0.001 0.000 0.264 693 L C -1.101 176.203 176.870 0.723 0.000 1.016 693 L CA -0.346 54.724 54.840 0.383 0.000 0.821 693 L CB 1.699 43.780 42.059 0.037 0.000 1.346 693 L HN 0.679 nan 8.230 nan 0.000 0.429 694 W N 0.230 121.762 121.300 0.386 0.000 3.213 694 W HA 0.718 5.378 4.660 0.001 0.000 0.318 694 W C -1.485 174.877 176.519 -0.261 0.000 1.248 694 W CA -1.101 56.269 57.345 0.041 0.000 1.187 694 W CB 1.208 30.457 29.460 -0.351 0.000 1.403 694 W HN 0.455 nan 8.180 nan 0.000 0.556 695 K N 3.370 123.483 120.400 -0.478 0.000 2.621 695 K HA 0.521 4.842 4.320 0.001 0.000 0.233 695 K C -0.715 175.564 176.600 -0.535 0.000 0.972 695 K CA -0.220 55.609 56.287 -0.763 0.000 0.988 695 K CB 1.281 32.931 32.500 -1.416 0.000 1.187 695 K HN 0.574 nan 8.250 nan 0.000 0.471 696 S N 1.837 117.361 115.700 -0.295 0.000 2.607 696 S HA 0.445 4.915 4.470 0.001 0.000 0.272 696 S C -0.883 173.433 174.600 -0.474 0.000 1.166 696 S CA -0.402 57.588 58.200 -0.351 0.000 1.021 696 S CB 0.269 63.478 63.200 0.016 0.000 1.113 696 S HN 0.431 nan 8.310 nan 0.000 0.531 697 Y N 0.528 120.597 120.300 -0.385 0.000 2.602 697 Y HA 0.460 5.011 4.550 0.001 0.000 0.342 697 Y C -2.357 173.387 175.900 -0.260 0.000 1.029 697 Y CA -2.458 55.467 58.100 -0.292 0.000 1.080 697 Y CB 0.177 38.457 38.460 -0.301 0.000 1.284 697 Y HN 0.356 nan 8.280 nan 0.000 0.485 698 P HA 0.050 nan 4.420 nan 0.000 0.262 698 P C -0.012 177.161 177.300 -0.212 0.000 1.182 698 P CA 0.958 63.988 63.100 -0.116 0.000 0.761 698 P CB 0.421 32.066 31.700 -0.092 0.000 0.795 699 E N 0.131 120.086 120.200 -0.410 0.000 4.129 699 E HA -0.167 4.183 4.350 0.001 0.000 0.354 699 E C 0.999 177.426 176.600 -0.288 0.000 0.673 699 E CA 1.865 58.044 56.400 -0.369 0.000 1.347 699 E CB -1.812 27.808 29.700 -0.133 0.000 1.722 699 E HN 0.678 nan 8.360 nan 0.000 0.410 700 T N -3.386 111.006 114.554 -0.270 0.000 2.983 700 T HA 0.134 4.484 4.350 0.001 0.000 0.250 700 T C 0.595 175.346 174.700 0.085 0.000 1.037 700 T CA 0.998 63.074 62.100 -0.040 0.000 1.142 700 T CB 0.174 69.061 68.868 0.032 0.000 0.876 700 T HN 0.440 nan 8.240 nan 0.000 0.455 701 H N 0.684 119.847 119.070 0.155 0.000 4.671 701 H HA -0.064 4.492 4.556 0.001 0.000 0.255 701 H C -0.733 174.673 175.328 0.130 0.000 0.534 701 H CA 0.426 56.560 56.048 0.145 0.000 0.679 701 H CB -0.431 29.387 29.762 0.094 0.000 0.930 701 H HN 0.694 nan 8.280 nan 0.000 0.302 702 I N 1.515 122.246 120.570 0.269 0.000 2.750 702 I HA 0.289 4.460 4.170 0.001 0.000 0.283 702 I C -1.588 174.606 176.117 0.129 0.000 1.464 702 I CA -0.673 60.707 61.300 0.133 0.000 1.093 702 I CB 0.604 38.642 38.000 0.063 0.000 1.417 702 I HN 0.402 nan 8.210 nan 0.000 0.424 703 I N 6.551 