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 1bjq_1_D DATA FIRST_RESID 1 DATA SEQUENCE ANIQSFSFKN FNSPSFILQG DATVSSGKLQ LTKVKENGIP TPSSLGRAFY DATA SEQUENCE SSPIQIYDKS TGAVASWATS FTVKISAPXX ASFADGIAFA LVPVGSEPRR DATA SEQUENCE NGGYLGVFDS DVYNNSAQTV AVEFDTLSNS GWDPSMKHIG IDVNSIKSIA DATA SEQUENCE TVSWDLANGE NAEILITYNA ATSLLVASLV HPSRRTSYIL SERVDITNEL DATA SEQUENCE PEYVSVGFSA TTGLSEGYIE THDVLSWSFA SKLPD 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.608 177.584 0.041 0.000 1.274 1 A CA 0.000 52.059 52.037 0.036 0.000 0.836 1 A CB 0.000 19.019 19.000 0.032 0.000 0.831 2 N N 0.508 119.239 118.700 0.050 0.000 2.399 2 N HA 0.739 5.483 4.740 0.007 0.000 0.295 2 N C -1.193 174.357 175.510 0.067 0.000 1.048 2 N CA -0.443 52.642 53.050 0.059 0.000 0.886 2 N CB 1.650 40.177 38.487 0.066 0.000 1.185 2 N HN 0.559 nan 8.380 nan 0.000 0.487 3 I N 1.627 122.237 120.570 0.067 0.000 2.647 3 I HA 0.286 4.460 4.170 0.007 0.000 0.295 3 I C -0.791 175.381 176.117 0.091 0.000 1.078 3 I CA -0.551 60.790 61.300 0.069 0.000 1.048 3 I CB 2.220 40.244 38.000 0.039 0.000 1.239 3 I HN 0.332 nan 8.210 nan 0.000 0.421 4 Q N 3.891 123.761 119.800 0.116 0.000 2.331 4 Q HA 0.691 5.035 4.340 0.007 0.000 0.272 4 Q C -1.294 174.785 176.000 0.131 0.000 1.062 4 Q CA -0.788 55.115 55.803 0.167 0.000 0.806 4 Q CB 2.990 31.881 28.738 0.255 0.000 1.312 4 Q HN 0.767 nan 8.270 nan 0.000 0.431 5 S N 1.186 116.945 115.700 0.099 0.000 2.567 5 S HA 0.855 5.329 4.470 0.007 0.000 0.270 5 S C -1.457 173.107 174.600 -0.060 0.000 1.152 5 S CA -0.742 57.415 58.200 -0.071 0.000 0.835 5 S CB 1.221 64.346 63.200 -0.125 0.000 1.115 5 S HN 0.608 nan 8.310 nan 0.000 0.459 6 F N -1.377 118.419 119.950 -0.256 0.000 2.713 6 F HA 0.895 5.426 4.527 0.006 0.000 0.311 6 F C -0.768 174.754 175.800 -0.465 0.000 1.141 6 F CA -0.525 57.205 58.000 -0.450 0.000 0.939 6 F CB 1.353 39.965 39.000 -0.648 0.000 1.325 6 F HN 0.895 nan 8.300 nan 0.000 0.453 7 S N 1.351 116.803 115.700 -0.413 0.000 2.652 7 S HA 0.713 5.187 4.470 0.007 0.000 0.273 7 S C -2.128 172.220 174.600 -0.420 0.000 1.172 7 S CA -0.402 57.626 58.200 -0.287 0.000 1.009 7 S CB 0.228 63.313 63.200 -0.190 0.000 1.094 7 S HN 0.600 nan 8.310 nan 0.000 0.471 8 F N 3.431 123.431 119.950 0.084 0.000 2.482 8 F HA 0.618 5.149 4.527 0.006 0.000 0.331 8 F C 0.928 176.655 175.800 -0.122 0.000 1.115 8 F CA -0.753 57.197 58.000 -0.083 0.000 0.955 8 F CB 2.154 40.982 39.000 -0.285 0.000 1.136 8 F HN 0.481 nan 8.300 nan 0.000 0.452 9 K N 0.969 121.411 120.400 0.071 0.000 2.373 9 K HA 0.183 4.507 4.320 0.007 0.000 0.200 9 K C -0.569 176.074 176.600 0.070 0.000 1.054 9 K CA -0.094 56.244 56.287 0.085 0.000 1.065 9 K CB 0.312 32.860 32.500 0.080 0.000 0.886 9 K HN 0.566 nan 8.250 nan 0.000 0.546 10 N N -0.543 118.155 118.700 -0.004 0.000 2.287 10 N HA 0.373 5.117 4.740 0.007 0.000 0.289 10 N C -1.611 173.862 175.510 -0.062 0.000 1.066 10 N CA -0.551 52.534 53.050 0.059 0.000 0.841 10 N CB 0.824 39.374 38.487 0.106 0.000 1.599 10 N HN -0.242 nan 8.380 nan 0.000 0.476 11 F N 1.329 121.370 119.950 0.151 0.000 2.458 11 F HA 0.575 5.106 4.527 0.006 0.000 0.330 11 F C 0.245 176.121 175.800 0.126 0.000 1.082 11 F CA -0.567 57.502 58.000 0.115 0.000 0.995 11 F CB 1.598 40.572 39.000 -0.044 0.000 1.170 11 F HN 0.297 nan 8.300 nan 0.000 0.478 12 N N -0.217 118.713 118.700 0.384 0.000 2.455 12 N HA 0.081 4.825 4.740 0.007 0.000 0.285 12 N C 0.206 175.904 175.510 0.313 0.000 1.080 12 N CA -0.145 53.058 53.050 0.255 0.000 0.932 12 N CB 2.151 40.733 38.487 0.159 0.000 1.610 12 N HN 0.562 nan 8.380 nan 0.000 0.493 13 S N 1.895 117.733 115.700 0.230 0.000 2.392 13 S HA -0.147 4.327 4.470 0.007 0.000 0.232 13 S C -0.980 173.694 174.600 0.125 0.000 1.041 13 S CA 1.244 59.572 58.200 0.213 0.000 1.026 13 S CB -1.195 62.072 63.200 0.113 0.000 0.845 13 S HN 0.465 nan 8.310 nan 0.000 0.465 14 P HA -0.088 nan 4.420 nan 0.000 0.216 14 P C 1.344 178.539 177.300 -0.174 0.000 1.154 14 P CA 1.816 64.886 63.100 -0.050 0.000 0.865 14 P CB -0.352 31.326 31.700 -0.038 0.000 0.789 15 S N -2.549 112.934 115.700 -0.362 0.000 2.593 15 S HA 0.134 4.608 4.470 0.007 0.000 0.217 15 S C 0.278 174.320 174.600 -0.930 0.000 0.966 15 S CA 0.187 57.982 58.200 -0.675 0.000 0.914 15 S CB -0.583 62.153 63.200 -0.773 0.000 0.776 15 S HN -0.006 nan 8.310 nan 0.000 0.523 16 F N 0.599 120.508 119.950 -0.068 0.000 2.561 16 F HA 0.576 5.107 4.527 0.006 0.000 0.321 16 F C -0.063 175.739 175.800 0.003 0.000 1.065 16 F CA -1.629 56.369 58.000 -0.004 0.000 0.934 16 F CB 0.943 39.974 39.000 0.051 0.000 1.215 16 F HN -0.129 nan 8.300 nan 0.000 0.471 17 I N 3.749 124.471 120.570 0.254 0.000 2.307 17 I HA 0.282 4.456 4.170 0.007 0.000 0.289 17 I C -0.894 175.338 176.117 0.193 0.000 1.021 17 I CA -0.235 61.171 61.300 0.176 0.000 1.224 17 I CB 0.600 38.708 38.000 0.180 0.000 1.376 17 I HN 0.286 nan 8.210 nan 0.000 0.470 18 L N 7.151 128.445 121.223 0.118 0.000 2.295 18 L HA 0.508 4.852 4.340 0.007 0.000 0.285 18 L C -0.271 176.630 176.870 0.052 0.000 1.035 18 L CA -0.537 54.340 54.840 0.062 0.000 0.806 18 L CB 1.137 43.216 42.059 0.032 0.000 1.214 18 L HN 0.564 nan 8.230 nan 0.000 0.426 19 Q N 1.243 121.065 119.800 0.037 0.000 2.413 19 Q HA 0.630 4.974 4.340 0.007 0.000 0.276 19 Q C 0.373 176.374 176.000 0.003 0.000 1.099 19 Q CA -0.269 55.556 55.803 0.036 0.000 0.814 19 Q CB 2.626 31.413 28.738 0.081 0.000 1.379 19 Q HN 0.819 nan 8.270 nan 0.000 0.436 20 G N 1.824 110.626 108.800 0.003 0.000 2.574 20 G HA2 -0.305 3.659 3.960 0.007 0.000 0.286 20 G HA3 -0.305 3.659 3.960 0.007 0.000 0.286 20 G C -0.134 174.759 174.900 -0.011 0.000 1.212 20 G CA 0.324 45.421 45.100 -0.005 0.000 0.979 20 G HN 0.767 nan 8.290 nan 0.000 0.557 21 D N 1.944 122.334 120.400 -0.016 0.000 2.328 21 D HA 0.405 5.049 4.640 0.007 0.000 0.226 21 D C 1.385 177.663 176.300 -0.035 0.000 1.066 21 D CA 0.838 54.827 54.000 -0.017 0.000 0.861 21 D CB -0.246 40.550 40.800 -0.007 0.000 0.912 21 D HN 0.883 nan 8.370 nan 0.000 0.521 22 A N 0.799 123.588 122.820 -0.052 0.000 2.524 22 A HA 0.322 4.646 4.320 0.007 0.000 0.250 22 A C 0.613 178.155 177.584 -0.071 0.000 1.078 22 A CA 0.426 52.412 52.037 -0.086 0.000 0.761 22 A CB 0.306 19.241 19.000 -0.109 0.000 1.012 22 A HN 0.074 nan 8.150 nan 0.000 0.500 23 T N 1.275 115.775 114.554 -0.090 0.000 2.883 23 T HA 0.534 4.888 4.350 0.007 0.000 0.301 23 T C -1.283 173.361 174.700 -0.094 0.000 1.158 23 T CA -0.407 61.654 62.100 -0.066 0.000 1.007 23 T CB 1.260 70.103 68.868 -0.041 0.000 1.186 23 T HN 0.666 nan 8.240 nan 0.000 0.499 24 V N 3.776 123.659 119.914 -0.052 0.000 2.417 24 V HA 0.777 4.901 4.120 0.007 0.000 0.291 24 V C -0.346 175.745 176.094 -0.004 0.000 1.024 24 V CA -0.537 61.738 62.300 -0.042 0.000 0.861 24 V CB 1.346 33.185 31.823 0.026 0.000 0.985 24 V HN 1.047 nan 8.190 nan 0.000 0.436 25 S N 2.297 117.992 115.700 -0.007 0.000 2.572 25 S HA 0.573 5.047 4.470 0.007 0.000 0.274 25 S C -0.064 174.553 174.600 0.028 0.000 1.150 25 S CA -0.146 58.062 58.200 0.012 0.000 0.944 25 S CB 1.823 65.021 63.200 -0.003 0.000 1.071 25 S HN 0.920 nan 8.310 nan 0.000 0.479 26 S N 1.547 117.273 115.700 0.043 0.000 3.587 26 S HA -0.116 4.358 4.470 0.007 0.000 0.337 26 S C 1.428 176.077 174.600 0.082 0.000 1.119 26 S CA 1.559 59.790 58.200 0.053 0.000 0.976 26 S CB -1.581 61.642 63.200 0.038 0.000 0.922 26 S HN 2.660 nan 8.310 nan 0.000 0.503 27 G N 0.280 109.147 108.800 0.110 0.000 2.205 27 G HA2 -0.343 3.620 3.960 0.007 0.000 0.261 27 G HA3 -0.343 3.620 3.960 0.007 0.000 0.261 27 G C -0.189 174.873 174.900 0.270 0.000 0.980 27 G CA 0.895 46.103 45.100 0.180 0.000 0.632 27 G HN 1.056 nan 8.290 nan 0.000 0.533 28 K N -0.506 119.978 120.400 0.139 0.000 2.238 28 K HA 0.834 5.158 4.320 0.007 0.000 0.239 28 K C -0.757 175.715 176.600 -0.214 0.000 0.987 28 K CA -1.364 54.948 56.287 0.041 0.000 0.857 28 K CB 2.406 34.908 32.500 0.003 0.000 1.154 28 K HN 0.351 nan 8.250 nan 0.000 0.439 29 L N 1.944 122.809 121.223 -0.597 0.000 2.255 29 L HA 0.198 4.542 4.340 0.007 