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 2hg3_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 0.000 177.615 177.584 0.051 0.000 1.274 1 A CA 0.000 52.058 52.037 0.034 0.000 0.836 1 A CB 0.000 19.020 19.000 0.034 0.000 0.831 2 E N 0.523 120.749 120.200 0.043 0.000 2.481 2 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 2 E C -0.522 176.135 176.600 0.094 0.000 0.992 2 E CA 0.516 56.952 56.400 0.060 0.000 0.938 2 E CB 0.378 30.092 29.700 0.023 0.000 0.933 2 E HN 0.624 nan 8.360 nan 0.000 0.453 3 Y N 2.335 122.630 120.300 -0.008 0.000 2.359 3 Y HA 0.003 4.553 4.550 -0.000 0.000 0.330 3 Y C 0.618 176.510 175.900 -0.013 0.000 1.143 3 Y CA -0.093 58.007 58.100 -0.001 0.000 1.318 3 Y CB 0.860 39.321 38.460 0.002 0.000 1.234 3 Y HN 0.419 nan 8.280 nan 0.000 0.522 4 Q N 3.374 122.799 119.800 -0.626 0.000 2.319 4 Q HA 0.025 4.365 4.340 -0.000 0.000 0.209 4 Q C 0.247 175.833 176.000 -0.691 0.000 0.884 4 Q CA 0.478 55.963 55.803 -0.530 0.000 0.938 4 Q CB -0.111 28.462 28.738 -0.275 0.000 1.098 4 Q HN 0.915 nan 8.270 nan 0.000 0.517 5 N N -0.053 117.899 118.700 -1.246 0.000 2.776 5 N HA -0.160 4.580 4.740 -0.000 0.000 0.250 5 N C 0.295 175.582 175.510 -0.371 0.000 1.112 5 N CA 0.303 52.934 53.050 -0.698 0.000 0.733 5 N CB -0.865 37.393 38.487 -0.381 0.000 1.097 5 N HN 0.144 nan 8.380 nan 0.000 0.558 6 I N -1.147 119.190 120.570 -0.388 0.000 2.400 6 I HA 0.089 4.259 4.170 -0.000 0.000 0.248 6 I C 0.934 176.706 176.117 -0.574 0.000 1.109 6 I CA 1.182 62.203 61.300 -0.465 0.000 1.425 6 I CB -0.641 37.037 38.000 -0.537 0.000 1.094 6 I HN 0.039 nan 8.210 nan 0.000 0.425 7 F N -0.291 119.753 119.950 0.157 0.000 2.575 7 F HA 0.469 4.996 4.527 -0.000 0.000 0.330 7 F C 0.849 176.860 175.800 0.351 0.000 1.056 7 F CA -0.947 57.222 58.000 0.281 0.000 0.964 7 F CB 0.715 39.868 39.000 0.255 0.000 1.258 7 F HN -0.380 nan 8.300 nan 0.000 0.484 8 S N 0.412 116.487 115.700 0.624 0.000 2.562 8 S HA 0.184 4.654 4.470 -0.000 0.000 0.275 8 S C 0.720 175.617 174.600 0.495 0.000 1.281 8 S CA -0.633 57.865 58.200 0.497 0.000 1.045 8 S CB 1.435 64.854 63.200 0.365 0.000 0.962 8 S HN 0.645 nan 8.310 nan 0.000 0.503 9 Q N 0.676 120.621 119.800 0.242 0.000 2.137 9 Q HA 0.070 4.410 4.340 -0.000 0.000 0.198 9 Q C -0.240 175.908 176.000 0.248 0.000 0.960 9 Q CA 0.855 56.745 55.803 0.145 0.000 0.847 9 Q CB 0.162 28.813 28.738 -0.146 0.000 0.915 9 Q HN 0.449 nan 8.270 nan 0.000 0.448 10 V N 1.417 121.433 119.914 0.171 0.000 2.623 10 V HA 0.219 4.339 4.120 -0.000 0.000 0.304 10 V C -0.805 175.305 176.094 0.027 0.000 1.054 10 V CA -0.861 61.504 62.300 0.107 0.000 0.882 10 V CB 1.839 33.679 31.823 0.029 0.000 1.002 10 V HN 0.109 nan 8.190 nan 0.000 0.424 11 Q N 2.567 122.320 119.800 -0.079 0.000 2.230 11 Q HA 0.720 5.060 4.340 -0.000 0.000 0.253 11 Q C -0.491 175.444 176.000 -0.108 0.000 0.919 11 Q CA -0.665 55.047 55.803 -0.152 0.000 0.908 11 Q CB 2.594 31.131 28.738 -0.335 0.000 1.245 11 Q HN 0.782 nan 8.270 nan 0.000 0.437 12 V N -0.430 119.431 119.914 -0.088 0.000 2.815 12 V HA 0.765 4.885 4.120 -0.000 0.000 0.314 12 V C -0.638 175.395 176.094 -0.103 0.000 1.064 12 V CA -1.025 61.225 62.300 -0.083 0.000 0.952 12 V CB 1.973 33.761 31.823 -0.057 0.000 1.020 12 V HN 0.825 nan 8.190 nan 0.000 0.439 13 R N 1.296 121.720 120.500 -0.127 0.000 2.744 13 R HA 0.797 5.137 4.340 -0.000 0.000 0.279 13 R C -0.201 176.008 176.300 -0.153 0.000 0.977 13 R CA 0.086 56.081 56.100 -0.174 0.000 0.906 13 R CB 2.256 32.374 30.300 -0.302 0.000 1.197 13 R HN 1.195 nan 8.270 nan 0.000 0.463 14 G N 1.950 110.668 108.800 -0.135 0.000 3.176 14 G HA2 0.540 4.500 3.960 -0.000 0.000 0.272 14 G HA3 0.540 4.500 3.960 -0.000 0.000 0.272 14 G C -2.568 172.277 174.900 -0.091 0.000 1.349 14 G CA -1.132 43.911 45.100 -0.095 0.000 0.953 14 G HN 0.462 nan 8.290 nan 0.000 0.559 15 P HA 0.370 nan 4.420 nan 0.000 0.264 15 P C 0.244 177.603 177.300 0.097 0.000 1.193 15 P CA 0.019 63.126 63.100 0.011 0.000 0.763 15 P CB 0.533 32.240 31.700 0.012 0.000 0.810 16 A N 2.940 125.884 122.820 0.206 0.000 2.600 16 A HA -0.082 4.237 4.320 -0.000 0.000 0.244 16 A C 0.566 178.230 177.584 0.133 0.000 1.016 16 A CA 0.413 52.625 52.037 0.292 0.000 0.778 16 A CB -0.477 18.662 19.000 0.231 0.000 0.920 16 A HN 0.533 nan 8.150 nan 0.000 0.513 17 D N 2.643 123.110 120.400 0.112 0.000 2.339 17 D HA 0.290 4.930 4.640 -0.000 0.000 0.241 17 D C 0.698 177.010 176.300 0.021 0.000 1.183 17 D CA -0.056 53.976 54.000 0.052 0.000 0.859 17 D CB 0.621 41.448 40.800 0.045 0.000 1.067 17 D HN 0.489 nan 8.370 nan 0.000 0.484 18 L N 2.993 124.226 121.223 0.016 0.000 2.592 18 L HA 0.250 4.590 4.340 -0.000 0.000 0.227 18 L C 1.317 178.187 176.870 -0.000 0.000 1.127 18 L CA 0.101 54.944 54.840 0.006 0.000 0.884 18 L CB -0.505 41.560 42.059 0.009 0.000 1.065 18 L HN 0.617 nan 8.230 nan 0.000 0.457 19 G N 0.227 109.024 108.800 -0.004 0.000 2.758 19 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.686 19 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.686 19 G C -0.347 174.544 174.900 -0.015 0.000 1.389 19 G CA -0.966 44.127 45.100 -0.013 0.000 0.845 19 G HN -0.127 nan 8.290 nan 0.000 0.572 20 M N 0.594 120.179 119.600 -0.025 0.000 2.248 20 M HA 0.275 4.755 4.480 -0.000 0.000 0.337 20 M C 1.698 177.980 176.300 -0.032 0.000 1.121 20 M CA 0.642 55.924 55.300 -0.029 0.000 1.155 20 M CB 0.179 32.755 32.600 -0.040 0.000 1.514 20 M HN 0.698 nan 8.290 nan 0.000 0.452 21 T N -0.041 114.496 114.554 -0.028 0.000 2.980 21 T HA 0.044 4.394 4.350 -0.000 0.000 0.239 21 T C 0.758 175.436 174.700 -0.037 0.000 1.011 21 T CA 0.064 62.150 62.100 -0.024 0.000 1.171 21 T CB 0.249 69.108 68.868 -0.014 0.000 0.873 21 T HN 0.602 nan 8.240 nan 0.000 0.431 22 E N 1.178 121.355 120.200 -0.038 0.000 3.360 22 E HA -0.221 4.129 4.350 -0.000 0.000 0.397 22 E C 0.040 176.615 176.600 -0.042 0.000 1.549 22 E CA 1.711 58.084 56.400 -0.045 0.000 1.539 22 E CB -1.259 28.405 29.700 -0.062 0.000 1.621 22 E HN 0.392 nan 8.360 nan 0.000 0.465 23 D N 1.016 121.382 120.400 -0.056 0.000 2.388 23 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 23 D C -0.159 176.110 176.300 -0.053 0.000 1.133 23 D CA 0.078 54.048 54.000 -0.049 0.000 0.831 23 D CB 0.309 41.077 40.800 -0.054 0.000 0.962 23 D HN -0.077 nan 8.370 nan 0.000 0.502 24 V N 1.839 121.720 119.914 -0.056 0.000 2.614 24 V HA 0.007 4.127 4.120 -0.000 0.000 0.291 24 V C 0.771 176.886 176.094 0.035 0.000 1.049 24 V CA -0.683 61.583 62.300 -0.056 0.000 1.038 24 V CB 1.215 32.992 31.823 -0.076 0.000 0.980 24 V HN 0.077 nan 8.190 nan 0.000 0.481 25 N N 4.309 123.077 118.700 0.114 0.000 2.399 25 N HA 0.137 4.877 4.740 -0.000 0.000 0.259 25 N C 0.679 176.292 175.510 0.172 0.000 1.160 25 N CA 0.114 53.248 53.050 0.139 0.000 0.946 25 N CB 0.540 39.120 38.487 0.155 0.000 1.156 25 N HN 0.646 nan 8.380 nan 0.000 0.489 26 L N 2.371 123.642 121.223 0.081 0.000 2.465 26 L HA -0.025 4.315 4.340 -0.000 0.000 0.224 26 L C 1.960 178.835 176.870 0.008 0.000 1.145 26 L CA 0.636 55.509 54.840 0.055 0.000 0.834 26 L CB -0.328 41.748 42.059 0.027 0.000 0.944 26 L HN 0.572 nan 8.230 nan 0.000 0.451 27 A N 0.318 123.133 122.820 -0.008 0.000 2.066 27 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 27 A C 1.727 179.242 177.584 -0.114 0.000 1.157 27 A CA 1.192 53.202 52.037 -0.046 0.000 0.670 27 A CB -0.544 18.434 19.000 -0.036 0.000 0.804 27 A HN 0.510 nan 8.150 nan 0.000 0.453 28 N N -0.878 117.706 118.700 -0.194 0.000 2.336 28 N HA 0.078 4.818 4.740 -0.000 0.000 0.189 28 N C 0.203 175.424 175.510 -0.481 0.000 1.113 28 N CA -0.135 52.631 53.050 -0.473 0.000 0.858 28 N CB 0.247 38.166 38.487 -0.946 0.000 0.970 28 N HN 0.294 nan 8.380 nan 0.000 0.471 29 R N 1.215 121.603 120.500 -0.186 0.000 2.297 29 R HA 0.198 4.538 4.340 -0.000 0.000 0.308 29 R C 0.502 176.760 176.300 -0.069 0.000 1.029 29 R CA -0.304 55.752 56.100 -0.072 0.000 0.929 29 R CB 1.132 31.449 30.300 0.028 0.000 1.046 29 R HN 0.168 nan 8.270 nan 0.000 0.461 30 S N 1.544 117.209 115.700 -0.059 0.000 2.641 30 S HA 0.201 4.671 4.470 -0.000 0.000 0.251 30 S C 0.709 175.290 174.600 -0.032 0.000 1.332 30 S CA -0.503 57.670 58.200 -0.046 0.000 0.968 30 S CB 0.631 63.808 63.200 -0.039 0.000 0.987 30 S HN 0.636 nan 8.310 nan 0.000 0.587 31 G N -0.727 108.055 108.800 -0.029 0.000 2.528 31 G HA2 0.509 4.469 3.960 -0.000 0.000 0.289 31 G HA3 0.509 4.469 3.960 -0.000 0.000 0.289 31 G C 0.115 174.991 174.900 -0.039 0.000 1.192 31 G CA -0.521 44.564 45.100 -0.025 0.000 0.921 31 G HN 1.430 nan 8.290 nan 0.000 0.512 32 V N -0.470 119.416 119.914 -0.047 0.000 2.999 32 V HA 0.570 4.690 4.120 -0.000 0.000 0.307 32 V C 1.135 177.163 176.094 -0.109 0.000 1.084 32 V CA -0.065 62.176 62.300 -0.099 0.000 1.155 32 V CB 0.252 31.995 31.823 -0.134 0.000 0.975 32 V HN 0.932 nan 8.190 nan 0.000 0.490 33 G N 2.812 111.515 108.800 -0.162 0.000 2.510 33 G HA2 0.612 4.572 3.960 -0.000 0.000 0.280 33 G HA3 0.612 4.572 3.960 -0.000 0.000 0.280 33 G C -2.315 172.466 174.900 -0.198 0.000 1.386 33 G CA -1.026 43.991 45.100 -0.139 0.000 1.047 33 G HN 0.828 nan 8.290 nan 0.000 0.527 34 P HA 0.319 nan 4.420 nan 0.000 0.274 34 P C -1.189 175.997 177.300 -0.189 0.000 1.256 34 P CA -0.282 62.780 63.100 -0.063 0.000 0.795 34 P CB 0.730 32.432 31.700 0.003 0.000 1.038 35 F N -0.542 119.398 119.950 -0.018 0.000 2.421 35 F HA 0.334 4.861 4.527 -0.000 0.000 0.337 35 F C 1.229 177.012 175.800 -0.029 0.000 1.105 35 F CA -0.209 57.774 58.000 -0.027 0.000 1.049 35 F CB 1.459 40.436 39.000 -0.039 0.000 1.139 35 F HN 0.106 nan 8.300 nan 0.000 0.479 36 S N 1.712 117.484 115.700 0.120 0.000 2.520 36 S HA 0.199 4.669 4.470 -0.000 0.000 0.324 36 S C 0.834 175.446 174.600 0.020 0.000 1.069 