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 1bot_1_O DATA FIRST_RESID 3 DATA SEQUENCE KKYIVALDQG TTSSRAVVMD HDANIISVSQ REFEQIYPKP GWVEHDPMEI DATA SEQUENCE WATQSSTLVE VLAKADISSD QIAAIGITNQ RETTIVWEKE TGKPIYNAIV DATA SEQUENCE WQCRRTAEIC EHLKRDGLED YIRSNTGLVI DPYFSGTKVK WILDHVEGSR DATA SEQUENCE ERARRGELLF GTVDTWLIWK MTQGRVHVTD YTNASRTMLF NIHTLDWDDK DATA SEQUENCE MLEVLDIPRE MLPEVRRSSE VYGQTNIGGK GGTRIPISGI AGDQQAALFG DATA SEQUENCE QLCVKEGMAK NTYGTGCFML MNTGEKAVKS ENGLLTTIAC GPTGEVNYAL DATA SEQUENCE EGAVFMAGAS IQWLRDEMKL INDAYDSEYF ATKVQNTNGV YVVPAFTGLG DATA SEQUENCE APYWDPYARG AIFGLTRGVN ANHIIRATLE SIAYQTRDVL EAMQADSGIR DATA SEQUENCE LHALRVDGGA VANNFLMQFQ SDILGTRVER PEVREVTALG AAYLAGLAVG DATA SEQUENCE FWQNLDELQE KAVIEREFRP GIETTERNYR YAGWKKAVKR AMAWEEH 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.613 176.600 0.022 0.000 0.988 3 K CA 0.000 56.300 56.287 0.022 0.000 0.838 3 K CB 0.000 32.522 32.500 0.037 0.000 1.064 4 K N 0.108 120.435 120.400 -0.122 0.000 2.372 4 K HA 0.185 4.505 4.320 -0.000 0.000 0.200 4 K C -0.314 175.964 176.600 -0.538 0.000 1.022 4 K CA 0.068 56.173 56.287 -0.303 0.000 1.125 4 K CB 0.170 32.285 32.500 -0.642 0.000 0.855 4 K HN 0.188 nan 8.250 nan 0.000 0.524 5 Y N 0.354 120.620 120.300 -0.058 0.000 2.479 5 Y HA 0.362 4.912 4.550 -0.000 0.000 0.338 5 Y C -0.435 175.232 175.900 -0.388 0.000 1.055 5 Y CA -1.691 56.270 58.100 -0.232 0.000 1.023 5 Y CB 1.012 39.426 38.460 -0.078 0.000 1.287 5 Y HN -0.210 nan 8.280 nan 0.000 0.447 6 I N 3.082 123.451 120.570 -0.335 0.000 2.396 6 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 6 I C -0.352 175.754 176.117 -0.018 0.000 0.999 6 I CA -0.917 60.234 61.300 -0.249 0.000 1.310 6 I CB 1.409 39.221 38.000 -0.314 0.000 1.404 6 I HN 0.459 nan 8.210 nan 0.000 0.496 7 V N 5.766 125.677 119.914 -0.006 0.000 2.588 7 V HA 0.785 4.905 4.120 -0.000 0.000 0.304 7 V C -0.282 175.827 176.094 0.026 0.000 1.042 7 V CA -0.580 61.726 62.300 0.010 0.000 0.877 7 V CB 1.923 33.739 31.823 -0.011 0.000 0.996 7 V HN 0.877 nan 8.190 nan 0.000 0.425 8 A N 6.413 129.248 122.820 0.026 0.000 2.303 8 A HA 0.830 5.150 4.320 -0.000 0.000 0.320 8 A C -1.307 176.286 177.584 0.014 0.000 1.192 8 A CA -0.512 51.542 52.037 0.028 0.000 0.821 8 A CB 0.970 19.986 19.000 0.027 0.000 1.188 8 A HN 0.635 nan 8.150 nan 0.000 0.492 9 L N 2.832 124.064 121.223 0.016 0.000 2.262 9 L HA 0.362 4.702 4.340 -0.000 0.000 0.288 9 L C -0.291 176.592 176.870 0.023 0.000 1.035 9 L CA 0.016 54.862 54.840 0.011 0.000 0.820 9 L CB 1.018 43.081 42.059 0.008 0.000 1.204 9 L HN 0.664 nan 8.230 nan 0.000 0.424 10 D N 3.141 123.558 120.400 0.028 0.000 2.485 10 D HA 0.078 4.718 4.640 -0.000 0.000 0.229 10 D C -0.302 176.044 176.300 0.076 0.000 1.101 10 D CA -0.303 53.725 54.000 0.046 0.000 0.906 10 D CB 0.791 41.616 40.800 0.041 0.000 1.019 10 D HN 0.254 nan 8.370 nan 0.000 0.516 11 Q N 2.698 122.551 119.800 0.088 0.000 2.534 11 Q HA 0.316 4.656 4.340 -0.000 0.000 0.223 11 Q C 0.272 176.390 176.000 0.196 0.000 1.239 11 Q CA -0.373 55.509 55.803 0.131 0.000 0.936 11 Q CB 0.592 29.391 28.738 0.102 0.000 1.457 11 Q HN 0.594 nan 8.270 nan 0.000 0.547 12 G N 1.334 110.282 108.800 0.246 0.000 2.653 12 G HA2 0.120 4.080 3.960 -0.000 0.000 0.265 12 G HA3 0.120 4.080 3.960 -0.000 0.000 0.265 12 G C 0.862 176.029 174.900 0.445 0.000 1.237 12 G CA -0.045 45.223 45.100 0.279 0.000 0.946 12 G HN 0.560 nan 8.290 nan 0.000 0.522 13 T N -1.387 113.428 114.554 0.435 0.000 2.951 13 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 13 T C 1.953 176.851 174.700 0.331 0.000 1.073 13 T CA 1.729 64.172 62.100 0.571 0.000 1.134 13 T CB -0.037 69.202 68.868 0.618 0.000 0.884 13 T HN 0.404 nan 8.240 nan 0.000 0.479 14 T N 0.992 115.520 114.554 -0.043 0.000 2.955 14 T HA 0.297 4.647 4.350 -0.000 0.000 0.251 14 T C 0.225 174.377 174.700 -0.913 0.000 1.002 14 T CA 0.304 62.096 62.100 -0.513 0.000 0.970 14 T CB 0.244 69.027 68.868 -0.142 0.000 1.091 14 T HN 0.562 nan 8.240 nan 0.000 0.495 15 S N -0.226 115.250 115.700 -0.373 0.000 2.543 15 S HA 0.593 5.063 4.470 -0.000 0.000 0.274 15 S C -1.132 173.611 174.600 0.239 0.000 1.149 15 S CA -0.759 57.393 58.200 -0.081 0.000 0.866 15 S CB 1.794 64.954 63.200 -0.066 0.000 1.111 15 S HN -0.059 nan 8.310 nan 0.000 0.457 16 S N 1.236 117.101 115.700 0.274 0.000 2.499 16 S HA 0.640 5.110 4.470 -0.000 0.000 0.279 16 S C -0.030 174.618 174.600 0.080 0.000 1.219 16 S CA -0.623 57.684 58.200 0.178 0.000 1.062 16 S CB 0.600 63.880 63.200 0.133 0.000 0.978 16 S HN 0.668 nan 8.310 nan 0.000 0.489 17 R N 0.960 121.495 120.500 0.058 0.000 2.888 17 R HA 0.821 5.161 4.340 -0.000 0.000 0.266 17 R C -1.501 174.803 176.300 0.007 0.000 1.020 17 R CA -0.617 55.500 56.100 0.029 0.000 0.963 17 R CB 1.630 31.952 30.300 0.037 0.000 1.197 17 R HN 0.663 nan 8.270 nan 0.000 0.481 18 A N 1.548 124.366 122.820 -0.004 0.000 2.459 18 A HA 0.621 4.941 4.320 -0.000 0.000 0.296 18 A C -1.623 175.953 177.584 -0.013 0.000 1.039 18 A CA -0.552 51.475 52.037 -0.016 0.000 0.698 18 A CB 1.676 20.654 19.000 -0.036 0.000 1.261 18 A HN 0.353 nan 8.150 nan 0.000 0.405 19 V N 1.721 121.630 119.914 -0.008 0.000 2.789 19 V HA 0.605 4.725 4.120 -0.000 0.000 0.311 19 V C -0.527 175.565 176.094 -0.003 0.000 1.073 19 V CA -0.731 61.567 62.300 -0.003 0.000 0.921 19 V CB 1.934 33.763 31.823 0.010 0.000 1.009 19 V HN 0.720 nan 8.190 nan 0.000 0.426 20 V N 5.307 125.214 119.914 -0.012 0.000 2.417 20 V HA 0.643 4.763 4.120 -0.000 0.000 0.291 20 V C -0.176 175.956 176.094 0.064 0.000 1.024 20 V CA -0.277 62.009 62.300 -0.022 0.000 0.861 20 V CB 1.489 33.227 31.823 -0.141 0.000 0.985 20 V HN 0.923 nan 8.190 nan 0.000 0.436 21 M N 5.087 124.778 119.600 0.153 0.000 2.446 21 M HA 0.597 5.077 4.480 -0.000 0.000 0.294 21 M C -1.542 174.991 176.300 0.388 0.000 1.158 21 M CA -0.607 54.850 55.300 0.261 0.000 0.899 21 M CB 2.406 35.160 32.600 0.257 0.000 1.687 21 M HN 0.712 nan 8.290 nan 0.000 0.455 22 D N 1.239 121.909 120.400 0.450 0.000 2.432 22 D HA 0.135 4.775 4.640 -0.000 0.000 0.258 22 D C 0.810 177.496 176.300 0.643 0.000 1.146 22 D CA -0.018 54.264 54.000 0.471 0.000 1.015 22 D CB 0.267 41.291 40.800 0.374 0.000 1.107 22 D HN 0.815 nan 8.370 nan 0.000 0.529 23 H N -0.302 119.095 119.070 0.545 0.000 2.394 23 H HA -0.179 4.377 4.556 -0.000 0.000 0.297 23 H C 0.269 175.935 175.328 0.563 0.000 1.113 23 H CA 1.947 58.190 56.048 0.324 0.000 1.277 23 H CB 0.135 29.709 29.762 -0.313 0.000 1.370 23 H HN 0.484 nan 8.280 nan 0.000 0.506 24 D N -0.422 120.222 120.400 0.407 0.000 2.378 24 D HA 0.148 4.788 4.640 -0.000 0.000 0.227 24 D C 0.894 177.376 176.300 0.304 0.000 1.012 24 D CA 0.758 54.935 54.000 0.295 0.000 0.905 24 D CB -0.069 40.858 40.800 0.213 0.000 0.895 24 D HN 0.471 nan 8.370 nan 0.000 0.532 25 A N 0.360 123.469 122.820 0.483 0.000 2.822 25 A HA -0.229 4.091 4.320 -0.000 0.000 0.287 25 A C -0.046 177.696 177.584 0.264 0.000 1.479 25 A CA 0.263 52.550 52.037 0.417 0.000 0.779 25 A CB -1.982 17.130 19.000 0.187 0.000 1.022 25 A HN 0.294 nan 8.150 nan 0.000 0.532 26 N N -0.771 118.085 118.700 0.261 0.000 2.492 26 N HA 0.627 5.367 4.740 -0.000 0.000 0.289 26 N C -0.284 175.327 175.510 0.168 0.000 1.133 26 N CA -0.443 52.716 53.050 0.182 0.000 0.961 26 N CB 0.733 39.317 38.487 0.161 0.000 1.186 26 N HN 0.272 nan 8.380 nan 0.000 0.493 27 I N 2.665 123.303 120.570 0.112 0.000 2.337 27 I HA 0.072 4.242 4.170 -0.000 0.000 0.291 27 I C 1.593 177.758 176.117 0.080 0.000 1.046 27 I CA -0.147 61.206 61.300 0.089 0.000 1.324 27 I CB 0.317 38.349 38.000 0.054 0.000 1.409 27 I HN 0.414 nan 8.210 nan 0.000 0.494 28 I N 2.769 123.386 120.570 0.078 0.000 2.277 28 I HA 0.027 4.197 4.170 -0.000 0.000 0.243 28 I C 1.014 177.132 176.117 0.002 0.000 1.094 28 I CA 0.917 62.246 61.300 0.049 0.000 1.393 28 I CB -1.067 36.947 38.000 0.024 0.000 1.078 28 I HN 0.678 nan 8.210 nan 0.000 0.417 29 S N -0.022 115.666 115.700 -0.020 0.000 2.547 29 S HA 0.684 5.154 4.470 -0.000 0.000 0.270 29 S C -1.076 173.509 174.600 -0.024 0.000 1.150 29 S CA -0.658 57.524 58.200 -0.029 0.000 0.850 29 S CB 1.934 65.101 63.200 -0.055 0.000 1.118 29 S HN -0.120 nan 8.310 nan 0.000 0.461 30 V N 1.471 121.374 119.914 -0.018 0.000 3.001 30 V HA 0.956 5.076 4.120 -0.000 0.000 0.314 30 V C -0.166 175.917 176.094 -0.018 0.000 1.099 30 V CA -0.640 61.652 62.300 -0.013 0.000 0.989 30 V CB 1.864 33.686 31.823 -0.001 0.000 1.040 30 V HN 1.076 nan 8.190 nan 0.000 0.434 31 S N 1.768 117.458 115.700 -0.017 0.000 2.536 31 S HA 0.648 5.118 4.470 -0.000 0.000 0.271 31 S C -1.431 173.162 174.600 -0.011 0.000 1.134 31 S CA -0.527 57.661 58.200 -0.020 0.000 0.897 31 S CB 1.902 65.082 63.200 -0.033 0.000 1.094 31 S HN 0.860 nan 8.310 nan 0.000 0.473 32 Q N 2.507 122.302 119.800 -0.009 0.000 2.305 32 Q HA 0.618 4.958 4.340 -0.000 0.000 0.271 32 Q C -1.442 174.557 176.000 -0.001 0.000 1.046 32 Q CA -0.628 55.176 55.803 0.001 0.000 0.798 32 Q CB 1.550 30.290 28.738 0.003 0.000 1.286 32 Q HN 0.705 nan 8.270 nan 0.000 0.435 33 R N 1.918 122.426 120.500 0.013 0.000 2.513 33 R HA 0.341 4.681 4.340 -0.000 0.000 0.301 33 R C -1.236 175.086 176.300 0.036 0.000 0.968 33 R CA -0.630 55.482 56.100 0.019 0.000 0.872 33 R CB 1.533 31.844 30.300 0.018 0.000 1.177 33 R HN 0.568 nan 8.270 nan 0.000 0.444 34 E N 2.765 122.960 120.200 -0.008 0.000 2.318 34 E HA 0.349 4.699 4.350 -0.000 0.000 0.265 34 E C -0.743 175.857 176.600 0.000 0.000 1.069 34 E CA -0.240 56.107 56.400 -0.089 0.000 0.893 34 E CB 0.557 30.186 29.700 -0.119 0.000 1.076 34 E HN 0.332 nan 8.360 nan 0.000 0.414 35 F N -2.080 117.835 119.950 -0.058 0.000 2.620 35 F HA 0.520 5.047 4.527 -0.000 0.000 0.320 35 F C -0.007 175.749 175.800 -0.072 0.000 1.069 35 F CA -1.556 56.397 58.000 -0.079 0.000 0.953 35 F CB 0.892 39.817 39.000 -0.125 0.000 1.322 35 F HN 0.327 nan 8.300 nan 0.000 0.479 36 E N 1.069 121.379 120.200 0.183 0.000 2.316 36 E HA 0.130 4.479 4.350 -0.000 0.000 0.275 36 E C -0.976 175.704 176.600 0.134 0.000 1.029 36 E CA -0.576 55.868 56.400 0.073 0.000 0.871 36 E CB 0.852 30.579 29.700 0.046 0.000 1.022 36 E HN 0.602 nan 8.360 nan 0.000 0.418 37 Q N 3.990 123.780 119.800 -0.017 0.000 2.361 37 Q HA 0.300 4.640 4.340 -0.000 0.000 0.250 37 Q C -0.881 174.918 176.000 -0.335 0.000 1.023 37 Q CA 0.005 55.793 55.803 -0.025 0.000 0.915 37 Q CB 0.569 29.272 28.738 -0.059 0.000 1.238 37 Q HN 0.509 nan 8.270 nan 0.000 0.451 38 I N 4.447 124.980 120.570 -0.061 0.000 2.304 38 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 38 I C -0.771 175.373 176.117 0.044 0.000 1.018 38 I CA -0.694 60.532 61.300 -0.123 0.000 1.260 38 I CB 0.454 38.469 38.000 0.026 0.000 1.390 38 I HN 0.494 nan 8.210 nan 0.000 0.475 39 Y N 7.555 127.900 120.300 0.075 0.000 2.902 39 Y HA 0.303 4.853 4.550 -0.000 0.000 0.353 39 Y C -1.490 174.463 175.900 0.090 0.000 1.116 39 Y CA -3.434 54.718 58.100 0.086 0.000 1.222 39 Y CB -0.714 37.789 38.460 0.072 0.000 1.302 39 Y HN 0.500 nan 8.280 nan 0.000 0.590 40 P HA -0.217 nan 4.420 nan 0.000 0.218 40 P C -0.110 177.221 177.300 0.052 0.000 1.147 40 P CA 1.580 64.793 63.100 0.188 0.000 0.827 40 P CB 0.548 32.455 31.700 0.346 0.000 0.778 41 K N -4.116 116.313 120.400 0.049 0.000 2.768 41 K HA 0.192 4.512 4.320 -0.000 0.000 0.283 41 K C -3.526 173.009 176.600 -0.108 0.000 1.078 41 K CA -1.540 54.662 56.287 -0.141 0.000 0.920 41 K CB 0.018 32.249 32.500 -0.447 0.000 1.390 41 K HN -0.344 nan 8.250 nan 0.000 0.389 42 P HA -0.095 nan 4.420 nan 0.000 0.252 42 P C 0.783 178.089 177.300 0.010 0.000 1.126 42 P CA 2.297 65.378 63.100 -0.032 0.000 0.777 42 P CB -0.255 31.432 31.700 -0.023 0.000 0.711 43 G N 0.721 109.558 108.800 0.061 0.000 2.176 43 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.232 43 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.232 43 G C -0.581 174.566 174.900 0.412 0.000 0.986 43 G CA -0.676 44.523 45.100 0.166 0.000 0.643 43 G HN 0.351 nan 8.290 nan 0.000 0.522 44 W N -0.177 121.066 121.300 -0.095 0.000 2.627 44 W HA 0.740 5.400 4.660 -0.000 0.000 0.339 44 W C -0.103 176.380 176.519 -0.060 0.000 1.058 44 W CA -1.317 55.975 57.345 -0.089 0.000 1.223 44 W CB 1.954 31.392 29.460 -0.035 0.000 1.389 44 W HN 0.383 nan 8.180 nan 0.000 0.541 45 V N 2.155 122.098 119.914 0.047 0.000 2.610 45 V HA 0.369 4.489 4.120 -0.000 0.000 0.298 45 V C -0.407 175.612 176.094 -0.124 0.000 1.067 45 V CA -1.232 61.081 62.300 0.022 0.000 0.894 45 V CB 1.346 33.079 31.823 -0.150 0.000 1.015 45 V HN 0.530 nan 8.190 nan 0.000 0.432 46 E N 2.208 122.392 120.200 -0.028 0.000 2.355 46 E HA 0.727 5.077 4.350 -0.000 0.000 0.261 46 E C -1.324 175.271 176.600 -0.009 0.000 0.943 46 E CA -1.024 55.336 56.400 -0.066 0.000 0.806 46 E CB 2.797 32.512 29.700 0.026 0.000 1.286 46 E HN 0.809 nan 8.360 nan 0.000 0.424 47 H N -0.279 118.799 119.070 0.013 0.000 2.974 47 H HA 0.149 4.705 4.556 -0.000 0.000 0.366 47 H C -1.513 173.772 175.328 -0.072 0.000 1.155 47 H CA -0.947 55.103 56.048 0.003 0.000 1.186 47 H CB 2.058 31.811 29.762 -0.015 0.000 1.799 47 H HN 0.357 nan 8.280 nan 0.000 0.541 48 D N 3.703 124.122 120.400 0.032 0.000 2.359 48 D HA 0.146 4.786 4.640 -0.000 0.000 0.230 48 D C -1.795 174.452 176.300 -0.088 0.000 1.118 48 D CA -2.559 51.420 54.000 -0.034 0.000 0.844 48 D CB 1.563 42.360 40.800 -0.005 0.000 1.059 48 D HN 0.165 nan 8.370 nan 0.000 0.493 49 P HA -0.252 nan 4.420 nan 0.000 0.219 49 P C 1.680 179.093 177.300 0.188 0.000 1.158 49 P CA 1.544 64.490 63.100 -0.256 0.000 0.895 49 P CB 0.058 31.330 31.700 -0.715 0.000 0.792 50 M N -1.037 118.672 119.600 0.182 0.000 2.086 50 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 50 M C 2.157 178.585 176.300 0.214 0.000 1.067 50 M CA 1.673 57.153 55.300 0.299 0.000 1.116 50 M CB -1.773 30.945 32.600 0.197 0.000 1.348 50 M HN 0.094 nan 8.290 nan 0.000 0.407 51 E N 0.533 120.775 120.200 0.070 0.000 2.058 51 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 51 E C 2.031 178.578 176.600 -0.089 0.000 0.997 51 E CA 1.209 57.607 56.400 -0.004 0.000 0.801 51 E CB 0.003 29.694 29.700 -0.015 0.000 0.746 51 E HN 0.418 nan 8.360 nan 0.000 0.450 52 I N 0.660 121.111 120.570 -0.198 0.000 2.044 52 I HA -0.356 3.814 4.170 -0.000 0.000 0.234 52 I C 2.523 178.635 176.117 -0.009 0.000 1.031 52 I CA 1.693 62.826 61.300 -0.279 0.000 1.305 52 I CB -1.380 36.489 38.000 -0.219 0.000 1.026 52 I HN 0.513 nan 8.210 nan 0.000 0.392 53 W N 2.281 123.611 121.300 0.051 0.000 2.280 53 W HA -0.403 4.257 4.660 -0.000 0.000 0.332 53 W C 2.664 179.164 176.519 -0.031 0.000 1.300 53 W CA 2.665 60.021 57.345 0.017 0.000 1.274 53 W CB -0.276 29.218 29.460 0.055 0.000 1.141 53 W HN 0.288 nan 8.180 nan 0.000 0.474 54 A N 0.903 123.585 122.820 -0.230 0.000 1.851 54 A HA -0.311 4.009 4.320 -0.000 0.000 0.216 54 A C 2.005 179.410 177.584 -0.298 0.000 1.195 54 A CA 3.741 55.580 52.037 -0.331 0.000 0.622 54 A CB -1.733 17.216 19.000 -0.084 0.000 0.831 54 A HN 0.536 nan 8.150 nan 0.000 0.444 55 T N -2.632 111.829 114.554 -0.156 0.000 2.737 55 T HA -0.262 4.087 4.350 -0.000 0.000 0.269 55 T C 1.913 176.522 174.700 -0.152 0.000 1.040 55 T CA 1.922 63.965 62.100 -0.095 0.000 1.142 55 T CB -0.326 68.567 68.868 0.041 0.000 0.861 55 T HN 0.423 nan 8.240 nan 0.000 0.456 56 Q N 0.961 120.626 119.800 -0.225 0.000 2.096 56 Q HA 0.090 4.430 4.340 -0.000 0.000 0.197 56 Q C 2.593 178.377 176.000 -0.361 0.000 0.964 56 Q CA 1.634 57.303 55.803 -0.223 0.000 0.838 56 Q CB -0.789 27.861 28.738 -0.146 0.000 0.906 56 Q HN 0.560 nan 8.270 nan 0.000 0.444 57 S N -0.506 114.785 115.700 -0.682 0.000 2.351 57 S HA -0.197 4.273 4.470 -0.000 0.000 0.220 57 S C 1.964 176.347 174.600 -0.362 0.000 1.035 57 S CA 1.926 59.714 58.200 -0.687 0.000 1.031 57 S CB -0.654 61.862 63.200 -1.140 0.000 0.928 57 S HN 0.684 nan 8.310 nan 0.000 0.433 58 S N 1.236 116.744 115.700 -0.319 0.000 2.372 58 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 58 S C 2.144 176.661 174.600 -0.137 0.000 1.044 58 S CA 2.137 60.224 58.200 -0.189 0.000 1.050 58 S CB -1.948 61.162 63.200 -0.151 0.000 0.901 58 S HN 0.848 nan 8.310 nan 0.000 0.447 59 T N 1.898 116.374 114.554 -0.131 0.000 2.737 59 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 59 T C 1.808 176.455 174.700 -0.088 0.000 1.038 59 T CA 1.124 63.172 62.100 -0.088 0.000 1.144 59 T CB -0.992 67.837 68.868 -0.065 0.000 0.866 59 T HN 0.350 nan 8.240 nan 0.000 0.434 60 L N 1.984 123.140 121.223 -0.111 0.000 2.034 60 L HA -0.138 4.202 4.340 -0.000 0.000 0.217 60 L C 2.434 179.252 176.870 -0.087 0.000 1.077 60 L CA 1.767 56.549 54.840 -0.096 0.000 0.769 60 L CB -1.180 40.811 42.059 -0.114 0.000 0.890 60 L HN 0.213 nan 8.230 nan 0.000 0.435 61 V N -0.150 119.705 119.914 -0.098 0.000 2.237 61 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 61 V C 2.600 178.653 176.094 -0.069 0.000 1.046 61 V CA 2.080 64.333 62.300 -0.079 0.000 1.007 61 V CB -0.914 30.861 31.823 -0.080 0.000 0.638 61 V HN 0.626 nan 8.190 nan 0.000 0.445 62 E N 0.295 120.454 120.200 -0.069 0.000 2.068 62 E HA -0.283 4.067 4.350 -0.000 0.000 0.207 62 E C 2.151 178.716 176.600 -0.059 0.000 1.032 62 E CA 2.763 59.128 56.400 -0.058 0.000 0.839 62 E CB -0.207 29.461 29.700 -0.053 0.000 0.758 62 E HN 0.526 nan 8.360 nan 0.000 0.457 63 V N 0.726 120.603 119.914 -0.062 0.000 2.250 63 V HA -0.344 3.776 4.120 -0.000 0.000 0.253 63 V C 2.527 178.570 176.094 -0.086 0.000 1.065 63 V CA 2.159 64.418 62.300 -0.068 0.000 1.039 63 V CB -1.171 30.611 31.823 -0.068 0.000 0.647 63 V HN 0.284 nan 8.190 nan 0.000 0.446 64 L N 0.527 121.697 121.223 -0.089 0.000 1.989 64 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 64 L C 3.061 179.883 176.870 -0.081 0.000 1.071 64 L CA 1.853 56.633 54.840 -0.101 0.000 0.749 64 L CB -1.306 40.704 