0.000 0.289 29 L C -0.808 175.806 176.870 -0.427 0.000 1.046 29 L CA 0.167 54.603 54.840 -0.674 0.000 0.816 29 L CB 0.763 42.087 42.059 -1.226 0.000 1.197 29 L HN 0.577 nan 8.230 nan 0.000 0.427 30 Q N 5.618 125.256 119.800 -0.269 0.000 2.398 30 Q HA 0.251 4.595 4.340 0.007 0.000 0.251 30 Q C 0.684 176.588 176.000 -0.160 0.000 0.999 30 Q CA -0.301 55.398 55.803 -0.173 0.000 0.874 30 Q CB 1.651 30.327 28.738 -0.102 0.000 1.215 30 Q HN 0.783 nan 8.270 nan 0.000 0.470 31 L N 0.994 122.121 121.223 -0.159 0.000 2.156 31 L HA -0.043 4.301 4.340 0.007 0.000 0.208 31 L C 1.125 177.955 176.870 -0.067 0.000 1.095 31 L CA 0.973 55.724 54.840 -0.148 0.000 0.770 31 L CB -0.031 41.907 42.059 -0.202 0.000 0.914 31 L HN 0.580 nan 8.230 nan 0.000 0.439 32 T N -2.931 111.631 114.554 0.014 0.000 2.912 32 T HA 0.380 4.734 4.350 0.007 0.000 0.288 32 T C -0.374 174.345 174.700 0.032 0.000 1.030 32 T CA -1.001 61.132 62.100 0.053 0.000 1.020 32 T CB 2.393 71.371 68.868 0.184 0.000 1.056 32 T HN -0.147 nan 8.240 nan 0.000 0.480 33 K N 0.846 121.261 120.400 0.026 0.000 2.527 33 K HA 0.345 4.669 4.320 0.007 0.000 0.278 33 K C -1.160 175.448 176.600 0.013 0.000 0.981 33 K CA -0.015 56.281 56.287 0.014 0.000 1.009 33 K CB -0.027 32.482 32.500 0.016 0.000 0.895 33 K HN 0.522 nan 8.250 nan 0.000 0.493 34 V N 5.038 124.954 119.914 0.002 0.000 2.655 34 V HA 0.189 4.313 4.120 0.007 0.000 0.301 34 V C -0.599 175.493 176.094 -0.004 0.000 1.082 34 V CA -0.992 61.306 62.300 -0.003 0.000 0.899 34 V CB 1.879 33.696 31.823 -0.010 0.000 1.014 34 V HN 0.808 nan 8.190 nan 0.000 0.429 35 K N 2.399 122.796 120.400 -0.004 0.000 2.380 35 K HA 0.072 4.396 4.320 0.007 0.000 0.267 35 K C 1.102 177.698 176.600 -0.006 0.000 0.990 35 K CA -0.020 56.264 56.287 -0.004 0.000 0.946 35 K CB 1.021 33.518 32.500 -0.005 0.000 0.937 35 K HN 0.826 nan 8.250 nan 0.000 0.491 36 E N 1.394 121.592 120.200 -0.004 0.000 2.187 36 E HA -0.298 4.056 4.350 0.007 0.000 0.199 36 E C 1.153 177.749 176.600 -0.005 0.000 1.004 36 E CA 1.800 58.198 56.400 -0.004 0.000 0.813 36 E CB -0.370 29.328 29.700 -0.002 0.000 0.736 36 E HN 0.608 nan 8.360 nan 0.000 0.468 37 N N 0.481 119.177 118.700 -0.007 0.000 2.550 37 N HA -0.066 4.678 4.740 0.007 0.000 0.186 37 N C 1.325 176.828 175.510 -0.011 0.000 1.110 37 N CA 1.113 54.158 53.050 -0.009 0.000 0.912 37 N CB 0.335 38.816 38.487 -0.010 0.000 0.968 37 N HN 0.402 nan 8.380 nan 0.000 0.448 38 G N 0.845 109.638 108.800 -0.012 0.000 2.195 38 G HA2 -0.249 3.715 3.960 0.007 0.000 0.224 38 G HA3 -0.249 3.715 3.960 0.007 0.000 0.224 38 G C 0.097 174.986 174.900 -0.019 0.000 0.990 38 G CA 0.162 45.254 45.100 -0.014 0.000 0.639 38 G HN 0.632 nan 8.290 nan 0.000 0.514 39 I N -0.226 120.331 120.570 -0.020 0.000 2.428 39 I HA 0.704 4.878 4.170 0.007 0.000 0.289 39 I C -1.857 174.248 176.117 -0.021 0.000 1.019 39 I CA -2.653 58.631 61.300 -0.026 0.000 1.351 39 I CB 0.970 38.952 38.000 -0.030 0.000 1.412 39 I HN -0.136 nan 8.210 nan 0.000 0.513 40 P HA 0.098 nan 4.420 nan 0.000 0.271 40 P C -0.517 176.784 177.300 0.001 0.000 1.233 40 P CA -0.084 63.009 63.100 -0.011 0.000 0.795 40 P CB 0.430 32.118 31.700 -0.020 0.000 0.936 41 T N 1.217 115.783 114.554 0.020 0.000 2.893 41 T HA 0.546 4.900 4.350 0.007 0.000 0.291 41 T C -2.621 172.107 174.700 0.048 0.000 1.028 41 T CA -1.635 60.481 62.100 0.027 0.000 0.995 41 T CB 1.301 70.183 68.868 0.023 0.000 1.051 41 T HN 0.212 nan 8.240 nan 0.000 0.470 42 P HA 0.372 nan 4.420 nan 0.000 0.279 42 P C -0.167 177.173 177.300 0.066 0.000 1.252 42 P CA -0.285 62.857 63.100 0.070 0.000 0.811 42 P CB 0.565 32.307 31.700 0.070 0.000 1.035 43 S N -1.827 113.919 115.700 0.077 0.000 3.635 43 S HA -0.139 4.335 4.470 0.007 0.000 0.328 43 S C 0.408 175.043 174.600 0.059 0.000 1.135 43 S CA 0.980 59.220 58.200 0.068 0.000 0.942 43 S CB -1.630 61.603 63.200 0.054 0.000 0.930 43 S HN 0.699 nan 8.310 nan 0.000 0.512 44 S N 0.029 115.770 115.700 0.067 0.000 2.616 44 S HA 0.836 5.310 4.470 0.007 0.000 0.277 44 S C -0.477 174.151 174.600 0.047 0.000 1.234 44 S CA -0.531 57.702 58.200 0.054 0.000 1.028 44 S CB 1.190 64.428 63.200 0.063 0.000 0.988 44 S HN 0.519 nan 8.310 nan 0.000 0.522 45 L N 3.013 124.250 121.223 0.023 0.000 2.505 45 L HA 0.786 5.130 4.340 0.007 0.000 0.266 45 L C -0.541 176.317 176.870 -0.020 0.000 0.954 45 L CA -0.139 54.703 54.840 0.003 0.000 0.852 45 L CB 1.642 43.709 42.059 0.014 0.000 1.282 45 L HN 0.812 nan 8.230 nan 0.000 0.403 46 G N 4.218 112.986 108.800 -0.054 0.000 2.719 46 G HA2 0.714 4.678 3.960 0.007 0.000 0.298 46 G HA3 0.714 4.678 3.960 0.007 0.000 0.298 46 G C -1.802 173.026 174.900 -0.121 0.000 1.411 46 G CA -0.683 44.371 45.100 -0.076 0.000 0.991 46 G HN 0.538 nan 8.290 nan 0.000 0.509 47 R N -0.103 120.321 120.500 -0.126 0.000 2.771 47 R HA 0.835 5.179 4.340 0.007 0.000 0.274 47 R C -1.182 174.939 176.300 -0.299 0.000 0.987 47 R CA -1.026 54.931 56.100 -0.239 0.000 0.908 47 R CB 2.685 32.929 30.300 -0.093 0.000 1.213 47 R HN 0.867 nan 8.270 nan 0.000 0.468 48 A N 2.181 124.635 122.820 -0.610 0.000 2.465 48 A HA 0.737 5.061 4.320 0.007 0.000 0.292 48 A C -1.564 175.615 177.584 -0.674 0.000 1.041 48 A CA -0.607 51.183 52.037 -0.411 0.000 0.718 48 A CB 0.935 19.771 19.000 -0.273 0.000 1.266 48 A HN 0.530 nan 8.150 nan 0.000 0.403 49 F N 0.345 120.374 119.950 0.132 0.000 2.603 49 F HA 0.555 5.086 4.527 0.008 0.000 0.317 49 F C -0.201 175.831 175.800 0.387 0.000 1.066 49 F CA -0.829 57.291 58.000 0.199 0.000 0.941 49 F CB 1.273 40.295 39.000 0.038 0.000 1.291 49 F HN 0.620 nan 8.300 nan 0.000 0.472 50 Y N 1.285 121.840 120.300 0.424 0.000 2.511 50 Y HA 0.128 4.681 4.550 0.006 0.000 0.332 50 Y C 1.572 177.474 175.900 0.005 0.000 1.177 50 Y CA -0.404 57.736 58.100 0.068 0.000 1.422 50 Y CB 1.208 39.530 38.460 -0.230 0.000 1.271 50 Y HN 0.644 nan 8.280 nan 0.000 0.550 51 S N 1.403 116.761 115.700 -0.570 0.000 2.547 51 S HA -0.043 4.431 4.470 0.007 0.000 0.235 51 S C 0.709 175.044 174.600 -0.442 0.000 0.980 51 S CA 0.451 58.386 58.200 -0.442 0.000 0.941 51 S CB -0.275 62.655 63.200 -0.450 0.000 0.763 51 S HN 0.472 nan 8.310 nan 0.000 0.532 52 S N 2.619 117.959 115.700 -0.599 0.000 2.449 52 S HA 0.610 5.084 4.470 0.007 0.000 0.310 52 S C -2.963 171.632 174.600 -0.008 0.000 1.096 52 S CA -1.922 56.126 58.200 -0.254 0.000 1.095 52 S CB 0.793 63.865 63.200 -0.213 0.000 1.007 52 S HN 0.058 nan 8.310 nan 0.000 0.474 53 P HA 0.302 nan 4.420 nan 0.000 0.269 53 P C -1.010 176.378 177.300 0.146 0.000 1.215 53 P CA -0.237 62.898 63.100 0.059 0.000 0.780 53 P CB 0.330 32.054 31.700 0.040 0.000 0.898 54 I N 1.333 121.976 120.570 0.122 0.000 2.474 54 I HA 0.246 4.420 4.170 0.007 0.000 0.294 54 I C 0.366 176.502 176.117 0.032 0.000 1.005 54 I CA -0.384 60.987 61.300 0.119 0.000 1.113 54 I CB 1.739 39.788 38.000 0.082 0.000 1.289 54 I HN 0.254 nan 8.210 nan 0.000 0.436 55 Q N 5.370 125.148 119.800 -0.036 0.000 2.349 55 Q HA 0.276 4.620 4.340 0.007 0.000 0.254 55 Q C 0.294 176.191 176.000 -0.171 0.000 0.980 55 Q CA -0.354 55.230 55.803 -0.365 0.000 0.924 55 Q CB 0.812 29.279 28.738 -0.453 0.000 1.209 55 Q HN 0.571 nan 8.270 nan 0.000 0.445 56 I N 4.454 124.913 120.570 -0.184 0.000 2.584 56 I HA -0.045 4.129 4.170 0.007 0.000 0.255 56 I C 0.441 176.690 176.117 0.219 0.000 1.145 56 I CA 1.108 62.450 61.300 0.071 0.000 1.462 56 I CB -0.998 37.086 38.000 0.140 0.000 1.102 56 I HN 0.606 nan 8.210 nan 0.000 0.433 57 Y N -2.098 118.160 120.300 -0.071 0.000 2.750 57 Y HA 0.610 5.163 4.550 0.005 0.000 0.335 57 Y C -1.158 174.694 175.900 -0.079 0.000 1.252 57 Y CA -1.827 56.256 58.100 -0.029 0.000 1.064 57 Y CB 0.851 39.319 38.460 0.013 0.000 1.321 57 Y HN -0.104 nan 8.280 nan 0.000 0.451 58 D N 0.722 121.208 120.400 0.142 0.000 2.542 58 D HA 0.271 4.915 4.640 0.007 0.000 0.252 58 D C 0.444 176.837 176.300 0.154 0.000 1.222 58 D CA 0.242 54.266 54.000 0.041 0.000 0.895 58 D CB 2.173 42.990 40.800 0.028 0.000 1.207 58 D HN 0.987 nan 8.370 nan 0.000 0.558 59 K N 1.666 122.154 120.400 0.147 0.000 2.063 