36 S CA -0.528 57.709 58.200 0.062 0.000 1.121 36 S CB 0.719 63.944 63.200 0.041 0.000 0.971 36 S HN 0.741 nan 8.310 nan 0.000 0.463 37 T N 5.331 119.874 114.554 -0.019 0.000 2.803 37 T HA -0.120 4.229 4.350 -0.000 0.000 0.269 37 T C 1.693 176.283 174.700 -0.183 0.000 1.052 37 T CA 1.561 63.565 62.100 -0.161 0.000 1.136 37 T CB -0.324 68.476 68.868 -0.112 0.000 0.864 37 T HN 0.614 nan 8.240 nan 0.000 0.467 38 L N 0.447 121.688 121.223 0.030 0.000 1.976 38 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 38 L C 2.323 179.294 176.870 0.167 0.000 1.071 38 L CA 1.465 56.408 54.840 0.171 0.000 0.746 38 L CB -0.346 41.800 42.059 0.146 0.000 0.890 38 L HN 0.247 nan 8.230 nan 0.000 0.432 39 L N -0.763 120.524 121.223 0.107 0.000 2.081 39 L HA -0.220 4.119 4.340 -0.000 0.000 0.212 39 L C 2.501 179.454 176.870 0.139 0.000 1.080 39 L CA 1.352 56.278 54.840 0.144 0.000 0.754 39 L CB -1.329 40.790 42.059 0.099 0.000 0.893 39 L HN 0.495 nan 8.230 nan 0.000 0.433 40 G N -0.774 108.011 108.800 -0.025 0.000 2.499 40 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.221 40 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.221 40 G C 1.103 175.919 174.900 -0.140 0.000 1.109 40 G CA 0.453 45.469 45.100 -0.139 0.000 0.749 40 G HN 0.464 nan 8.290 nan 0.000 0.568 41 W N -1.202 120.209 121.300 0.185 0.000 2.392 41 W HA 0.159 4.819 4.660 -0.000 0.000 0.279 41 W C 1.979 178.750 176.519 0.421 0.000 1.225 41 W CA -0.015 57.484 57.345 0.256 0.000 1.233 41 W CB -0.194 29.378 29.460 0.186 0.000 1.122 41 W HN 0.175 nan 8.180 nan 0.000 0.561 42 F N -0.995 119.190 119.950 0.391 0.000 2.592 42 F HA 0.435 4.962 4.527 -0.000 0.000 0.280 42 F C 1.373 177.263 175.800 0.150 0.000 1.083 42 F CA 1.145 59.328 58.000 0.305 0.000 1.365 42 F CB -0.208 38.974 39.000 0.303 0.000 1.100 42 F HN -0.236 nan 8.300 nan 0.000 0.633 43 G N -0.544 108.357 108.800 0.168 0.000 2.976 43 G HA2 0.191 4.151 3.960 -0.000 0.000 0.276 43 G HA3 0.191 4.151 3.960 -0.000 0.000 0.276 43 G C -1.299 173.633 174.900 0.053 0.000 1.207 43 G CA -0.848 44.276 45.100 0.040 0.000 0.803 43 G HN -0.090 nan 8.290 nan 0.000 0.572 44 N N 0.559 119.282 118.700 0.040 0.000 2.492 44 N HA 0.337 5.076 4.740 -0.000 0.000 0.260 44 N C 1.111 176.650 175.510 0.048 0.000 1.215 44 N CA 0.489 53.561 53.050 0.037 0.000 0.923 44 N CB 1.710 40.212 38.487 0.026 0.000 1.092 44 N HN 0.574 nan 8.380 nan 0.000 0.448 45 A N 2.119 124.978 122.820 0.066 0.000 2.072 45 A HA -0.082 4.237 4.320 -0.000 0.000 0.216 45 A C 0.967 178.596 177.584 0.075 0.000 1.156 45 A CA 0.545 52.639 52.037 0.095 0.000 0.701 45 A CB -0.139 18.941 19.000 0.132 0.000 0.816 45 A HN 0.751 nan 8.150 nan 0.000 0.458 46 Q N 0.918 120.719 119.800 0.002 0.000 2.288 46 Q HA 0.410 4.749 4.340 -0.000 0.000 0.258 46 Q C -1.117 174.727 176.000 -0.259 0.000 0.957 46 Q CA -0.302 55.289 55.803 -0.353 0.000 0.919 46 Q CB 0.436 28.996 28.738 -0.296 0.000 1.185 46 Q HN 0.317 nan 8.270 nan 0.000 0.408 47 L N 3.618 124.644 121.223 -0.327 0.000 2.322 47 L HA 0.578 4.917 4.340 -0.000 0.000 0.279 47 L C 0.864 177.610 176.870 -0.207 0.000 1.036 47 L CA 0.512 55.236 54.840 -0.193 0.000 0.807 47 L CB 0.643 42.618 42.059 -0.140 0.000 1.226 47 L HN 1.039 nan 8.230 nan 0.000 0.433 48 G N 4.004 112.732 108.800 -0.121 0.000 2.806 48 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.236 48 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.236 48 G C -2.755 172.088 174.900 -0.095 0.000 1.387 48 G CA -0.806 44.239 45.100 -0.093 0.000 0.884 48 G HN 0.471 nan 8.290 nan 0.000 0.560 49 P HA 0.583 nan 4.420 nan 0.000 0.276 49 P C -0.140 177.153 177.300 -0.012 0.000 1.261 49 P CA -0.516 62.561 63.100 -0.037 0.000 0.800 49 P CB 1.119 32.805 31.700 -0.023 0.000 1.066 50 I N 0.306 120.876 120.570 -0.000 0.000 2.648 50 I HA 0.372 4.542 4.170 -0.000 0.000 0.304 50 I C -0.828 175.318 176.117 0.049 0.000 1.009 50 I CA -1.404 59.913 61.300 0.030 0.000 1.114 50 I CB 1.511 39.530 38.000 0.031 0.000 1.293 50 I HN 0.226 nan 8.210 nan 0.000 0.449 51 Y N 7.272 127.542 120.300 -0.051 0.000 2.308 51 Y HA 0.522 5.072 4.550 -0.000 0.000 0.329 51 Y C -1.130 174.738 175.900 -0.054 0.000 1.111 51 Y CA -0.366 57.697 58.100 -0.061 0.000 1.179 51 Y CB 0.948 39.354 38.460 -0.090 0.000 1.201 51 Y HN 0.371 nan 8.280 nan 0.000 0.483 52 L N 6.859 127.817 121.223 -0.442 0.000 2.563 52 L HA 0.373 4.713 4.340 -0.000 0.000 0.259 52 L C -0.075 176.579 176.870 -0.361 0.000 1.034 52 L CA 0.008 54.713 54.840 -0.226 0.000 0.899 52 L CB 0.725 42.719 42.059 -0.107 0.000 1.159 52 L HN 0.933 nan 8.230 nan 0.000 0.456 53 G N 1.149 109.789 108.800 -0.267 0.000 2.606 53 G HA2 0.356 4.316 3.960 -0.000 0.000 0.262 53 G HA3 0.356 4.316 3.960 -0.000 0.000 0.262 53 G C 0.849 175.724 174.900 -0.042 0.000 1.394 53 G CA 0.205 45.212 45.100 -0.156 0.000 1.044 53 G HN 0.503 nan 8.290 nan 0.000 0.553 54 S N -0.670 115.024 115.700 -0.010 0.000 2.359 54 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 54 S C 2.294 176.914 174.600 0.034 0.000 1.035 54 S CA 1.191 59.395 58.200 0.007 0.000 1.018 54 S CB -0.375 62.832 63.200 0.011 0.000 0.876 54 S HN 0.294 nan 8.310 nan 0.000 0.448 55 L N 1.835 123.083 121.223 0.042 0.000 2.141 55 L HA 0.074 4.414 4.340 -0.000 0.000 0.209 55 L C 2.258 179.168 176.870 0.067 0.000 1.094 55 L CA 1.516 56.388 54.840 0.053 0.000 0.763 55 L CB -1.250 40.825 42.059 0.027 0.000 0.908 55 L HN 0.333 nan 8.230 nan 0.000 0.437 56 G N -1.506 107.323 108.800 0.050 0.000 2.414 56 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.215 56 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.215 56 G C 1.559 176.540 174.900 0.136 0.000 1.188 56 G CA 0.885 46.032 45.100 0.078 0.000 0.783 56 G HN 0.255 nan 8.290 nan 0.000 0.537 57 V N 0.827 120.794 119.914 0.088 0.000 2.392 57 V HA -0.153 3.967 4.120 -0.000 0.000 0.249 57 V C 2.696 178.883 176.094 0.156 0.000 1.059 57 V CA 1.720 64.080 62.300 0.099 0.000 1.051 57 V CB -0.390 31.452 31.823 0.033 0.000 0.658 57 V HN 0.365 nan 8.190 nan 0.000 0.455 58 L N -0.065 121.242 121.223 0.141 0.000 2.005 58 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 58 L C 2.616 179.634 176.870 0.246 0.000 1.072 58 L CA 2.470 57.423 54.840 0.189 0.000 0.744 58 L CB -0.914 41.232 42.059 0.146 0.000 0.895 58 L HN 0.289 nan 8.230 nan 0.000 0.433 59 S N -0.716 115.118 115.700 0.223 0.000 2.353 59 S HA -0.204 4.265 4.470 -0.000 0.000 0.222 59 S C 2.081 176.808 174.600 0.212 0.000 1.035 59 S CA 1.918 60.268 58.200 0.250 0.000 1.025 59 S CB -0.514 62.923 63.200 0.396 0.000 0.902 59 S HN 0.489 nan 8.310 nan 0.000 0.440 60 L N -0.154 121.209 121.223 0.233 0.000 2.046 60 L HA -0.070 4.269 4.340 -0.000 0.000 0.208 60 L C 2.338 179.285 176.870 0.129 0.000 1.077 60 L CA 1.780 56.717 54.840 0.162 0.000 0.747 60 L CB -0.554 41.607 42.059 0.170 0.000 0.896 60 L HN 0.432 nan 8.230 nan 0.000 0.432 61 F N -0.322 119.655 119.950 0.044 0.000 2.146 61 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 61 F C 2.751 178.533 175.800 -0.030 0.000 1.096 61 F CA 1.692 59.700 58.000 0.013 0.000 1.275 61 F CB -0.255 38.765 39.000 0.034 0.000 1.008 61 F HN -0.062 nan 8.300 nan 0.000 0.480 62 S N -0.030 115.685 115.700 0.024 0.000 2.368 62 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 62 S C 2.355 176.863 174.600 -0.154 0.000 1.029 62 S CA 1.242 59.409 58.200 -0.055 0.000 0.988 62 S CB -1.193 62.117 63.200 0.183 0.000 0.838 62 S HN 0.576 nan 8.310 nan 0.000 0.462 63 G N 1.856 110.613 108.800 -0.073 0.000 2.446 63 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.217 63 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.217 63 G C 1.392 176.292 174.900 0.001 0.000 1.168 63 G CA 0.990 46.066 45.100 -0.039 0.000 0.771 63 G HN 0.516 nan 8.290 nan 0.000 0.551 64 L N -0.302 120.841 121.223 -0.134 0.000 2.046 64 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 64 L C 3.016 179.607 176.870 -0.466 0.000 1.077 64 L CA 0.677 55.321 54.840 -0.328 0.000 0.747 64 L CB -0.398 41.433 42.059 -0.379 0.000 0.896 64 L HN 0.146 nan 8.230 nan 0.000 0.432 65 M N -1.202 118.034 119.600 -0.607 0.000 2.213 65 M HA -0.205 4.274 4.480 -0.000 0.000 0.263 65 M C 1.958 177.975 176.300 -0.472 0.000 1.062 65 M CA 1.435 56.259 55.300 -0.793 0.000 1.105 65 M CB -1.197 30.326 32.600 -1.796 0.000 1.385 65 M HN 0.407 nan 8.290 nan 0.000 0.417 66 W N 0.731 121.739 121.300 -0.485 0.000 2.329 66 W HA -0.247 4.413 4.660 -0.000 0.000 0.324 66 W C 1.997 178.321 176.519 -0.325 0.000 1.222 66 W CA 1.596 58.745 57.345 -0.326 0.000 1.270 66 W CB -1.118 28.093 29.460 -0.415 0.000 1.167 66 W HN 0.122 nan 8.180 nan 0.000 0.467 67 F N -0.132 119.485 119.950 -0.555 0.000 2.087 67 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 67 F C 2.295 177.812 175.800 -0.473 0.000 1.100 67 F CA 2.111 59.652 58.000 -0.765 0.000 1.226 67 F CB -1.438 37.170 39.000 -0.654 0.000 0.983 67 F HN -0.158 nan 8.300 nan 0.000 0.479 68 F N -0.195 119.680 119.950 -0.126 0.000 2.259 68 F HA -0.104 4.422 4.527 -0.000 0.000 0.298 68 F C 2.520 178.251 175.800 -0.115 0.000 1.088 68 F CA 1.314 59.243 58.000 -0.118 0.000 1.358 68 F CB -1.760 37.161 39.000 -0.132 0.000 1.040 68 F HN -0.139 nan 8.300 nan 0.000 0.505 69 T N 0.803 115.378 114.554 0.034 0.000 2.720 69 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 69 T C 2.249 176.922 174.700 -0.045 0.000 1.037 69 T CA 1.487 63.604 62.100 0.028 0.000 1.144 69 T CB -0.464 68.443 68.868 0.065 0.000 0.864 69 T HN 0.170 nan 8.240 nan 0.000 0.444 70 I N 1.135 121.542 120.570 -0.271 0.000 2.179 70 I HA -0.077 4.093 4.170 -0.000 0.000 0.242 70 I C 2.919 178.808 176.117 -0.379 0.000 1.088 70 I CA 1.344 62.383 61.300 -0.435 0.000 1.357 70 I CB -0.666 36.871 38.000 -0.771 0.000 1.051 70 I HN 