42.059 -0.081 0.000 0.890 64 L HN 0.426 nan 8.230 nan 0.000 0.431 65 A N 1.794 124.577 122.820 -0.063 0.000 1.873 65 A HA -0.342 3.977 4.320 -0.000 0.000 0.219 65 A C 2.295 179.851 177.584 -0.047 0.000 1.269 65 A CA 3.073 55.081 52.037 -0.049 0.000 0.671 65 A CB -0.920 18.053 19.000 -0.045 0.000 0.842 65 A HN 0.602 nan 8.150 nan 0.000 0.460 66 K N -0.696 119.675 120.400 -0.049 0.000 2.160 66 K HA 0.001 4.321 4.320 -0.000 0.000 0.206 66 K C 1.409 177.982 176.600 -0.045 0.000 1.047 66 K CA 1.623 57.885 56.287 -0.042 0.000 0.930 66 K CB -0.409 32.067 32.500 -0.040 0.000 0.720 66 K HN 0.442 nan 8.250 nan 0.000 0.450 67 A N 1.469 124.250 122.820 -0.066 0.000 2.507 67 A HA 0.090 4.410 4.320 -0.000 0.000 0.270 67 A C -0.025 177.519 177.584 -0.067 0.000 1.318 67 A CA 0.084 52.076 52.037 -0.074 0.000 0.924 67 A CB -0.111 18.815 19.000 -0.123 0.000 1.061 67 A HN 0.419 nan 8.150 nan 0.000 0.516 68 D N -0.856 119.517 120.400 -0.046 0.000 3.018 68 D HA -0.173 4.467 4.640 -0.000 0.000 0.224 68 D C -0.113 176.168 176.300 -0.031 0.000 1.185 68 D CA 1.006 54.989 54.000 -0.027 0.000 0.858 68 D CB -1.097 39.699 40.800 -0.007 0.000 1.112 68 D HN 0.582 nan 8.370 nan 0.000 0.415 69 I N 0.591 121.116 120.570 -0.075 0.000 2.472 69 I HA 0.112 4.282 4.170 -0.000 0.000 0.290 69 I C 0.782 176.876 176.117 -0.039 0.000 1.016 69 I CA -0.268 60.985 61.300 -0.077 0.000 1.348 69 I CB 1.517 39.376 38.000 -0.235 0.000 1.417 69 I HN -0.188 nan 8.210 nan 0.000 0.521 70 S N 3.019 118.723 115.700 0.007 0.000 2.525 70 S HA 0.174 4.644 4.470 -0.000 0.000 0.290 70 S C 1.100 175.715 174.600 0.025 0.000 1.152 70 S CA -0.755 57.453 58.200 0.014 0.000 1.072 70 S CB 1.783 64.998 63.200 0.026 0.000 1.027 70 S HN 0.811 nan 8.310 nan 0.000 0.500 71 S N 2.467 118.173 115.700 0.010 0.000 2.407 71 S HA -0.291 4.179 4.470 -0.000 0.000 0.244 71 S C 1.283 175.902 174.600 0.031 0.000 1.077 71 S CA 1.991 60.199 58.200 0.013 0.000 1.159 71 S CB -0.952 62.251 63.200 0.005 0.000 1.045 71 S HN 0.928 nan 8.310 nan 0.000 0.438 72 D N 1.542 121.961 120.400 0.032 0.000 2.389 72 D HA -0.138 4.502 4.640 -0.000 0.000 0.250 72 D C 0.990 177.327 176.300 0.061 0.000 1.136 72 D CA 0.545 54.567 54.000 0.037 0.000 0.945 72 D CB -0.431 40.385 40.800 0.028 0.000 0.890 72 D HN 0.710 nan 8.370 nan 0.000 0.525 73 Q N -0.356 119.505 119.800 0.102 0.000 2.189 73 Q HA 0.172 4.512 4.340 -0.000 0.000 0.223 73 Q C -0.131 175.986 176.000 0.194 0.000 0.828 73 Q CA -0.481 55.422 55.803 0.165 0.000 0.967 73 Q CB 0.980 29.898 28.738 0.299 0.000 1.139 73 Q HN 0.120 nan 8.270 nan 0.000 0.497 74 I N 1.892 122.533 120.570 0.119 0.000 2.278 74 I HA 0.118 4.288 4.170 -0.000 0.000 0.296 74 I C 1.263 177.392 176.117 0.020 0.000 1.121 74 I CA -0.546 60.798 61.300 0.074 0.000 1.267 74 I CB -0.117 37.904 38.000 0.035 0.000 1.447 74 I HN 0.113 nan 8.210 nan 0.000 0.509 75 A N 5.189 127.994 122.820 -0.024 0.000 1.903 75 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 75 A C 1.155 178.712 177.584 -0.045 0.000 1.191 75 A CA 1.987 53.992 52.037 -0.053 0.000 0.638 75 A CB -0.117 18.764 19.000 -0.199 0.000 0.823 75 A HN 0.887 nan 8.150 nan 0.000 0.451 76 A N -3.007 119.772 122.820 -0.069 0.000 2.456 76 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 76 A C -1.432 176.150 177.584 -0.003 0.000 1.057 76 A CA -0.439 51.588 52.037 -0.016 0.000 0.623 76 A CB 0.080 19.086 19.000 0.010 0.000 1.338 76 A HN 0.417 nan 8.150 nan 0.000 0.464 77 I N 0.675 121.268 120.570 0.038 0.000 2.466 77 I HA 0.578 4.747 4.170 -0.000 0.000 0.289 77 I C 0.624 176.790 176.117 0.082 0.000 1.026 77 I CA -0.485 60.844 61.300 0.049 0.000 1.078 77 I CB 2.252 40.277 38.000 0.041 0.000 1.249 77 I HN 0.865 nan 8.210 nan 0.000 0.429 78 G N 6.656 115.501 108.800 0.076 0.000 2.389 78 G HA2 0.786 4.746 3.960 -0.000 0.000 0.328 78 G HA3 0.786 4.746 3.960 -0.000 0.000 0.328 78 G C -0.794 174.134 174.900 0.046 0.000 1.133 78 G CA -0.439 44.713 45.100 0.086 0.000 0.891 78 G HN 0.466 nan 8.290 nan 0.000 0.485 79 I N 0.881 121.465 120.570 0.023 0.000 2.478 79 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 79 I C -0.346 175.764 176.117 -0.013 0.000 1.042 79 I CA -0.505 60.794 61.300 -0.002 0.000 1.067 79 I CB 2.515 40.495 38.000 -0.032 0.000 1.233 79 I HN 0.459 nan 8.210 nan 0.000 0.431 80 T N 5.593 120.148 114.554 0.003 0.000 2.900 80 T HA 0.614 4.964 4.350 -0.000 0.000 0.295 80 T C -1.045 173.666 174.700 0.019 0.000 1.044 80 T CA -0.604 61.496 62.100 -0.000 0.000 0.995 80 T CB 1.708 70.579 68.868 0.005 0.000 1.072 80 T HN 0.904 nan 8.240 nan 0.000 0.473 81 N N 1.595 120.302 118.700 0.011 0.000 2.853 81 N HA 0.502 5.241 4.740 -0.000 0.000 0.258 81 N C -1.371 174.162 175.510 0.039 0.000 1.444 81 N CA -1.253 51.822 53.050 0.043 0.000 0.837 81 N CB 1.134 39.648 38.487 0.045 0.000 1.489 81 N HN 0.596 nan 8.380 nan 0.000 0.529 82 Q N -0.058 119.807 119.800 0.108 0.000 2.332 82 Q HA 0.296 4.636 4.340 -0.000 0.000 0.263 82 Q C 0.322 176.354 176.000 0.053 0.000 0.979 82 Q CA -0.539 55.346 55.803 0.136 0.000 0.885 82 Q CB 1.474 30.431 28.738 0.364 0.000 1.218 82 Q HN 0.455 nan 8.270 nan 0.000 0.405 83 R N 1.709 122.145 120.500 -0.106 0.000 2.193 83 R HA -0.062 4.278 4.340 -0.000 0.000 0.213 83 R C 0.310 176.571 176.300 -0.066 0.000 1.055 83 R CA 0.990 57.004 56.100 -0.144 0.000 0.995 83 R CB 0.318 30.438 30.300 -0.299 0.000 0.893 83 R HN 0.740 nan 8.270 nan 0.000 0.459 84 E N -0.883 119.341 120.200 0.039 0.000 2.536 84 E HA -0.005 4.345 4.350 -0.000 0.000 0.220 84 E C 0.022 176.712 176.600 0.151 0.000 0.876 84 E CA 0.065 56.513 56.400 0.080 0.000 1.190 84 E CB 0.799 30.506 29.700 0.013 0.000 1.191 84 E HN 0.123 nan 8.360 nan 0.000 0.557 85 T N 0.207 114.887 114.554 0.211 0.000 2.933 85 T HA 0.050 4.400 4.350 -0.000 0.000 0.306 85 T C 0.361 175.100 174.700 0.064 0.000 1.045 85 T CA 0.120 62.303 62.100 0.138 0.000 1.143 85 T CB 0.575 69.551 68.868 0.181 0.000 1.003 85 T HN -0.131 nan 8.240 nan 0.000 0.540 86 T N 5.263 119.840 114.554 0.037 0.000 2.902 86 T HA 0.660 5.010 4.350 -0.000 0.000 0.283 86 T C -0.103 174.577 174.700 -0.034 0.000 1.009 86 T CA -0.711 61.419 62.100 0.049 0.000 1.051 86 T CB 0.645 69.625 68.868 0.185 0.000 0.999 86 T HN 0.658 nan 8.240 nan 0.000 0.474 87 I N 1.755 122.274 120.570 -0.085 0.000 2.686 87 I HA 0.568 4.738 4.170 -0.000 0.000 0.295 87 I C -1.132 175.090 176.117 0.175 0.000 1.114 87 I CA -1.144 60.124 61.300 -0.053 0.000 1.038 87 I CB 2.398 40.231 38.000 -0.278 0.000 1.238 87 I HN 0.266 nan 8.210 nan 0.000 0.420 88 V N 4.919 124.973 119.914 0.233 0.000 2.569 88 V HA 0.499 4.619 4.120 -0.000 0.000 0.301 88 V C -1.413 174.853 176.094 0.287 0.000 1.044 88 V CA -0.373 62.053 62.300 0.211 0.000 0.874 88 V CB 1.807 33.707 31.823 0.128 0.000 1.002 88 V HN 0.888 nan 8.190 nan 0.000 0.424 89 W N 2.222 123.439 121.300 -0.138 0.000 3.118 89 W HA 0.731 5.391 4.660 -0.000 0.000 0.328 89 W C -0.618 175.830 176.519 -0.119 0.000 1.239 89 W CA -0.967 56.307 57.345 -0.118 0.000 1.176 89 W CB 0.881 30.273 29.460 -0.113 0.000 1.433 89 W HN 0.445 nan 8.180 nan 0.000 0.562 90 E N 2.932 123.186 120.200 0.089 0.000 2.493 90 E HA -0.109 4.241 4.350 -0.000 0.000 0.255 90 E C 1.278 177.885 176.600 0.013 0.000 0.999 90 E CA 0.146 56.556 56.400 0.017 0.000 0.934 90 E CB 1.202 30.966 29.700 0.107 0.000 0.940 90 E HN 0.502 nan 8.360 nan 0.000 0.473 91 K N 4.031 124.362 120.400 -0.115 0.000 2.009 91 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 91 K C 1.249 177.982 176.600 0.223 0.000 1.049 91 K CA 1.426 57.695 56.287 -0.029 0.000 0.929 91 K CB 0.186 32.639 32.500 -0.078 0.000 0.714 91 K HN 0.441 nan 8.250 nan 0.000 0.440 92 E N 0.128 120.413 120.200 0.142 0.000 2.023 92 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 92 E C 2.162 178.894 176.600 0.220 0.000 1.003 92 E CA 2.159 58.652 56.400 0.155 0.000 0.809 92 E CB -0.949 28.804 29.700 0.089 0.000 0.755 92 E HN 0.606 nan 8.360 nan 0.000 0.449 93 T N -2.313 112.375 114.554 0.223 0.000 2.896 93 T HA 0.141 4.491 4.350 -0.000 0.000 0.263 93 T C 1.638 176.570 174.700 0.388 0.000 1.050 93 T CA 1.529 63.774 62.100 0.241 0.000 1.140 93 T CB -0.183 68.794 68.868 0.182 0.000 0.877 93 T HN 0.391 nan 8.240 nan 0.000 0.457 94 G N 1.892 111.032 108.800 0.566 0.000 2.143 94 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 94 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 94 G C -0.077 175.146 174.900 0.537 0.000 0.991 94 G CA 0.461 46.028 45.100 0.778 0.000 0.689 94 G HN 1.014 nan 8.290 nan 0.000 0.522 95 K N 0.692 121.334 120.400 0.405 0.000 2.234 95 K HA 0.602 4.922 4.320 -0.000 0.000 0.277 95 K C -2.555 174.212 176.600 0.278 0.000 1.038 95 K CA -2.219 54.239 56.287 0.286 0.000 0.888 95 K CB 1.674 34.293 32.500 0.198 0.000 1.091 95 K HN -0.019 nan 8.250 nan 0.000 0.467 96 P HA -0.044 nan 4.420 nan 0.000 0.265 96 P C 0.397 177.791 177.300 0.156 0.000 1.193 96 P CA -0.041 63.146 63.100 0.146 0.000 0.765 96 P CB 0.333 31.990 31.700 -0.071 0.000 0.823 97 I N 0.080 120.762 120.570 0.185 0.000 3.291 97 I HA 0.203 4.373 4.170 -0.000 0.000 0.279 97 I C 0.002 176.297 176.117 0.296 0.000 1.294 97 I CA 0.725 62.139 61.300 0.189 0.000 1.428 97 I CB -0.396 37.697 38.000 0.154 0.000 1.070 97 I HN 0.148 nan 8.210 nan 0.000 0.478 98 Y N 0.563 120.919 120.300 0.092 0.000 2.554 98 Y HA 0.280 4.830 4.550 -0.000 0.000 0.338 98 Y C -0.480 175.425 175.900 0.010 0.000 1.247 98 Y CA -1.628 56.533 58.100 0.101 0.000 1.255 98 Y CB 0.259 38.846 38.460 0.212 0.000 1.346 98 Y HN 0.020 nan 8.280 nan 0.000 0.481 99 N N 2.166 120.824 118.700 -0.071 0.000 2.104 99 N HA 0.140 4.880 4.740 -0.000 0.000 0.252 99 N C -0.468 175.132 175.510 0.151 0.000 1.224 99 N CA 1.438 54.468 53.050 -0.033 0.000 0.844 99 N CB 0.473 38.806 38.487 -0.255 0.000 1.074 99 N HN 0.817 nan 8.380 nan 0.000 0.464 100 A N 2.684 125.502 122.820 -0.003 0.000 2.409 100 A HA 0.326 4.646 4.320 -0.000 0.000 0.262 100 A C 0.382 177.945 177.584 -0.035 0.000 1.113 100 A CA -0.347 51.671 52.037 -0.032 0.000 0.790 100 A CB -0.019 18.941 19.000 -0.068 0.000 1.046 100 A HN 0.620 nan 8.150 nan 0.000 0.496 101 I N 4.931 125.443 120.570 -0.097 0.000 2.269 101 I HA 0.107 4.277 4.170 -0.000 0.000 0.293 101 I C 0.681 176.683 176.117 -0.191 0.000 1.106 101 I CA -0.195 60.967 61.300 -0.231 0.000 1.248 101 I CB 0.436 38.196 38.000 -0.400 0.000 1.444 101 I HN 0.602 nan 8.210 nan 0.000 0.497 102 V N 7.462 127.227 119.914 -0.247 0.000 3.376 102 V HA 0.101 4.221 4.120 -0.000 0.000 0.303 102 V C 1.373 177.384 176.094 -0.137 0.000 1.100 102 V CA -0.058 62.116 62.300 -0.211 0.000 1.126 102 V CB 0.871 32.401 31.823 -0.489 0.000 1.085 102 V HN 0.898 nan 8.190 nan 0.000 0.480 103 W N 1.605 122.877 121.300 -0.045 0.000 2.317 103 W HA -0.253 4.407 4.660 0.000 0.000 0.318 103 W C 1.775 178.236 176.519 -0.097 0.000 1.227 103 W CA 1.736 59.089 57.345 0.013 0.000 1.269 103 W CB -1.501 28.081 29.460 0.204 0.000 1.155 103 W HN 0.782 nan 8.180 nan 0.000 0.484 104 Q N 0.882 120.322 119.800 -0.600 0.000 2.291 104 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 104 Q C 1.571 177.304 176.000 -0.445 0.000 0.976 104 Q CA 1.024 56.411 55.803 -0.693 0.000 0.875 104 Q CB -0.780 27.390 28.738 -0.946 0.000 0.927 104 Q HN 0.173 nan 8.270 nan 0.000 0.450 105 C N 2.901 121.973 119.300 -0.380 0.000 2.517 105 C HA -0.011 4.449 4.460 -0.000 0.000 0.403 105 C C 1.277 176.069 174.990 -0.330 0.000 1.467 105 C CA -0.312 58.495 59.018 -0.350 0.000 1.542 105 C CB -0.256 27.210 27.740 -0.456 0.000 2.482 105 C HN 0.357 nan 8.230 nan 0.000 0.610 106 R N 5.123 125.481 120.500 -0.236 0.000 2.391 106 R HA 0.017 4.357 4.340 -0.000 0.000 0.249 106 R C 2.116 178.323 176.300 -0.156 0.000 0.957 106 R CA 0.008 56.011 56.100 -0.160 0.000 1.093 106 R CB -0.531 29.735 30.300 -0.057 0.000 1.156 106 R HN 0.842 nan 8.270 nan 0.000 0.526 107 R N 0.706 120.952 120.500 -0.423 0.000 2.075 107 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 107 R C 1.424 177.641 176.300 -0.138 0.000 1.126 107 R CA 1.938 57.827 56.100 -0.351 0.000 0.963 107 R CB -1.000 28.522 30.300 -1.296 0.000 0.858 107 R HN 0.087 nan 8.270 nan 0.000 0.435 108 T N -0.298 114.133 114.554 -0.206 0.000 2.570 108 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 108 T C 2.015 176.696 174.700 -0.033 0.000 1.071 108 T CA 2.221 64.280 62.100 -0.068 0.000 1.172 108 T CB -0.819 68.000 68.868 -0.081 0.000 0.864 108 T HN 0.577 nan 8.240 nan 0.000 0.421 109 A N 1.985 124.766 122.820 -0.066 0.000 2.640 109 A HA -0.498 3.822 4.320 -0.000 0.000 0.338 109 A C 1.778 179.348 177.584 -0.023 0.000 4.514 109 A CA 3.624 55.612 52.037 -0.081 0.000 0.984 109 A CB -2.130 16.801 19.000 -0.115 0.000 0.893 109 A HN 0.810 nan 8.150 nan 0.000 0.482 110 E N -0.059 120.139 120.200 -0.003 0.000 2.103 110 E HA -0.248 4.102 4.350 -0.000 0.000 0.229 110 E C 1.720 178.185 176.600 -0.226 0.000 1.061 110 E CA 2.464 58.834 56.400 -0.049 0.000 0.916 110 E CB -0.598 29.067 29.700 -0.058 0.000 0.806 110 E HN 0.757 nan 8.360 nan 0.000 0.489 111 I N 0.107 120.492 120.570 -0.308 0.000 2.132 111 I HA -0.516 3.654 4.170 -0.000 0.000 0.238 111 I C 2.606 178.678 176.117 -0.075 0.000 1.012 111 I CA 1.887 63.007 61.300 -0.299 0.000 1.288 111 I CB -1.114 36.820 38.000 -0.110 0.000 0.997 111 I HN 0.330 nan 8.210 nan 0.000 0.402 112 C N 0.672 119.970 119.300 -0.003 0.000 2.382 112 C HA -0.199 4.261 4.460 -0.000 0.000 0.274 112 C C 2.726 177.791 174.990 0.126 0.000 1.180 112 C CA 1.010 60.068 59.018 0.067 0.000 1.799 112 C CB -1.305 26.472 27.740 0.061 0.000 2.094 112 C HN 0.545 nan 8.230 nan 0.000 0.468 113 E N 0.355 120.648 120.200 0.155 0.000 2.051 113 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 113 E C 1.780 178.601 176.600 0.367 0.000 0.991 113 E CA 1.491 58.052 56.400 0.269 0.000 0.799 113 E CB -0.707 29.187 29.700 0.322 0.000 0.748 113 E HN 0.718 nan 8.360 nan 0.000 0.449 114 H N 1.153 120.274 119.070 0.085 0.000 2.251 114 H HA -0.144 4.412 4.556 -0.000 0.000 0.294 114 H C 2.192 177.559 175.328 0.065 0.000 1.078 114 H CA 1.082 57.171 56.048 0.068 0.000 1.246 114 H CB -0.837 28.960 29.762 0.058 0.000 1.358 114 H HN 0.046 nan 8.280 nan 0.000 0.488 115 L N 0.844 122.196 121.223 0.215 0.000 1.976 115 L HA -0.260 4.080 4.340 -0.000 0.000 0.223 115 L C 2.348 179.295 176.870 0.128 0.000 1.081 115 L CA 1.758 56.684 54.840 0.143 0.000 0.784 115 L CB -1.659 40.474 42.059 0.122 0.000 0.896 115 L HN 0.201 nan 8.230 nan 0.000 0.438 116 K N -0.262 120.221 120.400 0.139 0.000 2.007 116 K HA -0.289 4.031 4.320 -0.000 0.000 0.231 116 K C 2.321 178.982 176.600 0.101 0.000 1.044 116 K CA 2.440 58.802 56.287 0.125 0.000 0.996 116 K CB -0.457 32.132 32.500 0.149 0.000 0.738 116 K HN 0.163 nan 8.250 nan 0.000 0.447 117 R N 0.621 121.183 120.500 0.103 0.000 2.113 117 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 117 R C 0.987 177.312 176.300 0.042 0.000 1.142 117 R CA 2.400 58.536 56.100 0.061 0.000 0.953 117 R CB -0.648 29.671 30.300 0.031 0.000 0.860 117 R HN 0.356 nan 8.270 nan 0.000 0.438 118 D N -0.799 119.631 120.400 0.049 0.000 2.378 118 D HA 0.026 4.666 4.640 -0.000 0.000 0.227 118 D C 0.974 177.296 176.300 0.036 0.000 1.012 118 D CA 1.189 55.209 54.000 0.034 0.000 0.905 118 D CB -0.107 40.715 40.800 0.037 0.000 0.895 118 D HN 0.596 nan 8.370 nan 0.000 0.532 119 G N 0.828 109.659 108.800 0.051 0.000 2.182 119 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 119 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 119 G C 0.666 175.607 174.900 0.068 0.000 1.042 119 G CA 0.149 45.281 45.100 0.053 0.000 0.775 119 G HN 0.328 nan 8.290 nan 0.000 0.501 120 L N 0.200 121.474 121.223 0.085 0.000 2.591 120 L HA 0.300 4.640 4.340 -0.000 0.000 0.228 120 L C 2.158 179.100 176.870 0.119 0.000 1.133 120 L CA 0.832 55.744 54.840 0.121 0.000 0.880 120 L CB -0.161 41.986 42.059 0.146 0.000 1.033 120 L HN 0.357 nan 8.230 nan 0.000 0.450 121 E N 1.314 121.569 120.200 0.090 0.000 2.241 121 E HA -0.376 3.974 4.350 -0.000 0.000 0.244 121 E C 1.280 177.920 176.600 0.065 0.000 1.070 121 E CA 2.850 59.293 56.400 0.072 0.000 0.998 121 E CB -0.108 29.630 29.700 0.063 0.000 0.879 121 E HN 0.666 nan 8.360 nan 0.000 0.501 122 D N -0.735 119.707 120.400 0.071 0.000 2.106 122 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 122 D C 1.790 178.138 176.300 0.080 0.000 0.988 122 D CA 1.675 55.712 54.000 0.062 0.000 0.845 122 D CB -0.839 39.999 40.800 0.064 0.000 0.990 122 D HN 0.273 nan 8.370 nan 0.000 0.448 123 Y N 1.143 121.448 120.300 0.007 0.000 1.980 123 Y HA -0.402 4.148 4.550 -0.000 0.000 0.249 123 Y C 2.182 178.088 175.900 0.009 0.000 1.215 123 Y CA 1.653 59.757 58.100 0.007 0.000 1.075 123 Y CB -0.921 37.545 38.460 0.010 0.000 0.894 123 Y HN 0.004 nan 8.280 nan 0.000 0.503 124 I N 0.098 120.692 120.570 0.041 0.000 2.103 124 I HA -0.462 3.708 4.170 -0.000 0.000 0.241 124 I C 2.778 178.821 176.117 -0.124 0.000 1.036 124 I CA 2.526 63.792 61.300 -0.056 0.000 1.300 124 I CB -0.632 37.388 38.000 0.034 0.000 1.010 124 I HN 0.292 nan 8.210 nan 0.000 0.406 125 R N 0.585 121.045 120.500 -0.067 0.000 2.091 125 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 125 R C 2.067 178.321 176.300 -0.078 0.000 1.136 125 R CA 2.120 58.178 56.100 -0.070 0.000 0.959 125 R CB -0.266 30.014 30.300 -0.033 0.000 0.856 125 R HN 0.313 nan 8.270 nan 0.000 0.437 126 S N -0.042 115.603 115.700 -0.092 0.000 2.527 126 S HA 0.054 4.524 4.470 -0.000 0.000 0.222 126 S C 0.711 175.264 174.600 -0.079 0.000 0.985 126 S CA 0.963 59.116 58.200 -0.079 0.000 0.921 126 S CB 0.068 63.220 63.200 -0.080 0.000 0.772 126 S HN 0.534 nan 8.310 nan 0.000 0.529 127 N N 0.319 118.887 118.700 -0.221 0.000 2.332 127 N HA 0.030 4.770 4.740 -0.000 0.000 0.190 127 N C 1.609 177.015 175.510 -0.174 0.000 1.117 127 