59 K HA -0.170 4.154 4.320 0.007 0.000 0.208 59 K C 1.865 178.526 176.600 0.102 0.000 1.048 59 K CA 2.256 58.643 56.287 0.166 0.000 0.928 59 K CB -1.002 31.583 32.500 0.143 0.000 0.713 59 K HN 0.556 nan 8.250 nan 0.000 0.442 60 S N 0.836 116.580 115.700 0.074 0.000 2.355 60 S HA -0.169 4.305 4.470 0.007 0.000 0.222 60 S C 2.405 177.038 174.600 0.054 0.000 1.031 60 S CA 1.869 60.103 58.200 0.057 0.000 0.993 60 S CB -0.716 62.512 63.200 0.046 0.000 0.859 60 S HN 0.836 nan 8.310 nan 0.000 0.453 61 T N -2.162 112.427 114.554 0.058 0.000 3.057 61 T HA 0.436 4.790 4.350 0.007 0.000 0.254 61 T C 1.617 176.354 174.700 0.060 0.000 1.094 61 T CA 0.753 62.884 62.100 0.053 0.000 1.088 61 T CB -0.318 68.579 68.868 0.049 0.000 0.934 61 T HN 1.019 nan 8.240 nan 0.000 0.497 62 G N 1.375 110.223 108.800 0.080 0.000 2.143 62 G HA2 -0.032 3.932 3.960 0.007 0.000 0.248 62 G HA3 -0.032 3.932 3.960 0.007 0.000 0.248 62 G C 0.220 175.172 174.900 0.086 0.000 0.991 62 G CA -0.016 45.132 45.100 0.081 0.000 0.689 62 G HN 1.201 nan 8.290 nan 0.000 0.522 63 A N -0.626 122.253 122.820 0.099 0.000 2.327 63 A HA 0.784 5.108 4.320 0.007 0.000 0.283 63 A C 0.197 177.872 177.584 0.152 0.000 1.127 63 A CA 0.071 52.169 52.037 0.101 0.000 0.810 63 A CB 1.463 20.513 19.000 0.083 0.000 1.066 63 A HN 1.180 nan 8.150 nan 0.000 0.492 64 V N 1.619 121.623 119.914 0.150 0.000 2.540 64 V HA 0.614 4.738 4.120 0.007 0.000 0.302 64 V C 0.654 176.881 176.094 0.223 0.000 1.035 64 V CA -0.452 61.975 62.300 0.212 0.000 0.873 64 V CB 1.349 33.285 31.823 0.189 0.000 0.992 64 V HN 1.222 nan 8.190 nan 0.000 0.428 65 A N 3.411 126.401 122.820 0.283 0.000 2.351 65 A HA 0.693 5.017 4.320 0.007 0.000 0.257 65 A C 0.344 178.160 177.584 0.386 0.000 1.087 65 A CA -0.079 52.139 52.037 0.302 0.000 0.798 65 A CB 0.514 19.709 19.000 0.324 0.000 1.033 65 A HN 0.740 nan 8.150 nan 0.000 0.488 66 S N 1.580 117.437 115.700 0.261 0.000 2.501 66 S HA 0.775 5.249 4.470 0.007 0.000 0.301 66 S C -0.766 173.944 174.600 0.184 0.000 1.096 66 S CA -0.442 57.830 58.200 0.120 0.000 1.063 66 S CB 0.600 63.795 63.200 -0.008 0.000 1.042 66 S HN 0.742 nan 8.310 nan 0.000 0.494 67 W N 0.455 121.800 121.300 0.075 0.000 2.988 67 W HA 0.831 5.494 4.660 0.006 0.000 0.355 67 W C -1.445 174.998 176.519 -0.127 0.000 1.233 67 W CA -1.282 56.001 57.345 -0.103 0.000 1.176 67 W CB 1.002 30.407 29.460 -0.093 0.000 1.477 67 W HN 0.779 nan 8.180 nan 0.000 0.582 68 A N 0.894 123.747 122.820 0.054 0.000 2.604 68 A HA 0.711 5.035 4.320 0.007 0.000 0.295 68 A C -1.533 176.026 177.584 -0.041 0.000 1.067 68 A CA -0.431 51.617 52.037 0.019 0.000 0.683 68 A CB 1.830 20.773 19.000 -0.095 0.000 1.281 68 A HN 0.728 nan 8.150 nan 0.000 0.407 69 T N 0.067 114.694 114.554 0.122 0.000 2.894 69 T HA 0.787 5.141 4.350 0.007 0.000 0.309 69 T C -1.044 173.780 174.700 0.207 0.000 1.208 69 T CA 0.339 62.565 62.100 0.210 0.000 1.016 69 T CB 1.336 70.424 68.868 0.366 0.000 1.192 69 T HN 2.167 nan 8.240 nan 0.000 0.491 70 S N 2.653 118.560 115.700 0.345 0.000 2.536 70 S HA 0.908 5.382 4.470 0.007 0.000 0.271 70 S C -1.282 173.622 174.600 0.506 0.000 1.134 70 S CA -0.831 57.496 58.200 0.211 0.000 0.897 70 S CB 1.303 64.546 63.200 0.072 0.000 1.094 70 S HN 0.966 nan 8.310 nan 0.000 0.473 71 F N -1.628 118.443 119.950 0.201 0.000 2.713 71 F HA 0.824 5.355 4.527 0.006 0.000 0.311 71 F C -1.023 174.806 175.800 0.047 0.000 1.141 71 F CA -0.911 57.223 58.000 0.223 0.000 0.939 71 F CB 1.172 40.327 39.000 0.258 0.000 1.325 71 F HN 0.477 nan 8.300 nan 0.000 0.453 72 T N 2.318 117.014 114.554 0.237 0.000 2.786 72 T HA 0.642 4.996 4.350 0.007 0.000 0.283 72 T C -0.683 174.062 174.700 0.075 0.000 0.992 72 T CA -0.609 61.534 62.100 0.070 0.000 0.954 72 T CB 1.268 70.186 68.868 0.085 0.000 0.934 72 T HN 0.859 nan 8.240 nan 0.000 0.440 73 V N 0.972 120.887 119.914 0.000 0.000 2.919 73 V HA 0.783 4.906 4.120 0.007 0.000 0.316 73 V C -0.516 175.581 176.094 0.004 0.000 1.077 73 V CA -1.039 61.246 62.300 -0.025 0.000 0.977 73 V CB 2.108 33.901 31.823 -0.049 0.000 1.039 73 V HN 0.720 nan 8.190 nan 0.000 0.441 74 K N 2.821 123.226 120.400 0.008 0.000 2.578 74 K HA 0.615 4.939 4.320 0.007 0.000 0.250 74 K C -1.774 174.842 176.600 0.027 0.000 0.955 74 K CA -0.556 55.754 56.287 0.038 0.000 0.825 74 K CB 1.783 34.299 32.500 0.026 0.000 1.151 74 K HN 0.845 nan 8.250 nan 0.000 0.432 75 I N 2.363 122.970 120.570 0.062 0.000 2.378 75 I HA 0.262 4.436 4.170 0.007 0.000 0.291 75 I C -0.374 175.787 176.117 0.074 0.000 0.992 75 I CA -0.501 60.816 61.300 0.029 0.000 1.154 75 I CB 2.041 40.082 38.000 0.068 0.000 1.315 75 I HN 0.416 nan 8.210 nan 0.000 0.448 76 S N 4.263 119.995 115.700 0.053 0.000 2.536 76 S HA 0.823 5.297 4.470 0.007 0.000 0.287 76 S C -0.744 173.894 174.600 0.063 0.000 1.101 76 S CA -0.650 57.606 58.200 0.093 0.000 0.950 76 S CB 2.130 65.346 63.200 0.026 0.000 1.056 76 S HN 0.692 nan 8.310 nan 0.000 0.481 77 A N 3.398 126.229 122.820 0.018 0.000 2.356 77 A HA 0.873 5.197 4.320 0.007 0.000 0.310 77 A C -2.764 174.699 177.584 -0.203 0.000 1.075 77 A CA -1.715 50.196 52.037 -0.210 0.000 0.746 77 A CB 0.207 18.777 19.000 -0.717 0.000 1.221 77 A HN 0.545 nan 8.150 nan 0.000 0.443 82 S N 0.123 115.525 115.700 -0.497 0.000 2.513 82 S HA 0.774 5.248 4.470 0.007 0.000 0.299 82 S C -0.725 173.686 174.600 -0.315 0.000 1.087 82 S CA -0.379 57.526 58.200 -0.491 0.000 1.012 82 S CB 0.232 63.069 63.200 -0.605 0.000 1.044 82 S HN 0.543 nan 8.310 nan 0.000 0.485 83 F N 2.511 122.438 119.950 -0.038 0.000 2.572 83 F HA 0.483 5.014 4.527 0.007 0.000 0.370 83 F C 0.906 176.792 175.800 0.143 0.000 1.103 83 F CA 0.282 58.298 58.000 0.027 0.000 1.286 83 F CB 0.318 39.312 39.000 -0.011 0.000 1.105 83 F HN 0.631 nan 8.300 nan 0.000 0.583 84 A N 2.834 125.870 122.820 0.360 0.000 2.585 84 A HA 0.355 4.679 4.320 0.007 0.000 0.299 84 A C -0.294 177.472 177.584 0.302 0.000 1.047 84 A CA -0.709 51.513 52.037 0.309 0.000 0.723 84 A CB 0.903 20.099 19.000 0.327 0.000 1.275 84 A HN 0.636 nan 8.150 nan 0.000 0.408 85 D N 0.142 120.725 120.400 0.304 0.000 2.454 85 D HA 0.424 5.068 4.640 0.007 0.000 0.219 85 D C 0.797 177.243 176.300 0.243 0.000 1.081 85 D CA 1.722 55.863 54.000 0.236 0.000 0.867 85 D CB 1.336 42.243 40.800 0.179 0.000 1.054 85 D HN 1.598 nan 8.370 nan 0.000 0.500 86 G N 0.816 109.801 108.800 0.308 0.000 2.361 86 G HA2 0.103 4.067 3.960 0.007 0.000 0.331 86 G HA3 0.103 4.067 3.960 0.007 0.000 0.331 86 G C -1.815 173.142 174.900 0.095 0.000 1.324 86 G CA -0.604 44.676 45.100 0.300 0.000 0.984 86 G HN 0.113 nan 8.290 nan 0.000 0.586 87 I N 0.016 120.695 120.570 0.182 0.000 2.647 87 I HA 0.825 4.999 4.170 0.007 0.000 0.295 87 I C -0.119 176.169 176.117 0.285 0.000 1.078 87 I CA -0.905 60.446 61.300 0.084 0.000 1.048 87 I CB 1.873 39.926 38.000 0.088 0.000 1.239 87 I HN 1.535 nan 8.210 nan 0.000 0.421 88 A N 5.867 128.812 122.820 0.208 0.000 2.435 88 A HA 0.651 4.975 4.320 0.007 0.000 0.304 88 A C -1.670 176.080 177.584 0.276 0.000 1.064 88 A CA -0.445 51.763 52.037 0.284 0.000 0.727 88 A CB 1.240 20.332 19.000 0.154 0.000 1.284 88 A HN 0.642 nan 8.150 nan 0.000 0.415 89 F N 2.240 122.342 119.950 0.253 0.000 2.405 89 F HA 0.688 5.219 4.527 0.007 0.000 0.355 89 F C 0.170 175.992 175.800 0.037 0.000 1.121 89 F CA -0.279 57.747 58.000 0.045 0.000 1.112 89 F CB 0.919 40.060 39.000 0.234 0.000 1.126 89 F HN 0.815 nan 8.300 nan 0.000 0.481 90 A N 5.843 128.156 122.820 -0.845 0.000 2.469 90 A HA 0.817 5.141 4.320 0.007 0.000 0.299 90 A C -1.994 175.250 177.584 -0.566 0.000 1.098 90 A CA -0.758 50.975 52.037 -0.507 0.000 0.737 90 A CB 1.430 20.292 19.000 -0.231 0.000 1.312 90 A HN 0.713 nan 8.150 nan 0.000 0.414 91 L N 1.719 122.761 121.223 -0.302 0.000 2.324 91 L HA 0.528 4.872 4.340 0.007 0.000 0.274 91 L C 0.005 176.770 176.870 -0.175 0.000 1.012 91 L CA -0.316 54.379 54.840 -0.242 0.000 0.859 91 L CB 1.389 43.342 42.059 -0.177 0.000 1.224 91 L HN 0.680 nan 8.230 nan 0.000 0.429 92 V N 1.396 121.181 119.914 -0.215 0.000 2.994 92 V HA 0.810 