0.306 nan 8.210 nan 0.000 0.409 71 G N 0.788 109.507 108.800 -0.136 0.000 2.422 71 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.218 71 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.218 71 G C 1.517 176.634 174.900 0.362 0.000 1.140 71 G CA 0.386 45.587 45.100 0.169 0.000 0.775 71 G HN 0.172 nan 8.290 nan 0.000 0.545 72 I N -0.295 120.433 120.570 0.264 0.000 2.315 72 I HA -0.034 4.136 4.170 -0.000 0.000 0.248 72 I C 2.264 178.605 176.117 0.373 0.000 1.117 72 I CA -0.097 61.392 61.300 0.315 0.000 1.404 72 I CB -0.564 37.576 38.000 0.233 0.000 1.071 72 I HN 0.444 nan 8.210 nan 0.000 0.419 73 W N 0.347 121.741 121.300 0.156 0.000 2.379 73 W HA -0.264 4.395 4.660 -0.000 0.000 0.307 73 W C 2.172 178.860 176.519 0.283 0.000 1.200 73 W CA 1.048 58.525 57.345 0.219 0.000 1.297 73 W CB -0.280 29.304 29.460 0.207 0.000 1.140 73 W HN 0.043 nan 8.180 nan 0.000 0.507 74 F N -0.151 119.808 119.950 0.016 0.000 2.095 74 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 74 F C 2.089 177.494 175.800 -0.657 0.000 1.104 74 F CA 1.170 58.896 58.000 -0.457 0.000 1.232 74 F CB -1.802 37.126 39.000 -0.121 0.000 0.987 74 F HN -0.059 nan 8.300 nan 0.000 0.475 75 W N -1.122 120.131 121.300 -0.079 0.000 2.342 75 W HA -0.253 4.407 4.660 -0.000 0.000 0.297 75 W C 2.655 178.589 176.519 -0.975 0.000 1.213 75 W CA 1.840 58.999 57.345 -0.310 0.000 1.251 75 W CB -1.097 28.293 29.460 -0.116 0.000 1.136 75 W HN 0.116 nan 8.180 nan 0.000 0.526 76 Y N 0.908 120.636 120.300 -0.953 0.000 2.242 76 Y HA -0.245 4.304 4.550 -0.000 0.000 0.291 76 Y C 2.288 177.632 175.900 -0.926 0.000 1.137 76 Y CA 2.061 59.419 58.100 -1.238 0.000 1.181 76 Y CB -0.709 37.339 38.460 -0.687 0.000 0.989 76 Y HN 0.005 nan 8.280 nan 0.000 0.527 77 Q N -0.195 118.985 119.800 -1.033 0.000 2.170 77 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 77 Q C 2.234 177.860 176.000 -0.623 0.000 0.976 77 Q CA 1.138 56.404 55.803 -0.896 0.000 0.858 77 Q CB -0.288 27.996 28.738 -0.756 0.000 0.907 77 Q HN 0.604 nan 8.270 nan 0.000 0.433 78 A N 0.334 122.729 122.820 -0.707 0.000 2.239 78 A HA 0.158 4.478 4.320 -0.000 0.000 0.209 78 A C 1.410 178.809 177.584 -0.308 0.000 1.171 78 A CA 0.752 52.579 52.037 -0.351 0.000 0.768 78 A CB -0.641 18.162 19.000 -0.327 0.000 0.790 78 A HN 0.456 nan 8.150 nan 0.000 0.478 79 G N -2.131 106.367 108.800 -0.503 0.000 2.305 79 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.287 79 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.287 79 G C 0.305 175.166 174.900 -0.065 0.000 1.036 79 G CA 0.278 45.173 45.100 -0.342 0.000 0.887 79 G HN 1.122 nan 8.290 nan 0.000 0.505 80 W N -2.513 118.875 121.300 0.146 0.000 3.904 80 W HA -0.212 4.448 4.660 -0.000 0.000 0.312 80 W C 0.730 177.466 176.519 0.362 0.000 1.159 80 W CA 0.441 58.003 57.345 0.361 0.000 0.704 80 W CB -1.730 27.858 29.460 0.213 0.000 2.209 80 W HN 0.660 nan 8.180 nan 0.000 1.468 81 N N 0.696 119.542 118.700 0.243 0.000 2.446 81 N HA 0.255 4.995 4.740 -0.000 0.000 0.265 81 N C -1.384 174.125 175.510 -0.002 0.000 0.975 81 N CA -2.009 51.134 53.050 0.156 0.000 0.928 81 N CB 1.783 40.318 38.487 0.080 0.000 1.160 81 N HN -0.272 nan 8.380 nan 0.000 0.495 82 P HA 0.053 nan 4.420 nan 0.000 0.222 82 P C 0.869 178.180 177.300 0.018 0.000 1.153 82 P CA 0.640 63.716 63.100 -0.040 0.000 0.798 82 P CB 0.325 32.143 31.700 0.196 0.000 0.796 83 A N -0.087 122.752 122.820 0.032 0.000 1.845 83 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 83 A C 2.353 179.931 177.584 -0.010 0.000 1.195 83 A CA 1.943 53.989 52.037 0.015 0.000 0.616 83 A CB -1.711 17.297 19.000 0.014 0.000 0.832 83 A HN 0.019 nan 8.150 nan 0.000 0.443 84 V N -1.122 118.784 119.914 -0.014 0.000 2.287 84 V HA -0.269 3.850 4.120 -0.000 0.000 0.248 84 V C 2.282 178.380 176.094 0.007 0.000 1.053 84 V CA 2.259 64.544 62.300 -0.025 0.000 1.027 84 V CB -0.979 30.834 31.823 -0.017 0.000 0.646 84 V HN 0.606 nan 8.190 nan 0.000 0.447 85 F N 0.059 119.901 119.950 -0.180 0.000 2.063 85 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 85 F C 2.119 177.874 175.800 -0.076 0.000 1.109 85 F CA 1.857 59.737 58.000 -0.200 0.000 1.212 85 F CB -0.219 38.313 39.000 -0.780 0.000 0.973 85 F HN 0.023 nan 8.300 nan 0.000 0.480 86 L N 0.297 121.516 121.223 -0.006 0.000 2.056 86 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 86 L C 2.534 179.278 176.870 -0.210 0.000 1.078 86 L CA 1.669 56.451 54.840 -0.097 0.000 0.749 86 L CB -1.601 40.453 42.059 -0.007 0.000 0.901 86 L HN 0.236 nan 8.230 nan 0.000 0.433 87 R N 0.126 120.526 120.500 -0.166 0.000 2.073 87 R HA -0.158 4.182 4.340 -0.000 0.000 0.234 87 R C 0.562 176.715 176.300 -0.245 0.000 1.134 87 R CA 1.740 57.732 56.100 -0.179 0.000 0.952 87 R CB 0.111 30.328 30.300 -0.139 0.000 0.850 87 R HN 0.269 nan 8.270 nan 0.000 0.433 88 D N 0.334 120.505 120.400 -0.382 0.000 2.463 88 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 88 D C 1.095 176.794 176.300 -1.003 0.000 1.174 88 D CA -0.101 53.556 54.000 -0.572 0.000 0.829 88 D CB 0.587 40.890 40.800 -0.827 0.000 0.993 88 D HN 0.128 nan 8.370 nan 0.000 0.497 89 L N 0.012 120.811 121.223 -0.706 0.000 2.079 89 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 89 L C 1.358 177.990 176.870 -0.396 0.000 1.081 89 L CA 1.737 56.217 54.840 -0.600 0.000 0.752 89 L CB -0.386 41.384 42.059 -0.481 0.000 0.896 89 L HN -0.033 nan 8.230 nan 0.000 0.433 90 F N -1.609 117.903 119.950 -0.731 0.000 2.710 90 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 90 F C 1.807 176.948 175.800 -1.098 0.000 1.137 90 F CA 0.178 57.529 58.000 -1.082 0.000 1.444 90 F CB -0.957 36.977 39.000 -1.777 0.000 1.111 90 F HN 0.076 nan 8.300 nan 0.000 0.580 91 F N -1.856 117.812 119.950 -0.470 0.000 2.714 91 F HA 0.123 4.650 4.527 -0.000 0.000 0.294 91 F C 0.771 176.407 175.800 -0.275 0.000 1.120 91 F CA -0.348 57.500 58.000 -0.254 0.000 1.398 91 F CB -0.518 38.312 39.000 -0.282 0.000 1.120 91 F HN -0.352 nan 8.300 nan 0.000 0.589 92 F N 0.482 120.266 119.950 -0.276 0.000 2.496 92 F HA 0.368 4.895 4.527 -0.000 0.000 0.344 92 F C 0.710 176.348 175.800 -0.270 0.000 1.155 92 F CA -0.670 57.018 58.000 -0.520 0.000 1.302 92 F CB 0.455 38.563 39.000 -1.486 0.000 1.159 92 F HN -0.355 nan 8.300 nan 0.000 0.595 93 S N 2.279 118.236 115.700 0.428 0.000 2.562 93 S HA 0.504 4.973 4.470 -0.000 0.000 0.274 93 S C -1.855 173.256 174.600 0.851 0.000 1.160 93 S CA -0.678 57.899 58.200 0.628 0.000 0.933 93 S CB 0.820 64.272 63.200 0.421 0.000 1.100 93 S HN 0.531 nan 8.310 nan 0.000 0.468 94 L N 5.127 126.818 121.223 0.779 0.000 2.270 94 L HA 0.599 4.938 4.340 -0.000 0.000 0.286 94 L C -0.297 176.825 176.870 0.420 0.000 1.059 94 L CA 0.172 55.266 54.840 0.422 0.000 0.839 94 L CB 0.607 42.882 42.059 0.359 0.000 1.221 94 L HN 0.604 nan 8.230 nan 0.000 0.431 95 E N 6.642 126.969 120.200 0.213 0.000 2.277 95 E HA 0.444 4.793 4.350 -0.000 0.000 0.274 95 E C -2.435 174.034 176.600 -0.219 0.000 1.022 95 E CA -1.817 54.614 56.400 0.052 0.000 0.853 95 E CB 0.899 30.653 29.700 0.090 0.000 1.086 95 E HN 0.452 nan 8.360 nan 0.000 0.397 96 P HA 0.216 nan 4.420 nan 0.000 0.275 96 P C -2.531 174.543 177.300 -0.375 0.000 1.266 96 P CA -1.425 61.015 63.100 -1.100 0.000 0.793 96 P CB -0.541 30.133 31.700 -1.709 0.000 1.074 97 P HA 0.066 nan 4.420 nan 0.000 0.269 97 P C -0.115 177.246 177.300 0.101 0.000 1.217 97 P CA 0.174 63.278 63.100 0.008 0.000 0.783 97 P CB -0.016 31.739 31.700 0.091 0.000 0.898 98 A N 3.683 126.651 122.820 0.248 0.000 2.429 98 A HA 0.213 4.533 4.320 -0.000 0.000 0.242 98 A C -1.281 176.396 177.584 0.154 0.000 1.088 98 A CA -0.632 51.517 52.037 0.186 0.000 0.784 98 A CB -1.277 17.837 19.000 0.189 0.000 1.038 98 A HN 0.420 nan 8.150 nan 0.000 0.501 99 P HA -0.170 nan 4.420 nan 0.000 0.218 99 P C 0.996 178.291 177.300 -0.009 0.000 1.148 99 P CA 1.499 64.613 63.100 0.024 0.000 0.822 99 P CB 0.054 31.752 31.700 -0.004 0.000 0.784 100 E N -1.135 119.027 120.200 -0.063 0.000 2.209 100 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 100 E C 1.149 177.604 176.600 -0.242 0.000 0.993 100 E CA 1.380 57.666 56.400 -0.190 0.000 0.819 100 E CB -1.189 28.330 29.700 -0.301 0.000 0.745 100 E HN 0.449 nan 8.360 nan 0.000 0.477 101 Y N 1.001 121.314 120.300 0.021 0.000 2.466 101 Y HA 0.240 4.790 4.550 -0.000 0.000 0.272 101 Y C 1.958 177.867 175.900 0.015 0.000 1.169 101 Y CA 0.202 58.325 58.100 0.038 0.000 1.285 101 Y CB -0.041 38.471 38.460 0.086 0.000 1.078 101 Y HN 0.168 nan 8.280 nan 0.000 0.523 102 G N 1.074 109.920 108.800 0.077 0.000 2.684 102 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.332 102 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.332 102 G C 0.846 175.673 174.900 -0.122 0.000 1.306 102 G CA 1.000 46.074 45.100 -0.043 0.000 1.002 102 G HN 0.323 nan 8.290 nan 0.000 0.545 103 L N 1.911 122.978 121.223 -0.260 0.000 2.640 103 L HA 0.303 4.643 4.340 -0.000 0.000 0.230 103 L C 1.812 178.582 176.870 -0.166 0.000 1.123 103 L CA 0.560 55.070 54.840 -0.550 0.000 0.900 103 L CB 0.035 41.705 42.059 -0.649 0.000 1.146 103 L HN 0.653 nan 8.230 nan 0.000 0.484 104 S N -0.662 115.023 115.700 -0.026 0.000 2.579 104 S HA 0.096 4.566 4.470 -0.000 0.000 0.275 104 S C 0.312 174.953 174.600 0.068 0.000 1.345 104 S CA -0.293 57.877 58.200 -0.050 0.000 1.031 104 S CB 0.399 63.636 63.200 0.063 0.000 0.892 104 S HN 0.142 nan 8.310 nan 0.000 0.529 105 F N 0.618 120.698 119.950 0.216 0.000 2.696 105 F HA 0.414 4.941 4.527 -0.000 0.000 0.296 105 F C 1.693 177.513 175.800 0.034 0.000 1.181 105 F CA -0.669 57.391 58.000 0.100 0.000 1.411 105 F CB -1.173 37.852 39.000 0.043 0.000 1.014 105 F HN 0.773 nan 8.300 nan 0.000 0.512 106 A N -0.048 122.872 122.820 0.167 0.000 