N CA 0.922 53.855 53.050 -0.194 0.000 0.883 127 N CB 0.262 38.422 38.487 -0.544 0.000 1.089 127 N HN 0.451 nan 8.380 nan 0.000 0.480 128 T N -4.128 110.314 114.554 -0.188 0.000 3.000 128 T HA 0.357 4.707 4.350 -0.000 0.000 0.248 128 T C 1.628 176.225 174.700 -0.172 0.000 1.034 128 T CA 0.616 62.617 62.100 -0.166 0.000 1.060 128 T CB 0.431 69.201 68.868 -0.163 0.000 0.983 128 T HN 0.183 nan 8.240 nan 0.000 0.482 129 G N 1.465 110.178 108.800 -0.145 0.000 2.199 129 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.254 129 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.254 129 G C -0.021 174.801 174.900 -0.130 0.000 0.982 129 G CA 0.194 45.225 45.100 -0.115 0.000 0.632 129 G HN 0.623 nan 8.290 nan 0.000 0.529 130 L N 0.485 121.584 121.223 -0.207 0.000 2.421 130 L HA 0.658 4.998 4.340 -0.000 0.000 0.263 130 L C 1.017 177.800 176.870 -0.146 0.000 1.122 130 L CA -0.868 53.801 54.840 -0.285 0.000 0.804 130 L CB 1.341 43.052 42.059 -0.581 0.000 1.150 130 L HN -0.030 nan 8.230 nan 0.000 0.457 131 V N 2.151 122.000 119.914 -0.109 0.000 2.973 131 V HA 0.307 4.427 4.120 -0.000 0.000 0.314 131 V C 0.406 176.501 176.094 0.001 0.000 1.066 131 V CA -0.675 61.518 62.300 -0.179 0.000 1.021 131 V CB 2.213 33.660 31.823 -0.626 0.000 1.076 131 V HN 0.425 nan 8.190 nan 0.000 0.462 132 I N 3.903 124.478 120.570 0.008 0.000 2.494 132 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 132 I C -0.125 176.060 176.117 0.115 0.000 1.106 132 I CA 0.733 62.093 61.300 0.101 0.000 1.369 132 I CB -0.042 38.017 38.000 0.098 0.000 1.410 132 I HN 0.636 nan 8.210 nan 0.000 0.523 133 D N 8.510 129.011 120.400 0.168 0.000 2.623 133 D HA 0.248 4.888 4.640 -0.000 0.000 0.241 133 D C -2.376 173.949 176.300 0.042 0.000 1.241 133 D CA -1.268 52.789 54.000 0.094 0.000 0.788 133 D CB 3.039 43.887 40.800 0.080 0.000 1.413 133 D HN 0.019 nan 8.370 nan 0.000 0.429 134 P HA -0.075 nan 4.420 nan 0.000 0.230 134 P C 1.265 178.529 177.300 -0.060 0.000 1.158 134 P CA 0.555 63.627 63.100 -0.047 0.000 0.769 134 P CB -0.014 31.629 31.700 -0.095 0.000 0.807 135 Y N 0.563 120.681 120.300 -0.303 0.000 2.207 135 Y HA -0.105 4.444 4.550 -0.000 0.000 0.287 135 Y C 0.562 176.248 175.900 -0.357 0.000 1.156 135 Y CA 0.335 58.159 58.100 -0.460 0.000 1.182 135 Y CB -0.948 37.074 38.460 -0.731 0.000 0.979 135 Y HN -0.226 nan 8.280 nan 0.000 0.521 136 F N -0.616 119.391 119.950 0.095 0.000 2.399 136 F HA 0.305 4.832 4.527 -0.000 0.000 0.334 136 F C 1.741 177.540 175.800 -0.002 0.000 1.097 136 F CA -0.541 57.434 58.000 -0.041 0.000 1.076 136 F CB 0.844 39.814 39.000 -0.050 0.000 1.162 136 F HN -0.333 nan 8.300 nan 0.000 0.495 137 S N 1.962 117.802 115.700 0.234 0.000 2.378 137 S HA -0.262 4.208 4.470 -0.000 0.000 0.229 137 S C 2.349 177.006 174.600 0.095 0.000 1.052 137 S CA 1.832 60.142 58.200 0.183 0.000 1.084 137 S CB -0.904 62.467 63.200 0.285 0.000 0.950 137 S HN 1.023 nan 8.310 nan 0.000 0.440 138 G N 2.006 110.846 108.800 0.067 0.000 2.855 138 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.227 138 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.227 138 G C 1.548 176.450 174.900 0.002 0.000 1.245 138 G CA 2.820 47.918 45.100 -0.003 0.000 0.781 138 G HN 0.601 nan 8.290 nan 0.000 0.666 139 T N 0.689 115.269 114.554 0.043 0.000 2.567 139 T HA -0.315 4.035 4.350 -0.000 0.000 0.261 139 T C 2.041 176.757 174.700 0.027 0.000 1.123 139 T CA 2.033 64.153 62.100 0.033 0.000 1.166 139 T CB -0.618 68.266 68.868 0.028 0.000 0.860 139 T HN 0.518 nan 8.240 nan 0.000 0.436 140 K N 0.883 121.275 120.400 -0.014 0.000 2.013 140 K HA -0.199 4.121 4.320 -0.000 0.000 0.225 140 K C 2.413 179.029 176.600 0.026 0.000 1.056 140 K CA 2.179 58.425 56.287 -0.070 0.000 0.971 140 K CB -1.344 31.116 32.500 -0.067 0.000 0.731 140 K HN 0.328 nan 8.250 nan 0.000 0.450 141 V N 1.458 121.397 119.914 0.041 0.000 2.233 141 V HA -0.419 3.701 4.120 -0.000 0.000 0.256 141 V C 2.369 178.486 176.094 0.039 0.000 1.069 141 V CA 2.596 64.912 62.300 0.027 0.000 1.054 141 V CB -0.950 30.785 31.823 -0.147 0.000 0.664 141 V HN 0.457 nan 8.190 nan 0.000 0.453 142 K N -0.600 119.807 120.400 0.012 0.000 1.980 142 K HA -0.333 3.987 4.320 -0.000 0.000 0.223 142 K C 2.014 178.665 176.600 0.084 0.000 1.052 142 K CA 2.635 58.933 56.287 0.019 0.000 0.974 142 K CB -0.683 31.824 32.500 0.012 0.000 0.734 142 K HN 0.542 nan 8.250 nan 0.000 0.447 143 W N 1.655 122.889 121.300 -0.111 0.000 2.244 143 W HA -0.377 4.283 4.660 -0.000 0.000 0.336 143 W C 1.677 178.119 176.519 -0.127 0.000 1.352 143 W CA 2.560 59.827 57.345 -0.131 0.000 1.343 143 W CB -0.340 28.997 29.460 -0.205 0.000 1.111 143 W HN 0.229 nan 8.180 nan 0.000 0.481 144 I N -0.375 120.489 120.570 0.489 0.000 2.052 144 I HA -0.392 3.778 4.170 -0.000 0.000 0.235 144 I C 2.444 178.587 176.117 0.042 0.000 1.046 144 I CA 1.658 63.154 61.300 0.328 0.000 1.308 144 I CB -1.650 36.462 38.000 0.187 0.000 1.031 144 I HN 0.085 nan 8.210 nan 0.000 0.395 145 L N 1.018 122.256 121.223 0.024 0.000 2.026 145 L HA -0.318 4.022 4.340 -0.000 0.000 0.231 145 L C 2.308 179.123 176.870 -0.092 0.000 1.095 145 L CA 2.291 57.111 54.840 -0.034 0.000 0.810 145 L CB -1.740 40.294 42.059 -0.043 0.000 0.909 145 L HN 0.334 nan 8.230 nan 0.000 0.444 146 D N -1.919 118.407 120.400 -0.124 0.000 2.120 146 D HA -0.241 4.399 4.640 -0.000 0.000 0.191 146 D C 2.150 178.304 176.300 -0.244 0.000 0.994 146 D CA 1.688 55.582 54.000 -0.176 0.000 0.838 146 D CB -0.662 40.021 40.800 -0.196 0.000 0.976 146 D HN 0.501 nan 8.370 nan 0.000 0.447 147 H N 0.799 119.542 119.070 -0.544 0.000 2.267 147 H HA -0.150 4.406 4.556 -0.000 0.000 0.291 147 H C 0.019 175.185 175.328 -0.270 0.000 1.094 147 H CA 1.391 57.071 56.048 -0.614 0.000 1.227 147 H CB -0.256 28.731 29.762 -1.291 0.000 1.351 147 H HN -0.031 nan 8.280 nan 0.000 0.483 148 V N 2.814 122.550 119.914 -0.297 0.000 2.405 148 V HA 0.002 4.122 4.120 -0.000 0.000 0.264 148 V C 1.162 177.164 176.094 -0.154 0.000 1.048 148 V CA 0.017 62.187 62.300 -0.217 0.000 0.966 148 V CB 1.038 32.870 31.823 0.016 0.000 1.015 148 V HN 0.391 nan 8.190 nan 0.000 0.477 149 E N 5.282 125.381 120.200 -0.169 0.000 2.146 149 E HA -0.298 4.052 4.350 -0.000 0.000 0.241 149 E C 2.118 178.672 176.600 -0.076 0.000 0.937 149 E CA 2.611 58.944 56.400 -0.112 0.000 0.916 149 E CB -0.888 28.761 29.700 -0.085 0.000 0.884 149 E HN 0.782 nan 8.360 nan 0.000 0.561 150 G N -0.490 108.278 108.800 -0.054 0.000 2.503 150 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.221 150 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.221 150 G C 1.429 176.303 174.900 -0.044 0.000 1.131 150 G CA 2.837 47.912 45.100 -0.042 0.000 0.756 150 G HN 0.613 nan 8.290 nan 0.000 0.572 151 S N 1.132 116.807 115.700 -0.042 0.000 1.931 151 S HA -0.481 3.989 4.470 -0.000 0.000 0.521 151 S C 2.058 176.627 174.600 -0.053 0.000 0.931 151 S CA 2.134 60.308 58.200 -0.043 0.000 3.252 151 S CB -1.065 62.111 63.200 -0.041 0.000 2.277 151 S HN 0.516 nan 8.310 nan 0.000 0.559 152 R N 1.288 121.754 120.500 -0.057 0.000 2.196 152 R HA -0.270 4.070 4.340 -0.000 0.000 0.244 152 R C 2.509 178.775 176.300 -0.057 0.000 1.121 152 R CA 2.363 58.427 56.100 -0.060 0.000 0.930 152 R CB -1.209 29.057 30.300 -0.056 0.000 0.890 152 R HN 0.769 nan 8.270 nan 0.000 0.435 153 E N 0.802 120.972 120.200 -0.049 0.000 2.049 153 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 153 E C 2.001 178.573 176.600 -0.046 0.000 1.007 153 E CA 1.933 58.307 56.400 -0.044 0.000 0.809 153 E CB -0.194 29.484 29.700 -0.037 0.000 0.749 153 E HN 0.374 nan 8.360 nan 0.000 0.450 154 R N 0.075 120.547 120.500 -0.046 0.000 2.120 154 R HA -0.014 4.326 4.340 -0.000 0.000 0.234 154 R C 2.373 178.632 176.300 -0.068 0.000 1.123 154 R CA 1.149 57.219 56.100 -0.050 0.000 0.975 154 R CB -0.523 29.751 30.300 -0.043 0.000 0.866 154 R HN 0.199 nan 8.270 nan 0.000 0.446 155 A N 1.571 124.345 122.820 -0.076 0.000 2.015 155 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 155 A C 2.118 179.645 177.584 -0.095 0.000 1.163 155 A CA 0.900 52.877 52.037 -0.100 0.000 0.646 155 A CB -0.310 18.630 19.000 -0.100 0.000 0.806 155 A HN 0.203 nan 8.150 nan 0.000 0.448 156 R N -0.335 120.121 120.500 -0.074 0.000 2.115 156 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 156 R C 1.385 177.651 176.300 -0.056 0.000 1.111 156 R CA 1.404 57.467 56.100 -0.062 0.000 0.976 156 R CB -0.130 30.140 30.300 -0.049 0.000 0.870 156 R HN 0.557 nan 8.270 nan 0.000 0.445 157 R N -0.127 120.340 120.500 -0.055 0.000 2.391 157 R HA 0.191 4.531 4.340 -0.000 0.000 0.249 157 R C 0.645 176.907 176.300 -0.064 0.000 0.957 157 R CA 0.412 56.483 56.100 -0.048 0.000 1.093 157 R CB 0.329 30.606 30.300 -0.038 0.000 1.156 157 R HN 0.111 nan 8.270 nan 0.000 0.526 158 G N 2.896 111.644 108.800 -0.087 0.000 2.467 158 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.302 158 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.302 158 G C 0.586 175.410 174.900 -0.127 0.000 0.930 158 G CA 0.982 46.008 45.100 -0.123 0.000 1.008 158 G HN 0.719 nan 8.290 nan 0.000 0.512 159 E N -1.342 118.795 120.200 -0.105 0.000 2.435 159 E HA 0.208 4.558 4.350 -0.000 0.000 0.195 159 E C 0.968 177.485 176.600 -0.140 0.000 1.029 159 E CA 0.060 56.406 56.400 -0.089 0.000 0.865 159 E CB 0.439 30.110 29.700 -0.049 0.000 0.833 159 E HN 0.554 nan 8.360 nan 0.000 0.510 160 L N 1.865 122.975 121.223 -0.189 0.000 2.322 160 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 160 L C -0.532 176.098 176.870 -0.400 0.000 1.014 160 L CA -0.686 53.993 54.840 -0.268 0.000 0.815 160 L CB 1.790 43.747 42.059 -0.171 0.000 1.247 160 L HN 0.043 nan 8.230 nan 0.000 0.421 161 L N 2.628 123.432 121.223 -0.700 0.000 2.330 161 L HA 0.539 4.879 4.340 -0.000 0.000 0.271 161 L C -0.927 175.435 176.870 -0.846 0.000 1.013 161 L CA -0.600 53.662 54.840 -0.963 0.000 0.816 161 L CB 2.342 43.410 42.059 -1.652 0.000 1.287 161 L HN 0.378 nan 8.230 nan 0.000 0.435 162 F N 0.852 120.453 119.950 -0.583 0.000 2.480 162 F HA 0.832 5.359 4.527 -0.000 0.000 0.329 162 F C 0.051 175.881 175.800 0.050 0.000 1.091 162 F CA -0.468 57.390 58.000 -0.237 0.000 0.972 162 F CB 1.931 40.836 39.000 -0.159 0.000 1.150 162 F HN 0.342 nan 8.300 nan 0.000 0.467 163 G N 2.203 110.261 108.800 -1.237 0.000 2.616 163 G HA2 0.469 4.429 3.960 -0.000 0.000 0.294 163 G HA3 0.469 4.429 3.960 -0.000 0.000 0.294 163 G C -1.260 173.186 174.900 -0.758 0.000 1.489 163 G CA -0.319 44.306 45.100 -0.793 0.000 0.836 163 G HN 0.859 nan 8.290 nan 0.000 0.527 164 T N -1.879 112.428 114.554 -0.412 0.000 2.888 164 T HA 0.540 4.890 4.350 -0.000 0.000 0.283 164 T C 1.537 176.209 174.700 -0.047 0.000 1.013 164 T CA 0.144 62.139 62.100 -0.175 0.000 0.938 164 T CB 1.066 69.898 68.868 -0.059 0.000 1.298 164 T HN 0.556 nan 8.240 nan 0.000 0.580 165 V N 1.998 121.917 119.914 0.009 0.000 2.307 165 V HA -0.146 3.973 4.120 -0.000 0.000 0.245 165 V C 2.715 178.861 176.094 0.086 0.000 1.045 165 V CA 2.237 64.584 62.300 0.078 0.000 1.024 165 V CB -1.232 30.643 31.823 0.087 0.000 0.651 165 V HN 1.017 nan 8.190 nan 0.000 0.449 166 D N 0.134 120.545 120.400 0.020 0.000 2.116 166 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 166 D C 1.911 178.206 176.300 -0.007 0.000 0.998 166 D CA 2.186 56.175 54.000 -0.017 0.000 0.836 166 D CB -1.211 39.539 40.800 -0.083 0.000 0.951 166 D HN 0.387 nan 8.370 nan 0.000 0.449 167 T N 0.123 114.674 114.554 -0.005 0.000 2.516 167 T HA -0.258 4.092 4.350 -0.000 0.000 0.261 167 T C 1.437 176.227 174.700 0.149 0.000 1.130 167 T CA 1.857 63.979 62.100 0.037 0.000 1.193 167 T CB -0.999 67.873 68.868 0.007 0.000 0.864 167 T HN 0.447 nan 8.240 nan 0.000 0.410 168 W N 1.934 123.186 121.300 -0.081 0.000 2.290 168 W HA -0.247 4.413 4.660 -0.000 0.000 0.323 168 W C 1.928 178.379 176.519 -0.113 0.000 1.260 168 W CA 1.407 58.596 57.345 -0.261 0.000 1.266 168 W CB -0.741 28.466 29.460 -0.422 0.000 1.149 168 W HN 0.284 nan 8.180 nan 0.000 0.482 169 L N 0.299 121.505 121.223 -0.029 0.000 1.963 169 L HA -0.328 4.012 4.340 -0.000 0.000 0.220 169 L C 2.628 179.449 176.870 -0.082 0.000 1.076 169 L CA 2.094 56.920 54.840 -0.023 0.000 0.772 169 L CB -1.319 40.807 42.059 0.113 0.000 0.892 169 L HN -0.032 nan 8.230 nan 0.000 0.435 170 I N -1.183 119.377 120.570 -0.016 0.000 2.087 170 I HA -0.364 3.806 4.170 -0.000 0.000 0.240 170 I C 2.304 178.402 176.117 -0.031 0.000 1.054 170 I CA 2.115 63.409 61.300 -0.011 0.000 1.311 170 I CB -0.487 37.509 38.000 -0.006 0.000 1.024 170 I HN 0.337 nan 8.210 nan 0.000 0.402 171 W N 1.855 123.052 121.300 -0.172 0.000 2.277 171 W HA -0.357 4.303 4.660 -0.000 0.000 0.327 171 W C 2.543 178.842 176.519 -0.367 0.000 1.284 171 W CA 2.199 59.447 57.345 -0.161 0.000 1.277 171 W CB -0.247 29.199 29.460 -0.023 0.000 1.141 171 W HN -0.037 nan 8.180 nan 0.000 0.482 172 K N -0.440 119.631 120.400 -0.548 0.000 2.057 172 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 172 K C 1.938 178.112 176.600 -0.710 0.000 1.049 172 K CA 2.197 57.839 56.287 -1.076 0.000 0.931 172 K CB -1.014 30.130 32.500 -2.261 0.000 0.714 172 K HN 0.391 nan 8.250 nan 0.000 0.440 173 M N 0.694 120.099 119.600 -0.324 0.000 2.358 173 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 173 M C 2.004 178.233 176.300 -0.119 0.000 1.064 173 M CA 1.812 57.091 55.300 -0.034 0.000 1.093 173 M CB -0.649 31.999 32.600 0.079 0.000 1.401 173 M HN 0.165 nan 8.290 nan 0.000 0.440 174 T N -3.553 110.871 114.554 -0.217 0.000 3.069 174 T HA 0.189 4.539 4.350 -0.000 0.000 0.252 174 T C 0.417 174.930 174.700 -0.311 0.000 1.053 174 T CA -0.117 61.865 62.100 -0.197 0.000 0.964 174 T CB 0.165 68.955 68.868 -0.131 0.000 1.005 174 T HN 0.390 nan 8.240 nan 0.000 0.532 175 Q N 0.069 119.577 119.800 -0.487 0.000 2.470 175 Q HA -0.081 4.259 4.340 -0.000 0.000 0.290 175 Q C 1.135 176.709 176.000 -0.709 0.000 1.353 175 Q CA 0.917 56.378 55.803 -0.571 0.000 0.787 175 Q CB -1.974 26.570 28.738 -0.325 0.000 1.158 175 Q HN 1.032 nan 8.270 nan 0.000 0.426 176 G N -1.100 106.976 108.800 -1.207 0.000 2.363 176 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.238 176 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.238 176 G C 0.979 175.637 174.900 -0.403 0.000 1.062 176 G CA 0.513 44.918 45.100 -1.159 0.000 0.629 176 G HN 0.387 nan 8.290 nan 0.000 0.514 177 R N 0.217 120.538 120.500 -0.299 0.000 2.168 177 R HA -0.035 4.305 4.340 -0.000 0.000 0.242 177 R C 1.619 177.922 176.300 0.004 0.000 1.123 177 R CA 2.234 58.269 56.100 -0.107 0.000 0.928 177 R CB -0.736 29.506 30.300 -0.097 0.000 0.873 177 R HN 1.085 nan 8.270 nan 0.000 0.434 178 V N 0.308 120.237 119.914 0.026 0.000 2.555 178 V HA 0.295 4.415 4.120 -0.000 0.000 0.302 178 V C -1.318 174.986 176.094 0.349 0.000 1.038 178 V CA -0.896 61.504 62.300 0.167 0.000 0.887 178 V CB 1.641 33.538 31.823 0.123 0.000 0.991 178 V HN 0.345 nan 8.190 nan 0.000 0.434 179 H N 4.624 123.864 119.070 0.283 0.000 2.725 179 H HA 0.777 5.333 4.556 -0.000 0.000 0.283 179 H C -0.968 174.475 175.328 0.190 0.000 1.110 179 H CA 0.135 56.368 56.048 0.307 0.000 1.289 179 H CB 1.231 31.164 29.762 0.284 0.000 1.400 179 H HN 0.793 nan 8.280 nan 0.000 0.493 180 V N 4.063 123.932 119.914 -0.074 0.000 3.188 180 V HA 0.648 4.768 4.120 -0.000 0.000 0.305 180 V C -1.023 174.971 176.094 -0.166 0.000 1.232 180 V CA -0.247 61.988 62.300 -0.108 0.000 1.043 180 V CB 2.432 34.245 31.823 -0.017 0.000 1.068 180 V HN 0.788 nan 8.190 nan 0.000 0.439 181 T N 1.716 116.172 114.554 -0.164 0.000 2.831 181 T HA 0.538 4.887 4.350 -0.000 0.000 0.287 181 T C -1.761 172.766 174.700 -0.289 0.000 1.070 181 T CA -0.133 61.847 62.100 -0.200 0.000 1.010 181 T CB 1.652 70.444 68.868 -0.125 0.000 1.264 181 T HN 1.072 nan 8.240 nan 0.000 0.532 182 D N -0.247 119.964 120.400 -0.315 0.000 2.414 182 D HA 0.241 4.881 4.640 -0.000 0.000 0.241 182 D C 0.475 176.524 176.300 -0.418 0.000 1.008 182 D CA -0.492 53.288 54.000 -0.367 0.000 1.001 182 D CB 0.715 41.377 40.800 -0.229 0.000 1.277 182 D HN 0.462 nan 8.370 nan 0.000 0.538 183 Y N 0.365 120.525 120.300 -0.233 0.000 2.097 183 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 183 Y C 2.897 178.616 175.900 -0.301 0.000 1.152 183 Y CA 2.368 60.281 58.100 -0.311 0.000 1.136 183 Y CB -1.326 37.036 38.460 -0.164 0.000 0.975 183 Y HN 0.632 nan 8.280 nan 0.000 0.498 184 T N -1.485 113.043 114.554 -0.042 0.000 2.570 184 T HA -0.329 4.021 4.350 -0.000 0.000 0.266 184 T C 1.707 176.331 174.700 -0.126 0.000 1.071 184 T CA 2.033 64.085 62.100 -0.080 0.000 1.172 184 T CB -1.182 67.639 68.868 -0.078 0.000 0.864 184 T HN 0.410 nan 8.240 nan 0.000 0.421 185 N N 2.084 120.697 118.700 -0.144 0.000 2.000 185 N HA -0.063 4.677 4.740 -0.000 0.000 0.198 185 N C 2.418 177.829 175.510 -0.165 0.000 1.057 185 N CA 1.619 54.590 53.050 -0.132 0.000 0.858 185 N CB -0.692 37.723 38.487 -0.121 0.000 1.057 185 N HN 0.569 nan 8.380 nan 0.000 0.423 186 A N 0.644 123.279 122.820 -0.309 0.000 1.985 186 A HA -0.303 4.017 4.320 -0.000 0.000 0.223 186 A C 2.175 179.498 177.584 -0.435 0.000 1.189 186 A CA 2.479 54.195 52.037 -0.534 0.000 0.658 186 A CB -1.350 16.790 19.000 -1.433 0.000 0.820 186 A HN 0.522 nan 8.150 nan 0.000 0.464 187 S N -0.385 115.125 115.700 -0.317 0.000 2.462 187 S HA -0.182 4.288 4.470 -0.000 0.000 0.243 187 S C 1.615 176.162 174.600 -0.088 0.000 1.003 187 S CA 1.349 59.519 58.200 -0.051 0.000 0.970 187 S CB -0.421 62.768 63.200 -0.018 0.000 0.762 187 S HN 0.692 nan 8.310 nan 0.000 0.510 188 R N 0.623 121.054 120.500 -0.116 0.000 2.362 188 R HA 0.128 4.468 4.340 -0.000 0.000 0.227 188 R C 2.248 178.504 176.300 -0.073 0.000 0.905 188 R CA 0.865 56.858 56.100 -0.178 0.000 1.067 188 R CB -0.508 29.724 30.300 -0.113 0.000 1.078 188 R HN 0.743 nan 8.270 nan 0.000 