4.934 4.120 0.007 0.000 0.318 92 V C -2.579 173.371 176.094 -0.240 0.000 1.085 92 V CA -2.789 59.366 62.300 -0.241 0.000 0.998 92 V CB 1.669 33.297 31.823 -0.324 0.000 1.063 92 V HN 0.384 nan 8.190 nan 0.000 0.447 93 P HA 0.205 nan 4.420 nan 0.000 0.269 93 P C 1.078 178.251 177.300 -0.212 0.000 1.209 93 P CA 0.002 63.009 63.100 -0.155 0.000 0.776 93 P CB 0.795 32.422 31.700 -0.122 0.000 0.876 94 V N 3.117 122.932 119.914 -0.165 0.000 2.282 94 V HA -0.258 3.866 4.120 0.007 0.000 0.249 94 V C 2.464 178.433 176.094 -0.208 0.000 1.057 94 V CA 2.824 65.011 62.300 -0.189 0.000 1.032 94 V CB -1.742 30.003 31.823 -0.131 0.000 0.645 94 V HN 0.853 nan 8.190 nan 0.000 0.447 95 G N -1.343 107.359 108.800 -0.164 0.000 2.448 95 G HA2 -0.163 3.801 3.960 0.007 0.000 0.218 95 G HA3 -0.163 3.801 3.960 0.007 0.000 0.218 95 G C 0.885 175.683 174.900 -0.169 0.000 1.135 95 G CA 0.714 45.724 45.100 -0.149 0.000 0.784 95 G HN 0.490 nan 8.290 nan 0.000 0.543 96 S N 0.275 115.856 115.700 -0.198 0.000 3.776 96 S HA -0.141 4.333 4.470 0.007 0.000 0.453 96 S C 0.198 174.697 174.600 -0.169 0.000 1.121 96 S CA 0.437 58.514 58.200 -0.205 0.000 0.869 96 S CB 0.078 63.104 63.200 -0.290 0.000 0.648 96 S HN 0.507 nan 8.310 nan 0.000 0.469 97 E N 4.680 124.811 120.200 -0.114 0.000 2.222 97 E HA 0.607 4.961 4.350 0.007 0.000 0.267 97 E C -2.372 174.193 176.600 -0.057 0.000 0.963 97 E CA -2.063 54.295 56.400 -0.071 0.000 0.837 97 E CB 0.839 30.503 29.700 -0.060 0.000 1.183 97 E HN 0.347 nan 8.360 nan 0.000 0.403 98 P HA 0.051 nan 4.420 nan 0.000 0.269 98 P C -0.477 176.797 177.300 -0.044 0.000 1.211 98 P CA 0.254 63.342 63.100 -0.020 0.000 0.781 98 P CB 0.619 32.318 31.700 -0.002 0.000 0.877 99 R N 0.763 121.233 120.500 -0.051 0.000 3.139 99 R HA 0.449 4.793 4.340 0.007 0.000 0.218 99 R C 0.375 176.653 176.300 -0.036 0.000 1.637 99 R CA -1.026 55.036 56.100 -0.062 0.000 0.971 99 R CB 0.399 30.643 30.300 -0.092 0.000 2.211 99 R HN 0.392 nan 8.270 nan 0.000 0.535 100 R N 1.909 122.373 120.500 -0.059 0.000 2.623 100 R HA -0.009 4.335 4.340 0.007 0.000 0.271 100 R C 0.467 176.839 176.300 0.121 0.000 1.043 100 R CA 0.265 56.346 56.100 -0.031 0.000 1.083 100 R CB -0.017 30.118 30.300 -0.275 0.000 0.974 100 R HN 0.711 nan 8.270 nan 0.000 0.436 101 N N 0.129 118.911 118.700 0.136 0.000 2.452 101 N HA 0.402 5.146 4.740 0.007 0.000 0.296 101 N C 0.751 176.402 175.510 0.236 0.000 1.304 101 N CA -0.564 52.579 53.050 0.155 0.000 0.956 101 N CB 0.214 38.761 38.487 0.100 0.000 1.106 101 N HN 0.473 nan 8.380 nan 0.000 0.555 102 G N -0.664 108.239 108.800 0.172 0.000 2.583 102 G HA2 -0.364 3.600 3.960 0.007 0.000 0.292 102 G HA3 -0.364 3.600 3.960 0.007 0.000 0.292 102 G C 0.823 175.824 174.900 0.169 0.000 1.203 102 G CA 0.345 45.546 45.100 0.167 0.000 0.987 102 G HN 1.001 nan 8.290 nan 0.000 0.554 103 G N -1.165 107.722 108.800 0.144 0.000 2.708 103 G HA2 0.193 4.157 3.960 0.007 0.000 0.210 103 G HA3 0.193 4.157 3.960 0.007 0.000 0.210 103 G C 1.181 176.097 174.900 0.026 0.000 1.141 103 G CA 1.536 46.714 45.100 0.131 0.000 0.788 103 G HN 0.589 nan 8.290 nan 0.000 0.531 104 Y N -0.493 119.927 120.300 0.200 0.000 2.466 104 Y HA 0.324 4.877 4.550 0.007 0.000 0.272 104 Y C 1.696 177.670 175.900 0.124 0.000 1.169 104 Y CA -0.571 57.600 58.100 0.119 0.000 1.285 104 Y CB 0.170 38.676 38.460 0.076 0.000 1.078 104 Y HN 0.026 nan 8.280 nan 0.000 0.523 105 L N -0.474 120.872 121.223 0.204 0.000 4.312 105 L HA -0.381 3.963 4.340 0.007 0.000 0.427 105 L C 1.498 178.409 176.870 0.068 0.000 1.149 105 L CA 0.861 55.774 54.840 0.122 0.000 0.978 105 L CB -2.052 40.081 42.059 0.125 0.000 1.963 105 L HN 0.487 nan 8.230 nan 0.000 0.970 106 G N -1.172 107.682 108.800 0.089 0.000 2.184 106 G HA2 -0.307 3.657 3.960 0.007 0.000 0.264 106 G HA3 -0.307 3.657 3.960 0.007 0.000 0.264 106 G C 0.532 175.403 174.900 -0.049 0.000 0.975 106 G CA 0.731 45.844 45.100 0.022 0.000 0.642 106 G HN 1.008 nan 8.290 nan 0.000 0.536 107 V N -4.369 115.483 119.914 -0.103 0.000 3.604 107 V HA 0.760 4.884 4.120 0.007 0.000 0.277 107 V C 0.650 176.343 176.094 -0.668 0.000 1.399 107 V CA 0.140 62.203 62.300 -0.395 0.000 1.034 107 V CB -0.282 31.212 31.823 -0.550 0.000 0.824 107 V HN 0.291 nan 8.190 nan 0.000 0.439 108 F N 0.083 120.045 119.950 0.020 0.000 2.640 108 F HA 0.716 5.246 4.527 0.006 0.000 0.324 108 F C 0.721 176.462 175.800 -0.100 0.000 1.077 108 F CA -0.921 57.069 58.000 -0.017 0.000 0.965 108 F CB 1.607 40.610 39.000 0.006 0.000 1.351 108 F HN -0.254 nan 8.300 nan 0.000 0.487 109 D N -0.771 119.655 120.400 0.043 0.000 2.479 109 D HA 0.128 4.772 4.640 0.007 0.000 0.221 109 D C 0.103 176.193 176.300 -0.349 0.000 1.104 109 D CA 0.734 54.579 54.000 -0.259 0.000 0.849 109 D CB 1.064 41.774 40.800 -0.151 0.000 1.072 109 D HN 0.366 nan 8.370 nan 0.000 0.502 110 S N 0.100 115.749 115.700 -0.085 0.000 2.643 110 S HA 0.202 4.676 4.470 0.007 0.000 0.270 110 S C -0.968 173.585 174.600 -0.078 0.000 1.166 110 S CA -0.634 57.560 58.200 -0.009 0.000 0.815 110 S CB 1.587 64.768 63.200 -0.032 0.000 1.139 110 S HN -0.084 nan 8.310 nan 0.000 0.472 111 D N 0.649 120.983 120.400 -0.109 0.000 2.342 111 D HA 0.169 4.813 4.640 0.007 0.000 0.221 111 D C 0.103 176.362 176.300 -0.070 0.000 1.101 111 D CA 0.034 53.904 54.000 -0.216 0.000 0.837 111 D CB 0.030 40.744 40.800 -0.142 0.000 0.938 111 D HN 0.271 nan 8.370 nan 0.000 0.508 112 V N 1.709 121.605 119.914 -0.030 0.000 2.394 112 V HA 0.140 4.264 4.120 0.007 0.000 0.282 112 V C -0.329 175.779 176.094 0.024 0.000 1.031 112 V CA -1.236 61.077 62.300 0.023 0.000 0.881 112 V CB 0.861 32.705 31.823 0.035 0.000 0.982 112 V HN 0.100 nan 8.190 nan 0.000 0.451 113 Y N 5.005 125.275 120.300 -0.049 0.000 2.810 113 Y HA 0.100 4.653 4.550 0.005 0.000 0.332 113 Y C 0.474 176.365 175.900 -0.016 0.000 1.243 113 Y CA 0.780 58.854 58.100 -0.043 0.000 1.537 113 Y CB 0.249 38.691 38.460 -0.029 0.000 1.265 113 Y HN 0.763 nan 8.280 nan 0.000 0.572 114 N N 5.188 123.504 118.700 -0.640 0.000 2.640 114 N HA 0.060 4.804 4.740 0.007 0.000 0.262 114 N C 0.109 175.250 175.510 -0.615 0.000 1.174 114 N CA -0.428 52.352 53.050 -0.451 0.000 0.791 114 N CB 0.249 38.618 38.487 -0.196 0.000 1.279 114 N HN 0.834 nan 8.380 nan 0.000 0.535 115 N N 1.338 119.625 118.700 -0.689 0.000 2.132 115 N HA -0.223 4.520 4.740 0.007 0.000 0.191 115 N C 1.332 176.745 175.510 -0.162 0.000 1.015 115 N CA 2.212 55.040 53.050 -0.370 0.000 0.864 115 N CB 0.168 38.640 38.487 -0.025 0.000 1.006 115 N HN 0.511 nan 8.380 nan 0.000 0.430 116 S N -1.308 114.316 115.700 -0.126 0.000 2.547 116 S HA 0.061 4.535 4.470 0.007 0.000 0.235 116 S C 1.784 176.344 174.600 -0.068 0.000 0.980 116 S CA 0.580 58.738 58.200 -0.069 0.000 0.941 116 S CB -0.379 62.790 63.200 -0.053 0.000 0.763 116 S HN 0.443 nan 8.310 nan 0.000 0.532 117 A N 0.776 123.545 122.820 -0.085 0.000 2.067 117 A HA 0.101 4.425 4.320 0.007 0.000 0.217 117 A C 1.202 178.760 177.584 -0.044 0.000 1.156 117 A CA 0.605 52.613 52.037 -0.049 0.000 0.683 117 A CB -0.469 18.541 19.000 0.017 0.000 0.808 117 A HN 0.520 nan 8.150 nan 0.000 0.455 118 Q N 0.091 119.873 119.800 -0.031 0.000 2.416 118 Q HA -0.156 4.188 4.340 0.007 0.000 0.319 118 Q C -0.817 175.173 176.000 -0.016 0.000 1.318 118 Q CA 1.453 57.251 55.803 -0.008 0.000 0.915 118 Q CB -2.463 26.267 28.738 -0.014 0.000 1.184 118 Q HN 0.577 nan 8.270 nan 0.000 0.444 119 T N -0.652 113.915 114.554 0.022 0.000 2.916 119 T HA 0.636 4.990 4.350 0.007 0.000 0.298 119 T C -0.340 174.447 174.700 0.144 0.000 1.031 119 T CA -0.512 61.578 62.100 -0.017 0.000 0.993 119 T CB 2.540 71.264 68.868 -0.241 0.000 1.045 119 T HN 0.028 nan 8.240 nan 0.000 0.454 120 V N 1.996 121.975 119.914 0.109 0.000 2.656 120 V HA 0.945 5.069 4.120 0.007 0.000 0.307 120 V C -0.390 175.813 176.094 0.181 0.000 1.051 120 V CA -0.610 61.815 62.300 0.208 0.000 0.893 120 V CB 1.679 33.608 31.823 0.178 0.000 0.999 120 V HN 1.158 nan 8.190 nan 0.000 0.426 121 A N 3.755 126.740 122.820 0.275 0.000 2.587 121 A HA 0.912 5.236 4.320 0.007 