2.327 106 A HA 0.612 4.932 4.320 -0.000 0.000 0.228 106 A C 1.192 178.769 177.584 -0.012 0.000 1.275 106 A CA 0.184 52.291 52.037 0.117 0.000 0.875 106 A CB -0.794 18.309 19.000 0.170 0.000 0.925 106 A HN 0.182 nan 8.150 nan 0.000 0.493 107 A N 0.890 123.581 122.820 -0.215 0.000 2.306 107 A HA 0.672 4.991 4.320 -0.000 0.000 0.314 107 A C -2.654 174.758 177.584 -0.287 0.000 1.164 107 A CA -1.713 49.932 52.037 -0.653 0.000 0.822 107 A CB 0.137 18.581 19.000 -0.927 0.000 1.130 107 A HN 0.195 nan 8.150 nan 0.000 0.496 108 P HA 0.092 nan 4.420 nan 0.000 0.267 108 P C 1.081 178.337 177.300 -0.073 0.000 1.200 108 P CA -0.247 62.812 63.100 -0.069 0.000 0.772 108 P CB 0.451 32.154 31.700 0.005 0.000 0.855 109 L N 1.874 123.073 121.223 -0.041 0.000 2.010 109 L HA -0.264 4.076 4.340 -0.000 0.000 0.219 109 L C 1.947 178.766 176.870 -0.084 0.000 1.077 109 L CA 1.949 56.760 54.840 -0.049 0.000 0.773 109 L CB -0.564 41.487 42.059 -0.013 0.000 0.892 109 L HN 0.488 nan 8.230 nan 0.000 0.436 110 K N -0.208 120.186 120.400 -0.010 0.000 2.555 110 K HA -0.057 4.263 4.320 -0.000 0.000 0.193 110 K C 0.174 176.772 176.600 -0.005 0.000 1.032 110 K CA 0.620 56.937 56.287 0.050 0.000 1.004 110 K CB 0.096 32.743 32.500 0.245 0.000 0.804 110 K HN 0.449 nan 8.250 nan 0.000 0.496 111 E N -0.825 119.345 120.200 -0.051 0.000 3.843 111 E HA 0.140 4.489 4.350 -0.000 0.000 0.189 111 E C 0.271 176.817 176.600 -0.089 0.000 1.013 111 E CA -0.121 56.268 56.400 -0.019 0.000 1.395 111 E CB 1.424 31.163 29.700 0.066 0.000 1.136 111 E HN 0.317 nan 8.360 nan 0.000 0.444 112 G N 0.205 108.937 108.800 -0.114 0.000 3.709 112 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.196 112 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.196 112 G C 1.127 176.024 174.900 -0.004 0.000 1.177 112 G CA -0.040 45.015 45.100 -0.074 0.000 0.906 112 G HN 0.348 nan 8.290 nan 0.000 0.416 113 G N 1.197 109.954 108.800 -0.072 0.000 2.491 113 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.218 113 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.218 113 G C 1.767 176.646 174.900 -0.036 0.000 1.180 113 G CA 1.651 46.720 45.100 -0.052 0.000 0.774 113 G HN 0.557 nan 8.290 nan 0.000 0.562 114 L N -0.449 120.739 121.223 -0.058 0.000 2.081 114 L HA -0.039 4.301 4.340 -0.000 0.000 0.212 114 L C 2.323 179.199 176.870 0.009 0.000 1.080 114 L CA 1.213 56.021 54.840 -0.054 0.000 0.754 114 L CB -1.140 40.833 42.059 -0.143 0.000 0.893 114 L HN 0.584 nan 8.230 nan 0.000 0.433 115 W N -0.176 121.060 121.300 -0.108 0.000 2.379 115 W HA -0.202 4.458 4.660 -0.000 0.000 0.307 115 W C 2.353 178.897 176.519 0.041 0.000 1.200 115 W CA 1.412 58.774 57.345 0.030 0.000 1.297 115 W CB -0.210 29.248 29.460 -0.004 0.000 1.140 115 W HN 0.065 nan 8.180 nan 0.000 0.507 116 L N 0.275 121.571 121.223 0.121 0.000 2.046 116 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 116 L C 2.461 179.175 176.870 -0.259 0.000 1.077 116 L CA 1.555 56.298 54.840 -0.161 0.000 0.747 116 L CB -0.903 41.081 42.059 -0.125 0.000 0.896 116 L HN 0.030 nan 8.230 nan 0.000 0.432 117 I N -0.235 120.222 120.570 -0.188 0.000 2.127 117 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 117 I C 2.826 178.885 176.117 -0.096 0.000 1.075 117 I CA 1.283 62.458 61.300 -0.208 0.000 1.334 117 I CB -0.539 37.388 38.000 -0.122 0.000 1.040 117 I HN 0.228 nan 8.210 nan 0.000 0.405 118 A N 0.343 123.139 122.820 -0.039 0.000 1.883 118 A HA -0.230 4.089 4.320 -0.000 0.000 0.217 118 A C 2.483 180.057 177.584 -0.017 0.000 1.186 118 A CA 2.463 54.518 52.037 0.029 0.000 0.624 118 A CB -0.848 17.992 19.000 -0.266 0.000 0.822 118 A HN 0.438 nan 8.150 nan 0.000 0.444 119 S N -1.006 114.539 115.700 -0.260 0.000 2.382 119 S HA -0.128 4.341 4.470 -0.000 0.000 0.228 119 S C 1.639 176.151 174.600 -0.147 0.000 1.027 119 S CA 1.305 59.344 58.200 -0.268 0.000 0.991 119 S CB -0.591 62.216 63.200 -0.655 0.000 0.823 119 S HN 0.627 nan 8.310 nan 0.000 0.469 120 F N 2.105 121.865 119.950 -0.317 0.000 2.065 120 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 120 F C 1.748 177.469 175.800 -0.131 0.000 1.112 120 F CA 1.452 59.266 58.000 -0.310 0.000 1.212 120 F CB -0.504 38.184 39.000 -0.520 0.000 0.975 120 F HN 0.104 nan 8.300 nan 0.000 0.476 121 F N -0.008 119.920 119.950 -0.036 0.000 2.171 121 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 121 F C 2.639 178.288 175.800 -0.252 0.000 1.090 121 F CA 1.642 59.582 58.000 -0.100 0.000 1.293 121 F CB -1.008 38.023 39.000 0.052 0.000 1.013 121 F HN 0.076 nan 8.300 nan 0.000 0.486 122 M N -1.437 118.036 119.600 -0.212 0.000 2.175 122 M HA -0.212 4.268 4.480 -0.000 0.000 0.264 122 M C 2.259 178.424 176.300 -0.225 0.000 1.063 122 M CA 1.589 56.545 55.300 -0.573 0.000 1.119 122 M CB -0.338 31.691 32.600 -0.952 0.000 1.377 122 M HN 0.202 nan 8.290 nan 0.000 0.415 123 F N 0.137 119.993 119.950 -0.157 0.000 2.113 123 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 123 F C 1.803 177.629 175.800 0.043 0.000 1.103 123 F CA 1.560 59.600 58.000 0.068 0.000 1.248 123 F CB -0.336 38.611 39.000 -0.089 0.000 0.999 123 F HN -0.133 nan 8.300 nan 0.000 0.475 124 V N 0.739 120.671 119.914 0.029 0.000 2.343 124 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 124 V C 2.715 178.817 176.094 0.014 0.000 1.051 124 V CA 1.741 64.039 62.300 -0.003 0.000 1.036 124 V CB -1.628 30.131 31.823 -0.106 0.000 0.654 124 V HN 0.508 nan 8.190 nan 0.000 0.451 125 A N -0.113 122.672 122.820 -0.059 0.000 1.858 125 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 125 A C 2.406 179.937 177.584 -0.089 0.000 1.190 125 A CA 2.157 54.151 52.037 -0.072 0.000 0.617 125 A CB -0.773 18.104 19.000 -0.206 0.000 0.827 125 A HN 0.314 nan 8.150 nan 0.000 0.443 126 V N -2.157 117.564 119.914 -0.321 0.000 2.295 126 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 126 V C 2.300 178.248 176.094 -0.243 0.000 1.049 126 V CA 1.944 63.970 62.300 -0.457 0.000 1.024 126 V CB -1.074 30.045 31.823 -1.174 0.000 0.648 126 V HN 0.784 nan 8.190 nan 0.000 0.447 127 W N 0.739 121.919 121.300 -0.199 0.000 2.388 127 W HA -0.165 4.495 4.660 -0.000 0.000 0.294 127 W C 2.931 179.516 176.519 0.109 0.000 1.212 127 W CA 1.451 58.731 57.345 -0.107 0.000 1.271 127 W CB -0.415 28.828 29.460 -0.362 0.000 1.126 127 W HN 0.360 nan 8.180 nan 0.000 0.535 128 S N -1.084 114.788 115.700 0.287 0.000 2.406 128 S HA -0.226 4.244 4.470 -0.000 0.000 0.228 128 S C 1.668 176.397 174.600 0.216 0.000 1.020 128 S CA 0.815 59.155 58.200 0.233 0.000 0.965 128 S CB -1.238 62.071 63.200 0.181 0.000 0.798 128 S HN 0.472 nan 8.310 nan 0.000 0.488 129 W N 1.064 122.422 121.300 0.095 0.000 2.358 129 W HA -0.110 4.550 4.660 -0.000 0.000 0.303 129 W C 1.946 178.575 176.519 0.184 0.000 1.208 129 W CA 1.098 58.495 57.345 0.087 0.000 1.274 129 W CB -0.532 28.955 29.460 0.045 0.000 1.138 129 W HN 0.496 nan 8.180 nan 0.000 0.515 130 W N 1.653 123.126 121.300 0.288 0.000 2.335 130 W HA -0.151 4.509 4.660 -0.000 0.000 0.311 130 W C 2.463 179.033 176.519 0.084 0.000 1.213 130 W CA 3.423 60.903 57.345 0.225 0.000 1.274 130 W CB -0.903 28.511 29.460 -0.076 0.000 1.148 130 W HN -0.104 nan 8.180 nan 0.000 0.498 131 G N 0.176 109.004 108.800 0.047 0.000 2.418 131 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 131 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 131 G C 1.636 176.351 174.900 -0.308 0.000 1.158 131 G CA 1.026 46.012 45.100 -0.190 0.000 0.771 131 G HN 0.299 nan 8.290 nan 0.000 0.545 132 R N 0.106 120.416 120.500 -0.315 0.000 2.091 132 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 132 R C 3.006 179.003 176.300 -0.504 0.000 1.136 132 R CA 2.047 57.878 56.100 -0.448 0.000 0.959 132 R CB -0.485 29.375 30.300 -0.733 0.000 0.856 132 R HN 0.538 nan 8.270 nan 0.000 0.437 133 T N -2.418 111.810 114.554 -0.543 0.000 2.867 133 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 133 T C 1.771 176.183 174.700 -0.481 0.000 1.057 133 T CA 1.065 62.879 62.100 -0.477 0.000 1.136 133 T CB -0.424 68.230 68.868 -0.357 0.000 0.874 133 T HN 0.369 nan 8.240 nan 0.000 0.466 134 Y N 1.506 121.382 120.300 -0.708 0.000 2.184 134 Y HA 0.239 4.789 4.550 -0.000 0.000 0.290 134 Y C 2.172 177.802 175.900 -0.450 0.000 1.129 134 Y CA 0.994 58.695 58.100 -0.666 0.000 1.144 134 Y CB -0.281 37.657 38.460 -0.869 0.000 0.995 134 Y HN 0.132 nan 8.280 nan 0.000 0.513 135 L N -0.367 120.738 121.223 -0.197 0.000 2.093 135 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 135 L C 2.470 179.158 176.870 -0.302 0.000 1.085 135 L CA 0.905 55.635 54.840 -0.183 0.000 0.755 135 L CB -0.429 41.544 42.059 -0.142 0.000 0.904 135 L HN 0.117 nan 8.230 nan 0.000 0.435 136 R N 0.196 120.476 120.500 -0.367 0.000 2.120 136 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 136 R C 2.247 178.345 176.300 -0.336 0.000 1.123 136 R CA 1.338 57.203 56.100 -0.392 0.000 0.975 136 R CB -0.993 29.079 30.300 -0.380 0.000 0.866 136 R HN 0.347 nan 8.270 nan 0.000 0.446 137 A N 1.011 123.616 122.820 -0.359 0.000 1.873 137 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 137 A C 2.224 179.617 177.584 -0.318 0.000 1.186 137 A CA 1.462 53.292 52.037 -0.344 0.000 0.616 137 A CB -0.493 18.248 19.000 -0.431 0.000 0.823 137 A HN 0.384 nan 8.150 nan 0.000 0.442 138 Q N -0.533 119.054 119.800 -0.355 0.000 2.096 138 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 138 Q C 2.117 178.004 176.000 -0.189 0.000 0.982 138 Q CA 1.716 57.362 55.803 -0.262 0.000 0.850 138 Q CB -0.345 28.272 28.738 -0.202 0.000 0.901 138 Q HN 0.601 nan 8.270 nan 0.000 0.422 139 A N 0.134 122.829 122.820 -0.208 0.000 2.015 139 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 139 A C 1.764 179.254 177.584 -0.156 0.000 1.163 139 A