127.160 120.570 0.065 0.000 2.525 703 I HA 0.327 4.498 4.170 0.001 0.000 0.301 703 I C -0.131 175.919 176.117 -0.110 0.000 0.992 703 I CA -0.655 60.653 61.300 0.014 0.000 1.162 703 I CB 1.608 39.610 38.000 0.003 0.000 1.332 703 I HN 0.700 nan 8.210 nan 0.000 0.458 704 C N 6.420 125.595 119.300 -0.207 0.000 2.225 704 C HA 0.356 4.817 4.460 0.001 0.000 0.323 704 C C 1.437 176.248 174.990 -0.298 0.000 1.164 704 C CA -0.495 58.207 59.018 -0.526 0.000 1.565 704 C CB -1.159 26.256 27.740 -0.542 0.000 2.124 704 C HN 0.776 nan 8.230 nan 0.000 0.461 705 N N 2.055 120.579 118.700 -0.293 0.000 2.216 705 N HA 0.007 4.748 4.740 0.001 0.000 0.183 705 N C 0.529 175.997 175.510 -0.069 0.000 1.017 705 N CA 1.313 54.285 53.050 -0.130 0.000 0.861 705 N CB 0.159 38.590 38.487 -0.094 0.000 0.986 705 N HN 0.850 nan 8.380 nan 0.000 0.428 706 S N -1.736 113.902 115.700 -0.104 0.000 2.564 706 S HA 0.566 5.036 4.470 0.001 0.000 0.274 706 S C -1.720 172.971 174.600 0.153 0.000 1.124 706 S CA -0.825 57.421 58.200 0.077 0.000 0.869 706 S CB 2.278 65.563 63.200 0.141 0.000 1.105 706 S HN 0.128 nan 8.310 nan 0.000 0.472 707 Y N 0.316 120.675 120.300 0.098 0.000 2.275 707 Y HA 0.615 5.166 4.550 0.001 0.000 0.319 707 Y C -0.289 175.549 175.900 -0.103 0.000 1.204 707 Y CA 0.248 58.359 58.100 0.019 0.000 1.136 707 Y CB 1.116 39.632 38.460 0.093 0.000 1.228 707 Y HN 1.416 nan 8.280 nan 0.000 0.413 708 G N 1.781 109.982 108.800 -0.999 0.000 2.427 708 G HA2 0.556 4.516 3.960 0.001 0.000 0.306 708 G HA3 0.556 4.516 3.960 0.001 0.000 0.306 708 G C -1.349 172.194 174.900 -2.262 0.000 1.280 708 G CA -0.162 43.994 45.100 -1.574 0.000 0.837 708 G HN 1.257 nan 8.290 nan 0.000 0.482 709 C N -1.269 117.146 119.300 -1.474 0.000 3.154 709 C HA 0.971 5.431 4.460 0.001 0.000 0.312 709 C C 0.752 175.684 174.990 -0.097 0.000 1.349 709 C CA 0.152 58.689 59.018 -0.801 0.000 1.518 709 C CB 1.023 28.434 27.740 -0.547 0.000 1.934 709 C HN 1.493 nan 8.230 nan 0.000 0.462 710 T N -1.439 113.122 114.554 0.013 0.000 2.824 710 T HA 0.638 4.988 4.350 0.001 0.000 0.277 710 T C 0.110 174.787 174.700 -0.039 0.000 0.975 710 T CA 0.544 62.689 62.100 0.074 0.000 0.966 710 T CB 1.210 70.067 68.868 -0.017 0.000 1.054 710 T HN 0.957 nan 8.240 nan 0.000 0.533 711 D N -2.073 118.302 120.400 -0.042 0.000 2.516 711 D HA 0.086 4.727 4.640 0.001 0.000 0.241 711 D C 0.580 176.813 176.300 -0.112 0.000 1.246 711 D CA -0.244 53.695 54.000 -0.102 0.000 0.808 711 D CB 0.048 40.819 40.800 -0.049 0.000 1.147 711 D HN 0.627 nan 8.370 nan 0.000 0.527 712 D N 0.621 120.968 120.400 -0.088 0.000 2.433 712 D HA 0.086 4.726 4.640 0.001 0.000 0.211 712 D C 0.297 176.539 176.300 -0.097 0.000 1.114 712 