0.000 0.293 121 A C -1.570 176.168 177.584 0.256 0.000 1.087 121 A CA -0.579 51.598 52.037 0.235 0.000 0.692 121 A CB 2.231 21.359 19.000 0.214 0.000 1.291 121 A HN 0.643 nan 8.150 nan 0.000 0.407 122 V N 2.209 122.290 119.914 0.279 0.000 2.378 122 V HA 0.421 4.545 4.120 0.007 0.000 0.288 122 V C -0.231 175.866 176.094 0.004 0.000 1.016 122 V CA -0.346 62.050 62.300 0.160 0.000 0.840 122 V CB 1.172 33.172 31.823 0.294 0.000 0.994 122 V HN 1.014 nan 8.190 nan 0.000 0.431 123 E N 4.124 124.198 120.200 -0.209 0.000 2.212 123 E HA 0.686 5.040 4.350 0.007 0.000 0.270 123 E C -1.509 174.623 176.600 -0.780 0.000 0.956 123 E CA -0.752 55.495 56.400 -0.255 0.000 0.825 123 E CB 1.753 31.431 29.700 -0.037 0.000 1.167 123 E HN 0.416 nan 8.360 nan 0.000 0.400 124 F N 1.092 121.052 119.950 0.018 0.000 2.564 124 F HA 0.207 4.738 4.527 0.007 0.000 0.361 124 F C -0.314 175.586 175.800 0.167 0.000 1.161 124 F CA -0.974 56.995 58.000 -0.051 0.000 1.198 124 F CB 1.000 39.888 39.000 -0.187 0.000 1.424 124 F HN 0.419 nan 8.300 nan 0.000 0.517 125 D N 1.619 122.041 120.400 0.038 0.000 2.338 125 D HA 0.067 4.711 4.640 0.007 0.000 0.255 125 D C 1.194 177.533 176.300 0.065 0.000 1.237 125 D CA 0.289 54.261 54.000 -0.048 0.000 0.883 125 D CB 1.257 41.740 40.800 -0.528 0.000 1.087 125 D HN 0.537 nan 8.370 nan 0.000 0.485 126 T N 1.169 115.812 114.554 0.147 0.000 3.086 126 T HA 0.214 4.568 4.350 0.007 0.000 0.250 126 T C 0.536 175.309 174.700 0.121 0.000 1.074 126 T CA -0.424 61.714 62.100 0.065 0.000 0.988 126 T CB 0.163 69.069 68.868 0.063 0.000 0.988 126 T HN 0.203 nan 8.240 nan 0.000 0.530 127 L N 0.881 122.194 121.223 0.150 0.000 2.476 127 L HA 0.629 4.973 4.340 0.007 0.000 0.269 127 L C -0.601 176.346 176.870 0.128 0.000 0.965 127 L CA -0.505 54.423 54.840 0.147 0.000 0.845 127 L CB 2.385 44.533 42.059 0.147 0.000 1.259 127 L HN -0.010 nan 8.230 nan 0.000 0.403 128 S N 3.370 119.126 115.700 0.093 0.000 2.455 128 S HA 0.363 4.837 4.470 0.007 0.000 0.278 128 S C -0.255 174.267 174.600 -0.129 0.000 1.216 128 S CA -0.240 57.978 58.200 0.030 0.000 1.055 128 S CB -0.342 62.862 63.200 0.007 0.000 0.939 128 S HN 0.716 nan 8.310 nan 0.000 0.494 129 N N 2.796 121.317 118.700 -0.297 0.000 2.439 129 N HA 0.170 4.914 4.740 0.007 0.000 0.249 129 N C 1.134 176.232 175.510 -0.687 0.000 1.003 129 N CA -0.409 52.271 53.050 -0.616 0.000 0.942 129 N CB 1.378 39.183 38.487 -1.136 0.000 1.115 129 N HN 0.525 nan 8.380 nan 0.000 0.505 130 S N 1.097 116.534 115.700 -0.439 0.000 2.389 130 S HA -0.261 4.213 4.470 0.007 0.000 0.231 130 S C 2.099 176.500 174.600 -0.332 0.000 1.052 130 S CA 1.392 59.406 58.200 -0.310 0.000 1.053 130 S CB -0.784 62.293 63.200 -0.205 0.000 0.886 130 S HN 0.721 nan 8.310 nan 0.000 0.456 131 G N 0.597 109.113 108.800 -0.473 0.000 2.462 131 G HA2 -0.065 3.899 3.960 0.007 0.000 0.220 131 G HA3 -0.065 3.899 3.960 0.007 0.000 0.220 131 G C 0.993 175.861 174.900 -0.054 0.000 1.121 131 G CA 0.977 45.923 45.100 -0.256 0.000 0.758 131 G HN 0.920 nan 8.290 nan 0.000 0.559 132 W N -1.556 119.723 121.300 -0.034 0.000 1.583 132 W HA 0.463 5.127 4.660 0.008 0.000 0.214 132 W C -0.953 175.536 176.519 -0.050 0.000 0.808 132 W CA -0.947 56.376 57.345 -0.036 0.000 0.964 132 W CB 0.259 29.698 29.460 -0.036 0.000 0.909 132 W HN -0.243 nan 8.180 nan 0.000 0.503 133 D N 2.764 123.052 120.400 -0.187 0.000 2.253 133 D HA 0.368 5.012 4.640 0.007 0.000 0.249 133 D C -2.008 174.187 176.300 -0.175 0.000 1.049 133 D CA -1.448 52.496 54.000 -0.093 0.000 0.929 133 D CB 1.301 42.038 40.800 -0.104 0.000 1.176 133 D HN -0.225 nan 8.370 nan 0.000 0.437 134 P HA 0.093 nan 4.420 nan 0.000 0.274 134 P C 0.806 178.002 177.300 -0.174 0.000 1.256 134 P CA -0.365 62.592 63.100 -0.237 0.000 0.795 134 P CB 0.604 32.115 31.700 -0.314 0.000 1.038 135 S N -0.454 115.190 115.700 -0.093 0.000 2.374 135 S HA -0.125 4.349 4.470 0.007 0.000 0.227 135 S C 1.109 175.703 174.600 -0.011 0.000 1.037 135 S CA 1.320 59.492 58.200 -0.047 0.000 1.024 135 S CB -0.605 62.580 63.200 -0.025 0.000 0.861 135 S HN 0.455 nan 8.310 nan 0.000 0.456 136 M N -0.696 118.914 119.600 0.017 0.000 2.758 136 M HA 0.549 5.033 4.480 0.007 0.000 0.281 136 M C -0.418 176.007 176.300 0.208 0.000 1.082 136 M CA -0.928 54.416 55.300 0.074 0.000 0.866 136 M CB 0.398 33.029 32.600 0.051 0.000 1.662 136 M HN -0.341 nan 8.290 nan 0.000 0.515 137 K N 1.833 122.313 120.400 0.132 0.000 2.401 137 K HA 0.175 4.499 4.320 0.007 0.000 0.278 137 K C -0.790 175.998 176.600 0.313 0.000 1.018 137 K CA 0.262 56.624 56.287 0.125 0.000 0.981 137 K CB 0.151 32.506 32.500 -0.242 0.000 0.933 137 K HN 0.651 nan 8.250 nan 0.000 0.477 138 H N 0.629 119.856 119.070 0.262 0.000 2.966 138 H HA 0.454 5.014 4.556 0.006 0.000 0.330 138 H C -0.918 174.548 175.328 0.230 0.000 1.292 138 H CA -1.055 55.149 56.048 0.259 0.000 1.127 138 H CB 0.737 30.579 29.762 0.133 0.000 1.863 138 H HN 0.326 nan 8.280 nan 0.000 0.543 139 I N 0.582 121.200 120.570 0.079 0.000 2.404 139 I HA 0.598 4.772 4.170 0.007 0.000 0.293 139 I C 0.304 176.376 176.117 -0.076 0.000 0.992 139 I CA -0.459 60.699 61.300 -0.236 0.000 1.149 139 I CB 2.014 39.845 38.000 -0.281 0.000 1.315 139 I HN 0.811 nan 8.210 nan 0.000 0.446 140 G N 5.854 114.565 108.800 -0.149 0.000 2.660 140 G HA2 0.727 4.691 3.960 0.007 0.000 0.294 140 G HA3 0.727 4.691 3.960 0.007 0.000 0.294 140 G C -1.322 173.567 174.900 -0.018 0.000 1.369 140 G CA -0.534 44.571 45.100 0.008 0.000 0.912 140 G HN 0.434 nan 8.290 nan 0.000 0.479 141 I N 1.684 122.278 120.570 0.040 0.000 2.330 141 I HA 0.252 4.426 4.170 0.007 0.000 0.289 141 I C -0.977 175.185 176.117 0.076 0.000 1.001 141 I CA -0.702 60.643 61.300 0.075 0.000 1.193 141 I CB 1.632 39.687 38.000 0.091 0.000 1.345 141 I HN 0.208 nan 8.210 nan 0.000 0.461 142 D N 6.791 127.252 120.400 0.102 0.000 2.256 142 D HA 0.344 4.988 4.640 0.007 0.000 0.240 142 D C -0.447 175.925 176.300 0.120 0.000 1.062 142 D CA -0.216 53.807 54.000 0.039 0.000 0.832 142 D CB 2.588 43.391 40.800 0.005 0.000 1.135 142 D HN 0.046 nan 8.370 nan 0.000 0.484 143 V N 3.770 123.719 119.914 0.059 0.000 2.289 143 V HA 0.201 4.325 4.120 0.007 0.000 0.272 143 V C 0.227 176.416 176.094 0.159 0.000 1.026 143 V CA -0.813 61.584 62.300 0.163 0.000 0.807 143 V CB 0.094 32.024 31.823 0.178 0.000 1.044 143 V HN 0.560 nan 8.190 nan 0.000 0.443 144 N N 1.885 120.692 118.700 0.178 0.000 2.776 144 N HA -0.171 4.573 4.740 0.007 0.000 0.249 144 N C -0.052 175.328 175.510 -0.217 0.000 1.111 144 N CA 1.511 54.606 53.050 0.074 0.000 0.711 144 N CB -0.685 37.667 38.487 -0.225 0.000 1.065 144 N HN 0.948 nan 8.380 nan 0.000 0.556 145 S N -1.051 114.206 115.700 -0.737 0.000 2.608 145 S HA 0.356 4.830 4.470 0.007 0.000 0.285 145 S C 0.217 174.087 174.600 -1.216 0.000 1.108 145 S CA -0.683 57.055 58.200 -0.770 0.000 0.858 145 S CB 0.557 63.592 63.200 -0.274 0.000 1.077 145 S HN 0.008 nan 8.310 nan 0.000 0.450 146 I N 2.636 122.632 120.570 -0.957 0.000 3.176 146 I HA 0.285 4.459 4.170 0.007 0.000 0.275 146 I C 0.964 176.723 176.117 -0.596 0.000 1.298 146 I CA 0.882 61.711 61.300 -0.786 0.000 1.445 146 I CB -0.252 37.270 38.000 -0.797 0.000 1.075 146 I HN 0.588 nan 8.210 nan 0.000 0.482 147 K N 1.590 121.723 120.400 -0.444 0.000 2.231 147 K HA 0.200 4.524 4.320 0.007 0.000 0.275 147 K C -0.129 176.424 176.600 -0.079 0.000 1.105 147 K CA -0.178 56.020 56.287 -0.148 0.000 0.931 147 K CB 0.324 32.796 32.500 -0.047 0.000 1.296 147 K HN 0.152 nan 8.250 nan 0.000 0.446 148 S N 3.746 119.442 115.700 -0.006 0.000 2.561 148 S HA -0.070 4.404 4.470 0.007 0.000 0.294 148 S C 1.534 176.148 174.600 0.023 0.000 1.294 148 S CA -0.218 57.994 58.200 0.021 0.000 1.055 148 S CB 0.210 63.463 63.200 0.088 0.000 0.819 148 S HN 0.695 nan 8.310 nan 0.000 0.503 149 I N -0.972 119.612 120.570 0.023 0.000 3.428 149 I HA 0.494 4.668 4.170 0.007 0.000 0.286 149 I C 0.597 176.731 176.117 0.029 0.000 1.287 149 I CA 0.008 61.321 61.300 0.022 0.000 1.396 149 I CB -0.280 37.734 38.000 0.024 0.000 1.062 149 I HN 0.541 