CA 0.858 52.787 52.037 -0.181 0.000 0.646 139 A CB -0.235 18.617 19.000 -0.246 0.000 0.806 139 A HN 0.442 nan 8.150 nan 0.000 0.448 140 L N -1.429 119.691 121.223 -0.171 0.000 2.607 140 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 140 L C 1.541 178.341 176.870 -0.116 0.000 1.123 140 L CA 0.502 55.260 54.840 -0.137 0.000 0.890 140 L CB 0.096 42.067 42.059 -0.147 0.000 1.103 140 L HN 0.526 nan 8.230 nan 0.000 0.468 141 G N 0.359 109.085 108.800 -0.123 0.000 2.160 141 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.251 141 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.251 141 G C 0.204 175.044 174.900 -0.100 0.000 1.008 141 G CA 0.193 45.233 45.100 -0.100 0.000 0.724 141 G HN 0.257 nan 8.290 nan 0.000 0.514 142 M N 0.216 119.738 119.600 -0.130 0.000 2.368 142 M HA 0.558 5.038 4.480 -0.000 0.000 0.311 142 M C 1.408 177.639 176.300 -0.115 0.000 1.168 142 M CA -0.007 55.224 55.300 -0.115 0.000 1.044 142 M CB 0.880 33.400 32.600 -0.135 0.000 1.506 142 M HN 0.213 nan 8.290 nan 0.000 0.475 143 G N 0.572 109.356 108.800 -0.026 0.000 2.699 143 G HA2 0.142 4.102 3.960 -0.000 0.000 0.246 143 G HA3 0.142 4.102 3.960 -0.000 0.000 0.246 143 G C 0.184 175.054 174.900 -0.051 0.000 1.219 143 G CA -0.500 44.639 45.100 0.065 0.000 0.866 143 G HN 0.629 nan 8.290 nan 0.000 0.572 144 K N -0.310 119.983 120.400 -0.179 0.000 2.498 144 K HA 0.134 4.454 4.320 -0.000 0.000 0.207 144 K C 1.303 177.635 176.600 -0.447 0.000 1.033 144 K CA -0.155 55.824 56.287 -0.514 0.000 1.138 144 K CB 0.069 32.084 32.500 -0.809 0.000 0.860 144 K HN 0.589 nan 8.250 nan 0.000 0.490 145 H N 0.386 119.367 119.070 -0.148 0.000 2.352 145 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 145 H C 1.678 176.970 175.328 -0.061 0.000 1.097 145 H CA 2.045 58.087 56.048 -0.010 0.000 1.311 145 H CB -0.342 29.410 29.762 -0.017 0.000 1.377 145 H HN 0.079 nan 8.280 nan 0.000 0.504 146 T N 0.363 114.913 114.554 -0.008 0.000 2.708 146 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 146 T C 2.412 177.102 174.700 -0.017 0.000 1.037 146 T CA 1.396 63.475 62.100 -0.036 0.000 1.146 146 T CB -0.601 68.203 68.868 -0.107 0.000 0.865 146 T HN 0.523 nan 8.240 nan 0.000 0.435 147 A N 0.486 123.178 122.820 -0.213 0.000 1.933 147 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 147 A C 2.143 179.846 177.584 0.197 0.000 1.175 147 A CA 1.319 53.234 52.037 -0.204 0.000 0.628 147 A CB -1.169 17.437 19.000 -0.656 0.000 0.814 147 A HN 0.748 nan 8.150 nan 0.000 0.444 148 W N -0.537 120.890 121.300 0.211 0.000 2.381 148 W HA 0.014 4.674 4.660 -0.000 0.000 0.301 148 W C 2.745 179.324 176.519 0.100 0.000 1.205 148 W CA 0.533 57.974 57.345 0.160 0.000 1.285 148 W CB -0.067 29.398 29.460 0.008 0.000 1.133 148 W HN 0.386 nan 8.180 nan 0.000 0.521 149 A N 0.116 123.104 122.820 0.280 0.000 1.898 149 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 149 A C 1.735 179.479 177.584 0.268 0.000 1.181 149 A CA 1.303 53.437 52.037 0.162 0.000 0.620 149 A CB -1.151 17.896 19.000 0.078 0.000 0.819 149 A HN 0.345 nan 8.150 nan 0.000 0.442 150 F N 0.260 120.303 119.950 0.154 0.000 2.216 150 F HA -0.098 4.429 4.527 -0.000 0.000 0.300 150 F C 1.699 177.606 175.800 0.178 0.000 1.085 150 F CA 1.037 59.134 58.000 0.162 0.000 1.326 150 F CB -0.583 38.533 39.000 0.193 0.000 1.027 150 F HN 0.175 nan 8.300 nan 0.000 0.497 151 L N -0.202 121.162 121.223 0.235 0.000 2.127 151 L HA -0.202 4.137 4.340 -0.000 0.000 0.211 151 L C 2.740 179.644 176.870 0.056 0.000 1.089 151 L CA 2.080 56.928 54.840 0.014 0.000 0.757 151 L CB -1.283 40.919 42.059 0.239 0.000 0.899 151 L HN 0.272 nan 8.230 nan 0.000 0.434 152 S N -1.337 114.440 115.700 0.127 0.000 2.368 152 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 152 S C 2.143 176.868 174.600 0.208 0.000 1.029 152 S CA 1.075 59.370 58.200 0.159 0.000 0.988 152 S CB -0.270 62.989 63.200 0.099 0.000 0.838 152 S HN 0.587 nan 8.310 nan 0.000 0.462 153 A N 1.297 124.214 122.820 0.162 0.000 1.898 153 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 153 A C 2.077 179.716 177.584 0.093 0.000 1.181 153 A CA 1.369 53.494 52.037 0.147 0.000 0.620 153 A CB -0.736 18.380 19.000 0.194 0.000 0.819 153 A HN 0.616 nan 8.150 nan 0.000 0.442 154 I N -1.330 119.202 120.570 -0.065 0.000 2.286 154 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 154 I C 2.473 178.709 176.117 0.198 0.000 1.115 154 I CA 1.351 62.596 61.300 -0.092 0.000 1.392 154 I CB -0.317 37.306 38.000 -0.629 0.000 1.065 154 I HN 0.762 nan 8.210 nan 0.000 0.418 155 W N 1.733 123.033 121.300 -0.001 0.000 2.332 155 W HA -0.316 4.344 4.660 -0.000 0.000 0.321 155 W C 2.360 178.917 176.519 0.063 0.000 1.219 155 W CA 1.329 58.696 57.345 0.037 0.000 1.277 155 W CB -0.394 29.078 29.460 0.020 0.000 1.161 155 W HN 0.143 nan 8.180 nan 0.000 0.476 156 L N 1.189 122.338 121.223 -0.123 0.000 2.042 156 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 156 L C 2.305 179.106 176.870 -0.116 0.000 1.076 156 L CA 2.886 57.591 54.840 -0.224 0.000 0.749 156 L CB -1.671 40.379 42.059 -0.014 0.000 0.893 156 L HN 0.306 nan 8.230 nan 0.000 0.432 157 W N -0.460 120.742 121.300 -0.164 0.000 2.381 157 W HA -0.199 4.461 4.660 -0.000 0.000 0.301 157 W C 2.206 178.667 176.519 -0.096 0.000 1.205 157 W CA 1.498 58.762 57.345 -0.135 0.000 1.285 157 W CB -0.259 29.107 29.460 -0.157 0.000 1.133 157 W HN 0.068 nan 8.180 nan 0.000 0.521 158 M N 0.481 119.809 119.600 -0.453 0.000 2.108 158 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 158 M C 1.910 178.034 176.300 -0.293 0.000 1.066 158 M CA 1.491 56.477 55.300 -0.524 0.000 1.107 158 M CB -1.537 30.992 32.600 -0.118 0.000 1.356 158 M HN 0.020 nan 8.290 nan 0.000 0.406 159 V N 0.538 120.216 119.914 -0.393 0.000 2.261 159 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 159 V C 2.497 178.471 176.094 -0.199 0.000 1.047 159 V CA 1.514 63.581 62.300 -0.388 0.000 1.015 159 V CB -0.684 30.725 31.823 -0.691 0.000 0.642 159 V HN 0.393 nan 8.190 nan 0.000 0.446 160 L N 0.217 121.323 121.223 -0.195 0.000 2.079 160 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 160 L C 2.350 179.182 176.870 -0.064 0.000 1.081 160 L CA 1.817 56.595 54.840 -0.104 0.000 0.752 160 L CB -0.738 41.232 42.059 -0.148 0.000 0.896 160 L HN 0.487 nan 8.230 nan 0.000 0.433 161 G N -2.291 106.436 108.800 -0.122 0.000 2.673 161 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.208 161 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.208 161 G C 1.052 176.100 174.900 0.245 0.000 1.128 161 G CA 0.099 45.204 45.100 0.007 0.000 0.805 161 G HN 0.247 nan 8.290 nan 0.000 0.526 162 F N 0.167 120.102 119.950 -0.025 0.000 2.362 162 F HA 0.392 4.918 4.527 -0.000 0.000 0.264 162 F C 2.206 178.048 175.800 0.070 0.000 0.905 162 F CA -0.004 58.068 58.000 0.121 0.000 1.142 162 F CB -0.108 38.903 39.000 0.019 0.000 1.250 162 F HN -0.048 nan 8.300 nan 0.000 0.771 163 I N 0.897 121.519 120.570 0.086 0.000 2.179 163 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 163 I C 2.606 178.668 176.117 -0.092 0.000 1.088 163 I CA 1.620 62.891 61.300 -0.049 0.000 1.357 163 I CB -0.512 37.502 38.000 0.023 0.000 1.051 163 I HN 0.160 nan 8.210 nan 0.000 0.409 164 R N 0.815 121.287 120.500 -0.046 0.000 2.066 164 R HA -0.104 4.235 4.340 -0.000 0.000 0.232 164 R C -0.422 175.867 176.300 -0.019 0.000 1.131 164 R CA 1.449 57.543 56.100 -0.010 0.000 0.955 164 R CB -1.073 29.262 30.300 0.057 0.000 0.851 164 R HN 0.208 nan 8.270 nan 0.000 0.432 165 P HA -0.142 nan 4.420 nan 0.000 0.216 165 P C 1.091 178.220 177.300 -0.284 0.000 1.150 165 P CA 1.338 64.401 63.100 -0.063 0.000 0.837 165 P CB -0.025 31.729 31.700 0.089 0.000 0.786 166 I N -1.375 118.968 120.570 -0.378 0.000 2.142 166 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 166 I C 2.345 178.285 176.117 -0.294 0.000 1.078 166 I CA 1.376 62.392 61.300 -0.473 0.000 1.343 166 I CB -0.734 36.945 38.000 -0.535 0.000 1.046 166 I HN -0.121 nan 8.210 nan 0.000 0.405 167 L N -0.153 120.952 121.223 -0.196 0.000 2.042 167 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 167 L C 2.392 179.194 176.870 -0.114 0.000 1.076 167 L CA 1.207 55.972 54.840 -0.126 0.000 0.749 167 L CB -0.481 41.534 42.059 -0.074 0.000 0.893 167 L HN 0.333 nan 8.230 nan 0.000 0.432 168 M N -0.406 119.131 119.600 -0.105 0.000 2.686 168 M HA 0.075 4.555 4.480 -0.000 0.000 0.246 168 M C 1.607 177.832 176.300 -0.125 0.000 1.096 168 M CA 1.004 56.253 55.300 -0.085 0.000 1.076 168 M CB -1.020 31.557 32.600 -0.038 0.000 1.504 168 M HN 0.481 nan 8.290 nan 0.000 0.524 169 G N 1.644 110.330 108.800 -0.190 0.000 2.189 169 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.267 169 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.267 169 G C 0.227 174.974 174.900 -0.254 0.000 0.975 169 G CA 0.673 45.642 45.100 -0.218 0.000 0.644 169 G HN 0.680 nan 8.290 nan 0.000 0.537 170 S N -2.146 113.398 115.700 -0.260 0.000 2.533 170 S HA 0.508 4.978 4.470 -0.000 0.000 0.271 170 S C 0.384 174.860 174.600 -0.207 0.000 1.143 170 S CA -0.083 57.967 58.200 -0.250 0.000 0.891 170 S CB 0.629 63.773 63.200 -0.094 0.000 1.105 170 S HN 0.402 nan 8.310 nan 0.000 0.468 171 W N 1.851 123.136 121.300 -0.024 0.000 2.424 171 W HA -0.079 4.581 4.660 -0.000 0.000 0.264 171 W C 2.604 179.010 176.519 -0.189 0.000 1.229 171 W CA 0.771 58.076 57.345 -0.065 0.000 1.208 171 W CB -0.146 29.294 29.460 -0.035 0.000 1.127 171 W HN 0.940 nan 8.180 nan 0.000 0.588 172 S N -0.119 115.626 115.700 0.076 0.000 2.442 172 S HA -0.170 4.300 4.470 -0.000 0.000 0.236 172 S C 1.464 176.116 174.600 0.087 0.000 1.007 172 S CA 1.090 59.303 58.200 0.021 0.000 0.965 172 S CB -0.257 62.968 63.200 0.041 0.000 0.773 172 S HN 0.226 nan 8.310 