0.516 189 T N -0.906 113.676 114.554 0.047 0.000 2.821 189 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 189 T C 1.410 176.154 174.700 0.074 0.000 1.046 189 T CA 1.069 63.255 62.100 0.144 0.000 1.139 189 T CB -0.055 68.980 68.868 0.279 0.000 0.871 189 T HN 0.311 nan 8.240 nan 0.000 0.454 190 M N -0.258 119.345 119.600 0.005 0.000 2.936 190 M HA -0.142 4.338 4.480 -0.000 0.000 0.216 190 M C -0.775 175.568 176.300 0.071 0.000 0.544 190 M CA 0.550 55.829 55.300 -0.034 0.000 0.774 190 M CB -1.590 30.978 32.600 -0.053 0.000 2.799 190 M HN 0.492 nan 8.290 nan 0.000 0.474 191 L N -0.248 121.080 121.223 0.175 0.000 3.358 191 L HA 0.481 4.821 4.340 -0.000 0.000 0.301 191 L C -0.390 176.796 176.870 0.526 0.000 1.276 191 L CA -0.334 54.657 54.840 0.252 0.000 1.028 191 L CB 0.585 42.715 42.059 0.118 0.000 1.421 191 L HN 0.336 nan 8.230 nan 0.000 0.604 192 F N 0.678 120.731 119.950 0.171 0.000 2.630 192 F HA 0.411 4.938 4.527 -0.000 0.000 0.325 192 F C -0.512 175.271 175.800 -0.029 0.000 1.184 192 F CA -0.787 57.281 58.000 0.112 0.000 1.011 192 F CB 1.284 40.292 39.000 0.012 0.000 1.268 192 F HN -0.104 nan 8.300 nan 0.000 0.480 193 N N 5.812 124.214 118.700 -0.496 0.000 2.440 193 N HA 0.067 4.807 4.740 -0.000 0.000 0.265 193 N C 0.883 176.031 175.510 -0.603 0.000 1.239 193 N CA 0.337 53.112 53.050 -0.459 0.000 0.909 193 N CB 0.664 38.939 38.487 -0.353 0.000 1.066 193 N HN 0.809 nan 8.380 nan 0.000 0.474 194 I N 1.108 121.470 120.570 -0.347 0.000 3.810 194 I HA 0.124 4.294 4.170 -0.000 0.000 0.322 194 I C 0.893 176.770 176.117 -0.400 0.000 1.288 194 I CA 0.096 61.244 61.300 -0.254 0.000 1.143 194 I CB -0.094 37.823 38.000 -0.138 0.000 1.012 194 I HN 0.428 nan 8.210 nan 0.000 0.423 195 H N 0.072 119.065 119.070 -0.130 0.000 2.367 195 H HA 0.177 4.733 4.556 -0.000 0.000 0.304 195 H C 1.876 177.131 175.328 -0.122 0.000 1.023 195 H CA 1.269 57.261 56.048 -0.093 0.000 1.342 195 H CB -0.214 29.479 29.762 -0.116 0.000 1.486 195 H HN 0.203 nan 8.280 nan 0.000 0.596 196 T N 1.576 116.112 114.554 -0.031 0.000 2.746 196 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 196 T C 0.454 175.039 174.700 -0.191 0.000 1.039 196 T CA 1.044 63.083 62.100 -0.102 0.000 1.142 196 T CB -0.135 68.665 68.868 -0.115 0.000 0.866 196 T HN 0.109 nan 8.240 nan 0.000 0.444 197 L N 1.178 122.171 121.223 -0.384 0.000 3.624 197 L HA -0.069 4.271 4.340 -0.000 0.000 0.425 197 L C -0.572 175.994 176.870 -0.506 0.000 1.247 197 L CA 0.280 54.845 54.840 -0.458 0.000 0.861 197 L CB -2.036 39.902 42.059 -0.201 0.000 1.965 197 L HN 0.351 nan 8.230 nan 0.000 0.751 198 D N -2.006 117.875 120.400 -0.864 0.000 2.596 198 D HA 0.448 5.088 4.640 -0.000 0.000 0.262 198 D C -0.511 175.476 176.300 -0.521 0.000 1.210 198 D CA -0.380 53.309 54.000 -0.517 0.000 0.873 198 D CB 0.832 41.545 40.800 -0.145 0.000 1.408 198 D HN 0.071 nan 8.370 nan 0.000 0.441 199 W N 1.031 122.375 121.300 0.073 0.000 2.343 199 W HA 0.076 4.736 4.660 0.000 0.000 0.337 199 W C 0.401 176.927 176.519 0.012 0.000 1.320 199 W CA -0.230 57.197 57.345 0.135 0.000 1.290 199 W CB 0.269 29.818 29.460 0.147 0.000 1.206 199 W HN 0.294 nan 8.180 nan 0.000 0.565 200 D N 3.765 124.356 120.400 0.318 0.000 2.393 200 D HA -0.016 4.624 4.640 -0.000 0.000 0.232 200 D C 1.032 177.441 176.300 0.181 0.000 1.192 200 D CA -0.073 54.035 54.000 0.180 0.000 0.882 200 D CB 0.533 41.421 40.800 0.147 0.000 1.038 200 D HN 0.248 nan 8.370 nan 0.000 0.499 201 D N 3.215 123.704 120.400 0.147 0.000 2.230 201 D HA -0.293 4.347 4.640 -0.000 0.000 0.189 201 D C 1.606 177.954 176.300 0.080 0.000 1.006 201 D CA 1.267 55.327 54.000 0.100 0.000 0.853 201 D CB 0.056 40.901 40.800 0.076 0.000 0.959 201 D HN 0.549 nan 8.370 nan 0.000 0.449 202 K N -0.264 120.191 120.400 0.091 0.000 2.077 202 K HA -0.261 4.059 4.320 -0.000 0.000 0.213 202 K C 2.157 178.790 176.600 0.055 0.000 1.051 202 K CA 1.633 57.927 56.287 0.011 0.000 0.929 202 K CB -0.155 32.236 32.500 -0.182 0.000 0.715 202 K HN -0.052 nan 8.250 nan 0.000 0.451 203 M N 0.666 120.368 119.600 0.169 0.000 2.126 203 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 203 M C 1.951 178.287 176.300 0.059 0.000 1.073 203 M CA 1.615 57.003 55.300 0.145 0.000 1.103 203 M CB -0.636 32.066 32.600 0.170 0.000 1.284 203 M HN 0.172 nan 8.290 nan 0.000 0.420 204 L N -0.325 120.922 121.223 0.040 0.000 2.021 204 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 204 L C 2.190 179.046 176.870 -0.023 0.000 1.074 204 L CA 1.967 56.792 54.840 -0.025 0.000 0.760 204 L CB -1.296 40.731 42.059 -0.053 0.000 0.889 204 L HN 0.418 nan 8.230 nan 0.000 0.433 205 E N -0.119 120.077 120.200 -0.006 0.000 2.072 205 E HA -0.301 4.049 4.350 -0.000 0.000 0.218 205 E C 2.156 178.746 176.600 -0.016 0.000 1.051 205 E CA 2.578 58.968 56.400 -0.015 0.000 0.880 205 E CB -0.213 29.476 29.700 -0.019 0.000 0.783 205 E HN 0.282 nan 8.360 nan 0.000 0.473 206 V N 0.617 120.527 119.914 -0.005 0.000 2.231 206 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 206 V C 2.427 178.526 176.094 0.008 0.000 1.058 206 V CA 2.149 64.452 62.300 0.005 0.000 1.022 206 V CB -0.639 31.200 31.823 0.026 0.000 0.640 206 V HN 0.278 nan 8.190 nan 0.000 0.445 207 L N 0.064 121.289 121.223 0.003 0.000 2.376 207 L HA 0.048 4.388 4.340 -0.000 0.000 0.219 207 L C 0.842 177.694 176.870 -0.030 0.000 1.133 207 L CA 1.214 56.048 54.840 -0.009 0.000 0.816 207 L CB -0.714 41.332 42.059 -0.022 0.000 0.933 207 L HN 0.636 nan 8.230 nan 0.000 0.449 208 D N 0.598 120.976 120.400 -0.036 0.000 3.187 208 D HA -0.214 4.426 4.640 -0.000 0.000 0.244 208 D C -0.737 175.520 176.300 -0.072 0.000 1.114 208 D CA 0.413 54.386 54.000 -0.046 0.000 0.920 208 D CB -0.899 39.881 40.800 -0.034 0.000 0.970 208 D HN 0.178 nan 8.370 nan 0.000 0.418 209 I N 2.169 122.680 120.570 -0.097 0.000 2.447 209 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 209 I C -2.010 174.016 176.117 -0.153 0.000 1.023 209 I CA -2.047 59.166 61.300 -0.146 0.000 1.083 209 I CB 2.000 39.877 38.000 -0.205 0.000 1.245 209 I HN -0.019 nan 8.210 nan 0.000 0.434 210 P HA 0.109 nan 4.420 nan 0.000 0.262 210 P C 0.759 177.958 177.300 -0.169 0.000 1.199 210 P CA 0.010 63.032 63.100 -0.130 0.000 0.763 210 P CB 0.558 32.191 31.700 -0.113 0.000 0.790 211 R N 2.680 123.097 120.500 -0.138 0.000 2.185 211 R HA -0.225 4.115 4.340 -0.000 0.000 0.247 211 R C 1.227 177.439 176.300 -0.147 0.000 1.159 211 R CA 1.693 57.699 56.100 -0.156 0.000 0.988 211 R CB -0.037 30.225 30.300 -0.063 0.000 0.871 211 R HN 0.495 nan 8.270 nan 0.000 0.458 212 E N -0.159 119.974 120.200 -0.112 0.000 2.209 212 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 212 E C 1.719 178.240 176.600 -0.132 0.000 0.993 212 E CA 1.725 58.066 56.400 -0.098 0.000 0.819 212 E CB -0.080 29.566 29.700 -0.091 0.000 0.745 212 E HN 0.486 nan 8.360 nan 0.000 0.477 213 M N -0.197 119.305 119.600 -0.163 0.000 2.509 213 M HA 0.184 4.664 4.480 -0.000 0.000 0.250 213 M C 0.164 176.447 176.300 -0.027 0.000 1.132 213 M CA 0.201 55.399 55.300 -0.169 0.000 1.080 213 M CB -0.018 32.482 32.600 -0.166 0.000 1.408 213 M HN -0.140 nan 8.290 nan 0.000 0.484 214 L N 1.032 122.187 121.223 -0.114 0.000 2.418 214 L HA 0.533 4.873 4.340 -0.000 0.000 0.265 214 L C -2.437 174.600 176.870 0.279 0.000 1.143 214 L CA -2.255 52.528 54.840 -0.094 0.000 0.809 214 L CB -0.613 40.836 42.059 -1.018 0.000 1.124 214 L HN -0.143 nan 8.230 nan 0.000 0.456 215 P HA 0.182 nan 4.420 nan 0.000 0.287 215 P C -1.236 176.311 177.300 0.411 0.000 1.296 215 P CA -0.718 62.474 63.100 0.154 0.000 0.811 215 P CB 0.691 31.976 31.700 -0.691 0.000 1.211 216 E N 0.200 120.538 120.200 0.229 0.000 2.259 216 E HA 0.255 4.605 4.350 -0.000 0.000 0.281 216 E C -0.756 175.860 176.600 0.028 0.000 1.037 216 E CA -0.604 55.910 56.400 0.189 0.000 0.854 216 E CB 0.415 30.200 29.700 0.142 0.000 1.051 216 E HN 0.052 nan 8.360 nan 0.000 0.409 217 V N 5.666 125.524 119.914 -0.093 0.000 2.649 217 V HA 0.370 4.490 4.120 -0.000 0.000 0.292 217 V C 0.692 176.509 176.094 -0.462 0.000 1.055 217 V CA -0.161 61.902 62.300 -0.396 0.000 1.023 217 V CB 0.954 32.416 31.823 -0.603 0.000 0.992 217 V HN 0.750 nan 8.190 nan 0.000 0.480 218 R N 2.394 122.526 120.500 -0.613 0.000 2.906 218 R HA 0.622 4.962 4.340 -0.000 0.000 0.258 218 R C -1.139 174.872 176.300 -0.481 0.000 1.156 218 R CA -1.286 54.567 56.100 -0.412 0.000 0.996 218 R CB 1.931 32.233 30.300 0.003 0.000 1.259 218 R HN 0.607 nan 8.270 nan 0.000 0.462 219 R N -0.308 120.157 120.500 -0.058 0.000 2.404 219 R HA 0.282 4.622 4.340 -0.000 0.000 0.291 219 R C 1.003 177.402 176.300 0.165 0.000 1.025 219 R CA -0.362 55.798 56.100 0.099 0.000 0.991 219 R CB 0.782 31.189 30.300 0.178 0.000 1.053 219 R HN 0.575 nan 8.270 nan 0.000 0.479 220 S N 0.233 115.990 115.700 0.095 0.000 2.413 220 S HA -0.194 4.276 4.470 -0.000 0.000 0.237 220 S C 0.869 175.550 174.600 0.136 0.000 1.044 220 S CA 1.592 59.822 58.200 0.050 0.000 1.024 220 S CB -0.118 63.033 63.200 -0.080 0.000 0.829 220 S HN 0.615 nan 8.310 nan 0.000 0.475 221 S N 0.459 116.213 115.700 0.090 0.000 2.605 221 S HA 0.578 5.048 4.470 -0.000 0.000 0.308 221 S C -0.902 173.675 174.600 -0.038 0.000 1.113 221 S CA -0.644 57.601 58.200 0.075 0.000 1.049 221 S CB 1.119 64.347 63.200 0.046 0.000 1.001 221 S HN 0.509 nan 8.310 nan 0.000 0.480 222 E N 2.424 122.482 120.200 -0.237 0.000 2.352 222 E HA 0.221 4.571 4.350 -0.000 0.000 0.278 222 E C -2.123 173.938 176.600 -0.898 0.000 1.197 222 E CA -0.896 55.220 56.400 -0.474 0.000 0.931 222 E CB 0.083 29.533 29.700 -0.417 0.000 1.237 222 E HN 0.414 nan 8.360 nan 0.000 0.417 223 V N 3.271 122.829 119.914 -0.594 0.000 2.407 223 V HA 0.264 4.384 4.120 -0.000 0.000 0.278 223 V C -0.359 175.474 176.094 -0.436 0.000 1.037 223 V CA -0.133 61.882 62.300 -0.476 0.000 0.900 223 V CB 0.675 32.399 31.823 -0.165 0.000 0.983 223 V HN 0.681 nan 8.190 nan 0.000 0.459 224 Y N 3.040 123.344 120.300 0.007 0.000 2.442 224 Y HA 0.653 5.203 4.550 -0.000 0.000 0.250 224 Y C 1.270 177.176 175.900 0.011 0.000 1.113 224 Y CA 0.171 58.274 58.100 0.006 0.000 1.273 224 Y CB 0.320 38.779 38.460 -0.002 0.000 1.138 224 Y HN 0.770 nan 8.280 nan 0.000 0.522 225 G N 0.063 108.962 108.800 0.164 0.000 2.398 225 G HA2 0.454 4.414 3.960 -0.000 0.000 0.251 225 G HA3 0.454 4.414 3.960 -0.000 0.000 0.251 225 G C -1.872 173.071 174.900 0.072 0.000 1.277 225 G CA -0.821 44.335 45.100 0.093 0.000 0.927 225 G HN 0.126 nan 8.290 nan 0.000 0.477 226 Q N -1.203 118.623 119.800 0.043 0.000 2.575 226 Q HA 0.671 5.011 4.340 -0.000 0.000 0.290 226 Q C -1.199 174.808 176.000 0.012 0.000 0.963 226 Q CA -0.994 54.828 55.803 0.031 0.000 0.783 226 Q CB 1.598 30.349 28.738 0.022 0.000 1.467 226 Q HN 0.729 nan 8.270 nan 0.000 0.402 227 T N -0.067 114.495 114.554 0.014 0.000 2.855 227 T HA 0.571 4.921 4.350 -0.000 0.000 0.281 227 T C -0.639 174.064 174.700 0.004 0.000 1.007 227 T CA -0.858 61.247 62.100 0.008 0.000 1.009 227 T CB 1.023 69.906 68.868 0.026 0.000 0.983 227 T HN 0.546 nan 8.240 nan 0.000 0.455 228 N N 2.085 120.784 118.700 -0.002 0.000 2.469 228 N HA 0.348 5.088 4.740 -0.000 0.000 0.253 228 N C -0.340 175.170 175.510 0.001 0.000 0.970 228 N CA -1.205 51.843 53.050 -0.003 0.000 0.940 228 N CB 0.131 38.612 38.487 -0.011 0.000 1.128 228 N HN 0.745 nan 8.380 nan 0.000 0.503 229 I N 1.356 121.926 120.570 -0.001 0.000 3.158 229 I HA 0.601 4.771 4.170 -0.000 0.000 0.344 229 I C 0.938 177.050 176.117 -0.008 0.000 1.459 229 I CA -0.625 60.672 61.300 -0.004 0.000 0.956 229 I CB 0.340 38.334 38.000 -0.011 0.000 1.793 229 I HN 0.501 nan 8.210 nan 0.000 0.522 230 G N 1.355 110.151 108.800 -0.006 0.000 2.598 230 G HA2 0.183 4.143 3.960 -0.000 0.000 0.269 230 G HA3 0.183 4.143 3.960 -0.000 0.000 0.269 230 G C 0.470 175.367 174.900 -0.005 0.000 1.289 230 G CA 0.152 45.248 45.100 -0.006 0.000 0.926 230 G HN 1.896 nan 8.290 nan 0.000 0.567 231 G N -0.945 107.852 108.800 -0.005 0.000 2.488 231 G HA2 0.052 4.012 3.960 -0.000 0.000 0.237 231 G HA3 0.052 4.012 3.960 -0.000 0.000 0.237 231 G C 0.345 175.245 174.900 -0.000 0.000 1.209 231 G CA 0.973 46.071 45.100 -0.003 0.000 0.929 231 G HN 1.623 nan 8.290 nan 0.000 0.578 232 K N 1.286 121.688 120.400 0.003 0.000 2.489 232 K HA 0.430 4.750 4.320 -0.000 0.000 0.278 232 K C 1.270 177.870 176.600 0.001 0.000 1.000 232 K CA 0.481 56.769 56.287 0.003 0.000 1.012 232 K CB -0.139 32.365 32.500 0.006 0.000 0.903 232 K HN 1.188 nan 8.250 nan 0.000 0.485 233 G N 1.801 110.602 108.800 0.000 0.000 2.474 233 G HA2 0.208 4.168 3.960 -0.000 0.000 0.233 233 G HA3 0.208 4.168 3.960 -0.000 0.000 0.233 233 G C 0.677 175.577 174.900 -0.001 0.000 1.278 233 G CA 0.030 45.129 45.100 -0.001 0.000 0.861 233 G HN 0.980 nan 8.290 nan 0.000 0.567 234 G N 0.677 109.476 108.800 -0.002 0.000 2.416 234 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.301 234 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.301 234 G C 0.485 175.385 174.900 -0.000 0.000 0.985 234 G CA 0.802 45.900 45.100 -0.002 0.000 0.934 234 G HN 0.972 nan 8.290 nan 0.000 0.513 235 T N 0.903 115.457 114.554 0.001 0.000 2.770 235 T HA 0.572 4.922 4.350 -0.000 0.000 0.297 235 T C 0.356 175.059 174.700 0.004 0.000 0.997 235 T CA -0.692 61.410 62.100 0.004 0.000 0.949 235 T CB 0.758 69.629 68.868 0.006 0.000 0.941 235 T HN 0.333 nan 8.240 nan 0.000 0.457 236 R N 2.804 123.307 120.500 0.005 0.000 2.828 236 R HA 0.654 4.994 4.340 -0.000 0.000 0.264 236 R C -0.419 175.888 176.300 0.011 0.000 1.022 236 R CA -1.133 54.971 56.100 0.006 0.000 1.021 236 R CB 1.040 31.343 30.300 0.004 0.000 1.163 236 R HN 0.563 nan 8.270 nan 0.000 0.494 237 I N 2.791 123.369 120.570 0.013 0.000 2.447 237 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 237 I C -2.240 173.893 176.117 0.027 0.000 1.023 237 I CA -2.400 58.910 61.300 0.018 0.000 1.083 237 I CB 2.368 40.378 38.000 0.017 0.000 1.245 237 I HN 0.168 nan 8.210 nan 0.000 0.434 238 P HA 0.259 nan 4.420 nan 0.000 0.271 238 P C -0.763 176.578 177.300 0.069 0.000 1.216 238 P CA 0.088 63.213 63.100 0.043 0.000 0.776 238 P CB 1.010 32.728 31.700 0.029 0.000 0.881 239 I N 2.178 122.815 120.570 0.112 0.000 2.362 239 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 239 I C 0.560 176.869 176.117 0.321 0.000 0.994 239 I CA -0.297 61.112 61.300 0.183 0.000 1.158 239 I CB 1.486 39.584 38.000 0.162 0.000 1.315 239 I HN 0.359 nan 8.210 nan 0.000 0.451 240 S N 2.684 118.575 115.700 0.319 0.000 3.041 240 S HA 0.497 4.967 4.470 -0.000 0.000 0.250 240 S C -0.139 174.710 174.600 0.415 0.000 0.898 240 S CA -0.596 57.782 58.200 0.298 0.000 1.100 240 S CB 0.634 63.854 63.200 0.034 0.000 1.149 240 S HN 0.826 nan 8.310 nan 0.000 0.540 241 G N 0.848 109.936 108.800 0.479 0.000 2.746 241 G HA2 0.705 4.665 3.960 -0.000 0.000 0.297 241 G HA3 0.705 4.665 3.960 -0.000 0.000 0.297 241 G C -1.545 173.407 174.900 0.086 0.000 1.426 241 G CA -0.723 44.533 45.100 0.259 0.000 0.989 241 G HN 0.351 nan 8.290 nan 0.000 0.520 242 I N 1.117 121.691 120.570 0.007 0.000 2.608 242 I HA 0.584 4.754 4.170 -0.000 0.000 0.280 242 I C -0.113 175.942 176.117 -0.103 0.000 1.186 242 I CA -0.270 60.958 61.300 -0.120 0.000 1.081 242 I CB 1.846 39.667 38.000 -0.299 0.000 1.272 242 I HN 0.828 nan 8.210 nan 0.000 0.460 243 A N 3.740 126.511 122.820 -0.082 0.000 2.587 243 A HA 0.879 5.199 4.320 -0.000 0.000 0.293 243 A C -0.125 177.418 177.584 -0.069 0.000 1.087 243 A CA -0.590 51.397 52.037 -0.084 0.000 0.692 243 A CB 1.351 20.298 19.000 -0.089 0.000 1.291 243 A HN 0.727 nan 8.150 nan 0.000 0.407 244 G N 0.897 109.650 108.800 -0.079 0.000 2.272 244 G HA2 0.324 4.284 3.960 -0.000 0.000 0.247 244 G HA3 0.324 4.284 3.960 -0.000 0.000 0.247 244 G C 0.580 175.434 174.900 -0.075 0.000 1.272 244 G CA 0.665 45.712 45.100 -0.087 0.000 0.921 244 G HN 0.954 nan 8.290 nan 0.000 0.495 245 D N 2.381 122.739 120.400 -0.070 0.000 2.248 245 D HA -0.293 4.347 4.640 -0.000 0.000 0.191 245 D C 1.780 178.051 176.300 -0.048 0.000 1.013 245 D CA 1.705 55.680 54.000 -0.042 0.000 0.883 245 D CB -0.143 40.640 40.800 -0.028 0.000 0.915 245 D HN 0.359 nan 8.370 nan 0.000 0.448 246 Q N 0.222 119.947 119.800 -0.125 0.000 2.020 246 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 246 Q C 2.455 178.448 176.000 -0.012 0.000 0.982 246 Q CA 1.703 57.443 55.803 -0.106 0.000 0.838 246 Q CB -0.616 27.959 28.738 -0.273 0.000 0.899 246 Q HN 0.570 nan 8.270 nan 0.000 0.423 247 Q N -0.047 119.740 119.800 -0.021 0.000 2.079 247 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 247 Q C 2.001 178.039 176.000 0.064 0.000 0.974 247 Q CA 1.499 57.315 55.803 0.022 0.000 0.840 247 Q CB -0.378 28.350 28.738 -0.017 0.000 0.898 247 Q HN 0.421 nan 8.270 nan 0.000 0.430 248 A N 0.927 123.765 122.820 0.031 0.000 1.958 248 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 248 A C 2.229 179.872 177.584 0.098 0.000 1.178 248 A CA 1.905 53.977 52.037 0.058 0.000 0.642 248 A CB -1.009 18.001 19.000 0.017 0.000 0.816 248 A HN 0.421 nan 8.150 nan 0.000 0.453 249 A N -0.795 122.070 122.820 0.074 0.000 1.841 249 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 249 A C 2.055 179.703 177.584 0.106 0.000 1.195 249 A CA 1.604 53.688 52.037 0.078 0.000 0.611 249 A CB -0.747 18.301 19.000 0.081 0.000 0.835 249 A HN 0.594 nan 8.150 nan 0.000 0.443 250 L N -1.571 119.726 121.223 0.123 0.000 2.089 250 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 250 L C 2.140 179.115 176.870 0.174 0.000 1.079 250 L CA 1.840 56.761 54.840 0.135 0.000 0.758 250 L CB -0.892 41.248 42.059 0.135 0.000 0.891 250 L HN 0.432 nan 8.230 nan 0.000 0.433 251 F N -0.005 119.971 119.950 0.043 0.000 2.039 251 F HA -0.025 4.502 4.527 -0.000 0.000 0.294 251 F C 2.411 178.274 175.800 0.105 0.000 1.130 251 F CA 1.669 