D CA -0.253 53.699 54.000 -0.080 0.000 0.837 712 D CB 0.409 41.180 40.800 -0.049 0.000 0.984 712 D HN 0.268 nan 8.370 nan 0.000 0.505 713 I N 2.090 122.572 120.570 -0.148 0.000 2.307 713 I HA 0.117 4.287 4.170 0.001 0.000 0.287 713 I C 0.545 176.582 176.117 -0.134 0.000 1.054 713 I CA -0.791 60.403 61.300 -0.178 0.000 1.218 713 I CB 1.848 39.614 38.000 -0.390 0.000 1.398 713 I HN -0.137 nan 8.210 nan 0.000 0.475 714 V N 1.473 121.362 119.914 -0.042 0.000 2.915 714 V HA 0.134 4.255 4.120 0.001 0.000 0.364 714 V C 1.108 177.244 176.094 0.071 0.000 1.354 714 V CA 0.048 62.337 62.300 -0.019 0.000 1.213 714 V CB -0.190 31.595 31.823 -0.063 0.000 1.268 714 V HN 0.767 nan 8.190 nan 0.000 0.557 715 T N -3.066 111.589 114.554 0.169 0.000 3.065 715 T HA 0.250 4.600 4.350 0.001 0.000 0.252 715 T C 0.862 175.674 174.700 0.186 0.000 1.099 715 T CA 0.788 62.994 62.100 0.177 0.000 1.063 715 T CB 0.223 69.220 68.868 0.214 0.000 0.948 715 T HN 0.714 nan 8.240 nan 0.000 0.506 716 S N 1.362 117.230 115.700 0.280 0.000 2.599 716 S HA 0.393 4.864 4.470 0.001 0.000 0.294 716 S C -0.011 174.763 174.600 0.290 0.000 1.094 716 S CA -0.528 57.835 58.200 0.271 0.000 0.931 716 S CB 1.685 65.101 63.200 0.360 0.000 1.093 716 S HN 0.265 nan 8.310 nan 0.000 0.488 717 D N 0.926 121.484 120.400 0.263 0.000 2.363 717 D HA -0.002 4.639 4.640 0.001 0.000 0.226 717 D C 0.163 176.634 176.300 0.285 0.000 1.020 717 D CA 0.645 54.779 54.000 0.223 0.000 0.892 717 D CB -0.443 40.419 40.800 0.102 0.000 0.900 717 D HN 0.586 nan 8.370 nan 0.000 0.531 718 H N -0.113 119.193 119.070 0.393 0.000 2.492 718 H HA 0.380 4.936 4.556 0.001 0.000 0.345 718 H C -0.253 175.337 175.328 0.436 0.000 1.136 718 H CA -0.783 55.544 56.048 0.465 0.000 1.202 718 H CB 1.759 31.789 29.762 0.447 0.000 1.524 718 H HN -0.115 nan 8.280 nan 0.000 0.506 719 S N 4.024 119.990 115.700 0.443 0.000 2.545 719 S HA 0.158 4.628 4.470 0.001 0.000 0.275 719 S C -2.122 172.431 174.600 -0.078 0.000 1.299 719 S CA -1.182 57.070 58.200 0.086 0.000 1.048 719 S CB 0.898 64.134 63.200 0.061 0.000 0.938 719 S HN 0.483 nan 8.310 nan 0.000 0.496 720 P HA 0.203 nan 4.420 nan 0.000 0.271 720 P C -0.940 176.184 177.300 -0.293 0.000 1.218 720 P CA -0.266 62.376 63.100 -0.764 0.000 0.780 720 P CB 0.544 31.158 31.700 -1.809 0.000 0.901 721 V N 3.555 123.450 119.914 -0.031 0.000 2.715 721 V HA 0.538 4.658 4.120 0.001 0.000 0.310 721 V C 0.089 176.305 176.094 0.204 0.000 1.054 721 V CA -0.345 61.875 62.300 -0.132 0.000 0.928 721 V CB 1.132 32.904 31.823 -0.085 0.000 1.007 721 V HN 0.517 nan 8.190 nan 0.000 0.437 722 F N 0.671 120.692 119.950 0.117 0.000 2.631 722 F HA 1.030 5.557 4.527 0.001 0.000 0.328 