nan 0.000 0.504 173 E N 1.756 122.033 120.200 0.129 0.000 2.347 173 E HA 0.275 4.625 4.350 -0.000 0.000 0.196 173 E C 1.155 178.000 176.600 0.409 0.000 1.008 173 E CA 0.565 57.119 56.400 0.257 0.000 0.852 173 E CB -0.422 29.396 29.700 0.196 0.000 0.783 173 E HN 0.734 nan 8.360 nan 0.000 0.505 174 A N 0.890 123.850 122.820 0.233 0.000 2.310 174 A HA 0.297 4.617 4.320 -0.000 0.000 0.260 174 A C 0.360 177.882 177.584 -0.103 0.000 1.112 174 A CA -0.409 51.723 52.037 0.158 0.000 0.804 174 A CB 0.545 19.715 19.000 0.284 0.000 1.081 174 A HN -0.039 nan 8.150 nan 0.000 0.499 175 V N 1.851 121.541 119.914 -0.374 0.000 2.481 175 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 175 V C -2.022 173.900 176.094 -0.288 0.000 1.042 175 V CA -1.384 60.419 62.300 -0.829 0.000 0.928 175 V CB 1.115 32.366 31.823 -0.952 0.000 0.986 175 V HN 0.853 nan 8.190 nan 0.000 0.462 176 P HA 0.209 nan 4.420 nan 0.000 0.274 176 P C -1.419 175.878 177.300 -0.005 0.000 1.237 176 P CA -0.326 62.794 63.100 0.034 0.000 0.793 176 P CB 0.455 32.248 31.700 0.156 0.000 0.977 177 Y N 0.612 121.134 120.300 0.370 0.000 2.535 177 Y HA 0.580 5.130 4.550 -0.000 0.000 0.349 177 Y C 1.340 177.464 175.900 0.373 0.000 0.992 177 Y CA 0.469 58.723 58.100 0.256 0.000 1.248 177 Y CB 0.409 38.955 38.460 0.144 0.000 1.124 177 Y HN 0.580 nan 8.280 nan 0.000 0.520 178 G N 2.155 111.197 108.800 0.403 0.000 2.596 178 G HA2 0.289 4.249 3.960 -0.000 0.000 0.296 178 G HA3 0.289 4.249 3.960 -0.000 0.000 0.296 178 G C -0.194 174.836 174.900 0.217 0.000 1.513 178 G CA -0.777 44.567 45.100 0.408 0.000 0.851 178 G HN 0.266 nan 8.290 nan 0.000 0.548 179 I N 0.733 121.340 120.570 0.062 0.000 2.141 179 I HA 0.033 4.203 4.170 -0.000 0.000 0.236 179 I C 2.544 178.769 176.117 0.179 0.000 1.071 179 I CA 1.278 62.540 61.300 -0.063 0.000 1.345 179 I CB -0.996 36.622 38.000 -0.637 0.000 1.066 179 I HN 0.461 nan 8.210 nan 0.000 0.406 180 F N 1.944 121.852 119.950 -0.070 0.000 2.146 180 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 180 F C 3.038 178.876 175.800 0.063 0.000 1.096 180 F CA 1.222 59.182 58.000 -0.068 0.000 1.275 180 F CB -1.695 37.176 39.000 -0.214 0.000 1.008 180 F HN 0.183 nan 8.300 nan 0.000 0.480 181 S N 0.063 115.952 115.700 0.314 0.000 2.402 181 S HA -0.280 4.190 4.470 -0.000 0.000 0.233 181 S C 2.074 176.875 174.600 0.335 0.000 1.030 181 S CA 1.691 60.070 58.200 0.299 0.000 1.003 181 S CB -1.222 62.158 63.200 0.300 0.000 0.813 181 S HN 0.669 nan 8.310 nan 0.000 0.477 182 H N 1.789 120.975 119.070 0.194 0.000 2.502 182 H HA 0.214 4.770 4.556 -0.000 0.000 0.283 182 H C 1.901 177.368 175.328 0.232 0.000 1.015 182 H CA 0.946 57.103 56.048 0.182 0.000 1.298 182 H CB -0.578 29.238 29.762 0.090 0.000 1.411 182 H HN 0.445 nan 8.280 nan 0.000 0.556 183 L N 0.802 121.943 121.223 -0.136 0.000 2.027 183 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 183 L C 2.365 179.259 176.870 0.040 0.000 1.074 183 L CA 1.378 56.139 54.840 -0.133 0.000 0.745 183 L CB -0.405 41.615 42.059 -0.065 0.000 0.898 183 L HN 0.132 nan 8.230 nan 0.000 0.433 184 D N -0.486 119.976 120.400 0.104 0.000 2.116 184 D HA -0.271 4.369 4.640 -0.000 0.000 0.193 184 D C 1.694 178.101 176.300 0.177 0.000 0.998 184 D CA 1.419 55.490 54.000 0.119 0.000 0.836 184 D CB -0.412 40.473 40.800 0.141 0.000 0.951 184 D HN 0.404 nan 8.370 nan 0.000 0.449 185 W N 1.617 122.961 121.300 0.073 0.000 2.318 185 W HA -0.266 4.394 4.660 -0.000 0.000 0.313 185 W C 2.413 178.996 176.519 0.107 0.000 1.221 185 W CA 2.644 60.052 57.345 0.105 0.000 1.266 185 W CB -0.518 29.017 29.460 0.125 0.000 1.150 185 W HN -0.103 nan 8.180 nan 0.000 0.496 186 T N 0.217 115.015 114.554 0.406 0.000 2.720 186 T HA -0.319 4.030 4.350 -0.000 0.000 0.268 186 T C 1.388 176.121 174.700 0.054 0.000 1.037 186 T CA 1.803 64.034 62.100 0.218 0.000 1.144 186 T CB -0.708 68.249 68.868 0.148 0.000 0.864 186 T HN 0.278 nan 8.240 nan 0.000 0.444 187 N N 1.396 120.114 118.700 0.030 0.000 2.106 187 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 187 N C 1.748 177.236 175.510 -0.037 0.000 1.029 187 N CA 1.254 54.295 53.050 -0.015 0.000 0.848 187 N CB -0.399 38.079 38.487 -0.015 0.000 1.007 187 N HN 0.137 nan 8.380 nan 0.000 0.423 188 N N 0.080 118.750 118.700 -0.051 0.000 2.036 188 N HA -0.180 4.560 4.740 -0.000 0.000 0.195 188 N C 1.482 176.899 175.510 -0.154 0.000 1.037 188 N CA 0.985 53.969 53.050 -0.110 0.000 0.855 188 N CB -0.853 37.556 38.487 -0.130 0.000 1.033 188 N HN 0.305 nan 8.380 nan 0.000 0.423 189 F N 1.327 121.042 119.950 -0.392 0.000 2.087 189 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 189 F C 2.745 178.517 175.800 -0.046 0.000 1.100 189 F CA 1.896 59.690 58.000 -0.344 0.000 1.226 189 F CB -0.593 38.031 39.000 -0.627 0.000 0.983 189 F HN 0.031 nan 8.300 nan 0.000 0.479 190 S N 0.059 115.842 115.700 0.138 0.000 2.355 190 S HA -0.149 4.321 4.470 -0.000 0.000 0.222 190 S C 2.170 176.760 174.600 -0.018 0.000 1.031 190 S CA 1.388 59.626 58.200 0.063 0.000 0.993 190 S CB -0.584 62.569 63.200 -0.078 0.000 0.859 190 S HN 0.434 nan 8.310 nan 0.000 0.453 191 L N 0.965 122.146 121.223 -0.071 0.000 2.013 191 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 191 L C 2.517 179.311 176.870 -0.127 0.000 1.073 191 L CA 1.305 56.094 54.840 -0.085 0.000 0.753 191 L CB -0.652 41.353 42.059 -0.090 0.000 0.890 191 L HN 0.250 nan 8.230 nan 0.000 0.432 192 V N -1.208 118.562 119.914 -0.241 0.000 3.041 192 V HA -0.211 3.909 4.120 -0.000 0.000 0.260 192 V C 1.203 176.974 176.094 -0.538 0.000 1.105 192 V CA 1.341 63.405 62.300 -0.393 0.000 1.125 192 V CB -0.724 30.795 31.823 -0.507 0.000 0.730 192 V HN 0.481 nan 8.190 nan 0.000 0.479 193 H N -0.543 118.413 119.070 -0.190 0.000 2.487 193 H HA 0.439 4.995 4.556 -0.000 0.000 0.290 193 H C 1.508 176.891 175.328 0.091 0.000 1.081 193 H CA 0.499 56.488 56.048 -0.099 0.000 1.116 193 H CB 0.235 29.933 29.762 -0.107 0.000 1.560 193 H HN 0.356 nan 8.280 nan 0.000 0.548 194 G N 1.710 110.592 108.800 0.137 0.000 2.147 194 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.244 194 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.244 194 G C -0.315 174.801 174.900 0.360 0.000 1.005 194 G CA 0.181 45.415 45.100 0.224 0.000 0.713 194 G HN 0.640 nan 8.290 nan 0.000 0.515 195 N N -2.379 116.461 118.700 0.233 0.000 3.596 195 N HA -0.122 4.618 4.740 -0.000 0.000 0.265 195 N C 0.683 176.237 175.510 0.074 0.000 1.939 195 N CA 0.681 53.793 53.050 0.104 0.000 2.197 195 N CB -1.156 37.413 38.487 0.138 0.000 0.622 195 N HN 0.551 nan 8.380 nan 0.000 0.510 196 L N 3.880 124.996 121.223 -0.179 0.000 2.456 196 L HA 0.172 4.512 4.340 -0.000 0.000 0.224 196 L C 1.738 178.402 176.870 -0.343 0.000 1.148 196 L CA 1.136 55.769 54.840 -0.346 0.000 0.825 196 L CB -0.632 41.062 42.059 -0.607 0.000 0.937 196 L HN 0.625 nan 8.230 nan 0.000 0.450 197 F N -1.579 118.215 119.950 -0.260 0.000 2.307 197 F HA -0.205 4.321 4.527 -0.000 0.000 0.301 197 F C 1.705 177.411 175.800 -0.157 0.000 1.076 197 F CA 0.753 58.643 58.000 -0.184 0.000 1.383 197 F CB -1.020 37.805 39.000 -0.293 0.000 1.055 197 F HN 0.170 nan 8.300 nan 0.000 0.526 198 Y N -1.460 119.003 120.300 0.272 0.000 2.466 198 Y HA 0.118 4.668 4.550 -0.000 0.000 0.272 198 Y C 0.984 176.986 175.900 0.170 0.000 1.169 198 Y CA -0.693 57.586 58.100 0.297 0.000 1.285 198 Y CB -0.693 38.029 38.460 0.436 0.000 1.078 198 Y HN -0.154 nan 8.280 nan 0.000 0.523 199 N N 2.935 121.556 118.700 -0.131 0.000 2.411 199 N HA 0.046 4.786 4.740 -0.000 0.000 0.259 199 N C -1.809 173.493 175.510 -0.346 0.000 1.103 199 N CA -1.950 50.584 53.050 -0.859 0.000 0.954 199 N CB 1.320 38.956 38.487 -1.419 0.000 1.085 199 N HN 0.012 nan 8.380 nan 0.000 0.485 200 P HA -0.100 nan 4.420 nan 0.000 0.220 200 P C 1.086 178.221 177.300 -0.274 0.000 1.148 200 P CA 1.094 64.084 63.100 -0.184 0.000 0.803 200 P CB 0.025 31.617 31.700 -0.180 0.000 0.782 201 F N -0.832 119.018 119.950 -0.167 0.000 2.325 201 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 201 F C 2.830 178.612 175.800 -0.032 0.000 1.090 201 F CA 1.034 58.995 58.000 -0.066 0.000 1.392 201 F CB -1.192 37.768 39.000 -0.067 0.000 1.053 201 F HN 0.105 nan 8.300 nan 0.000 0.521 202 H N -0.136 118.912 119.070 -0.036 0.000 2.326 202 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 202 H C 2.426 177.744 175.328 -0.016 0.000 1.081 202 H CA 1.432 57.462 56.048 -0.030 0.000 1.334 202 H CB -0.441 29.265 29.762 -0.092 0.000 1.385 202 H HN 0.318 nan 8.280 nan 0.000 0.504 203 G N 1.189 109.981 108.800 -0.013 0.000 2.440 203 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 203 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 203 G C 2.007 176.802 174.900 -0.176 0.000 1.154 203 G CA 0.687 45.728 45.100 -0.098 0.000 0.767 203 G HN 0.342 nan 8.290 nan 0.000 0.552 204 L N 0.226 121.381 121.223 -0.113 0.000 2.056 204 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 204 L C 3.125 179.973 176.870 -0.036 0.000 1.078 204 L CA 1.123 55.889 54.840 -0.123 0.000 0.749 204 L CB -0.415 41.681 42.059 0.061 0.000 0.901 204 L HN 0.307 nan 8.230 nan 0.000 0.433 205 S N 0.208 115.958 115.700 0.085 0.000 2.365 205 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 205 S C 1.925 176.486 174.600 -0.065 0.000 1.039 205 S CA 1.532 59.801 58.200 0.115 0.000 1.033 205 S CB -0.247 62.975 63.200 0.037 0.000 0.887 205 S HN 0.282 nan 8.310 nan 0.000 0.447 206 I N 1.275 121.669 120.570 -0.295 0.000 2.226 206 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 206 I C 2.686 178.474 176.117 -0.547 0.000 1.100 206 I CA 0.993 61.989 61.300 -0.507 0.000 1.374 206 I CB -0.522 37.101 38.000 -0.627 0.000 1.057 206 I HN 0.338 nan 8.210 nan 0.000 0.413 207 A N 