59.712 58.000 0.070 0.000 1.189 251 F CB -1.143 37.901 39.000 0.074 0.000 0.983 251 F HN 0.126 nan 8.300 nan 0.000 0.471 252 G N -0.635 108.245 108.800 0.133 0.000 2.517 252 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.222 252 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.222 252 G C 1.483 176.393 174.900 0.016 0.000 1.109 252 G CA 0.715 45.788 45.100 -0.044 0.000 0.746 252 G HN 0.332 nan 8.290 nan 0.000 0.576 253 Q N -0.826 118.989 119.800 0.026 0.000 2.435 253 Q HA 0.099 4.439 4.340 -0.000 0.000 0.207 253 Q C 1.038 177.029 176.000 -0.015 0.000 0.956 253 Q CA 0.117 55.933 55.803 0.022 0.000 0.917 253 Q CB 0.053 28.821 28.738 0.050 0.000 0.997 253 Q HN 0.329 nan 8.270 nan 0.000 0.497 254 L N -1.489 119.684 121.223 -0.084 0.000 4.291 254 L HA -0.213 4.127 4.340 -0.000 0.000 0.413 254 L C -0.391 176.424 176.870 -0.091 0.000 1.162 254 L CA 0.352 55.090 54.840 -0.169 0.000 0.961 254 L CB -2.920 39.054 42.059 -0.142 0.000 2.095 254 L HN 0.200 nan 8.230 nan 0.000 0.838 255 C N 0.475 119.762 119.300 -0.022 0.000 2.615 255 C HA 0.428 4.888 4.460 -0.000 0.000 0.503 255 C C 2.057 177.083 174.990 0.061 0.000 1.039 255 C CA 0.013 59.047 59.018 0.028 0.000 1.226 255 C CB -1.271 26.504 27.740 0.058 0.000 1.447 255 C HN 0.423 nan 8.230 nan 0.000 0.572 256 V N -1.670 118.260 119.914 0.027 0.000 3.647 256 V HA 0.203 4.323 4.120 -0.000 0.000 0.279 256 V C 0.561 176.695 176.094 0.067 0.000 1.314 256 V CA 0.567 62.917 62.300 0.083 0.000 1.125 256 V CB -0.606 31.253 31.823 0.061 0.000 0.907 256 V HN 0.417 nan 8.190 nan 0.000 0.434 257 K N 2.084 122.511 120.400 0.044 0.000 2.221 257 K HA 0.386 4.706 4.320 -0.000 0.000 0.258 257 K C 0.113 176.743 176.600 0.050 0.000 0.944 257 K CA -0.554 55.757 56.287 0.041 0.000 0.823 257 K CB 1.428 33.943 32.500 0.024 0.000 1.113 257 K HN 0.504 nan 8.250 nan 0.000 0.431 258 E N 1.566 121.798 120.200 0.054 0.000 2.481 258 E HA 0.052 4.402 4.350 -0.000 0.000 0.263 258 E C 0.391 177.021 176.600 0.050 0.000 0.992 258 E CA 1.134 57.571 56.400 0.061 0.000 0.938 258 E CB 0.175 29.913 29.700 0.063 0.000 0.933 258 E HN 0.724 nan 8.360 nan 0.000 0.453 259 G N 3.429 112.262 108.800 0.055 0.000 2.234 259 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.235 259 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.235 259 G C 0.254 175.185 174.900 0.051 0.000 0.997 259 G CA 0.232 45.361 45.100 0.049 0.000 0.623 259 G HN 0.529 nan 8.290 nan 0.000 0.514 260 M N 1.551 121.183 119.600 0.053 0.000 2.146 260 M HA 0.601 5.081 4.480 -0.000 0.000 0.357 260 M C 0.378 176.718 176.300 0.066 0.000 1.261 260 M CA 0.542 55.874 55.300 0.053 0.000 1.106 260 M CB 1.414 34.040 32.600 0.043 0.000 1.612 260 M HN 0.615 nan 8.290 nan 0.000 0.470 261 A N 3.474 126.334 122.820 0.068 0.000 2.527 261 A HA 0.964 5.284 4.320 -0.000 0.000 0.293 261 A C -1.263 176.371 177.584 0.083 0.000 1.117 261 A CA -0.818 51.266 52.037 0.079 0.000 0.723 261 A CB 1.768 20.815 19.000 0.079 0.000 1.313 261 A HN 0.749 nan 8.150 nan 0.000 0.411 262 K N 0.122 120.580 120.400 0.096 0.000 2.555 262 K HA 0.685 5.005 4.320 -0.000 0.000 0.279 262 K C -1.504 175.171 176.600 0.125 0.000 0.986 262 K CA -0.618 55.736 56.287 0.110 0.000 0.880 262 K CB 1.273 33.840 32.500 0.111 0.000 1.474 262 K HN 0.416 nan 8.250 nan 0.000 0.433 263 N N -0.048 118.749 118.700 0.161 0.000 2.399 263 N HA 0.405 5.145 4.740 -0.000 0.000 0.284 263 N C -1.595 174.055 175.510 0.233 0.000 1.025 263 N CA -0.366 52.776 53.050 0.153 0.000 0.885 263 N CB 2.141 40.712 38.487 0.139 0.000 1.339 263 N HN 0.673 nan 8.380 nan 0.000 0.487 264 T N 3.512 118.141 114.554 0.125 0.000 2.771 264 T HA 0.255 4.605 4.350 -0.000 0.000 0.291 264 T C -0.529 174.170 174.700 -0.000 0.000 0.954 264 T CA 0.066 62.276 62.100 0.185 0.000 1.045 264 T CB 0.064 69.054 68.868 0.204 0.000 0.917 264 T HN 0.242 nan 8.240 nan 0.000 0.484 265 Y N 2.927 123.280 120.300 0.088 0.000 2.907 265 Y HA 0.512 5.062 4.550 -0.000 0.000 0.332 265 Y C 0.973 176.929 175.900 0.093 0.000 1.211 265 Y CA -0.671 57.468 58.100 0.066 0.000 1.387 265 Y CB 0.309 38.793 38.460 0.041 0.000 1.396 265 Y HN 0.825 nan 8.280 nan 0.000 0.519 266 G N -0.291 108.606 108.800 0.161 0.000 3.234 266 G HA2 0.097 4.056 3.960 -0.000 0.000 0.159 266 G HA3 0.097 4.056 3.960 -0.000 0.000 0.159 266 G C 0.912 175.930 174.900 0.197 0.000 1.175 266 G CA -0.258 44.962 45.100 0.199 0.000 0.900 266 G HN 0.189 nan 8.290 nan 0.000 0.621 267 T N 0.164 114.890 114.554 0.287 0.000 2.759 267 T HA 0.119 4.469 4.350 -0.000 0.000 0.269 267 T C 1.109 175.992 174.700 0.304 0.000 1.042 267 T CA 1.724 64.015 62.100 0.318 0.000 1.140 267 T CB -0.407 68.741 68.868 0.467 0.000 0.864 267 T HN 0.696 nan 8.240 nan 0.000 0.455 268 G N -1.354 107.627 108.800 0.301 0.000 2.816 268 G HA2 0.493 4.453 3.960 -0.000 0.000 0.288 268 G HA3 0.493 4.453 3.960 -0.000 0.000 0.288 268 G C -1.225 173.401 174.900 -0.457 0.000 1.334 268 G CA -0.566 44.483 45.100 -0.085 0.000 0.978 268 G HN 0.293 nan 8.290 nan 0.000 0.493 269 C N -0.241 118.616 119.300 -0.739 0.000 2.350 269 C HA 0.732 5.192 4.460 -0.000 0.000 0.348 269 C C -1.148 173.298 174.990 -0.906 0.000 1.260 269 C CA -0.309 58.303 59.018 -0.676 0.000 1.966 269 C CB -0.747 26.664 27.740 -0.547 0.000 2.380 269 C HN 0.436 nan 8.230 nan 0.000 0.535 270 F N 3.850 123.725 119.950 -0.126 0.000 2.828 270 F HA 0.380 4.907 4.527 -0.000 0.000 0.355 270 F C 0.062 175.851 175.800 -0.019 0.000 1.200 270 F CA -0.430 57.547 58.000 -0.039 0.000 1.062 270 F CB 0.869 39.864 39.000 -0.008 0.000 1.351 270 F HN 0.440 nan 8.300 nan 0.000 0.504 271 M N 5.191 124.878 119.600 0.144 0.000 2.063 271 M HA 0.638 5.118 4.480 -0.000 0.000 0.348 271 M C -1.923 174.465 176.300 0.145 0.000 1.180 271 M CA -0.464 54.904 55.300 0.113 0.000 1.059 271 M CB 0.486 33.121 32.600 0.057 0.000 1.544 271 M HN 0.473 nan 8.290 nan 0.000 0.447 272 L N 5.421 126.727 121.223 0.138 0.000 2.342 272 L HA 0.667 5.007 4.340 -0.000 0.000 0.271 272 L C -0.677 176.259 176.870 0.112 0.000 1.008 272 L CA -0.243 54.676 54.840 0.132 0.000 0.818 272 L CB 2.115 44.251 42.059 0.128 0.000 1.296 272 L HN 0.803 nan 8.230 nan 0.000 0.427 273 M N 2.705 122.370 119.600 0.109 0.000 2.259 273 M HA 0.408 4.888 4.480 -0.000 0.000 0.304 273 M C -0.762 175.598 176.300 0.101 0.000 1.019 273 M CA -0.559 54.799 55.300 0.097 0.000 0.922 273 M CB 1.378 34.031 32.600 0.088 0.000 1.600 273 M HN 0.626 nan 8.290 nan 0.000 0.433 274 N N 2.337 121.093 118.700 0.094 0.000 2.492 274 N HA 0.052 4.792 4.740 -0.000 0.000 0.262 274 N C -0.092 175.479 175.510 0.101 0.000 1.202 274 N CA 0.768 53.876 53.050 0.098 0.000 0.926 274 N CB 0.990 39.529 38.487 0.087 0.000 1.078 274 N HN 0.784 nan 8.380 nan 0.000 0.454 275 T N 0.660 115.291 114.554 0.129 0.000 3.296 275 T HA 0.382 4.732 4.350 -0.000 0.000 0.285 275 T C 0.987 175.776 174.700 0.149 0.000 1.014 275 T CA 0.228 62.406 62.100 0.130 0.000 0.920 275 T CB -0.402 68.547 68.868 0.135 0.000 1.143 275 T HN 0.677 nan 8.240 nan 0.000 0.522 276 G N 3.261 112.133 108.800 0.120 0.000 2.611 276 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.301 276 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.301 276 G C 0.477 175.455 174.900 0.129 0.000 1.233 276 G CA 0.666 45.827 45.100 0.101 0.000 0.993 276 G HN 0.684 nan 8.290 nan 0.000 0.553 277 E N 0.859 121.138 120.200 0.132 0.000 2.479 277 E HA 0.384 4.734 4.350 -0.000 0.000 0.193 277 E C 0.886 177.668 176.600 0.303 0.000 1.049 277 E CA 0.639 57.137 56.400 0.163 0.000 0.870 277 E CB 0.284 30.038 29.700 0.090 0.000 0.944 277 E HN 0.570 nan 8.360 nan 0.000 0.492 278 K N 0.782 121.345 120.400 0.273 0.000 2.221 278 K HA 0.664 4.984 4.320 -0.000 0.000 0.258 278 K C -0.784 175.813 176.600 -0.005 0.000 0.944 278 K CA -0.793 55.577 56.287 0.139 0.000 0.823 278 K CB 1.463 34.000 32.500 0.062 0.000 1.113 278 K HN 0.128 nan 8.250 nan 0.000 0.431 279 A N 2.453 125.041 122.820 -0.386 0.000 2.340 279 A HA 0.461 4.781 4.320 -0.000 0.000 0.268 279 A C -0.707 176.749 177.584 -0.212 0.000 1.100 279 A CA -0.537 51.129 52.037 -0.619 0.000 0.803 279 A CB 0.641 19.148 19.000 -0.820 0.000 1.043 279 A HN 0.443 nan 8.150 nan 0.000 0.488 280 V N 2.289 122.119 119.914 -0.140 0.000 2.407 280 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 280 V C 0.179 176.256 176.094 -0.030 0.000 1.018 280 V CA -0.909 61.361 62.300 -0.050 0.000 0.842 280 V CB 1.059 32.880 31.823 -0.004 0.000 0.996 280 V HN 0.970 nan 8.190 nan 0.000 0.426 281 K N 2.327 122.713 120.400 -0.024 0.000 2.382 281 K HA 0.311 4.631 4.320 -0.000 0.000 0.275 281 K C 0.248 176.855 176.600 0.011 0.000 1.009 281 K CA 0.133 56.414 56.287 -0.010 0.000 0.970 281 K CB 0.734 33.227 32.500 -0.012 0.000 0.934 281 K HN 0.800 nan 8.250 nan 0.000 0.479 282 S N 2.940 118.653 115.700 0.022 0.000 2.437 282 S HA 0.178 4.648 4.470 -0.000 0.000 0.305 282 S C 0.142 174.768 174.600 0.043 0.000 1.109 282 S CA -0.668 57.559 58.200 0.044 0.000 1.099 282 S CB 1.169 64.411 63.200 0.071 0.000 1.004 282 S HN 0.664 nan 8.310 nan 0.000 0.475 283 E N 3.591 123.818 120.200 0.045 0.000 2.476 283 E HA 0.112 4.462 4.350 -0.000 0.000 0.199 283 E C -0.347 176.284 176.600 0.052 0.000 1.021 283 E CA 0.289 56.714 56.400 0.042 0.000 0.907 283 E CB 0.140 29.859 29.700 0.032 0.000 0.974 283 E HN 0.760 nan 8.360 nan 0.000 0.489 284 N N -0.119 118.621 118.700 0.066 0.000 2.599 284 N HA 0.244 4.984 4.740 -0.000 0.000 0.309 284 N C 0.084 175.661 175.510 0.112 0.000 1.743 284 N CA 0.132 53.224 53.050 0.069 0.000 0.918 284 N CB 1.322 39.840 38.487 0.053 0.000 1.339 284 N HN -0.028 nan 8.380 nan 0.000 0.493 285 G N 0.931 109.816 108.800 0.141 0.000 2.369 285 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.286 285 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.286 285 G C -0.282 174.852 174.900 0.388 0.000 0.938 285 G CA 0.406 45.653 45.100 0.246 0.000 1.271 285 G HN 0.355 nan 8.290 nan 0.000 0.488 286 L N -0.862 120.518 121.223 0.263 0.000 2.286 286 L HA 0.671 5.011 4.340 -0.000 0.000 0.265 286 L C 0.830 177.843 176.870 0.238 0.000 1.012 286 L CA -1.251 53.763 54.840 0.290 0.000 0.818 286 L CB 1.630 43.804 42.059 0.193 0.000 1.337 286 L HN 0.089 nan 8.230 nan 0.000 0.438 287 L N 0.245 121.630 121.223 0.270 0.000 2.334 287 L HA 0.444 4.784 4.340 -0.000 0.000 0.275 287 L C -0.413 176.529 176.870 0.120 0.000 1.036 287 L CA -0.469 54.486 54.840 0.191 0.000 0.807 287 L CB 1.771 44.003 42.059 0.288 0.000 1.231 287 L HN 0.562 nan 8.230 nan 0.000 0.438 288 T N 0.272 114.855 114.554 0.049 0.000 2.788 288 T HA 0.557 4.907 4.350 -0.000 0.000 0.296 288 T C 0.016 174.736 174.700 0.032 0.000 1.009 288 T CA -0.697 61.420 62.100 0.030 0.000 0.949 288 T CB 1.042 69.893 68.868 -0.028 0.000 0.946 288 T HN 0.770 nan 8.240 nan 0.000 0.453 289 T N -0.218 114.400 114.554 0.107 0.000 2.778 289 T HA 0.658 5.008 4.350 -0.000 0.000 0.293 289 T C -0.218 174.616 174.700 0.223 0.000 1.144 289 T CA -1.068 61.109 62.100 0.129 0.000 1.010 289 T CB 0.791 69.686 68.868 0.045 0.000 1.325 289 T HN 0.452 nan 8.240 nan 0.000 0.515 290 I N 1.886 122.519 120.570 0.105 0.000 2.587 290 I HA 0.459 4.629 4.170 -0.000 0.000 0.284 290 I C 0.771 176.842 176.117 -0.076 0.000 1.134 290 I CA -0.042 61.216 61.300 -0.069 0.000 1.410 290 I CB 0.309 38.269 38.000 -0.066 0.000 1.392 290 I HN 0.958 nan 8.210 nan 0.000 0.545 291 A N 6.364 129.101 122.820 -0.139 0.000 2.548 291 A HA 0.716 5.036 4.320 -0.000 0.000 0.262 291 A C -1.122 176.410 177.584 -0.087 0.000 1.271 291 A CA -0.449 51.551 52.037 -0.061 0.000 0.839 291 A CB 1.123 20.130 19.000 0.011 0.000 1.381 291 A HN 0.682 nan 8.150 nan 0.000 0.468 292 C N 0.047 119.337 119.300 -0.016 0.000 2.355 292 C HA 0.722 5.181 4.460 -0.000 0.000 0.332 292 C C 1.173 176.219 174.990 0.093 0.000 1.255 292 C CA -0.346 58.650 59.018 -0.038 0.000 1.792 292 C CB 0.412 27.993 27.740 -0.265 0.000 2.300 292 C HN 1.033 nan 8.230 nan 0.000 0.515 293 G N 2.533 111.361 108.800 0.047 0.000 2.599 293 G HA2 0.355 4.315 3.960 -0.000 0.000 0.264 293 G HA3 0.355 4.315 3.960 -0.000 0.000 0.264 293 G C -1.480 173.577 174.900 0.263 0.000 1.200 293 G CA -0.642 44.517 45.100 0.099 0.000 0.896 293 G HN 0.546 nan 8.290 nan 0.000 0.536 294 P HA -0.090 nan 4.420 nan 0.000 0.228 294 P C 0.909 178.389 177.300 0.301 0.000 1.143 294 P CA 1.954 65.178 63.100 0.207 0.000 0.771 294 P CB 0.102 31.855 31.700 0.088 0.000 0.764 295 T N -6.563 108.203 114.554 0.354 0.000 4.381 295 T HA 0.445 4.795 4.350 -0.000 0.000 0.309 295 T C 0.771 175.546 174.700 0.126 0.000 0.912 295 T CA 0.141 62.442 62.100 0.335 0.000 0.976 295 T CB -0.984 67.998 68.868 0.190 0.000 1.051 295 T HN 0.205 nan 8.240 nan 0.000 0.447 296 G N 1.877 110.650 108.800 -0.046 0.000 2.147 296 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 296 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 296 G C -0.123 174.733 174.900 -0.073 0.000 1.005 296 G CA 0.299 45.256 45.100 -0.239 0.000 0.713 296 G HN 0.967 nan 8.290 nan 0.000 0.515 297 E N -0.381 119.808 120.200 -0.019 0.000 2.622 297 E HA 0.547 4.896 4.350 -0.000 0.000 0.255 297 E C 0.419 176.975 176.600 -0.073 0.000 1.313 297 E CA -0.829 55.560 56.400 -0.018 0.000 1.011 297 E CB 0.934 30.634 29.700 -0.000 0.000 1.173 297 E HN 0.196 nan 8.360 nan 0.000 0.601 298 V N 1.750 121.587 119.914 -0.128 0.000 2.555 298 V HA 0.118 4.238 4.120 -0.000 0.000 0.286 298 V C -0.000 175.918 176.094 -0.293 0.000 1.044 298 V CA 0.099 62.243 62.300 -0.260 0.000 1.026 298 V CB 0.226 31.813 31.823 -0.394 0.000 0.981 298 V HN 0.566 nan 8.190 nan 0.000 0.480 299 N N 2.154 120.617 118.700 -0.394 0.000 3.278 299 N HA 0.656 5.396 4.740 -0.000 0.000 0.307 299 N C -1.564 173.533 175.510 -0.689 0.000 1.551 299 N CA -0.594 52.240 53.050 -0.361 0.000 0.794 299 N CB 1.516 39.942 38.487 -0.102 0.000 1.770 299 N HN 0.476 nan 8.380 nan 0.000 0.612 300 Y N -0.678 119.626 120.300 0.007 0.000 2.638 300 Y HA 0.842 5.392 4.550 -0.000 0.000 0.339 300 Y C -0.240 175.676 175.900 0.026 0.000 1.084 300 Y CA -0.890 57.212 58.100 0.003 0.000 1.068 300 Y CB 1.789 40.246 38.460 -0.005 0.000 1.294 300 Y HN 0.583 nan 8.280 nan 0.000 0.480 301 A N 0.595 123.577 122.820 0.269 0.000 2.602 301 A HA 0.801 5.121 4.320 -0.000 0.000 0.290 301 A C -2.261 175.412 177.584 0.149 0.000 1.114 301 A CA -0.769 51.370 52.037 0.170 0.000 0.683 301 A CB 1.418 20.495 19.000 0.129 0.000 1.281 301 A HN 0.665 nan 8.150 nan 0.000 0.416 302 L N 1.064 122.363 121.223 0.127 0.000 2.313 302 L HA 0.600 4.940 4.340 -0.000 0.000 0.283 302 L C -0.104 176.852 176.870 0.144 0.000 1.013 302 L CA -0.234 54.679 54.840 0.122 0.000 0.816 302 L CB 1.664 43.784 42.059 0.102 0.000 1.236 302 L HN 0.904 nan 8.230 nan 0.000 0.419 303 E N 2.340 122.646 120.200 0.176 0.000 2.248 303 E HA 0.556 4.906 4.350 -0.000 0.000 0.267 303 E C -0.877 175.885 176.600 0.270 0.000 0.877 303 E CA -0.741 55.792 56.400 0.222 0.000 0.759 303 E CB 2.223 32.073 29.700 0.249 0.000 1.182 303 E HN 0.670 nan 8.360 nan 0.000 0.418 304 G N 2.165 111.110 108.800 0.243 0.000 2.468 304 G HA2 0.583 4.543 3.960 -0.000 0.000 0.315 304 G HA3 0.583 4.543 3.960 -0.000 0.000 0.315 304 G C -0.865 174.161 174.900 0.209 0.000 1.203 304 G CA -0.409 44.810 45.100 0.199 0.000 0.962 304 G HN 0.480 nan 8.290 nan 0.000 0.476 305 A N 2.633 125.598 122.820 0.241 0.000 2.253 305 A HA 0.635 4.955 4.320 -0.000 0.000 0.316 305 A C -0.385 176.969 177.584 -0.384 0.000 1.327 305 A CA -0.480 51.669 52.037 0.187 0.000 0.917 305 A CB 1.145 20.552 19.000 0.679 0.000 1.162 305 A HN 0.739 nan 8.150 nan 0.000 0.535 306 V N 4.708 124.244 119.914 -0.631 0.000 2.304 306 V HA 0.191 4.311 4.120 -0.000 0.000 0.278 306 V C 0.349 176.170 176.094 -0.455 0.000 1.018 306 V CA -0.277 61.666 62.300 -0.595 0.000 0.814 306 V CB 0.130 31.691 31.823 -0.436 0.000 1.021 306 V HN 0.848 nan 8.190 nan 0.000 0.440 307 F N 2.494 122.329 119.950 -0.191 0.000 2.216 307 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 307 F C 1.222 177.085 175.800 0.106 0.000 1.085 307 F CA 0.680 58.746 58.000 0.110 0.000 1.326 307 F CB -0.230 38.856 39.000 0.144 0.000 1.027 307 F HN 0.277 nan 8.300 nan 0.000 0.497 308 M N -0.398 119.275 119.600 0.123 0.000 2.043 308 M HA 0.520 5.000 4.480 -0.000 0.000 0.322 308 M C 0.313 176.617 176.300 0.006 0.000 0.962 308 M CA -0.386 54.954 55.300 0.066 0.000 0.927 308 M CB 0.895 33.538 32.600 0.073 0.000 1.466 308 M HN 0.130 nan 8.290 nan 0.000 0.412 309 A N 2.788 125.618 122.820 0.017 0.000 1.780 309 A HA 0.589 4.909 4.320 -0.000 0.000 0.178 309 A C 1.481 179.099 177.584 0.056 0.000 2.054 309 A CA 0.666 52.711 52.037 0.013 0.000 1.289 309 A CB -0.847 18.124 19.000 -0.048 0.000 0.942 309 A HN 0.687 nan 8.150 nan 0.000 0.659 310 G N -0.008 108.845 108.800 0.088 0.000 2.421 310 G HA2 0.175 4.135 3.960 -0.000 0.000 0.217 310 G HA3 0.175 4.135 3.960 -0.000 0.000 0.217 310 G C 1.623 176.565 174.900 0.070 0.000 1.143 310 G CA 1.569 46.729 45.100 0.099 0.000 0.784 310 G HN 0.982 nan 8.290 nan 0.000 0.541 311 A N 1.241 124.096 122.820 0.059 0.000 1.927 311 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 311 A C 2.683 180.232 177.584 -0.058 0.000 1.185 311 A CA 2.469 54.513 52.037 0.011 0.000 0.639 311 A CB -0.850 18.149 19.000 -0.002 0.000 0.820 311 A HN 0.334 nan 8.150 nan 0.000 0.451 312 S N -0.107 115.533 115.700 -0.100 0.000 2.392 312 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 312 S C 1.773 176.418 174.600 0.075 0.000 1.041 312 S CA 1.858 59.982 58.200 -0.126 0.000 1.100 312 S CB -0.675 62.506 63.200 -0.032 0.000 1.029 312 S HN 0.508 nan 8.310 nan 0.000 0.424 313 I N 1.790 122.417 120.570 0.095 0.000 2.181 313 I HA -0.318 3.852 4.170 -0.000 0.000 0.247 313 I C 2.710 178.891 176.117 0.106 0.000 1.081 313 I CA 1.569 62.938 61.300 0.116 0.000 1.340 313 I CB -0.443 37.619 38.000 0.103 0.000 1.036 313 I HN 0.350 nan 8.210 nan 0.000 0.417 314 Q N -1.159 118.695 119.800 0.090 0.000 2.170 314 Q HA -0.267 4.073 4.340 -0.000 0.000 0.203 314 Q C 2.050 178.120 176.000 0.116 0.000 0.976 314 Q CA 2.032 57.883 55.803 0.081 0.000 0.858 314 Q CB -0.282 28.495 28.738 0.066 0.000 0.907 314 Q HN 0.729 nan 8.270 nan 0.000 0.433 315 W N 0.755 121.998 121.300 -0.095 0.000 2.453 315 W HA -0.061 4.599 4.660 -0.000 0.000 0.289 315 W C 1.184 177.680 176.519 -0.038 0.000 1.215 315 W CA 0.688 57.978 57.345 -0.092 0.000 1.297 315 W CB 0.009 29.328 29.460 -0.235 0.000 1.113 315 W HN -0.008 nan 8.180 nan 0.000 0.551 316 L N 0.843 122.085 121.223 0.033 0.000 2.265 316 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 316 L C 2.715 179.456 176.870 -0.215 0.000 1.117 316 L CA 1.337 56.022 54.840 -0.258 0.000 0.782 316 L CB -1.064 40.962 42.059 -0.056 0.000 0.914 316 L HN 0.083 nan 8.230 nan 0.000 0.441 317 R N 0.466 120.909 120.500 -0.094 0.000 2.048 317 R HA -0.083 4.256 4.340 -0.000 0.000 0.224 317 R C 1.757 177.997 176.300 -0.100 0.000 1.163 317 R CA 1.474 57.534 56.100 -0.067 0.000 0.956 317 R CB -0.003 30.293 30.300 -0.006 0.000 0.849 317 R HN 0.289 nan 8.270 nan 0.000 0.435 318 D N -0.037 120.318 120.400 -0.075 0.000 2.162 318 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 318 D C 1.568 177.801 176.300 -0.112 0.000 0.967 318 D CA 1.085 55.047 54.000 -0.063 0.000 0.840 318 D CB 0.166 40.962 40.800 -0.008 0.000 0.972 318 D HN 0.256 nan 8.370 nan 0.000 0.482 319 E N 0.071 120.141 120.200 -0.216 0.000 2.034 319 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 319 E C 1.998 178.338 176.600 -0.433 0.000 0.963 319 E CA 0.322 56.536 56.400 -0.311 0.000 0.831 319 E CB -0.056 29.381 29.700 -0.439 0.000 0.801 319 E HN -0.068 nan 8.360 nan 0.000 0.463 320 M N 0.471 119.598 119.600 -0.789 0.000 2.346 320 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 320 M C 0.478 176.569 176.300 -0.348 0.000 1.064 320 M CA 1.068 55.994 55.300 -0.623 0.000 1.083 320 M CB -0.751 31.322 32.600 -0.879 0.000 1.399 320 M HN 0.111 nan 8.290 nan 0.000 0.435 321 K N -0.431 119.794 120.400 -0.292 0.000 3.130 321 K HA -0.190 4.130 4.320 -0.000 0.000 0.282 321 K C 0.564 177.061 176.600 -0.173 0.000 1.145 321 K CA 0.198 56.377 56.287 -0.181 0.000 0.831 321 K CB -1.798 30.616 32.500 -0.143 0.000 1.226 321 K HN 0.352 nan 8.250 nan 0.000 0.478 322 L N 0.434 121.530 121.223 -0.211 0.000 2.599 322 L HA 0.179 4.519 4.340 -0.000 0.000 0.230 322 L C 1.271 178.014 176.870 -0.212 0.000 1.141 322 L CA 0.347 55.056 54.840 -0.220 0.000 0.877 322 L CB -0.453 41.461 42.059 -0.242 0.000 1.009 322 L HN 0.324 nan 8.230 nan 0.000 0.447 323 I N -3.792 116.733 120.570 -0.075 0.000 3.395 323 I HA 0.439 4.609 4.170 -0.000 0.000 0.318 323 I C -1.685 174.482 176.117 0.083 0.000 1.262 323 I CA -0.949 60.412 61.300 0.102 0.000 0.910 323 I CB 2.060 40.219 38.000 0.266 0.000 1.329 323 I HN 0.009 nan 8.210 nan 0.000 0.485 324 N N -0.437 118.344 118.700 0.135 0.000 3.387 324 N HA 0.360 5.100 4.740 -0.000 0.000 0.322 324 N C -1.104 174.424 175.510 0.030 0.000 1.588 324 N CA -0.449 52.626 53.050 0.042 0.000 0.778 324 N CB 1.203 39.683 38.487 -0.012 0.000 1.883 324 N HN 0.643 nan 8.380 nan 0.000 0.628 325 D N -0.193 120.197 120.400 -0.016 0.000 2.348 325 D HA 0.139 4.779 4.640 -0.000 0.000 0.211 325 D C 1.468 177.736 176.300 -0.053 0.000 0.998 325 D CA 0.208 54.196 54.000 -0.021 0.000 0.873 325 D CB 0.126 40.910 40.800 -0.027 0.000 0.925 325 D HN 0.531 nan 8.370 nan 0.000 0.524 326 A N 0.318 123.072 122.820 -0.111 0.000 1.835 326 A HA 0.017 4.337 4.320 -0.000 0.000 0.213 326 A C 0.102 177.545 177.584 -0.235 0.000 1.210 326 A CA 0.625 52.507 52.037 -0.259 0.000 0.605 326 A CB -0.350 18.409 19.000 -0.401 0.000 0.860 326 A HN 0.180 nan 8.150 nan 0.000 0.447 327 Y N 1.702 121.946 120.300 -0.094 0.000 2.417 327 Y HA 0.343 4.893 4.550 -0.000 0.000 0.336 327 Y C -0.205 175.632 175.900 -0.105 0.000 0.961 327 Y CA -2.197 55.766 58.100 -0.228 0.000 1.215 327 Y CB 0.140 38.439 38.460 -0.269 0.000 1.120 327 Y HN 0.278 nan 8.280 nan 0.000 0.499 328 D N 0.645 121.076 120.400 0.052 0.000 2.400 328 D HA -0.084 4.556 4.640 -0.000 0.000 0.238 328 D C 1.370 177.717 176.300 0.079 0.000 1.157 328 D CA 0.484 54.520 54.000 0.061 0.000 0.889 328 D CB 1.331 42.156 40.800 0.042 0.000 1.199 328 D HN 0.588 nan 8.370 nan 0.000 0.436 329 S N 2.024 117.816 115.700 0.152 0.000 2.370 329 S HA -0.262 4.208 4.470 -0.000 0.000 0.226 329 S C 1.641 176.277 174.600 0.060 0.000 1.033 329 S CA 1.902 60.214 58.200 0.186 0.000 1.011 329 S CB -0.119 63.162 63.200 0.134 0.000 0.852 329 S HN 0.603 nan 8.310 nan 0.000 0.457 330 E N -0.165 120.035 120.200 0.000 0.000 2.038 330 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 330 E C 1.838 178.326 176.600 -0.187 0.000 1.000 330 E CA 1.442 57.789 56.400 -0.088 0.000 0.803 330 E CB -0.644 29.050 29.700 -0.010 0.000 0.750 330 E HN 0.709 nan 8.360 nan 0.000 0.448 331 Y N 0.186 120.282 120.300 -0.340 0.000 2.024 331 Y HA -0.406 4.144 4.550 -0.000 0.000 0.257 331 Y C 1.704 177.261 175.900 -0.572 0.000 1.233 331 Y CA 2.719 60.476 58.100 -0.571 0.000 1.087 331 Y CB -0.741 37.107 38.460 -1.020 0.000 0.905 331 Y HN 0.124 nan 8.280 nan 0.000 0.503 332 F N -0.385 119.581 119.950 0.028 0.000 2.037 332 F HA -0.038 4.489 4.527 -0.000 0.000 0.291 332 F C 2.770 178.403 175.800 -0.279 0.000 1.137 332 F CA 1.070 59.014 58.000 -0.094 0.000 1.178 332 F CB -1.706 37.298 39.000 0.006 0.000 0.995 332 F HN 0.162 nan 8.300 nan 0.000 0.472 333 A N 0.528 123.308 122.820 -0.065 0.000 1.942 333 A HA -0.424 3.896 4.320 -0.000 0.000 0.227 333 A C 2.231 179.527 177.584 -0.481 0.000 1.445 333 A CA 3.699 55.522 52.037 -0.358 0.000 0.704 333 A CB -1.959 16.693 19.000 -0.580 0.000 0.841 333 A HN 0.548 nan 8.150 nan 0.000 0.495 334 T N -2.540 111.720 114.554 -0.491 0.000 3.007 334 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 334 T C 1.558 176.081 174.700 -0.294 0.000 1.107 334 T CA 1.403 63.270 62.100 -0.387 0.000 1.118 334 T CB -0.326 68.352 68.868 -0.317 0.000 0.889 334 T HN 0.610 nan 8.240 nan 0.000 0.506 335 K N 1.242 121.459 120.400 -0.304 0.000 2.148 335 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 335 K C 1.547 178.038 176.600 -0.180 0.000 1.050 335 K CA 1.006 57.148 56.287 -0.243 0.000 0.942 335 K CB -0.577 31.807 32.500 -0.194 0.000 0.724 335 K HN 0.581 nan 8.250 nan 0.000 0.446 336 V N -0.934 118.859 119.914 -0.202 0.000 3.302 336 V HA 0.190 4.310 4.120 -0.000 0.000 0.316 336 V C 0.321 176.359 176.094 -0.092 0.000 1.111 336 V CA -0.690 61.509 62.300 -0.168 0.000 1.029 336 V CB 1.750 33.391 31.823 -0.305 0.000 1.170 336 V HN 0.011 nan 8.190 nan 0.000 0.452 337 Q N 1.287 121.083 119.800 -0.008 0.000 2.194 337 Q HA 0.336 4.676 4.340 -0.000 0.000 0.214 337 Q C -0.733 175.306 176.000 0.065 0.000 0.838 337 Q CA 0.096 55.915 55.803 0.027 0.000 0.972 337 Q CB -0.016 28.747 28.738 0.042 0.000 1.131 337 Q HN 1.070 nan 8.270 nan 0.000 0.498 338 N N -2.667 116.080 118.700 0.079 0.000 4.046 338 N HA -0.077 4.663 4.740 -0.000 0.000 0.217 338 N C 0.173 175.770 175.510 0.146 0.000 1.317 338 N CA 0.043 53.145 53.050 0.087 0.000 0.871 338 N CB -0.242 38.296 38.487 0.084 0.000 1.461 338 N HN -0.140 nan 8.380 nan 0.000 0.489 339 T N -2.845 111.737 114.554 0.047 0.000 3.155 339 T HA -0.027 4.323 4.350 -0.000 0.000 0.264 339 T C 0.640 175.330 174.700 -0.017 0.000 1.160 339 T CA 1.123 63.252 62.100 0.049 0.000 1.075 339 T CB -0.730 68.085 68.868 -0.088 0.000 0.921 339 T HN 0.816 nan 8.240 nan 0.000 0.533 340 N N 0.382 119.056 118.700 -0.044 0.000 2.782 340 N HA -0.190 4.549 4.740 -0.000 0.000 0.251 340 N C 1.028 176.454 175.510 -0.140 0.000 1.101 340 N CA 1.574 54.485 53.050 -0.231 0.000 0.764 340 N CB -1.492 36.456 38.487 -0.898 0.000 1.122 340 N HN 1.094 nan 8.380 nan 0.000 0.561 341 G N -3.183 105.564 108.800 -0.089 0.000 2.213 341 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.226 341 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.226 341 G C 0.097 174.980 174.900 -0.028 0.000 0.992 341 G CA 0.109 45.183 45.100 -0.043 0.000 0.632 341 G HN 0.630 nan 8.290 nan 0.000 0.511 342 V N 0.718 120.590 119.914 -0.070 0.000 2.843 342 V HA 0.522 4.642 4.120 -0.000 0.000 0.305 342 V C 0.133 176.175 176.094 -0.086 0.000 1.065 342 V CA 0.249 62.551 62.300 0.003 0.000 1.116 342 V CB 0.919 32.751 31.823 0.016 0.000 0.968 342 V HN 0.273 nan 8.190 nan 0.000 0.487 343 Y N 1.817 122.187 120.300 0.117 0.000 2.442 343 Y HA 0.589 5.139 4.550 -0.000 0.000 0.344 343 Y C -0.171 175.854 175.900 0.208 0.000 0.976 343 Y CA -0.739 57.443 58.100 0.136 0.000 1.040 343 Y CB 2.247 40.736 38.460 0.048 0.000 1.228 343 Y HN 0.307 nan 8.280 nan 0.000 0.451 344 V N 4.183 124.319 119.914 0.371 0.000 2.459 344 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 344 V C -0.829 175.485 176.094 0.367 0.000 1.029 344 V CA -0.893 61.593 62.300 0.309 0.000 0.874 344 V CB 1.711 33.687 31.823 0.254 0.000 0.985 344 V HN 0.511 nan 8.190 nan 0.000 0.438 345 V N 6.818 126.873 119.914 0.235 0.000 2.304 345 V HA 0.327 4.447 4.120 -0.000 0.000 0.278 345 V C -2.129 173.978 176.094 0.022 0.000 1.018 345 V CA -1.558 60.821 62.300 0.131 0.000 0.814 345 V CB 1.600 33.411 31.823 -0.019 0.000 1.021 345 V HN 0.776 nan 8.190 nan 0.000 0.440 346 P HA 0.164 nan 4.420 nan 0.000 0.237 346 P C 0.717 178.123 177.300 0.176 0.000 1.723 346 P CA 0.021 63.302 63.100 0.301 0.000 0.882 346 P CB 0.172 32.051 31.700 0.297 0.000 1.810 347 A N -0.565 122.200 122.820 -0.092 0.000 2.426 347 A HA 0.075 4.395 4.320 -0.000 0.000 0.247 347 A C 1.000 178.513 177.584 -0.117 0.000 1.389 347 A CA -0.203 51.767 52.037 -0.113 0.000 1.129 347 A CB -1.626 17.269 19.000 -0.175 0.000 0.928 347 A HN 0.112 nan 8.150 nan 0.000 0.557 348 F N 0.181 120.025 119.950 -0.176 0.000 2.408 348 F HA -0.093 4.434 4.527 -0.000 0.000 0.300 348 F C 1.957 177.651 175.800 -0.176 0.000 1.090 348 F CA 1.866 59.724 58.000 -0.236 0.000 1.427 348 F CB -0.043 38.759 39.000 -0.330 0.000 1.070 348 F HN 0.389 nan 8.300 nan 0.000 0.549 349 T N -2.778 111.838 114.554 0.102 0.000 3.337 349 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 349 T C 0.674 175.447 174.700 0.121 0.000 0.998 349 T CA -0.045 62.085 62.100 0.049 0.000 0.948 349 T CB -0.023 68.835 68.868 -0.016 0.000 1.170 349 T HN 0.420 nan 8.240 nan 0.000 0.508 350 G N 1.215 110.067 108.800 0.087 0.000 2.660 350 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.215 350 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.215 350 G C -0.404 174.551 174.900 0.092 0.000 1.345 350 G CA -0.284 44.868 45.100 0.087 0.000 0.877 350 G HN 0.202 nan 8.290 nan 0.000 0.549 351 L N 0.887 122.116 121.223 0.010 0.000 2.630 351 L HA 0.699 5.039 4.340 -0.000 0.000 0.180 351 L C 2.265 178.699 176.870 -0.727 0.000 1.221 351 L CA 2.915 57.602 54.840 -0.255 0.000 0.853 351 L CB -1.128 40.767 42.059 -0.273 0.000 1.172 351 L HN 2.670 nan 8.230 nan 0.000 0.508 352 G N -1.013 107.395 108.800 -0.653 0.000 2.512 352 G HA2 0.023 3.983 3.960 -0.000 0.000 0.210 352 G HA3 0.023 3.983 3.960 -0.000 0.000 0.210 352 G C -0.221 173.515 174.900 -1.941 0.000 1.295 352 G CA -0.308 43.787 45.100 -1.676 0.000 0.934 352 G HN 0.709 nan 8.290 nan 0.000 0.554 353 A N 1.225 122.728 122.820 -2.195 0.000 2.537 353 A HA 0.544 4.864 4.320 -0.000 0.000 0.260 353 A C -0.630 176.677 177.584 -0.461 0.000 1.082 353 A CA 0.636 52.062 52.037 -1.018 0.000 0.765 353 A CB 0.058 18.905 19.000 -0.254 0.000 1.019 353 A HN 0.707 nan 8.150 nan 0.000 0.507 354 P HA 0.127 nan 4.420 nan 0.000 0.282 354 P C 0.099 177.163 177.300 -0.393 0.000 1.373 354 P CA 0.289 63.161 63.100 -0.379 0.000 1.001 354 P CB 0.088 31.660 31.700 -0.213 0.000 1.489 355 Y N -1.462 118.637 120.300 -0.334 0.000 2.286 355 Y HA 0.040 4.590 4.550 -0.000 0.000 0.293 355 Y C 0.717 176.620 175.900 0.006 0.000 1.124 355 Y CA 0.139 58.159 58.100 -0.134 0.000 1.178 355 Y CB -1.359 37.004 38.460 -0.162 0.000 1.010 355 Y HN -0.136 nan 8.280 nan 0.000 0.536 356 W N 1.694 123.092 121.300 0.163 0.000 6.111 356 W HA -0.233 4.427 4.660 -0.000 0.000 0.409 356 W C -0.118 176.480 176.519 0.131 0.000 1.586 356 W CA 0.483 57.906 57.345 0.129 0.000 1.027 356 W CB -1.354 28.189 29.460 0.139 0.000 2.784 356 W HN 0.093 nan 8.180 nan 0.000 1.485 357 D N 0.529 121.056 120.400 0.212 0.000 2.268 357 D HA 0.467 5.107 4.640 -0.000 0.000 0.249 357 D C -1.736 174.623 176.300 0.098 0.000 1.008 357 D CA -2.297 51.810 54.000 0.179 0.000 0.939 357 D CB 2.022 42.921 40.800 0.165 0.000 1.170 357 D HN -0.130 nan 8.370 nan 0.000 0.468 358 P HA 0.215 nan 4.420 nan 0.000 0.350 358 P C -0.519 176.552 177.300 -0.382 0.000 1.411 358 P CA 0.081 63.027 63.100 -0.256 0.000 1.439 358 P CB 0.468 31.931 31.700 -0.394 0.000 1.668 359 Y N -0.881 119.494 120.300 0.125 0.000 2.425 359 Y HA 0.511 5.061 4.550 -0.000 0.000 0.261 359 Y C 1.252 177.255 175.900 0.170 0.000 1.084 359 Y CA -0.639 57.548 58.100 0.146 0.000 1.248 359 Y CB -0.375 38.183 38.460 0.163 0.000 1.270 359 Y HN -0.188 nan 8.280 nan 0.000 0.524 360 A N 2.224 125.184 122.820 0.234 0.000 2.511 360 A HA 0.474 4.794 4.320 -0.000 0.000 0.242 360 A C 0.325 177.949 177.584 0.065 0.000 1.069 360 A CA 0.034 52.152 52.037 0.135 0.000 0.763 360 A CB 0.208 19.217 19.000 0.014 0.000 1.001 360 A HN 0.238 nan 8.150 nan 0.000 0.498 361 R N 1.140 121.633 120.500 -0.013 0.000 2.837 361 R HA 0.468 4.808 4.340 -0.000 0.000 0.271 361 R C 0.403 176.454 176.300 -0.415 0.000 0.993 361 R CA -0.212 55.768 56.100 -0.200 0.000 0.931 361 R CB 1.686 31.866 30.300 -0.201 0.000 1.206 361 R HN 0.984 nan 8.270 nan 0.000 0.474 362 G N 0.381 108.814 108.800 -0.612 0.000 2.257 362 G HA2 0.285 4.245 3.960 -0.000 0.000 0.235 362 G HA3 0.285 4.245 3.960 -0.000 0.000 0.235 362 G C -0.562 173.908 174.900 -0.718 0.000 1.225 362 G CA 0.559 45.102 45.100 -0.929 0.000 0.878 362 G HN 0.645 nan 8.290 nan 0.000 0.505 363 A N 1.603 124.107 122.820 -0.526 0.000 2.594 363 A HA 0.621 4.941 4.320 -0.000 0.000 0.296 363 A C -1.093 176.317 177.584 -0.290 0.000 1.061 363 A CA -0.666 51.084 52.037 -0.479 0.000 0.689 363 A CB 1.177 19.817 19.000 -0.600 0.000 1.280 363 A HN 0.669 nan 8.150 nan 0.000 0.406 364 I N 1.214 121.528 120.570 -0.425 0.000 2.493 364 I HA 0.791 4.961 4.170 -0.000 0.000 0.298 364 I C -0.862 175.045 176.117 -0.350 0.000 0.998 364 I CA -0.151 61.043 61.300 -0.177 0.000 1.137 364 I CB 1.316 39.277 38.000 -0.066 0.000 1.310 364 I HN 0.488 nan 8.210 nan 0.000 0.445 365 F N 1.783 121.740 119.950 0.013 0.000 2.613 365 F HA 0.664 5.191 4.527 -0.000 0.000 0.314 365 F C 0.854 176.682 175.800 0.048 0.000 1.075 365 F CA -1.530 56.474 58.000 0.007 0.000 0.945 365 F CB 1.548 40.530 39.000 -0.029 0.000 1.310 365 F HN 0.568 nan 8.300 nan 0.000 0.467 366 G N 1.439 110.384 108.800 0.241 0.000 2.212 366 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.255 366 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.255 366 G C -0.521 174.419 174.900 0.067 0.000 1.062 366 G CA -0.515 44.671 45.100 0.143 0.000 0.815 366 G HN 0.583 nan 8.290 nan 0.000 0.497 367 L N 0.625 121.871 121.223 0.039 0.000 2.410 367 L HA 0.471 4.811 4.340 -0.000 0.000 0.273 367 L C 0.818 177.685 176.870 -0.005 0.000 1.152 367 L CA 0.284 55.127 54.840 0.004 0.000 0.855 367 L CB 0.884 42.935 42.059 -0.012 0.000 1.129 367 L HN 0.223 nan 8.230 nan 0.000 0.463 368 T N 2.085 116.625 114.554 -0.024 0.000 2.916 368 T HA 0.306 4.656 4.350 -0.000 0.000 0.292 368 T C 0.966 175.651 174.700 -0.024 0.000 1.055 368 T CA -0.825 61.260 62.100 -0.027 0.000 1.009 368 T CB 2.186 71.028 68.868 -0.043 0.000 1.118 368 T HN 0.461 nan 8.240 nan 0.000 0.497 369 R N 1.296 121.787 120.500 -0.016 0.000 2.154 369 R HA -0.109 4.231 4.340 -0.000 0.000 0.248 369 R C 1.933 178.229 176.300 -0.007 0.000 1.155 369 R CA 1.689 57.784 56.100 -0.009 0.000 0.979 369 R CB -0.783 29.514 30.300 -0.005 0.000 0.869 369 R HN 0.793 nan 8.270 nan 0.000 0.452 370 G N -0.282 108.509 108.800 -0.015 0.000 3.126 370 G HA2 0.138 4.098 3.960 -0.000 0.000 0.224 370 G HA3 0.138 4.098 3.960 -0.000 0.000 0.224 370 G C 0.267 175.170 174.900 0.004 0.000 1.142 370 G CA -0.321 44.779 45.100 0.000 0.000 0.759 370 G HN -0.010 nan 8.290 nan 0.000 0.550 371 V N 2.158 122.049 119.914 -0.038 0.000 2.655 371 V HA 0.205 4.325 4.120 -0.000 0.000 0.300 371 V C 0.284 176.461 176.094 0.138 0.000 1.044 371 V CA -0.365 61.917 62.300 -0.029 0.000 1.095 371 V CB 0.486 32.270 31.823 -0.065 0.000 0.952 371 V HN 0.647 nan 8.190 nan 0.000 0.485 372 N N 3.892 122.820 118.700 0.381 0.000 2.619 372 N HA 0.665 5.405 4.740 -0.000 0.000 0.294 372 N C 0.824 176.377 175.510 0.072 0.000 1.279 372 N CA -0.236 52.907 53.050 0.155 0.000 0.867 372 N CB 1.194 39.715 38.487 0.056 0.000 1.329 372 N HN 0.469 nan 8.380 nan 0.000 0.557 373 A N 0.522 123.316 122.820 -0.043 0.000 1.881 373 A HA -0.346 3.974 4.320 -0.000 0.000 0.219 373 A C 1.719 179.237 177.584 -0.109 0.000 1.215 373 A CA 2.406 54.380 52.037 -0.105 0.000 0.648 373 A CB -1.566 17.306 19.000 -0.213 0.000 0.832 373 A HN 0.773 nan 8.150 nan 0.000 0.455 374 N N -0.310 118.287 118.700 -0.173 0.000 2.005 374 N HA -0.207 4.533 4.740 -0.000 0.000 0.199 374 N C 1.418 176.831 175.510 -0.163 0.000 1.054 374 N CA 2.155 55.095 53.050 -0.185 0.000 0.864 374 N CB -1.044 37.290 38.487 -0.256 0.000 1.063 374 N HN 0.786 nan 8.380 nan 0.000 0.428 375 H N 0.170 119.211 119.070 -0.048 0.000 2.362 375 H HA -0.111 4.445 4.556 -0.000 0.000 0.294 375 H C 1.808 177.116 175.328 -0.033 0.000 1.113 375 H CA 1.313 57.332 56.048 -0.047 0.000 1.253 375 H CB -0.187 29.554 29.762 -0.035 0.000 1.363 375 H HN 0.160 nan 8.280 nan 0.000 0.494 376 I N 0.752 121.382 120.570 0.100 0.000 2.099 