722 F C 0.157 175.892 175.800 -0.108 0.000 1.067 722 F CA -1.655 56.304 58.000 -0.068 0.000 0.969 722 F CB 2.003 40.998 39.000 -0.009 0.000 1.332 722 F HN 0.672 nan 8.300 nan 0.000 0.490 723 G N 0.197 108.952 108.800 -0.076 0.000 2.635 723 G HA2 0.510 4.471 3.960 0.001 0.000 0.295 723 G HA3 0.510 4.471 3.960 0.001 0.000 0.295 723 G C -1.715 172.982 174.900 -0.338 0.000 1.359 723 G CA -0.671 44.399 45.100 -0.049 0.000 1.232 723 G HN 0.965 nan 8.290 nan 0.000 0.597 724 T N -0.564 113.732 114.554 -0.431 0.000 2.829 724 T HA 0.825 5.175 4.350 0.001 0.000 0.280 724 T C -0.750 173.576 174.700 -0.624 0.000 0.999 724 T CA -0.775 61.048 62.100 -0.461 0.000 0.983 724 T CB 1.681 70.327 68.868 -0.370 0.000 0.968 724 T HN 0.276 nan 8.240 nan 0.000 0.446 725 F N 0.346 120.094 119.950 -0.337 0.000 2.577 725 F HA 0.591 5.118 4.527 0.001 0.000 0.318 725 F C 0.276 175.957 175.800 -0.198 0.000 1.065 725 F CA -1.120 56.720 58.000 -0.267 0.000 0.929 725 F CB 2.384 41.227 39.000 -0.262 0.000 1.237 725 F HN 0.638 nan 8.300 nan 0.000 0.468 726 E N 1.898 122.121 120.200 0.038 0.000 2.114 726 E HA 0.618 4.968 4.350 0.001 0.000 0.266 726 E C -1.824 174.787 176.600 0.018 0.000 0.896 726 E CA -0.431 55.975 56.400 0.011 0.000 0.750 726 E CB 1.300 31.001 29.700 0.002 0.000 1.121 726 E HN 0.416 nan 8.360 nan 0.000 0.413 727 V N 3.688 123.594 119.914 -0.013 0.000 2.540 727 V HA 0.574 4.694 4.120 0.001 0.000 0.302 727 V C 0.607 176.675 176.094 -0.044 0.000 1.035 727 V CA -0.791 61.460 62.300 -0.083 0.000 0.873 727 V CB 1.875 33.627 31.823 -0.118 0.000 0.992 727 V HN 0.797 nan 8.190 nan 0.000 0.428 728 G N 3.307 112.098 108.800 -0.015 0.000 2.380 728 G HA2 0.504 4.464 3.960 0.001 0.000 0.262 728 G HA3 0.504 4.464 3.960 0.001 0.000 0.262 728 G C -0.528 174.417 174.900 0.075 0.000 1.243 728 G CA -0.063 45.067 45.100 0.051 0.000 0.865 728 G HN 0.548 nan 8.290 nan 0.000 0.513 729 V N 1.255 121.223 119.914 0.090 0.000 3.019 729 V HA 0.874 4.994 4.120 0.001 0.000 0.317 729 V C 0.521 176.701 176.094 0.143 0.000 1.094 729 V CA -0.385 62.006 62.300 0.151 0.000 1.000 729 V CB 2.088 34.019 31.823 0.180 0.000 1.060 729 V HN 1.146 nan 8.190 nan 0.000 0.443 730 T N -1.413 113.238 114.554 0.162 0.000 2.864 730 T HA 0.569 4.920 4.350 0.001 0.000 0.299 730 T C -0.207 174.571 174.700 0.131 0.000 1.166 730 T CA -0.263 61.912 62.100 0.124 0.000 1.007 730 T CB 1.777 70.698 68.868 0.089 0.000 1.219 730 T HN 0.814 nan 8.240 nan 0.000 0.506 731 S N 0.000 115.759 115.700 0.099 0.000 2.498 731 S HA 0.000 4.470 4.470 0.001 0.000 0.327 731 S CA 0.000 58.251 58.200 0.085 0.000 1.107 731 S CB 0.000 63.239 63.200 0.065 0.000 0.593 731 S HN 0.000 nan 8.310 nan 0.000 0.517