1.009 123.568 122.820 -0.435 0.000 1.892 207 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 207 A C 2.031 179.426 177.584 -0.314 0.000 1.188 207 A CA 1.853 53.641 52.037 -0.414 0.000 0.631 207 A CB -0.977 17.692 19.000 -0.551 0.000 0.822 207 A HN 0.358 nan 8.150 nan 0.000 0.447 208 F N -1.092 118.853 119.950 -0.009 0.000 2.259 208 F HA -0.003 4.523 4.527 -0.000 0.000 0.298 208 F C 1.967 177.811 175.800 0.072 0.000 1.088 208 F CA 0.851 58.885 58.000 0.057 0.000 1.358 208 F CB -0.660 38.387 39.000 0.078 0.000 1.040 208 F HN 0.237 nan 8.300 nan 0.000 0.505 209 L N -0.868 120.460 121.223 0.175 0.000 2.023 209 L HA -0.188 4.152 4.340 -0.000 0.000 0.205 209 L C 2.266 179.287 176.870 0.251 0.000 1.073 209 L CA 1.865 56.806 54.840 0.169 0.000 0.745 209 L CB -1.190 40.916 42.059 0.079 0.000 0.900 209 L HN 0.029 nan 8.230 nan 0.000 0.435 210 Y N 0.403 120.750 120.300 0.078 0.000 2.128 210 Y HA -0.119 4.431 4.550 -0.000 0.000 0.284 210 Y C 2.611 178.558 175.900 0.078 0.000 1.154 210 Y CA 0.875 59.011 58.100 0.060 0.000 1.149 210 Y CB -1.723 36.749 38.460 0.019 0.000 0.976 210 Y HN 0.277 nan 8.280 nan 0.000 0.505 211 G N -1.044 107.906 108.800 0.250 0.000 2.442 211 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 211 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 211 G C 1.959 176.980 174.900 0.200 0.000 1.141 211 G CA 1.334 46.553 45.100 0.198 0.000 0.763 211 G HN 0.412 nan 8.290 nan 0.000 0.554 212 S N 0.845 116.681 115.700 0.227 0.000 2.383 212 S HA 0.070 4.540 4.470 -0.000 0.000 0.227 212 S C 2.756 177.491 174.600 0.226 0.000 1.026 212 S CA 1.049 59.375 58.200 0.210 0.000 0.981 212 S CB -0.258 63.069 63.200 0.211 0.000 0.818 212 S HN 0.591 nan 8.310 nan 0.000 0.472 213 A N 1.482 124.429 122.820 0.211 0.000 1.898 213 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 213 A C 2.103 179.779 177.584 0.155 0.000 1.181 213 A CA 1.238 53.384 52.037 0.181 0.000 0.620 213 A CB -0.723 18.362 19.000 0.142 0.000 0.819 213 A HN 0.418 nan 8.150 nan 0.000 0.442 214 L N -0.773 120.530 121.223 0.133 0.000 1.989 214 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 214 L C 2.221 179.146 176.870 0.092 0.000 1.071 214 L CA 2.153 57.051 54.840 0.097 0.000 0.749 214 L CB -0.588 41.517 42.059 0.077 0.000 0.890 214 L HN 0.307 nan 8.230 nan 0.000 0.431 215 L N -1.700 119.580 121.223 0.095 0.000 2.093 215 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 215 L C 2.177 179.147 176.870 0.165 0.000 1.085 215 L CA 1.612 56.478 54.840 0.043 0.000 0.755 215 L CB -0.830 41.237 42.059 0.014 0.000 0.904 215 L HN 0.326 nan 8.230 nan 0.000 0.435 216 F N -0.253 119.733 119.950 0.060 0.000 2.335 216 F HA 0.143 4.670 4.527 -0.000 0.000 0.296 216 F C 2.349 178.196 175.800 0.078 0.000 1.091 216 F CA 0.503 58.558 58.000 0.092 0.000 1.399 216 F CB -0.862 38.194 39.000 0.093 0.000 1.067 216 F HN 0.138 nan 8.300 nan 0.000 0.520 217 A N 0.279 123.238 122.820 0.231 0.000 1.883 217 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 217 A C 2.339 180.007 177.584 0.140 0.000 1.186 217 A CA 2.024 54.132 52.037 0.118 0.000 0.624 217 A CB -0.758 18.296 19.000 0.089 0.000 0.822 217 A HN 0.387 nan 8.150 nan 0.000 0.444 218 M N -2.098 117.594 119.600 0.153 0.000 2.067 218 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 218 M C 2.319 178.730 176.300 0.185 0.000 1.069 218 M CA 2.141 57.541 55.300 0.166 0.000 1.117 218 M CB -0.478 32.073 32.600 -0.082 0.000 1.334 218 M HN 0.710 nan 8.290 nan 0.000 0.407 219 H N -0.217 118.900 119.070 0.078 0.000 2.299 219 H HA -0.017 4.539 4.556 -0.000 0.000 0.302 219 H C 1.964 177.375 175.328 0.138 0.000 1.078 219 H CA 2.140 58.231 56.048 0.071 0.000 1.323 219 H CB -0.669 29.111 29.762 0.029 0.000 1.381 219 H HN 0.308 nan 8.280 nan 0.000 0.498 220 G N 0.014 108.889 108.800 0.126 0.000 2.440 220 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 220 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 220 G C 1.919 176.767 174.900 -0.086 0.000 1.154 220 G CA 1.105 46.193 45.100 -0.019 0.000 0.767 220 G HN 0.625 nan 8.290 nan 0.000 0.552 221 A N 0.147 122.946 122.820 -0.035 0.000 1.902 221 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 221 A C 2.534 180.058 177.584 -0.100 0.000 1.181 221 A CA 2.460 54.459 52.037 -0.063 0.000 0.623 221 A CB -0.899 18.088 19.000 -0.021 0.000 0.818 221 A HN 0.303 nan 8.150 nan 0.000 0.443 222 T N 0.407 114.926 114.554 -0.059 0.000 2.737 222 T HA -0.080 4.269 4.350 -0.000 0.000 0.265 222 T C 1.805 176.447 174.700 -0.097 0.000 1.038 222 T CA 1.382 63.445 62.100 -0.062 0.000 1.144 222 T CB -0.269 68.675 68.868 0.128 0.000 0.866 222 T HN 0.285 nan 8.240 nan 0.000 0.434 223 I N 1.253 121.725 120.570 -0.164 0.000 2.226 223 I HA -0.080 4.090 4.170 -0.000 0.000 0.245 223 I C 2.324 178.383 176.117 -0.096 0.000 1.100 223 I CA 1.219 62.437 61.300 -0.136 0.000 1.374 223 I CB -1.301 36.578 38.000 -0.202 0.000 1.057 223 I HN 0.276 nan 8.210 nan 0.000 0.413 224 L N 0.454 121.605 121.223 -0.121 0.000 2.056 224 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 224 L C 2.729 179.532 176.870 -0.110 0.000 1.078 224 L CA 1.253 56.018 54.840 -0.125 0.000 0.749 224 L CB -0.670 41.297 42.059 -0.153 0.000 0.901 224 L HN 0.176 nan 8.230 nan 0.000 0.433 225 A N -0.024 122.730 122.820 -0.110 0.000 2.019 225 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 225 A C 1.850 179.434 177.584 0.000 0.000 1.164 225 A CA 1.730 53.712 52.037 -0.092 0.000 0.644 225 A CB -0.580 18.322 19.000 -0.163 0.000 0.805 225 A HN 0.366 nan 8.150 nan 0.000 0.449 226 V N -1.873 118.064 119.914 0.039 0.000 3.177 226 V HA 0.172 4.291 4.120 -0.000 0.000 0.342 226 V C 1.382 177.558 176.094 0.138 0.000 1.379 226 V CA 0.814 63.244 62.300 0.216 0.000 1.191 226 V CB -0.715 31.232 31.823 0.206 0.000 1.167 226 V HN 0.514 nan 8.190 nan 0.000 0.471 227 S N 1.953 117.648 115.700 -0.008 0.000 2.461 227 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 227 S C 1.940 176.479 174.600 -0.101 0.000 1.005 227 S CA 0.895 59.073 58.200 -0.037 0.000 0.942 227 S CB -0.600 62.566 63.200 -0.057 0.000 0.776 227 S HN 0.848 nan 8.310 nan 0.000 0.514 228 R N 0.581 120.932 120.500 -0.248 0.000 2.293 228 R HA 0.032 4.372 4.340 -0.000 0.000 0.219 228 R C 0.352 176.278 176.300 -0.623 0.000 1.091 228 R CA 1.073 56.903 56.100 -0.450 0.000 1.004 228 R CB -0.755 29.169 30.300 -0.626 0.000 0.865 228 R HN 0.551 nan 8.270 nan 0.000 0.469 229 F N 0.294 120.243 119.950 -0.001 0.000 2.668 229 F HA 0.464 4.991 4.527 -0.000 0.000 0.301 229 F C 1.149 176.951 175.800 0.002 0.000 1.106 229 F CA -0.211 57.790 58.000 0.001 0.000 1.289 229 F CB 1.065 40.063 39.000 -0.003 0.000 1.006 229 F HN 0.178 nan 8.300 nan 0.000 0.535 230 G N 0.683 109.529 108.800 0.077 0.000 2.176 230 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 230 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 230 G C 1.399 176.342 174.900 0.073 0.000 1.024 230 G CA 0.184 45.320 45.100 0.061 0.000 0.755 230 G HN 0.678 nan 8.290 nan 0.000 0.507 231 G N 0.993 109.847 108.800 0.091 0.000 2.475 231 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.220 231 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.220 231 G C 1.441 176.372 174.900 0.053 0.000 1.125 231 G CA 1.506 46.654 45.100 0.081 0.000 0.755 231 G HN 0.904 nan 8.290 nan 0.000 0.565 232 E N 0.884 121.101 120.200 0.030 0.000 2.511 232 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 232 E C 0.921 177.539 176.600 0.031 0.000 1.066 232 E CA -0.014 56.401 56.400 0.025 0.000 0.871 232 E CB -0.174 29.525 29.700 -0.001 0.000 0.863 232 E HN 0.311 nan 8.360 nan 0.000 0.520 233 R N 1.534 122.053 120.500 0.031 0.000 4.071 233 R HA 0.152 4.492 4.340 -0.000 0.000 0.220 233 R C 0.785 177.102 176.300 0.028 0.000 1.614 233 R CA -0.055 56.058 56.100 0.022 0.000 1.505 233 R CB 0.176 30.488 30.300 0.021 0.000 1.384 233 R HN 0.241 nan 8.270 nan 0.000 0.758 234 E N 0.724 120.942 120.200 0.029 0.000 2.106 234 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 234 E C 1.387 177.991 176.600 0.007 0.000 0.984 234 E CA 1.018 57.444 56.400 0.044 0.000 0.806 234 E CB 0.088 29.823 29.700 0.060 0.000 0.750 234 E HN 0.453 nan 8.360 nan 0.000 0.458 235 L N 0.794 122.001 121.223 -0.027 0.000 2.017 235 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 235 L C 2.576 179.440 176.870 -0.011 0.000 1.073 235 L CA 1.189 56.007 54.840 -0.036 0.000 0.745 235 L CB -0.223 41.806 42.059 -0.051 0.000 0.894 235 L HN 0.071 nan 8.230 nan 0.000 0.432 236 E N -0.372 119.827 120.200 -0.002 0.000 2.204 236 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 236 E C 2.209 178.819 176.600 0.017 0.000 0.989 236 E CA 0.949 57.352 56.400 0.006 0.000 0.824 236 E CB 0.085 29.790 29.700 0.008 0.000 0.756 236 E HN 0.341 nan 8.360 nan 0.000 0.477 237 Q N -0.401 119.415 119.800 0.027 0.000 2.230 237 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 237 Q C 2.249 178.271 176.000 0.037 0.000 0.963 237 Q CA 0.781 56.606 55.803 0.038 0.000 0.866 237 Q CB 0.076 28.846 28.738 0.054 0.000 0.931 237 Q HN 0.445 nan 8.270 nan 0.000 0.452 238 I N 0.504 121.093 120.570 0.032 0.000 2.252 238 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 238 I C 2.215 178.344 176.117 0.020 0.000 1.102 238 I CA 1.125 62.443 61.300 0.029 0.000 1.385 238 I CB -0.258 37.751 38.000 0.015 0.000 1.064 238 I HN 0.040 nan 8.210 nan 0.000 0.414 239 A N -0.951 121.876 122.820 0.013 0.000 2.067 239 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 239 A C 0.637 178.229 177.584 0.013 0.000 1.156 239 A CA 1.131 53.174 52.037 0.010 0.000 0.683 239 A CB -0.011 18.991 19.000 0.003 0.000 0.808 239 A HN 0.408 nan 8.150 nan 0.000 0.455 240 D N -1.157 119.253 120.400 0.017 0.000 2.826 