nan 8.210 nan 0.000 0.471 150 A N 0.700 123.545 122.820 0.041 0.000 2.582 150 A HA 0.679 5.003 4.320 0.007 0.000 0.297 150 A C -0.232 177.388 177.584 0.061 0.000 1.059 150 A CA 0.021 52.084 52.037 0.044 0.000 0.705 150 A CB 0.699 19.725 19.000 0.042 0.000 1.279 150 A HN 0.314 nan 8.150 nan 0.000 0.404 151 T N -1.899 112.695 114.554 0.065 0.000 2.812 151 T HA 0.858 5.212 4.350 0.007 0.000 0.294 151 T C -1.194 173.566 174.700 0.099 0.000 1.159 151 T CA -0.696 61.465 62.100 0.102 0.000 1.008 151 T CB 1.455 70.394 68.868 0.117 0.000 1.289 151 T HN 1.963 nan 8.240 nan 0.000 0.514 152 V N 0.378 120.377 119.914 0.141 0.000 2.969 152 V HA 0.573 4.697 4.120 0.007 0.000 0.304 152 V C -0.349 175.870 176.094 0.208 0.000 1.192 152 V CA -0.668 61.723 62.300 0.153 0.000 0.962 152 V CB 2.560 34.472 31.823 0.148 0.000 1.045 152 V HN 1.220 nan 8.190 nan 0.000 0.428 153 S N 4.282 120.106 115.700 0.208 0.000 2.568 153 S HA 0.339 4.813 4.470 0.007 0.000 0.282 153 S C -1.113 173.636 174.600 0.248 0.000 1.338 153 S CA 0.150 58.483 58.200 0.222 0.000 1.045 153 S CB 0.440 63.750 63.200 0.184 0.000 0.873 153 S HN 0.769 nan 8.310 nan 0.000 0.516 154 W N 3.206 124.453 121.300 -0.087 0.000 3.042 154 W HA 0.371 5.035 4.660 0.007 0.000 0.337 154 W C -1.684 174.695 176.519 -0.232 0.000 1.086 154 W CA -1.023 56.063 57.345 -0.430 0.000 1.236 154 W CB 0.940 30.154 29.460 -0.410 0.000 1.381 154 W HN 0.460 nan 8.180 nan 0.000 0.472 155 D N 6.254 126.507 120.400 -0.245 0.000 2.479 155 D HA 0.091 4.735 4.640 0.007 0.000 0.218 155 D C -0.441 175.570 176.300 -0.480 0.000 1.131 155 D CA -0.336 53.523 54.000 -0.235 0.000 0.916 155 D CB 0.520 41.393 40.800 0.121 0.000 1.022 155 D HN 0.488 nan 8.370 nan 0.000 0.515 156 L N 3.035 123.630 121.223 -1.047 0.000 2.534 156 L HA 0.217 4.561 4.340 0.007 0.000 0.271 156 L C -0.336 176.235 176.870 -0.499 0.000 1.178 156 L CA -0.355 53.927 54.840 -0.931 0.000 0.907 156 L CB 0.468 41.708 42.059 -1.366 0.000 1.164 156 L HN 0.288 nan 8.230 nan 0.000 0.482 157 A N 4.805 127.322 122.820 -0.505 0.000 2.391 157 A HA 0.291 4.615 4.320 0.007 0.000 0.316 157 A C 0.209 177.671 177.584 -0.203 0.000 1.381 157 A CA -0.580 51.205 52.037 -0.419 0.000 0.998 157 A CB -0.690 17.907 19.000 -0.671 0.000 1.147 157 A HN 0.848 nan 8.150 nan 0.000 0.545 158 N N 2.080 120.733 118.700 -0.079 0.000 2.359 158 N HA 0.242 4.986 4.740 0.007 0.000 0.261 158 N C 1.412 176.954 175.510 0.053 0.000 1.267 158 N CA 1.935 55.034 53.050 0.081 0.000 0.864 158 N CB 0.272 38.913 38.487 0.256 0.000 1.063 158 N HN 1.199 nan 8.380 nan 0.000 0.474 159 G N 1.969 110.813 108.800 0.073 0.000 2.189 159 G HA2 -0.298 3.666 3.960 0.007 0.000 0.267 159 G HA3 -0.298 3.666 3.960 0.007 0.000 0.267 159 G C 0.019 174.950 174.900 0.051 0.000 0.975 159 G CA 0.579 45.711 45.100 0.053 0.000 0.644 159 G HN 0.635 nan 8.290 nan 0.000 0.537 160 E N 0.304 120.538 120.200 0.057 0.000 2.214 160 E HA 0.432 4.786 4.350 0.007 0.000 0.274 160 E C 0.389 177.097 176.600 0.180 0.000 0.977 160 E CA -0.729 55.723 56.400 0.087 0.000 0.827 160 E CB 0.641 30.366 29.700 0.042 0.000 1.130 160 E HN 0.437 nan 8.360 nan 0.000 0.394 161 N N 0.753 119.547 118.700 0.156 0.000 2.407 161 N HA 0.152 4.896 4.740 0.007 0.000 0.250 161 N C -1.019 174.595 175.510 0.174 0.000 1.236 161 N CA -0.032 53.099 53.050 0.135 0.000 0.879 161 N CB 0.536 39.073 38.487 0.084 0.000 1.088 161 N HN 0.335 nan 8.380 nan 0.000 0.450 162 A N 2.314 125.146 122.820 0.020 0.000 2.304 162 A HA 0.275 4.599 4.320 0.007 0.000 0.314 162 A C -0.621 176.818 177.584 -0.242 0.000 1.187 162 A CA -0.671 51.229 52.037 -0.227 0.000 0.810 162 A CB 0.745 19.563 19.000 -0.304 0.000 1.183 162 A HN 0.660 nan 8.150 nan 0.000 0.487 163 E N 2.436 122.488 120.200 -0.246 0.000 2.073 163 E HA 0.415 4.769 4.350 0.007 0.000 0.269 163 E C -1.064 175.334 176.600 -0.337 0.000 0.917 163 E CA -0.137 56.123 56.400 -0.233 0.000 0.757 163 E CB 1.279 30.907 29.700 -0.120 0.000 1.111 163 E HN 0.622 nan 8.360 nan 0.000 0.410 164 I N 3.131 123.368 120.570 -0.556 0.000 2.488 164 I HA 0.306 4.480 4.170 0.007 0.000 0.299 164 I C -0.661 175.166 176.117 -0.484 0.000 0.984 164 I CA -0.815 60.098 61.300 -0.644 0.000 1.250 164 I CB 1.052 38.330 38.000 -1.202 0.000 1.389 164 I HN 0.344 nan 8.210 nan 0.000 0.488 165 L N 7.482 128.550 121.223 -0.258 0.000 2.439 165 L HA 0.651 4.995 4.340 0.007 0.000 0.270 165 L C -1.389 175.454 176.870 -0.044 0.000 0.972 165 L CA 0.009 54.771 54.840 -0.130 0.000 0.836 165 L CB 1.221 43.227 42.059 -0.089 0.000 1.255 165 L HN 0.429 nan 8.230 nan 0.000 0.404 166 I N 3.922 124.502 120.570 0.016 0.000 2.509 166 I HA 0.721 4.895 4.170 0.007 0.000 0.293 166 I C -0.287 175.851 176.117 0.036 0.000 1.020 166 I CA -0.364 60.987 61.300 0.085 0.000 1.088 166 I CB 2.384 40.516 38.000 0.221 0.000 1.267 166 I HN 0.735 nan 8.210 nan 0.000 0.430 167 T N 1.652 116.157 114.554 -0.082 0.000 2.903 167 T HA 0.563 4.917 4.350 0.007 0.000 0.299 167 T C -1.425 172.998 174.700 -0.460 0.000 1.093 167 T CA -0.804 61.138 62.100 -0.263 0.000 1.002 167 T CB 1.944 70.695 68.868 -0.194 0.000 1.127 167 T HN 0.429 nan 8.240 nan 0.000 0.488 168 Y N 2.297 122.043 120.300 -0.924 0.000 2.346 168 Y HA 0.596 5.150 4.550 0.006 0.000 0.332 168 Y C -0.900 174.679 175.900 -0.536 0.000 0.985 168 Y CA -1.128 56.456 58.100 -0.860 0.000 1.112 168 Y CB 1.679 39.260 38.460 -1.464 0.000 1.170 168 Y HN 0.847 nan 8.280 nan 0.000 0.447 169 N N 4.489 122.629 118.700 -0.935 0.000 2.501 169 N HA 0.321 5.065 4.740 0.007 0.000 0.245 169 N C 0.310 175.393 175.510 -0.712 0.000 0.974 169 N CA 0.457 53.144 53.050 -0.605 0.000 0.941 169 N CB 1.778 40.029 38.487 -0.394 0.000 1.122 169 N HN 0.896 nan 8.380 nan 0.000 0.507 170 A N 3.630 126.215 122.820 -0.392 0.000 2.019 170 A HA -0.035 4.289 4.320 0.007 0.000 0.219 170 A C 1.998 179.505 177.584 -0.129 0.000 1.164 170 A CA 1.720 53.663 52.037 -0.157 0.000 0.644 170 A CB -0.484 18.561 19.000 0.075 0.000 0.805 170 A HN 0.721 nan 8.150 nan 0.000 0.449 171 A N -0.345 122.391 122.820 -0.140 0.000 1.898 171 A HA -0.072 4.252 4.320 0.007 0.000 0.216 171 A C 2.310 179.829 177.584 -0.109 0.000 1.181 171 A CA 2.335 54.315 52.037 -0.096 0.000 0.620 171 A CB -0.942 18.006 19.000 -0.087 0.000 0.819 171 A HN 0.768 nan 8.150 nan 0.000 0.442 172 T N -5.772 108.683 114.554 -0.165 0.000 3.040 172 T HA 0.273 4.627 4.350 0.007 0.000 0.250 172 T C 0.745 175.348 174.700 -0.162 0.000 1.058 172 T CA 0.923 62.936 62.100 -0.144 0.000 0.988 172 T CB 0.135 68.915 68.868 -0.146 0.000 0.993 172 T HN 0.514 nan 8.240 nan 0.000 0.519 173 S N -0.079 115.466 115.700 -0.259 0.000 3.382 173 S HA -0.123 4.351 4.470 0.007 0.000 0.293 173 S C -0.169 174.298 174.600 -0.222 0.000 1.262 173 S CA 0.271 58.346 58.200 -0.210 0.000 0.969 173 S CB -1.721 61.480 63.200 0.002 0.000 1.136 173 S HN 0.628 nan 8.310 nan 0.000 0.635 174 L N 1.626 122.636 121.223 -0.355 0.000 2.276 174 L HA 0.633 4.977 4.340 0.007 0.000 0.286 174 L C -0.111 176.615 176.870 -0.241 0.000 1.061 174 L CA 0.093 54.805 54.840 -0.213 0.000 0.807 174 L CB 1.112 43.069 42.059 -0.169 0.000 1.177 174 L HN 0.407 nan 8.230 nan 0.000 0.429 175 L N 5.856 127.078 121.223 -0.001 0.000 2.282 175 L HA 0.648 4.992 4.340 0.007 0.000 0.288 175 L C -1.183 175.701 176.870 0.022 0.000 1.033 175 L CA -0.517 54.375 54.840 0.087 0.000 0.807 175 L CB 1.373 43.583 42.059 0.251 0.000 1.209 175 L HN 0.384 nan 8.230 nan 0.000 0.423 176 V N 4.363 124.266 119.914 -0.019 0.000 2.588 176 V HA 0.787 4.911 4.120 0.007 0.000 0.304 176 V C -0.201 175.905 176.094 0.021 0.000 1.042 176 V CA -0.515 61.780 62.300 -0.009 0.000 0.877 176 V CB 1.619 33.414 31.823 -0.047 0.000 0.996 176 V HN 0.861 nan 8.190 nan 0.000 0.425 177 A N 3.393 126.238 122.820 0.042 0.000 2.386 177 A HA 1.003 5.327 4.320 0.007 0.000 0.311 177 A C -0.301 177.310 177.584 0.046 0.000 1.068 177 A CA -0.295 51.782 52.037 0.067 0.000 0.743 177 A CB 2.006 21.064 19.000 0.096 0.000 1.258 177 A HN 1.293 nan 8.150 nan 0.000 0.429 178 S N 1.148 116.869 115.700 0.034 0.000 2.556 