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.239 376 I C 2.470 178.633 176.117 0.077 0.000 1.066 376 I CA 1.270 62.622 61.300 0.087 0.000 1.324 376 I CB -1.098 36.944 38.000 0.071 0.000 1.037 376 I HN 0.305 nan 8.210 nan 0.000 0.401 377 I N 0.406 120.995 120.570 0.033 0.000 2.074 377 I HA -0.439 3.731 4.170 -0.000 0.000 0.238 377 I C 2.829 178.962 176.117 0.027 0.000 1.037 377 I CA 2.186 63.508 61.300 0.037 0.000 1.301 377 I CB -0.740 37.270 38.000 0.016 0.000 1.016 377 I HN 0.319 nan 8.210 nan 0.000 0.400 378 R N 1.374 121.847 120.500 -0.045 0.000 2.103 378 R HA -0.228 4.112 4.340 -0.000 0.000 0.234 378 R C 2.456 178.748 176.300 -0.013 0.000 1.132 378 R CA 2.194 58.235 56.100 -0.097 0.000 0.925 378 R CB -0.566 29.628 30.300 -0.177 0.000 0.842 378 R HN 0.361 nan 8.270 nan 0.000 0.430 379 A N 0.154 122.978 122.820 0.006 0.000 1.985 379 A HA -0.271 4.049 4.320 -0.000 0.000 0.223 379 A C 2.272 179.915 177.584 0.099 0.000 1.189 379 A CA 2.465 54.519 52.037 0.028 0.000 0.658 379 A CB -1.321 17.711 19.000 0.053 0.000 0.820 379 A HN 0.624 nan 8.150 nan 0.000 0.464 380 T N 0.135 114.764 114.554 0.126 0.000 2.588 380 T HA -0.091 4.259 4.350 -0.000 0.000 0.261 380 T C 1.816 176.602 174.700 0.143 0.000 1.069 380 T CA 1.322 63.523 62.100 0.169 0.000 1.172 380 T CB -0.460 68.528 68.868 0.200 0.000 0.863 380 T HN 0.375 nan 8.240 nan 0.000 0.408 381 L N 1.016 122.314 121.223 0.124 0.000 2.054 381 L HA -0.281 4.059 4.340 -0.000 0.000 0.220 381 L C 2.647 179.580 176.870 0.106 0.000 1.081 381 L CA 2.020 56.945 54.840 0.141 0.000 0.780 381 L CB -0.842 41.332 42.059 0.192 0.000 0.893 381 L HN 0.528 nan 8.230 nan 0.000 0.438 382 E N -0.411 119.802 120.200 0.022 0.000 2.150 382 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 382 E C 2.148 178.887 176.600 0.231 0.000 0.985 382 E CA 1.273 57.634 56.400 -0.065 0.000 0.814 382 E CB -0.197 29.321 29.700 -0.304 0.000 0.752 382 E HN 0.582 nan 8.360 nan 0.000 0.466 383 S N 1.512 117.347 115.700 0.225 0.000 2.400 383 S HA -0.264 4.206 4.470 -0.000 0.000 0.234 383 S C 1.998 176.610 174.600 0.019 0.000 1.049 383 S CA 1.217 59.502 58.200 0.141 0.000 1.039 383 S CB -0.632 62.698 63.200 0.217 0.000 0.856 383 S HN 0.213 nan 8.310 nan 0.000 0.465 384 I N 2.788 123.401 120.570 0.073 0.000 2.058 384 I HA -0.172 3.998 4.170 -0.000 0.000 0.235 384 I C 3.145 179.258 176.117 -0.008 0.000 1.053 384 I CA 1.339 62.663 61.300 0.041 0.000 1.313 384 I CB -1.086 36.981 38.000 0.112 0.000 1.039 384 I HN 0.444 nan 8.210 nan 0.000 0.396 385 A N 0.226 123.064 122.820 0.030 0.000 1.909 385 A HA -0.320 4.000 4.320 -0.000 0.000 0.221 385 A C 2.200 179.625 177.584 -0.264 0.000 1.223 385 A CA 2.311 54.293 52.037 -0.093 0.000 0.658 385 A CB -1.456 17.505 19.000 -0.065 0.000 0.831 385 A HN 0.456 nan 8.150 nan 0.000 0.462 386 Y N -0.720 119.428 120.300 -0.253 0.000 1.979 386 Y HA -0.339 4.211 4.550 -0.000 0.000 0.262 386 Y C 2.791 178.480 175.900 -0.352 0.000 1.142 386 Y CA 2.225 59.960 58.100 -0.608 0.000 1.096 386 Y CB -1.182 36.169 38.460 -1.848 0.000 0.958 386 Y HN 0.443 nan 8.280 nan 0.000 0.484 387 Q N -0.557 119.136 119.800 -0.179 0.000 2.028 387 Q HA -0.305 4.035 4.340 -0.000 0.000 0.213 387 Q C 2.149 178.192 176.000 0.071 0.000 1.017 387 Q CA 3.294 59.167 55.803 0.117 0.000 0.875 387 Q CB -0.672 28.095 28.738 0.048 0.000 0.962 387 Q HN 0.532 nan 8.270 nan 0.000 0.413 388 T N 0.111 114.641 114.554 -0.040 0.000 2.531 388 T HA -0.341 4.009 4.350 -0.000 0.000 0.261 388 T C 1.559 176.247 174.700 -0.020 0.000 1.141 388 T CA 1.878 63.945 62.100 -0.056 0.000 1.176 388 T CB -0.519 68.313 68.868 -0.060 0.000 0.863 388 T HN 0.350 nan 8.240 nan 0.000 0.424 389 R N 1.325 121.785 120.500 -0.066 0.000 2.196 389 R HA -0.236 4.104 4.340 -0.000 0.000 0.244 389 R C 2.063 178.389 176.300 0.043 0.000 1.121 389 R CA 2.595 58.634 56.100 -0.102 0.000 0.930 389 R CB -0.809 29.311 30.300 -0.300 0.000 0.890 389 R HN 0.562 nan 8.270 nan 0.000 0.435 390 D N 0.124 120.695 120.400 0.284 0.000 2.708 390 D HA -0.292 4.347 4.640 -0.000 0.000 0.217 390 D C 1.941 178.317 176.300 0.127 0.000 1.094 390 D CA 2.468 56.663 54.000 0.325 0.000 0.941 390 D CB -1.158 39.847 40.800 0.342 0.000 1.220 390 D HN 0.398 nan 8.370 nan 0.000 0.495 391 V N 0.386 120.347 119.914 0.079 0.000 2.250 391 V HA -0.303 3.817 4.120 -0.000 0.000 0.250 391 V C 2.717 178.833 176.094 0.037 0.000 1.060 391 V CA 2.190 64.514 62.300 0.039 0.000 1.030 391 V CB -1.317 30.516 31.823 0.017 0.000 0.643 391 V HN 0.301 nan 8.190 nan 0.000 0.445 392 L N 0.688 121.922 121.223 0.019 0.000 1.957 392 L HA -0.304 4.036 4.340 -0.000 0.000 0.228 392 L C 3.067 179.942 176.870 0.009 0.000 1.086 392 L CA 2.915 57.758 54.840 0.005 0.000 0.796 392 L CB -0.762 41.279 42.059 -0.030 0.000 0.900 392 L HN 0.522 nan 8.230 nan 0.000 0.439 393 E N 0.062 120.259 120.200 -0.006 0.000 2.113 393 E HA -0.394 3.956 4.350 -0.000 0.000 0.210 393 E C 2.060 178.677 176.600 0.028 0.000 1.040 393 E CA 1.607 58.010 56.400 0.004 0.000 0.847 393 E CB -0.688 29.021 29.700 0.016 0.000 0.755 393 E HN 0.746 nan 8.360 nan 0.000 0.459 394 A N 1.457 124.301 122.820 0.041 0.000 1.884 394 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 394 A C 2.280 179.894 177.584 0.050 0.000 1.197 394 A CA 2.353 54.417 52.037 0.045 0.000 0.637 394 A CB -0.731 18.297 19.000 0.046 0.000 0.827 394 A HN 0.262 nan 8.150 nan 0.000 0.450 395 M N -0.934 118.698 119.600 0.053 0.000 2.110 395 M HA -0.291 4.189 4.480 -0.000 0.000 0.257 395 M C 2.358 178.688 176.300 0.049 0.000 1.071 395 M CA 2.231 57.566 55.300 0.058 0.000 1.096 395 M CB -0.387 32.250 32.600 0.061 0.000 1.300 395 M HN 0.501 nan 8.290 nan 0.000 0.411 396 Q N 0.379 120.202 119.800 0.038 0.000 1.914 396 Q HA -0.299 4.041 4.340 -0.000 0.000 0.222 396 Q C 2.106 178.127 176.000 0.037 0.000 1.031 396 Q CA 2.193 58.017 55.803 0.035 0.000 0.886 396 Q CB -1.952 26.800 28.738 0.023 0.000 0.982 396 Q HN 0.680 nan 8.270 nan 0.000 0.417 397 A N 2.012 124.853 122.820 0.034 0.000 1.900 397 A HA -0.385 3.935 4.320 -0.000 0.000 0.250 397 A C 1.913 179.519 177.584 0.036 0.000 2.132 397 A CA 2.773 54.831 52.037 0.034 0.000 0.861 397 A CB -1.468 17.554 19.000 0.037 0.000 0.830 397 A HN 0.516 nan 8.150 nan 0.000 0.499 398 D N -0.864 119.562 120.400 0.042 0.000 2.156 398 D HA -0.185 4.455 4.640 -0.000 0.000 0.190 398 D C 2.594 178.918 176.300 0.040 0.000 0.998 398 D CA 2.671 56.697 54.000 0.043 0.000 0.842 398 D CB -0.715 40.117 40.800 0.054 0.000 0.974 398 D HN 0.666 nan 8.370 nan 0.000 0.447 399 S N -0.702 115.026 115.700 0.046 0.000 2.359 399 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 399 S C 1.881 176.505 174.600 0.040 0.000 1.035 399 S CA 2.140 60.368 58.200 0.046 0.000 1.018 399 S CB -0.537 62.695 63.200 0.053 0.000 0.876 399 S HN 0.557 nan 8.310 nan 0.000 0.448 400 G N 0.934 109.758 108.800 0.039 0.000 2.132 400 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.234 400 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.234 400 G C -0.051 174.874 174.900 0.041 0.000 0.989 400 G CA 0.186 45.307 45.100 0.036 0.000 0.676 400 G HN 0.682 nan 8.290 nan 0.000 0.522 401 I N 0.140 120.739 120.570 0.049 0.000 2.418 401 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 401 I C 0.503 176.667 176.117 0.079 0.000 1.008 401 I CA -1.119 60.218 61.300 0.061 0.000 1.104 401 I CB 1.767 39.803 38.000 0.060 0.000 1.264 401 I HN 0.178 nan 8.210 nan 0.000 0.438 402 R N 5.735 126.307 120.500 0.119 0.000 2.347 402 R HA 0.376 4.716 4.340 -0.000 0.000 0.304 402 R C -1.066 175.358 176.300 0.206 0.000 1.072 402 R CA -0.547 55.628 56.100 0.124 0.000 0.980 402 R CB 0.643 31.005 30.300 0.104 0.000 0.986 402 R HN 0.407 nan 8.270 nan 0.000 0.448 403 L N 4.892 126.161 121.223 0.076 0.000 2.380 403 L HA 0.123 4.463 4.340 -0.000 0.000 0.273 403 L C 1.266 178.157 176.870 0.036 0.000 1.138 403 L CA 0.404 55.305 54.840 0.102 0.000 0.832 403 L CB 0.828 42.914 42.059 0.046 0.000 1.124 403 L HN 0.773 nan 8.230 nan 0.000 0.454 404 H N 1.579 120.648 119.070 -0.002 0.000 2.639 404 H HA 0.454 5.010 4.556 0.000 0.000 0.267 404 H C 0.103 175.426 175.328 -0.008 0.000 0.958 404 H CA 0.554 56.598 56.048 -0.007 0.000 1.221 404 H CB 1.344 31.102 29.762 -0.006 0.000 1.446 404 H HN 0.667 nan 8.280 nan 0.000 0.512 405 A N 0.807 123.679 122.820 0.087 0.000 2.587 405 A HA 0.510 4.830 4.320 -0.000 0.000 0.293 405 A C -1.517 176.090 177.584 0.039 0.000 1.087 405 A CA -0.600 51.462 52.037 0.042 0.000 0.692 405 A CB 1.748 20.776 19.000 0.046 0.000 1.291 405 A HN 0.118 nan 8.150 nan 0.000 0.407 406 L N 1.130 122.372 121.223 0.032 0.000 2.322 406 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 406 L C -0.366 176.538 176.870 0.058 0.000 1.014 406 L CA -0.854 54.013 54.840 0.045 0.000 0.815 406 L CB 1.617 43.700 42.059 0.038 0.000 1.247 406 L HN 0.855 nan 8.230 nan 0.000 0.421 407 R N 3.372 123.914 120.500 0.070 0.000 2.202 407 R HA 0.501 4.841 4.340 -0.000 0.000 0.334 407 R C -0.991 175.374 176.300 0.109 0.000 1.036 407 R CA -0.315 55.829 56.100 0.074 0.000 0.878 407 R CB 0.826 31.165 30.300 0.065 0.000 1.067 407 R HN 0.417 nan 8.270 nan 0.000 0.457 408 V N 0.556 120.529 119.914 0.099 0.000 3.074 408 V HA 0.916 5.036 4.120 -0.000 0.000 0.314 408 V C -1.066 175.101 176.094 0.122 0.000 1.117 408 V CA -0.821 61.562 62.300 0.139 0.000 1.014 408 V CB 2.382 34.214 31.823 0.016 0.000 1.057 408 V HN 0.924 nan 8.190 nan 0.000 0.438 409 D N -0.704 119.814 120.400 0.197 0.000 2.683 409 D HA 0.704 5.344 4.640 -0.000 0.000 0.246 409 D C -0.356 176.082 176.300 0.230 0.000 1.238 409 D CA 0.193 54.286 54.000 0.156 0.000 0.759 409 D CB 1.211 42.082 40.800 0.119 0.000 1.349 409 D HN 2.113 nan 8.370 nan 0.000 0.426 410 G N -0.996 107.901 108.800 0.162 0.000 2.885 410 G HA2 0.448 4.408 3.960 -0.000 0.000 0.685 410 G HA3 0.448 4.408 3.960 -0.000 0.000 0.685 410 G C 0.846 175.832 174.900 0.144 0.000 1.216 410 G CA 0.020 45.225 45.100 0.175 0.000 0.790 410 G HN 1.352 nan 8.290 nan 0.000 0.631 411 G N 1.352 110.222 108.800 0.116 0.000 2.830 411 G HA2 0.004 3.964 3.960 -0.000 0.000 0.230 411 G HA3 0.004 3.964 3.960 -0.000 0.000 0.230 411 G C 2.339 177.288 174.900 0.082 0.000 1.172 411 G CA 3.560 48.713 45.100 0.089 0.000 0.764 411 G HN 2.440 nan 8.290 nan 0.000 0.640 412 A N 0.093 122.983 122.820 0.115 0.000 1.969 412 A HA -0.178 4.142 4.320 -0.000 0.000 0.223 412 A C 2.787 180.364 177.584 -0.013 0.000 1.218 412 A CA 3.777 55.873 52.037 0.098 0.000 0.667 412 A CB -1.202 17.925 19.000 0.211 0.000 0.826 412 A HN 1.414 nan 8.150 nan 0.000 0.472 413 V N -2.812 117.060 119.914 -0.070 0.000 2.982 413 V HA -0.022 4.098 4.120 -0.000 0.000 0.265 413 V C 2.255 178.302 176.094 -0.078 0.000 1.122 413 V CA 1.943 64.124 62.300 -0.198 0.000 1.143 413 V CB -1.506 30.215 31.823 -0.169 0.000 0.726 413 V HN 0.670 nan 8.190 nan 0.000 0.507 414 A N 0.749 123.564 122.820 -0.010 0.000 2.066 414 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 414 A C 1.619 179.220 177.584 0.028 0.000 1.157 414 A CA 1.004 53.058 52.037 0.029 0.000 0.670 414 A CB -0.748 18.276 19.000 0.041 0.000 0.804 414 A HN 0.613 nan 8.150 nan 0.000 0.453 415 N N 1.500 120.199 118.700 -0.002 0.000 2.434 415 N HA -0.007 4.733 4.740 -0.000 0.000 0.273 415 N C 0.299 175.775 175.510 -0.058 0.000 1.210 415 N CA 0.015 53.073 53.050 0.012 0.000 0.992 415 N CB -0.227 38.288 38.487 0.046 0.000 1.355 415 N HN 0.432 nan 8.380 nan 0.000 0.495 416 N N 2.502 121.199 118.700 -0.004 0.000 2.060 416 N HA -0.250 4.490 4.740 -0.000 0.000 0.195 416 N C 1.433 176.825 175.510 -0.198 0.000 1.028 416 N CA 1.231 54.245 53.050 -0.059 0.000 0.861 416 N CB -0.390 38.188 38.487 0.151 0.000 1.029 416 N HN 0.521 nan 8.380 nan 0.000 0.428 417 F N 2.686 122.552 119.950 -0.140 0.000 2.015 417 F HA -0.229 4.298 4.527 0.000 0.000 0.297 417 F C 2.468 178.180 175.800 -0.147 0.000 1.141 417 F CA 1.345 59.272 58.000 -0.122 0.000 1.192 417 F CB -0.846 38.100 39.000 -0.090 0.000 0.957 417 F HN -0.030 nan 8.300 nan 0.000 0.491 418 L N -0.109 120.953 121.223 -0.268 0.000 2.034 418 L HA -0.331 4.009 4.340 -0.000 0.000 0.217 418 L C 2.419 179.028 176.870 -0.435 0.000 1.077 418 L CA 2.005 56.666 54.840 -0.300 0.000 0.769 418 L CB -0.468 41.570 42.059 -0.036 0.000 0.890 418 L HN 0.353 nan 8.230 nan 0.000 0.435 419 M N -1.084 118.168 119.600 -0.579 0.000 2.067 419 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 419 M C 2.203 177.992 176.300 -0.853 0.000 1.069 419 M CA 1.567 56.357 55.300 -0.850 0.000 1.117 419 M CB -1.454 30.338 32.600 -1.347 0.000 1.334 419 M HN 0.289 nan 8.290 nan 0.000 0.407 420 Q N 0.231 119.501 119.800 -0.884 0.000 1.956 420 Q HA -0.197 4.142 4.340 -0.000 0.000 0.208 420 Q C 2.025 177.798 176.000 -0.378 0.000 0.998 420 Q CA 1.884 57.401 55.803 -0.477 0.000 0.855 420 Q CB -1.142 27.446 28.738 -0.251 0.000 0.928 420 Q HN 0.415 nan 8.270 nan 0.000 0.418 421 F N 1.390 120.949 119.950 -0.652 0.000 2.039 421 F HA -0.379 4.148 4.527 0.000 0.000 0.296 421 F C 2.464 178.007 175.800 -0.429 0.000 1.119 421 F CA 2.631 60.283 58.000 -0.579 0.000 1.211 421 F CB -0.880 37.622 39.000 -0.830 0.000 0.956 421 F HN 0.247 nan 8.300 nan 0.000 0.496 422 Q N 0.447 120.000 119.800 -0.411 0.000 2.103 422 Q HA -0.282 4.058 4.340 -0.000 0.000 0.213 422 Q C 2.525 178.290 176.000 -0.393 0.000 1.008 422 Q CA 2.756 58.323 55.803 -0.393 0.000 0.879 422 Q CB -1.163 27.426 28.738 -0.248 0.000 0.946 422 Q HN 0.534 nan 8.270 nan 0.000 0.413 423 S N -0.466 115.045 115.700 -0.315 0.000 2.351 423 S HA -0.201 4.269 4.470 -0.000 0.000 0.220 423 S C 1.455 175.897 174.600 -0.263 0.000 1.035 423 S CA 1.611 59.682 58.200 -0.214 0.000 1.031 423 S CB -0.645 62.501 63.200 -0.090 0.000 0.928 423 S HN 0.526 nan 8.310 nan 0.000 0.433 424 D N 1.191 121.405 120.400 -0.309 0.000 2.127 424 D HA -0.125 4.515 4.640 -0.000 0.000 0.190 424 D C 1.870 177.936 176.300 -0.391 0.000 1.000 424 D CA 1.314 55.130 54.000 -0.307 0.000 0.839 424 D CB -0.739 39.887 40.800 -0.290 0.000 0.955 424 D HN 0.406 nan 8.370 nan 0.000 0.446 425 I N 0.552 120.729 120.570 -0.655 0.000 2.208 425 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 425 I C 1.995 177.828 176.117 -0.472 0.000 1.097 425 I CA 0.925 61.798 61.300 -0.712 0.000 1.363 425 I CB -0.381 36.859 38.000 -1.266 0.000 1.051 425 I HN -0.043 nan 8.210 nan 0.000 0.413 426 L N 0.794 121.776 121.223 -0.402 0.000 2.072 426 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 426 L C 1.686 178.416 176.870 -0.233 0.000 1.079 426 L CA 1.570 56.234 54.840 -0.294 0.000 0.752 426 L CB -1.940 39.985 42.059 -0.223 0.000 0.906 426 L HN 0.511 nan 8.230 nan 0.000 0.436 427 G N 0.394 109.065 108.800 -0.214 0.000 2.248 427 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.263 427 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.263 427 G C 0.080 174.895 174.900 -0.141 0.000 1.082 427 G CA 0.461 45.467 45.100 -0.158 0.000 0.863 427 G HN 0.376 nan 8.290 nan 0.000 0.495 428 T N -0.785 113.688 114.554 -0.135 0.000 2.982 428 T HA 0.540 4.890 4.350 -0.000 0.000 0.321 428 T C 0.276 174.934 174.700 -0.069 0.000 1.229 428 T CA -0.961 61.072 62.100 -0.112 0.000 1.044 428 T CB 1.573 70.368 68.868 -0.122 0.000 1.184 428 T HN 0.529 nan 8.240 nan 0.000 0.477 429 R N 0.748 121.225 120.500 -0.039 0.000 2.738 429 R HA 0.558 4.898 4.340 -0.000 0.000 0.268 429 R C -0.677 175.632 176.300 0.014 0.000 1.062 429 R CA -0.353 55.746 56.100 -0.001 0.000 1.158 429 R CB 0.428 30.730 30.300 0.005 0.000 1.046 429 R HN 0.322 nan 8.270 nan 0.000 0.493 430 V N 2.566 122.518 119.914 0.063 0.000 2.525 430 V HA 0.162 4.282 4.120 -0.000 0.000 0.299 430 V C -0.682 175.484 176.094 0.120 0.000 1.034 430 V CA -0.731 61.618 62.300 0.083 0.000 0.863 430 V CB 1.698 33.561 31.823 0.066 0.000 0.999 430 V HN 0.805 nan 8.190 nan 0.000 0.423 431 E N 4.933 125.175 120.200 0.070 0.000 2.113 431 E HA 0.532 4.882 4.350 -0.000 0.000 0.273 431 E C -0.445 176.189 176.600 0.056 0.000 0.924 431 E CA -0.871 55.557 56.400 0.046 0.000 0.764 431 E CB 2.054 31.765 29.700 0.018 0.000 1.104 431 E HN 0.609 nan 8.360 nan 0.000 0.406 432 R N 4.335 124.874 120.500 0.065 0.000 2.229 432 R HA 0.328 4.668 4.340 -0.000 0.000 0.332 432 R C -2.482 173.836 176.300 0.029 0.000 0.989 432 R CA -1.796 54.346 56.100 0.071 0.000 0.842 432 R CB 0.937 31.331 30.300 0.157 0.000 1.119 432 R HN 0.306 nan 8.270 nan 0.000 0.456 433 P HA 0.037 nan 4.420 nan 0.000 0.276 433 P C -0.093 177.219 177.300 0.020 0.000 1.261 433 P CA -0.283 62.829 63.100 0.020 0.000 0.800 433 P CB 0.861 32.576 31.700 0.025 0.000 1.066 434 E N -0.539 119.671 120.200 0.015 0.000 2.038 434 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 434 E C -0.051 176.563 176.600 0.023 0.000 1.000 434 E CA 1.417 57.827 56.400 0.016 0.000 0.803 434 E CB 0.010 29.719 29.700 0.015 0.000 0.750 434 E HN 0.185 nan 8.360 nan 0.000 0.448 435 V N 1.455 121.383 119.914 0.024 0.000 2.680 435 V HA 0.225 4.345 4.120 -0.000 0.000 0.309 435 V C 0.586 176.697 176.094 0.028 0.000 1.052 435 V CA -0.734 61.582 62.300 0.025 0.000 0.908 435 V CB 1.810 33.646 31.823 0.021 0.000 1.001 435 V HN 0.167 nan 8.190 nan 0.000 0.431 436 R N 1.705 122.226 120.500 0.034 0.000 2.317 436 R HA 0.153 4.493 4.340 -0.000 0.000 0.208 436 R C 0.602 176.926 176.300 0.040 0.000 0.914 436 R CA 0.001 56.129 56.100 0.046 0.000 1.060 436 R CB -0.132 30.205 30.300 0.061 0.000 1.015 436 R HN 0.644 nan 8.270 nan 0.000 0.498 437 E N 1.681 121.893 120.200 0.020 0.000 2.533 437 E HA -0.074 4.276 4.350 -0.000 0.000 0.201 437 E C 1.817 178.399 176.600 -0.030 0.000 1.097 437 E CA 0.425 56.826 56.400 0.002 0.000 0.887 437 E CB -0.392 29.303 29.700 -0.008 0.000 0.855 437 E HN 0.256 nan 8.360 nan 0.000 0.540 438 V N -2.249 117.652 119.914 -0.022 0.000 2.311 438 V HA -0.412 3.708 4.120 -0.000 0.000 0.256 438 V C 2.029 178.088 176.094 -0.059 0.000 1.077 438 V CA 2.413 64.682 62.300 -0.052 0.000 1.067 438 V CB -1.504 30.320 31.823 0.001 0.000 0.659 438 V HN 0.217 nan 8.190 nan 0.000 0.451 439 T N 0.810 115.361 114.554 -0.006 0.000 2.565 439 T HA -0.280 4.070 4.350 -0.000 0.000 0.265 439 T C 2.132 176.813 174.700 -0.032 0.000 1.082 439 T CA 3.194 65.296 62.100 0.003 0.000 1.173 439 T CB -0.861 68.026 68.868 0.031 0.000 0.864 439 T HN 0.957 nan 8.240 nan 0.000 0.425 440 A N 0.724 123.522 122.820 -0.037 0.000 1.908 440 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 440 A C 2.308 179.817 177.584 -0.125 0.000 1.181 440 A CA 1.625 53.634 52.037 -0.045 0.000 0.627 440 A CB -0.965 18.021 19.000 -0.023 0.000 0.818 440 A HN 0.514 nan 8.150 nan 0.000 0.445 441 L N -0.538 120.543 121.223 -0.237 0.000 1.963 441 L HA -0.234 4.106 4.340 -0.000 0.000 0.220 441 L C 2.889 179.345 176.870 -0.690 0.000 1.076 441 L CA 1.698 56.179 54.840 -0.597 0.000 0.772 441 L CB -1.354 40.295 42.059 -0.683 0.000 0.892 441 L HN 0.480 nan 8.230 nan 0.000 0.435 442 G N -0.467 108.105 108.800 -0.380 0.000 2.766 442 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.222 442 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.222 442 G C 1.663 176.625 174.900 0.104 0.000 1.225 442 G CA 1.700 46.808 45.100 0.015 0.000 0.784 442 G HN 0.566 nan 8.290 nan 0.000 0.631 443 A N 0.980 123.824 122.820 0.040 0.000 1.917 443 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 443 A C 2.869 180.539 177.584 0.143 0.000 1.182 443 A CA 2.852 54.935 52.037 0.077 0.000 0.633 443 A CB -1.063 17.963 19.000 0.043 0.000 0.819 443 A HN 1.279 nan 8.150 nan 0.000 0.448 444 A N -0.556 122.326 122.820 0.103 0.000 1.849 444 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 444 A C 1.938 179.834 177.584 0.520 0.000 1.225 444 A CA 1.914 54.098 52.037 0.246 0.000 0.653 444 A CB -1.317 17.766 19.000 0.139 0.000 0.844 444 A HN 0.564 nan 8.150 nan 0.000 0.453 445 Y N -0.766 119.639 120.300 0.176 0.000 1.931 445 Y HA -0.311 4.239 4.550 0.000 0.000 0.240 445 Y C 2.351 178.479 175.900 0.379 0.000 1.189 445 Y CA 1.478 59.655 58.100 0.128 0.000 1.059 445 Y CB -1.820 36.699 38.460 0.099 0.000 0.880 445 Y HN 0.263 nan 8.280 nan 0.000 0.507 446 L N -0.419 121.123 121.223 0.531 0.000 1.981 446 L HA -0.345 3.995 4.340 -0.000 0.000 0.237 446 L C 2.666 179.714 176.870 0.297 0.000 1.095 446 L CA 2.718 57.743 54.840 0.308 0.000 0.820 446 L CB -1.451 40.683 42.059 0.125 0.000 0.914 446 L HN 0.306 nan 8.230 nan 0.000 0.442 447 A N -0.963 122.014 122.820 0.262 0.000 1.948 447 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 447 A C 2.317 180.047 177.584 0.242 0.000 1.177 447 A CA 2.113 54.283 52.037 0.221 0.000 0.636 447 A CB -1.612 17.496 19.000 0.180 0.000 0.815 447 A HN 0.615 nan 8.150 nan 0.000 0.449 448 G N -0.242 108.792 108.800 0.389 0.000 2.459 448 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 448 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 448 G C 1.369 176.539 174.900 0.450 0.000 1.183 448 G CA 1.192 46.528 45.100 0.395 0.000 0.776 448 G HN 0.334 nan 8.290 nan 0.000 0.552 449 L N 1.680 123.238 121.223 0.558 0.000 1.997 449 L HA -0.106 4.234 4.340 -0.000 0.000 0.216 449 L C 3.305 180.317 176.870 0.236 0.000 1.074 449 L CA 1.807 56.880 54.840 0.389 0.000 0.763 449 L CB -1.351 40.904 42.059 0.327 0.000 0.890 449 L HN 0.328 nan 8.230 nan 0.000 0.434 450 A N -1.916 121.018 122.820 0.190 0.000 2.194 450 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 450 A C 1.829 179.456 177.584 0.071 0.000 1.162 450 A CA 1.541 53.634 52.037 0.093 0.000 0.674 450 A CB -0.336 18.687 19.000 0.038 0.000 0.789 450 A HN 0.290 nan 8.150 nan 0.000 0.470 451 V N -2.231 117.751 119.914 0.113 0.000 3.261 451 V HA 0.383 4.503 4.120 -0.000 0.000 0.330 451 V C 1.519 177.677 176.094 0.106 0.000 1.461 451 V CA 0.504 62.855 62.300 0.085 0.000 1.127 451 V CB -0.234 31.631 31.823 0.070 0.000 1.044 451 V HN 0.947 nan 8.190 nan 0.000 0.499 452 G N 0.839 109.718 108.800 0.132 0.000 2.328 452 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.256 452 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.256 452 G C 0.914 175.886 174.900 0.119 0.000 1.014 452 G CA 0.934 46.103 45.100 0.115 0.000 0.620 452 G HN 0.468 nan 8.290 nan 0.000 0.530 453 F N 0.649 120.554 119.950 -0.075 0.000 2.065 453 F HA -0.132 4.395 4.527 -0.000 0.000 0.290 453 F C 1.373 177.052 175.800 -0.202 0.000 1.079 453 F CA 2.575 60.419 58.000 -0.261 0.000 1.261 453 F CB -0.018 38.647 39.000 -0.558 0.000 0.968 453 F HN 0.405 nan 8.300 nan 0.000 0.496 454 W N -0.733 120.717 121.300 0.249 0.000 2.736 454 W HA 0.297 4.957 4.660 -0.000 0.000 0.355 454 W C 0.819 177.385 176.519 0.079 0.000 1.102 454 W CA -0.624 56.773 57.345 0.086 0.000 1.164 454 W CB 0.799 30.246 29.460 -0.021 0.000 1.422 454 W HN -0.172 nan 8.180 nan 0.000 0.572 455 Q N 0.781 120.754 119.800 0.288 0.000 2.396 455 Q HA 0.023 4.363 4.340 -0.000 0.000 0.220 455 Q C -0.047 176.029 176.000 0.125 0.000 0.900 455 Q CA 0.774 56.675 55.803 0.164 0.000 0.925 455 Q CB 0.405 29.207 28.738 0.107 0.000 1.065 455 Q HN 0.672 nan 8.270 nan 0.000 0.535 456 N N -2.141 116.614 118.700 0.092 0.000 4.455 456 N HA 0.012 4.752 4.740 -0.000 0.000 0.204 456 N C 0.038 175.460 175.510 -0.147 0.000 1.182 456 N CA -0.403 52.646 53.050 -0.002 0.000 0.916 456 N CB -0.017 38.472 38.487 0.004 0.000 1.543 456 N HN -0.097 nan 8.380 nan 0.000 0.536 457 L N -0.738 120.341 121.223 -0.240 0.000 2.283 457 L HA -0.245 4.095 4.340 -0.000 0.000 0.217 457 L C 1.064 177.771 176.870 -0.272 0.000 1.104 457 L CA 1.638 56.248 54.840 -0.384 0.000 0.772 457 L CB -0.666 41.162 42.059 -0.384 0.000 0.899 457 L HN 0.611 nan 8.230 nan 0.000 0.439 458 D N 0.759 121.061 120.400 -0.163 0.000 2.137 458 D HA -0.228 4.412 4.640 -0.000 0.000 0.189 458 D C 2.052 178.281 176.300 -0.119 0.000 0.998 458 D CA 1.859 55.792 54.000 -0.111 0.000 0.839 458 D CB -0.225 40.539 40.800 -0.060 0.000 0.962 458 D HN 0.503 nan 8.370 nan 0.000 0.446 459 E N 0.121 120.257 120.200 -0.107 0.000 2.136 459 E HA -0.207 4.142 4.350 -0.000 0.000 0.202 459 E C 1.626 178.142 176.600 -0.140 0.000 1.019 459 E CA 1.000 57.350 56.400 -0.084 0.000 0.819 459 E CB -0.500 29.185 29.700 -0.025 0.000 0.739 459 E HN 0.438 nan 8.360 nan 0.000 0.458 460 L N -0.882 120.184 121.223 -0.263 0.000 2.984 460 L HA 0.362 4.702 4.340 -0.000 0.000 0.246 460 L C 1.706 178.447 176.870 -0.216 0.000 1.268 460 L CA -0.377 54.297 54.840 -0.276 0.000 1.054 460 L CB 0.359 42.128 42.059 -0.484 0.000 1.393 460 L HN -0.143 nan 8.230 nan 0.000 0.532 461 Q N 1.750 121.452 119.800 -0.163 0.000 2.224 461 Q HA -0.153 4.187 4.340 -0.000 0.000 0.203 461 Q C 1.389 177.342 176.000 -0.079 0.000 0.970 461 Q CA 1.715 57.445 55.803 -0.120 0.000 0.865 461 Q CB 0.085 28.766 28.738 -0.095 0.000 0.922 461 Q HN 0.692 nan 8.270 nan 0.000 0.445 462 E N -1.050 119.109 120.200 -0.068 0.000 2.463 462 E HA 0.056 4.406 4.350 -0.000 0.000 0.193 462 E C 1.135 177.718 176.600 -0.028 0.000 1.041 462 E CA -0.147 56.228 56.400 -0.041 0.000 0.879 462 E CB 0.342 30.024 29.700 -0.029 0.000 0.997 462 E HN 0.103 nan 8.360 nan 0.000 0.478 463 K N 0.880 121.258 120.400 -0.037 0.000 2.217 463 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 463 K C 0.700 177.304 176.600 0.007 0.000 1.051 463 K CA 0.298 56.581 56.287 -0.006 0.000 0.952 463 K CB 0.041 32.543 32.500 0.003 0.000 0.736 463 K HN 0.077 nan 8.250 nan 0.000 0.453 464 A N 2.186 125.004 122.820 -0.003 0.000 2.473 464 A HA 0.191 4.511 4.320 -0.000 0.000 0.282 464 A C -0.132 177.451 177.584 -0.001 0.000 1.163 464 A CA 0.079 52.117 52.037 0.001 0.000 0.827 464 A CB -0.000 18.996 19.000 -0.007 0.000 1.098 464 A HN -0.038 nan 8.150 nan 0.000 0.515 465 V N 5.322 125.238 119.914 0.004 0.000 2.384 465 V HA 0.194 4.314 4.120 -0.000 0.000 0.287 465 V C -0.079 176.013 176.094 -0.004 0.000 1.020 465 V CA -0.660 61.639 62.300 -0.001 0.000 0.850 465 V CB 1.507 33.332 31.823 0.002 0.000 0.987 465 V HN 0.697 nan 8.190 nan 0.000 0.436 466 I N 4.931 125.493 120.570 -0.013 0.000 2.311 466 I HA 0.128 4.298 4.170 -0.000 0.000 0.297 466 I C 1.642 177.737 176.117 -0.037 0.000 1.131 466 I CA 0.449 61.736 61.300 -0.022 0.000 1.289 466 I CB 0.367 38.348 38.000 -0.030 0.000 1.446 466 I HN 0.785 nan 8.210 nan 0.000 0.524 467 E N 6.766 126.949 120.200 -0.029 0.000 2.077 467 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 467 E C 0.624 177.169 176.600 -0.092 0.000 0.989 467 E CA 1.142 57.518 56.400 -0.040 0.000 0.800 467 E CB 0.515 30.207 29.700 -0.013 0.000 0.746 467 E HN 0.614 nan 8.360 nan 0.000 0.452 468 R N -0.694 119.730 120.500 -0.128 0.000 2.680 468 R HA 0.236 4.576 4.340 -0.000 0.000 0.269 468 R C -1.563 174.525 176.300 -0.353 0.000 1.026 468 R CA -0.559 55.362 56.100 -0.297 0.000 0.889 468 R CB 1.438 31.459 30.300 -0.465 0.000 1.241 468 R HN 0.022 nan 8.270 nan 0.000 0.463 469 E N 3.177 123.081 120.200 -0.494 0.000 2.248 469 E HA 0.396 4.746 4.350 -0.000 0.000 0.267 469 E C -1.663 174.648 176.600 -0.482 0.000 0.877 469 E CA -0.625 55.569 56.400 -0.342 0.000 0.759 469 E CB 1.194 30.795 29.700 -0.164 0.000 1.182 469 E HN 0.337 nan 8.360 nan 0.000 0.418 470 F N 2.860 122.774 119.950 -0.061 0.000 2.493 470 F HA 0.485 5.012 4.527 -0.000 0.000 0.329 470 F C 0.075 175.830 175.800 -0.074 0.000 1.126 470 F CA -0.898 57.059 58.000 -0.070 0.000 0.937 470 F CB 1.635 40.580 39.000 -0.092 0.000 1.146 470 F HN 0.297 nan 8.300 nan 0.000 0.442 471 R N 2.510 123.060 120.500 0.083 0.000 2.514 471 R HA 0.575 4.914 4.340 -0.000 0.000 0.301 471 R C -2.980 173.325 176.300 0.008 0.000 0.962 471 R CA -2.136 53.978 56.100 0.022 0.000 0.882 471 R CB 0.984 31.282 30.300 -0.004 0.000 1.143 471 R HN 0.218 nan 8.270 nan 0.000 0.452 472 P HA -0.035 nan 4.420 nan 0.000 0.269 472 P C 0.317 177.595 177.300 -0.036 0.000 1.211 472 P CA 0.180 63.244 63.100 -0.061 0.000 0.781 472 P CB 0.472 32.119 31.700 -0.087 0.000 0.877 473 G N 0.147 108.923 108.800 -0.040 0.000 4.000 473 G HA2 0.255 4.215 3.960 -0.000 0.000 0.260 473 G HA3 0.255 4.215 3.960 -0.000 0.000 0.260 473 G C -0.380 174.513 174.900 -0.011 0.000 1.047 473 G CA 0.230 45.321 45.100 -0.015 0.000 0.860 473 G HN 0.295 nan 8.290 nan 0.000 0.464 474 I N 1.126 121.678 120.570 -0.030 0.000 2.603 474 I HA 0.558 4.728 4.170 -0.000 0.000 0.300 474 I C -0.940 175.164 176.117 -0.020 0.000 1.017 474 I CA -2.183 59.106 61.300 -0.018 0.000 1.098 474 I CB 1.994 39.972 38.000 -0.037 0.000 1.279 474 I HN -0.040 nan 8.210 nan 0.000 0.437 475 E N 2.882 123.084 120.200 0.004 0.000 2.166 475 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 475 E C 0.869 177.477 176.600 0.013 0.000 0.941 475 E CA -0.307 56.094 56.400 0.002 0.000 0.784 475 E CB 0.987 30.691 29.700 0.007 0.000 1.115 475 E HN 0.746 nan 8.360 nan 0.000 0.399 476 T N 0.651 115.205 114.554 -0.001 0.000 1.824 476 T HA -0.460 3.890 4.350 -0.000 0.000 0.134 476 T C 1.852 176.579 174.700 0.044 0.000 1.870 476 T CA 2.839 64.944 62.100 0.009 0.000 0.887 476 T CB -2.255 66.616 68.868 0.004 0.000 0.796 476 T HN 0.835 nan 8.240 nan 0.000 0.404 477 T N 1.089 115.667 114.554 0.040 0.000 2.261 477 T HA -0.462 3.888 4.350 -0.000 0.000 0.203 477 T C 1.486 176.250 174.700 0.108 0.000 1.596 477 T CA 2.840 64.968 62.100 0.047 0.000 1.039 477 T CB -1.391 67.485 68.868 0.013 0.000 0.818 477 T HN 0.765 nan 8.240 nan 0.000 0.433 478 E N 1.146 121.411 120.200 0.108 0.000 2.019 478 E HA -0.315 4.035 4.350 -0.000 0.000 0.208 478 E C 2.543 179.272 176.600 0.216 0.000 1.030 478 E CA 1.786 58.300 56.400 0.190 0.000 0.856 478 E CB -0.290 29.492 29.700 0.137 0.000 0.781 478 E HN 0.605 nan 8.360 nan 0.000 0.471 479 R N 0.392 120.958 120.500 0.110 0.000 2.196 479 R HA -0.296 4.044 4.340 -0.000 0.000 0.244 479 R C 1.953 178.343 176.300 0.150 0.000 1.121 479 R CA 2.802 58.940 56.100 0.063 0.000 0.930 479 R CB -0.681 29.599 30.300 -0.033 0.000 0.890 479 R HN 0.277 nan 8.270 nan 0.000 0.435 480 N N -1.103 117.686 118.700 0.148 0.000 2.348 480 N HA -0.206 4.534 4.740 -0.000 0.000 0.185 480 N C 1.399 177.108 175.510 0.333 0.000 1.019 480 N CA 1.263 54.439 53.050 0.209 0.000 0.880 480 N CB -0.271 38.306 38.487 0.149 0.000 0.965 480 N HN 0.302 nan 8.380 nan 0.000 0.437 481 Y N 2.332 122.733 120.300 0.169 0.000 2.092 481 Y HA -0.059 4.491 4.550 -0.000 0.000 0.282 481 Y C 2.068 178.130 175.900 0.270 0.000 1.126 481 Y CA 1.302 59.511 58.100 0.182 0.000 1.111 481 Y CB -0.292 38.255 38.460 0.146 0.000 0.987 481 Y HN -0.066 nan 8.280 nan 0.000 0.489 482 R N -1.042 119.634 120.500 0.293 0.000 2.096 482 R HA -0.296 4.044 4.340 -0.000 0.000 0.240 482 R C 2.134 178.757 176.300 0.538 0.000 1.139 482 R CA 1.902 58.212 56.100 0.350 0.000 0.952 482 R CB -1.784 28.805 30.300 0.482 0.000 0.854 482 R HN 0.419 nan 8.270 nan 0.000 0.436 483 Y N 1.933 122.492 120.300 0.432 0.000 2.132 483 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 483 Y C 2.608 178.678 175.900 0.284 0.000 1.193 483 Y CA 1.123 59.501 58.100 0.463 0.000 1.157 483 Y CB -0.833 37.820 38.460 0.322 0.000 0.966 483 Y HN 0.195 nan 8.280 nan 0.000 0.511 484 A N -0.286 122.663 122.820 0.214 0.000 1.869 484 A HA -0.260 4.059 4.320 -0.000 0.000 0.218 484 A C 2.650 180.110 177.584 -0.206 0.000 1.203 484 A CA 2.460 54.505 52.037 0.012 0.000 0.638 484 A CB -1.672 17.384 19.000 0.093 0.000 0.831 484 A HN 0.562 nan 8.150 nan 0.000 0.450 485 G N -1.451 107.192 108.800 -0.262 0.000 2.433 485 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 485 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 485 G C 1.512 175.706 174.900 -1.176 0.000 1.186 485 G CA 1.054 45.739 45.100 -0.691 0.000 0.779 485 G HN 0.772 nan 8.290 nan 0.000 0.543 486 W N 1.617 122.166 121.300 -1.252 0.000 2.277 486 W HA -0.272 4.388 4.660 -0.000 0.000 0.327 486 W C 2.231 178.297 176.519 -0.755 0.000 1.284 486 W CA 2.169 58.897 57.345 -1.028 0.000 1.277 486 W CB -0.247 28.704 29.460 -0.848 0.000 1.141 486 W HN 0.202 nan 8.180 nan 0.000 0.482 487 K N 0.691 120.571 120.400 -0.867 0.000 2.002 487 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 487 K C 2.332 178.487 176.600 -0.741 0.000 1.048 487 K CA 2.243 58.021 56.287 -0.849 0.000 0.930 487 K CB -0.825 31.356 32.500 -0.531 0.000 0.714 487 K HN -0.013 nan 8.250 nan 0.000 0.438 488 K N 0.026 120.053 120.400 -0.621 0.000 2.032 488 K HA -0.292 4.028 4.320 -0.000 0.000 0.218 488 K C 1.947 178.117 176.600 -0.718 0.000 1.054 488 K CA 1.933 57.890 56.287 -0.551 0.000 0.941 488 K CB -0.392 31.823 32.500 -0.475 0.000 0.720 488 K HN 0.215 nan 8.250 nan 0.000 0.449 489 A N 0.755 122.988 122.820 -0.978 0.000 1.849 489 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 489 A C 2.314 179.233 177.584 -1.109 0.000 1.202 489 A CA 2.265 53.527 52.037 -1.292 0.000 0.629 489 A CB -1.072 17.239 19.000 -1.149 0.000 0.834 489 A HN 0.228 nan 8.150 nan 0.000 0.447 490 V N 1.027 120.295 119.914 -1.076 0.000 2.313 490 V HA -0.371 3.749 4.120 -0.000 0.000 0.253 490 V C 2.527 178.251 176.094 -0.618 0.000 1.070 490 V CA 2.539 64.256 62.300 -0.972 0.000 1.057 490 V CB -0.785 30.306 31.823 -1.221 0.000 0.653 490 V HN 0.602 nan 8.190 nan 0.000 0.450 491 K N -0.124 119.971 120.400 -0.508 0.000 2.148 491 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 491 K C 2.220 178.698 176.600 -0.203 0.000 1.050 491 K CA 1.123 57.236 56.287 -0.290 0.000 0.942 491 K CB -0.324 32.036 32.500 -0.233 0.000 0.724 491 K HN 0.356 nan 8.250 nan 0.000 0.446 492 R N 0.856 121.182 120.500 -0.289 0.000 2.148 492 R HA -0.020 4.320 4.340 -0.000 0.000 0.227 492 R C 2.205 178.588 176.300 0.138 0.000 1.103 492 R CA 1.129 57.182 56.100 -0.079 0.000 0.983 492 R CB -0.253 29.915 30.300 -0.219 0.000 0.874 492 R HN 0.262 nan 8.270 nan 0.000 0.451 493 A N 0.641 123.481 122.820 0.033 0.000 2.016 493 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 493 A C 0.924 178.546 177.584 0.063 0.000 1.162 493 A CA 0.343 52.413 52.037 0.054 0.000 0.662 493 A CB -0.182 18.774 19.000 -0.074 0.000 0.812 493 A HN 0.154 nan 8.150 nan 0.000 0.450 494 M N -2.158 117.454 119.600 0.020 0.000 2.198 494 M HA 0.470 4.950 4.480 -0.000 0.000 0.315 494 M C 0.890 177.292 176.300 0.169 0.000 1.134 494 M CA 0.364 55.713 55.300 0.081 0.000 1.171 494 M CB -0.183 32.446 32.600 0.049 0.000 1.413 494 M HN 0.725 nan 8.290 nan 0.000 0.467 495 A N 0.693 123.646 122.820 0.221 0.000 2.745 495 A HA -0.155 4.165 4.320 -0.000 0.000 0.296 495 A C 0.759 178.448 177.584 0.175 0.000 1.500 495 A CA 1.274 53.432 52.037 0.203 0.000 0.766 495 A CB -2.220 16.842 19.000 0.103 0.000 1.030 495 A HN 1.121 nan 8.150 nan 0.000 0.489 496 W N 0.094 121.445 121.300 0.086 0.000 2.501 496 W HA 0.123 4.783 4.660 -0.000 0.000 0.309 496 W C 0.759 177.313 176.519 0.058 0.000 1.165 496 W CA 1.243 58.613 57.345 0.041 0.000 1.381 496 W CB -0.361 29.103 29.460 0.006 0.000 1.142 496 W HN 0.655 nan 8.180 nan 0.000 0.509 497 E N 2.299 122.639 120.200 0.233 0.000 2.415 497 E HA -0.095 4.255 4.350 -0.000 0.000 0.262 497 E C -0.184 176.418 176.600 0.003 0.000 1.038 497 E CA 0.248 56.719 56.400 0.119 0.000 0.921 497 E CB 0.579 30.491 29.700 0.355 0.000 0.950 497 E HN 0.007 nan 8.360 nan 0.000 0.438 498 E N 2.851 123.016 120.200 -0.059 0.000 2.331 498 E HA 0.059 4.409 4.350 -0.000 0.000 0.272 498 E C -0.295 176.370 176.600 0.108 0.000 1.036 498 E CA -0.206 56.158 56.400 -0.060 0.000 0.864 498 E CB 0.497 30.127 29.700 -0.118 0.000 1.035 498 E HN 0.620 nan 8.360 nan 0.000 0.408 499 H N 0.000 118.990 119.070 -0.134 0.000 2.539 499 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 499 H CA 0.000 56.023 56.048 -0.043 0.000 1.023 499 H CB 0.000 29.699 29.762 -0.105 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496