178 S HA 0.778 5.252 4.470 0.007 0.000 0.271 178 S C -1.231 173.354 174.600 -0.024 0.000 1.135 178 S CA -0.600 57.611 58.200 0.019 0.000 0.858 178 S CB 1.246 64.443 63.200 -0.004 0.000 1.114 178 S HN 1.570 nan 8.310 nan 0.000 0.468 179 L N 2.045 123.266 121.223 -0.003 0.000 2.409 179 L HA 0.928 5.272 4.340 0.007 0.000 0.262 179 L C -1.871 174.989 176.870 -0.016 0.000 0.992 179 L CA -0.740 54.034 54.840 -0.110 0.000 0.817 179 L CB 1.977 43.889 42.059 -0.245 0.000 1.350 179 L HN 0.740 nan 8.230 nan 0.000 0.411 180 V N 2.592 122.433 119.914 -0.121 0.000 2.686 180 V HA 0.347 4.471 4.120 0.007 0.000 0.306 180 V C -1.232 174.812 176.094 -0.084 0.000 1.065 180 V CA -0.483 61.793 62.300 -0.040 0.000 0.894 180 V CB 1.928 33.730 31.823 -0.035 0.000 1.004 180 V HN 0.732 nan 8.190 nan 0.000 0.424 181 H N 6.423 125.571 119.070 0.129 0.000 2.700 181 H HA 0.284 4.844 4.556 0.007 0.000 0.269 181 H C -1.572 173.800 175.328 0.073 0.000 1.222 181 H CA -1.735 54.384 56.048 0.118 0.000 1.254 181 H CB 1.664 31.536 29.762 0.184 0.000 1.413 181 H HN 0.448 nan 8.280 nan 0.000 0.507 182 P HA -0.253 nan 4.420 nan 0.000 0.216 182 P C 1.496 178.848 177.300 0.088 0.000 1.153 182 P CA 1.510 64.663 63.100 0.088 0.000 0.858 182 P CB 0.328 32.064 31.700 0.059 0.000 0.789 183 S N 0.632 116.393 115.700 0.103 0.000 2.370 183 S HA -0.149 4.325 4.470 0.007 0.000 0.226 183 S C 1.822 176.459 174.600 0.061 0.000 1.033 183 S CA 0.975 59.218 58.200 0.071 0.000 1.011 183 S CB -0.909 62.330 63.200 0.065 0.000 0.852 183 S HN 0.187 nan 8.310 nan 0.000 0.457 184 R N 0.718 121.269 120.500 0.084 0.000 2.334 184 R HA 0.319 4.663 4.340 0.007 0.000 0.216 184 R C 0.086 176.427 176.300 0.067 0.000 0.905 184 R CA 0.037 56.177 56.100 0.066 0.000 1.064 184 R CB -0.225 30.114 30.300 0.064 0.000 1.046 184 R HN 0.402 nan 8.270 nan 0.000 0.508 185 R N 0.989 121.534 120.500 0.074 0.000 3.641 185 R HA -0.133 4.211 4.340 0.007 0.000 0.286 185 R C -0.261 176.058 176.300 0.032 0.000 1.153 185 R CA 1.242 57.369 56.100 0.046 0.000 0.775 185 R CB -2.390 27.924 30.300 0.024 0.000 1.215 185 R HN 0.438 nan 8.270 nan 0.000 0.474 186 T N -2.147 112.451 114.554 0.074 0.000 2.902 186 T HA 0.696 5.050 4.350 0.007 0.000 0.283 186 T C 0.153 174.827 174.700 -0.043 0.000 1.009 186 T CA -0.160 61.944 62.100 0.006 0.000 1.051 186 T CB 2.266 71.204 68.868 0.116 0.000 0.999 186 T HN 0.238 nan 8.240 nan 0.000 0.474 187 S N 1.028 116.543 115.700 -0.308 0.000 2.541 187 S HA 0.716 5.190 4.470 0.007 0.000 0.271 187 S C -1.848 172.426 174.600 -0.543 0.000 1.133 187 S CA -1.016 57.034 58.200 -0.250 0.000 0.876 187 S CB 0.862 63.999 63.200 -0.106 0.000 1.105 187 S HN 0.760 nan 8.310 nan 0.000 0.470 188 Y N 0.592 120.912 120.300 0.033 0.000 2.545 188 Y HA 0.808 5.362 4.550 0.007 0.000 0.348 188 Y C -0.319 175.584 175.900 0.006 0.000 1.002 188 Y CA -1.139 56.985 58.100 0.040 0.000 1.039 188 Y CB 1.713 40.214 38.460 0.068 0.000 1.271 188 Y HN 0.908 nan 8.280 nan 0.000 0.467 189 I N 2.775 123.438 120.570 0.156 0.000 2.827 189 I HA 0.681 4.855 4.170 0.007 0.000 0.298 189 I C -2.131 174.032 176.117 0.078 0.000 1.235 189 I CA -1.027 60.323 61.300 0.083 0.000 1.021 189 I CB 2.381 40.403 38.000 0.036 0.000 1.259 189 I HN 0.657 nan 8.210 nan 0.000 0.427 190 L N 6.170 127.425 121.223 0.053 0.000 2.466 190 L HA 0.817 5.161 4.340 0.007 0.000 0.258 190 L C -1.589 175.300 176.870 0.033 0.000 0.973 190 L CA 0.126 54.995 54.840 0.047 0.000 0.826 190 L CB 2.316 44.402 42.059 0.046 0.000 1.372 190 L HN 0.665 nan 8.230 nan 0.000 0.409 191 S N 1.905 117.622 115.700 0.029 0.000 2.533 191 S HA 0.909 5.383 4.470 0.007 0.000 0.271 191 S C -1.158 173.457 174.600 0.025 0.000 1.143 191 S CA -0.624 57.588 58.200 0.020 0.000 0.891 191 S CB 1.999 65.198 63.200 -0.001 0.000 1.105 191 S HN 0.861 nan 8.310 nan 0.000 0.468 192 E N 0.602 120.822 120.200 0.032 0.000 2.375 192 E HA 0.446 4.800 4.350 0.007 0.000 0.280 192 E C -1.234 175.396 176.600 0.049 0.000 0.972 192 E CA -0.526 55.897 56.400 0.038 0.000 0.782 192 E CB 1.824 31.554 29.700 0.050 0.000 1.229 192 E HN 0.778 nan 8.360 nan 0.000 0.439 193 R N 2.060 122.583 120.500 0.038 0.000 2.389 193 R HA 0.559 4.903 4.340 0.007 0.000 0.295 193 R C -1.167 175.190 176.300 0.095 0.000 1.075 193 R CA -0.193 55.937 56.100 0.050 0.000 1.005 193 R CB 0.547 30.860 30.300 0.022 0.000 0.987 193 R HN 0.261 nan 8.270 nan 0.000 0.452 194 V N 4.233 124.249 119.914 0.170 0.000 2.577 194 V HA 0.131 4.255 4.120 0.007 0.000 0.303 194 V C -0.878 175.333 176.094 0.196 0.000 1.042 194 V CA -0.828 61.582 62.300 0.184 0.000 0.872 194 V CB 1.742 33.700 31.823 0.224 0.000 0.998 194 V HN 0.805 nan 8.190 nan 0.000 0.423 195 D N 3.689 124.155 120.400 0.109 0.000 2.558 195 D HA 0.215 4.859 4.640 0.007 0.000 0.221 195 D C 1.039 177.358 176.300 0.033 0.000 1.143 195 D CA -0.025 54.019 54.000 0.074 0.000 1.010 195 D CB 0.500 41.320 40.800 0.033 0.000 1.068 195 D HN 0.507 nan 8.370 nan 0.000 0.511 196 I N 1.623 122.204 120.570 0.019 0.000 2.194 196 I HA -0.323 3.851 4.170 0.007 0.000 0.246 196 I C 2.251 178.282 176.117 -0.143 0.000 1.093 196 I CA 1.795 63.056 61.300 -0.065 0.000 1.355 196 I CB 0.025 37.902 38.000 -0.205 0.000 1.046 196 I HN 0.484 nan 8.210 nan 0.000 0.413 197 T N -2.442 111.925 114.554 -0.311 0.000 3.025 197 T HA -0.181 4.173 4.350 0.007 0.000 0.270 197 T C 1.643 176.142 174.700 -0.335 0.000 1.126 197 T CA 1.449 63.112 62.100 -0.728 0.000 1.105 197 T CB -0.530 67.904 68.868 -0.724 0.000 0.884 197 T HN 0.476 nan 8.240 nan 0.000 0.522 198 N N 0.360 118.985 118.700 -0.125 0.000 2.322 198 N HA -0.019 4.725 4.740 0.007 0.000 0.181 198 N C 1.184 176.727 175.510 0.055 0.000 1.088 198 N CA 0.356 53.397 53.050 -0.016 0.000 0.885 198 N CB 0.404 38.896 38.487 0.008 0.000 1.013 198 N HN 0.436 nan 8.380 nan 0.000 0.472 199 E N 0.125 120.363 120.200 0.063 0.000 2.431 199 E HA 0.225 4.579 4.350 0.007 0.000 0.200 199 E C 0.264 176.921 176.600 0.095 0.000 0.995 199 E CA 0.124 56.589 56.400 0.108 0.000 0.915 199 E CB 1.271 31.052 29.700 0.135 0.000 0.930 199 E HN 0.330 nan 8.360 nan 0.000 0.496 200 L N 1.126 122.415 121.223 0.110 0.000 2.327 200 L HA 0.447 4.791 4.340 0.007 0.000 0.258 200 L C -2.510 174.502 176.870 0.235 0.000 1.024 200 L CA -2.320 52.602 54.840 0.137 0.000 0.825 200 L CB 2.381 44.518 42.059 0.130 0.000 1.386 200 L HN -0.205 nan 8.230 nan 0.000 0.417 201 P HA 0.181 nan 4.420 nan 0.000 0.279 201 P C -0.031 177.222 177.300 -0.079 0.000 1.276 201 P CA -0.377 62.782 63.100 0.098 0.000 0.801 201 P CB 0.964 32.683 31.700 0.031 0.000 1.127 202 E N -0.890 119.079 120.200 -0.384 0.000 2.110 202 E HA -0.143 4.211 4.350 0.007 0.000 0.193 202 E C -0.127 176.049 176.600 -0.708 0.000 0.988 202 E CA 1.358 57.196 56.400 -0.938 0.000 0.804 202 E CB -0.130 29.148 29.700 -0.702 0.000 0.745 202 E HN 0.436 nan 8.360 nan 0.000 0.458 203 Y N -0.724 119.446 120.300 -0.217 0.000 2.393 203 Y HA 0.377 4.930 4.550 0.005 0.000 0.341 203 Y C -0.031 175.793 175.900 -0.126 0.000 0.988 203 Y CA -1.073 56.941 58.100 -0.143 0.000 1.078 203 Y CB 1.786 40.173 38.460 -0.120 0.000 1.203 203 Y HN -0.244 nan 8.280 nan 0.000 0.453 204 V N -1.553 118.366 119.914 0.007 0.000 3.181 204 V HA 0.764 4.888 4.120 0.007 0.000 0.308 204 V C -0.664 175.370 176.094 -0.100 0.000 1.214 204 V CA -0.968 61.286 62.300 -0.076 0.000 1.053 204 V CB 1.956 33.712 31.823 -0.112 0.000 1.069 204 V HN 0.614 nan 8.190 nan 0.000 0.441 205 S N 0.831 116.418 115.700 -0.189 0.000 2.509 205 S HA 0.829 5.303 4.470 0.007 0.000 0.297 205 S C -0.329 174.211 174.600 -0.100 0.000 1.118 205 S CA -0.319 57.776 58.200 -0.175 0.000 1.074 205 S CB 1.504 64.445 63.200 -0.432 0.000 1.038 205 S HN 1.645 nan 8.310 nan 0.000 0.498 206 V N 0.220 120.160 119.914 0.042 0.000 2.628 206 V HA 1.097 5.221 4.120 0.007 0.000 0.306 206 V C 0.274 176.495 176.094 0.211 0.000 1.045 206 V CA -0.089 62.183 62.300 -0.046 0.000 0.905 206 V CB 0.886 32.535 31.823 -0.291 0.000 0.997 206 V HN 1.070 nan 8.190 nan 0.000 0.436 207 G N 2.692 111.270 108.800 -0.369 0.000 2.392 207 G HA2 0.510 4.474 3.960 0.007 0.000 0.260 207 G HA3 0.510 4.474 3.960 0.007 0.000 0.260 207 G C -1.779 172.239 174.900 -1.471 0.000 1.226 207 G CA -0.615 43.925 45.100 -0.933 0.000 0.913 207 G HN 0.789 nan 8.290 nan 0.000 0.483 208 F N -0.051 119.358 119.950 -0.901 0.000 2.598 208 F HA 0.865 5.396 4.527 0.007 0.000 0.327 208 F C 0.509 175.944 175.800 -0.610 0.000 1.057 208 F CA -0.939 56.654 58.000 -0.677 0.000 0.957 208 F CB 2.567 41.172 39.000 -0.657 0.000 1.278 208 F HN 0.483 nan 8.300 nan 0.000 0.484 209 S N 0.607 116.206 115.700 -0.168 0.000 2.575 209 S HA 0.879 5.353 4.470 0.007 0.000 0.278 209 S C -1.470 173.043 174.600 -0.145 0.000 1.139 209 S CA -0.355 57.747 58.200 -0.163 0.000 0.954 209 S CB 1.243 64.374 63.200 -0.115 0.000 1.054 209 S HN 1.016 nan 8.310 nan 0.000 0.483 210 A N 2.580 125.282 122.820 -0.196 0.000 2.549 210 A HA 0.894 5.218 4.320 0.007 0.000 0.297 210 A C -0.457 176.988 177.584 -0.231 0.000 1.061 210 A CA -0.629 51.202 52.037 -0.343 0.000 0.690 210 A CB 1.610 20.205 19.000 -0.675 0.000 1.287 210 A HN 1.028 nan 8.150 nan 0.000 0.402 211 T N -1.124 113.324 114.554 -0.177 0.000 2.896 211 T HA 0.841 5.195 4.350 0.007 0.000 0.297 211 T C -0.023 174.764 174.700 0.144 0.000 1.108 211 T CA -0.064 62.041 62.100 0.008 0.000 1.004 211 T CB 1.436 70.341 68.868 0.061 0.000 1.159 211 T HN 1.400 nan 8.240 nan 0.000 0.499 212 T N -0.985 113.671 114.554 0.171 0.000 2.948 212 T HA 0.761 5.115 4.350 0.007 0.000 0.285 212 T C 0.886 175.688 174.700 0.169 0.000 1.019 212 T CA -0.573 61.655 62.100 0.213 0.000 1.013 212 T CB 0.934 69.904 68.868 0.170 0.000 1.117 212 T HN 1.061 nan 8.240 nan 0.000 0.533 213 G N -0.328 108.584 108.800 0.186 0.000 2.664 213 G HA2 0.399 4.363 3.960 0.007 0.000 0.242 213 G HA3 0.399 4.363 3.960 0.007 0.000 0.242 213 G C 0.518 175.493 174.900 0.125 0.000 1.225 213 G CA -0.820 44.379 45.100 0.165 0.000 0.849 213 G HN 0.796 nan 8.290 nan 0.000 0.581 214 L N 0.421 121.692 121.223 0.079 0.000 2.591 214 L HA 0.159 4.503 4.340 0.007 0.000 0.228 214 L C 0.905 177.817 176.870 0.070 0.000 1.133 214 L CA 0.146 55.026 54.840 0.067 0.000 0.880 214 L CB -0.245 41.844 42.059 0.050 0.000 1.033 214 L HN 0.244 nan 8.230 nan 0.000 0.450 215 S N -1.116 114.651 115.700 0.111 0.000 2.621 215 S HA 0.237 4.711 4.470 0.007 0.000 0.302 215 S C 0.808 175.512 174.600 0.174 0.000 1.093 215 S CA -0.760 57.532 58.200 0.154 0.000 1.017 215 S CB 2.164 65.501 63.200 0.230 0.000 1.077 215 S HN 0.013 nan 8.310 nan 0.000 0.517 216 E N 1.578 121.850 120.200 0.121 0.000 2.171 216 E HA -0.114 4.240 4.350 0.007 0.000 0.197 216 E C 1.553 178.173 176.600 0.033 0.000 0.997 216 E CA 1.176 57.616 56.400 0.067 0.000 0.810 216 E CB -0.392 29.331 29.700 0.039 0.000 0.738 216 E HN 0.825 nan 8.360 nan 0.000 0.467 217 G N -1.477 107.339 108.800 0.026 0.000 3.453 217 G HA2 0.018 3.982 3.960 0.007 0.000 0.263 217 G HA3 0.018 3.982 3.960 0.007 0.000 0.263 217 G C -0.277 174.426 174.900 -0.328 0.000 1.060 217 G CA -0.323 44.682 45.100 -0.158 0.000 0.793 217 G HN 0.056 nan 8.290 nan 0.000 0.532 218 Y N 1.720 122.010 120.300 -0.016 0.000 2.931 218 Y HA 0.518 5.072 4.550 0.007 0.000 0.330 218 Y C 0.361 176.272 175.900 0.018 0.000 1.115 218 Y CA -1.117 56.983 58.100 -0.000 0.000 1.283 218 Y CB 0.155 38.630 38.460 0.024 0.000 1.215 218 Y HN 0.163 nan 8.280 nan 0.000 0.534 219 I N -0.435 120.160 120.570 0.043 0.000 2.894 219 I HA 0.817 4.991 4.170 0.007 0.000 0.302 219 I C -1.131 174.986 176.117 0.000 0.000 1.188 219 I CA -1.177 60.150 61.300 0.045 0.000 1.014 219 I CB 2.972 40.978 38.000 0.009 0.000 1.242 219 I HN 0.363 nan 8.210 nan 0.000 0.430 220 E N 1.921 122.126 120.200 0.008 0.000 2.416 220 E HA 0.451 4.805 4.350 0.007 0.000 0.280 220 E C -1.510 174.965 176.600 -0.207 0.000 1.055 220 E CA -0.827 55.539 56.400 -0.057 0.000 0.825 220 E CB 2.105 31.836 29.700 0.052 0.000 1.312 220 E HN 0.767 nan 8.360 nan 0.000 0.452 221 T N -1.129 113.283 114.554 -0.237 0.000 2.934 221 T HA 0.451 4.805 4.350 0.007 0.000 0.283 221 T C -0.448 173.977 174.700 -0.458 0.000 1.005 221 T CA -0.660 61.297 62.100 -0.239 0.000 1.041 221 T CB 0.933 69.741 68.868 -0.100 0.000 1.042 221 T HN 0.505 nan 8.240 nan 0.000 0.505 222 H N 1.796 120.850 119.070 -0.025 0.000 3.036 222 H HA 0.361 4.922 4.556 0.007 0.000 0.295 222 H C -1.255 173.985 175.328 -0.147 0.000 1.124 222 H CA -0.683 55.324 56.048 -0.069 0.000 1.507 222 H CB 0.894 30.610 29.762 -0.077 0.000 1.591 222 H HN 0.640 nan 8.280 nan 0.000 0.510 223 D N 2.489 122.851 120.400 -0.064 0.000 2.278 223 D HA 0.247 4.891 4.640 0.007 0.000 0.245 223 D C 0.080 176.259 176.300 -0.201 0.000 1.052 223 D CA -0.549 53.368 54.000 -0.139 0.000 0.834 223 D CB 3.095 43.844 40.800 -0.084 0.000 1.194 223 D HN 0.127 nan 8.370 nan 0.000 0.481 224 V N 3.552 123.254 119.914 -0.355 0.000 2.370 224 V HA 0.194 4.318 4.120 0.007 0.000 0.279 224 V C 1.296 177.281 176.094 -0.181 0.000 1.029 224 V CA -0.423 61.645 62.300 -0.388 0.000 0.870 224 V CB 1.412 32.743 31.823 -0.820 0.000 0.984 224 V HN 0.490 nan 8.190 nan 0.000 0.451 225 L N 3.495 124.753 121.223 0.059 0.000 2.513 225 L HA 0.279 4.623 4.340 0.007 0.000 0.222 225 L C 0.756 177.888 176.870 0.437 0.000 1.096 225 L CA 0.472 55.441 54.840 0.215 0.000 0.857 225 L CB 0.345 42.486 42.059 0.137 0.000 1.026 225 L HN 0.812 nan 8.230 nan 0.000 0.469 226 S N -2.004 114.005 115.700 0.515 0.000 2.565 226 S HA 0.475 4.949 4.470 0.007 0.000 0.274 226 S C -2.168 172.880 174.600 0.747 0.000 1.144 226 S CA -0.763 57.772 58.200 0.558 0.000 0.849 226 S CB 2.003 65.400 63.200 0.328 0.000 1.103 226 S HN 0.155 nan 8.310 nan 0.000 0.455 227 W N 1.871 123.491 121.300 0.533 0.000 3.425 227 W HA 0.742 5.406 4.660 0.006 0.000 0.318 227 W C -1.703 175.111 176.519 0.490 0.000 1.201 227 W CA -0.346 57.376 57.345 0.627 0.000 1.212 227 W CB 1.680 31.671 29.460 0.885 0.000 1.355 227 W HN 0.903 nan 8.180 nan 0.000 0.515 228 S N 4.752 120.658 115.700 0.342 0.000 2.548 228 S HA 0.825 5.299 4.470 0.007 0.000 0.286 228 S C -1.820 172.567 174.600 -0.355 0.000 1.098 228 S CA -0.541 57.570 58.200 -0.149 0.000 0.930 228 S CB 2.231 65.405 63.200 -0.043 0.000 1.070 228 S HN 0.342 nan 8.310 nan 0.000 0.480 229 F N 1.040 120.382 119.950 -1.013 0.000 2.608 229 F HA 0.735 5.266 4.527 0.006 0.000 0.309 229 F C -1.386 174.033 175.800 -0.635 0.000 1.103 229 F CA -0.274 57.226 58.000 -0.834 0.000 0.954 229 F CB 1.304 39.535 39.000 -1.282 0.000 1.267 229 F HN 0.774 nan 8.300 nan 0.000 0.444 230 A N 3.216 125.412 122.820 -1.040 0.000 2.488 230 A HA 0.724 5.048 4.320 0.007 0.000 0.298 230 A C -1.584 175.653 177.584 -0.579 0.000 1.044 230 A CA -0.411 51.285 52.037 -0.569 0.000 0.693 230 A CB 1.743 20.549 19.000 -0.323 0.000 1.272 230 A HN 0.885 nan 8.150 nan 0.000 0.402 231 S N 1.205 116.788 115.700 -0.195 0.000 2.541 231 S HA 0.733 5.207 4.470 0.007 0.000 0.280 231 S C -1.332 173.316 174.600 0.081 0.000 1.112 231 S CA -0.544 57.675 58.200 0.032 0.000 0.925 231 S CB 1.401 64.744 63.200 0.238 0.000 1.067 231 S HN 0.713 nan 8.310 nan 0.000 0.479 232 K N 3.730 124.198 120.400 0.113 0.000 2.578 232 K HA 0.424 4.748 4.320 0.007 0.000 0.250 232 K C -1.966 174.699 176.600 0.109 0.000 0.955 232 K CA -0.661 55.678 56.287 0.085 0.000 0.825 232 K CB 1.367 33.895 32.500 0.046 0.000 1.151 232 K HN 0.583 nan 8.250 nan 0.000 0.432 233 L N 6.796 128.077 121.223 0.096 0.000 2.276 233 L HA 0.484 4.828 4.340 0.007 0.000 0.286 233 L C -2.517 174.394 176.870 0.069 0.000 1.024 233 L CA -1.806 53.090 54.840 0.093 0.000 0.826 233 L CB 1.041 43.147 42.059 0.078 0.000 1.211 233 L HN 0.459 nan 8.230 nan 0.000 0.422 234 P HA 0.185 nan 4.420 nan 0.000 0.274 234 P C -1.000 176.328 177.300 0.047 0.000 1.260 234 P CA -0.304 62.826 63.100 0.050 0.000 0.793 234 P CB 0.595 32.323 31.700 0.046 0.000 1.048 235 D N 0.000 120.423 120.400 0.038 0.000 6.856 235 D HA 0.000 4.644 4.640 0.007 0.000 0.175 235 D CA 0.000 54.022 54.000 0.036 0.000 0.868 235 D CB 0.000 40.818 40.800 0.029 0.000 0.688 235 D HN 0.000 nan 8.370 nan 0.000 0.683