240 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 240 D C -0.444 175.867 176.300 0.020 0.000 1.329 240 D CA -0.395 53.615 54.000 0.017 0.000 0.854 240 D CB -0.075 40.733 40.800 0.015 0.000 1.494 240 D HN 0.241 nan 8.370 nan 0.000 0.540 241 R N 0.936 121.449 120.500 0.020 0.000 2.523 241 R HA 0.382 4.722 4.340 -0.000 0.000 0.281 241 R C 0.315 176.623 176.300 0.013 0.000 0.969 241 R CA 0.716 56.828 56.100 0.020 0.000 1.093 241 R CB 0.358 30.669 30.300 0.017 0.000 0.917 241 R HN 0.372 nan 8.270 nan 0.000 0.408 242 G N 0.501 109.308 108.800 0.012 0.000 2.788 242 G HA2 0.112 4.072 3.960 -0.000 0.000 0.293 242 G HA3 0.112 4.072 3.960 -0.000 0.000 0.293 242 G C 0.362 175.246 174.900 -0.027 0.000 1.305 242 G CA -0.389 44.716 45.100 0.008 0.000 1.005 242 G HN 0.567 nan 8.290 nan 0.000 0.496 243 T N -0.233 114.290 114.554 -0.052 0.000 2.929 243 T HA -0.037 4.312 4.350 -0.000 0.000 0.271 243 T C 2.536 177.074 174.700 -0.269 0.000 1.085 243 T CA 2.313 64.309 62.100 -0.173 0.000 1.125 243 T CB -0.514 68.215 68.868 -0.231 0.000 0.874 243 T HN 0.680 nan 8.240 nan 0.000 0.494 244 A N 1.247 124.005 122.820 -0.103 0.000 1.859 244 A HA 0.090 4.409 4.320 -0.000 0.000 0.217 244 A C 2.729 180.293 177.584 -0.035 0.000 1.198 244 A CA 2.187 54.218 52.037 -0.010 0.000 0.629 244 A CB -1.449 17.631 19.000 0.132 0.000 0.830 244 A HN 0.636 nan 8.150 nan 0.000 0.446 245 A N -0.591 122.225 122.820 -0.008 0.000 1.930 245 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 245 A C 1.927 179.495 177.584 -0.026 0.000 1.175 245 A CA 1.620 53.663 52.037 0.010 0.000 0.627 245 A CB -0.513 18.506 19.000 0.031 0.000 0.815 245 A HN 0.673 nan 8.150 nan 0.000 0.443 246 E N -0.368 119.789 120.200 -0.071 0.000 2.047 246 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 246 E C 2.300 178.801 176.600 -0.165 0.000 0.987 246 E CA 1.071 57.410 56.400 -0.102 0.000 0.799 246 E CB -0.196 29.442 29.700 -0.104 0.000 0.752 246 E HN 0.547 nan 8.360 nan 0.000 0.449 247 R N 0.664 121.033 120.500 -0.218 0.000 2.096 247 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 247 R C 2.361 178.564 176.300 -0.163 0.000 1.127 247 R CA 1.034 56.981 56.100 -0.256 0.000 0.968 247 R CB -0.295 29.798 30.300 -0.344 0.000 0.861 247 R HN 0.103 nan 8.270 nan 0.000 0.440 248 A N 1.503 124.280 122.820 -0.072 0.000 1.858 248 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 248 A C 2.431 180.093 177.584 0.130 0.000 1.190 248 A CA 1.671 53.734 52.037 0.045 0.000 0.617 248 A CB -0.866 18.182 19.000 0.079 0.000 0.827 248 A HN 0.374 nan 8.150 nan 0.000 0.443 249 A N -0.570 122.280 122.820 0.050 0.000 1.917 249 A HA -0.124 4.195 4.320 -0.000 0.000 0.219 249 A C 2.192 179.738 177.584 -0.063 0.000 1.182 249 A CA 1.766 53.826 52.037 0.038 0.000 0.633 249 A CB -0.611 18.387 19.000 -0.005 0.000 0.819 249 A HN 0.483 nan 8.150 nan 0.000 0.448 250 L N -2.446 118.623 121.223 -0.257 0.000 2.270 250 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 250 L C 2.332 178.731 176.870 -0.785 0.000 1.104 250 L CA 0.738 55.191 54.840 -0.646 0.000 0.804 250 L CB -0.335 41.194 42.059 -0.883 0.000 0.937 250 L HN 0.519 nan 8.230 nan 0.000 0.450 251 F N -0.036 119.565 119.950 -0.582 0.000 2.091 251 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 251 F C 1.872 177.370 175.800 -0.505 0.000 1.103 251 F CA 1.829 59.497 58.000 -0.553 0.000 1.228 251 F CB -0.295 38.324 39.000 -0.635 0.000 0.984 251 F HN 0.005 nan 8.300 nan 0.000 0.477 252 W N 0.185 121.464 121.300 -0.034 0.000 2.453 252 W HA 0.051 4.711 4.660 -0.000 0.000 0.289 252 W C 2.744 179.151 176.519 -0.186 0.000 1.215 252 W CA 0.922 58.203 57.345 -0.106 0.000 1.297 252 W CB -0.489 28.911 29.460 -0.101 0.000 1.113 252 W HN -0.145 nan 8.180 nan 0.000 0.551 253 R N -0.185 120.322 120.500 0.012 0.000 2.083 253 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 253 R C 1.913 178.327 176.300 0.190 0.000 1.137 253 R CA 2.209 58.352 56.100 0.071 0.000 0.951 253 R CB -0.652 29.674 30.300 0.044 0.000 0.851 253 R HN 0.115 nan 8.270 nan 0.000 0.434 254 W N 0.148 121.377 121.300 -0.119 0.000 2.436 254 W HA 0.026 4.686 4.660 -0.000 0.000 0.284 254 W C 2.158 178.549 176.519 -0.213 0.000 1.225 254 W CA 0.936 58.184 57.345 -0.162 0.000 1.271 254 W CB -1.106 28.229 29.460 -0.208 0.000 1.114 254 W HN 0.130 nan 8.180 nan 0.000 0.559 255 T N 0.992 115.471 114.554 -0.124 0.000 2.698 255 T HA -0.147 4.203 4.350 -0.000 0.000 0.260 255 T C 1.687 176.403 174.700 0.026 0.000 1.044 255 T CA 2.034 64.026 62.100 -0.179 0.000 1.149 255 T CB -0.357 68.229 68.868 -0.470 0.000 0.864 255 T HN 0.208 nan 8.240 nan 0.000 0.419 256 M N -0.751 118.922 119.600 0.122 0.000 2.347 256 M HA 0.605 5.085 4.480 -0.000 0.000 0.302 256 M C 1.258 177.743 176.300 0.309 0.000 1.051 256 M CA 0.245 55.675 55.300 0.217 0.000 0.988 256 M CB 0.998 33.764 32.600 0.276 0.000 1.475 256 M HN 0.312 nan 8.290 nan 0.000 0.530 257 G N 2.039 110.988 108.800 0.248 0.000 2.176 257 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 257 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 257 G C -0.234 174.906 174.900 0.400 0.000 0.979 257 G CA 0.441 45.709 45.100 0.280 0.000 0.641 257 G HN 0.871 nan 8.290 nan 0.000 0.530 258 F N -0.588 119.424 119.950 0.102 0.000 2.817 258 F HA 0.747 5.274 4.527 -0.000 0.000 0.317 258 F C -0.928 174.930 175.800 0.097 0.000 1.168 258 F CA -1.281 56.772 58.000 0.089 0.000 0.911 258 F CB 0.598 39.638 39.000 0.066 0.000 1.337 258 F HN 0.497 nan 8.300 nan 0.000 0.464 259 N N 1.047 119.655 118.700 -0.153 0.000 3.179 259 N HA 0.704 5.444 4.740 -0.000 0.000 0.250 259 N C -1.900 173.579 175.510 -0.053 0.000 1.507 259 N CA -0.574 52.351 53.050 -0.209 0.000 0.883 259 N CB 1.773 40.247 38.487 -0.022 0.000 1.435 259 N HN 1.116 nan 8.380 nan 0.000 0.532 260 A N -0.102 122.686 122.820 -0.054 0.000 2.284 260 A HA 0.806 5.126 4.320 -0.000 0.000 0.317 260 A C 0.185 177.817 177.584 0.080 0.000 1.120 260 A CA -0.181 51.889 52.037 0.054 0.000 0.900 260 A CB 0.618 19.607 19.000 -0.019 0.000 1.319 260 A HN 0.848 nan 8.150 nan 0.000 0.494 261 T N -3.031 111.588 114.554 0.107 0.000 2.938 261 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 261 T C 0.835 175.599 174.700 0.106 0.000 1.028 261 T CA -0.065 62.092 62.100 0.095 0.000 1.005 261 T CB 0.959 69.883 68.868 0.093 0.000 1.157 261 T HN 0.485 nan 8.240 nan 0.000 0.550 262 M N 0.229 119.898 119.600 0.115 0.000 2.200 262 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 262 M C 2.159 178.600 176.300 0.236 0.000 1.066 262 M CA 1.643 57.042 55.300 0.165 0.000 1.127 262 M CB -0.730 31.953 32.600 0.138 0.000 1.379 262 M HN 0.896 nan 8.290 nan 0.000 0.420 263 E N -1.103 119.196 120.200 0.164 0.000 2.046 263 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 263 E C 1.910 178.622 176.600 0.186 0.000 0.982 263 E CA 1.163 57.664 56.400 0.169 0.000 0.800 263 E CB -0.488 29.260 29.700 0.081 0.000 0.756 263 E HN 0.601 nan 8.360 nan 0.000 0.449 264 G N 1.163 110.044 108.800 0.136 0.000 2.443 264 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 264 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 264 G C 1.488 176.488 174.900 0.168 0.000 1.131 264 G CA 0.537 45.712 45.100 0.125 0.000 0.775 264 G HN 0.324 nan 8.290 nan 0.000 0.547 265 I N 0.555 121.175 120.570 0.083 0.000 2.454 265 I HA -0.062 4.108 4.170 -0.000 0.000 0.254 265 I C 2.187 178.136 176.117 -0.280 0.000 1.156 265 I CA 0.903 62.153 61.300 -0.083 0.000 1.433 265 I CB -0.303 37.488 38.000 -0.348 0.000 1.082 265 I HN 0.268 nan 8.210 nan 0.000 0.432 266 H N -0.598 118.435 119.070 -0.061 0.000 2.502 266 H HA 0.123 4.679 4.556 -0.000 0.000 0.283 266 H C 2.243 177.555 175.328 -0.026 0.000 1.015 266 H CA 0.874 56.860 56.048 -0.103 0.000 1.298 266 H CB -0.019 29.680 29.762 -0.106 0.000 1.411 266 H HN 0.247 nan 8.280 nan 0.000 0.556 267 R N -0.391 120.171 120.500 0.104 0.000 2.075 267 R HA -0.108 4.232 4.340 -0.000 0.000 0.226 267 R C 1.533 177.928 176.300 0.159 0.000 1.114 267 R CA 1.290 57.462 56.100 0.120 0.000 0.972 267 R CB -0.300 30.038 30.300 0.063 0.000 0.869 267 R HN 0.369 nan 8.270 nan 0.000 0.437 268 W N 1.145 122.482 121.300 0.062 0.000 2.338 268 W HA -0.191 4.469 4.660 -0.000 0.000 0.304 268 W C 2.577 179.097 176.519 0.001 0.000 1.212 268 W CA 1.234 58.605 57.345 0.043 0.000 1.264 268 W CB -0.406 29.030 29.460 -0.041 0.000 1.142 268 W HN 0.193 nan 8.180 nan 0.000 0.512 269 A N 0.270 123.148 122.820 0.097 0.000 1.845 269 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 269 A C 1.936 179.512 177.584 -0.013 0.000 1.195 269 A CA 1.810 53.812 52.037 -0.059 0.000 0.616 269 A CB -1.131 17.702 19.000 -0.279 0.000 0.832 269 A HN 0.332 nan 8.150 nan 0.000 0.443 270 I N -2.070 118.489 120.570 -0.019 0.000 2.208 270 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 270 I C 2.330 178.364 176.117 -0.138 0.000 1.097 270 I CA 1.658 62.897 61.300 -0.102 0.000 1.363 270 I CB -0.104 37.801 38.000 -0.159 0.000 1.051 270 I HN 0.623 nan 8.210 nan 0.000 0.413 271 W N -0.322 120.971 121.300 -0.011 0.000 2.409 271 W HA -0.180 4.480 4.660 -0.000 0.000 0.299 271 W C 2.444 178.915 176.519 -0.080 0.000 1.203 271 W CA 0.784 58.096 57.345 -0.054 0.000 1.298 271 W CB -0.382 29.029 29.460 -0.083 0.000 1.127 271 W HN 0.132 nan 8.180 nan 0.000 0.528 272 M N 1.122 120.861 119.600 0.232 0.000 2.082 272 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 272 M C 2.093 178.461 176.300 0.113 0.000 1.069 272 M CA 2.532 57.957 55.300 0.208 0.000 1.102 272 M CB -0.941 31.810 32.600 0.252 0.000 1.336 272 M HN -0.022 nan 8.290 nan 0.000 0.404 273 A N -1.354 121.511 122.820 0.074 0.000 1.855 273 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 273 A C 2.205 179.807 177.584 0.030 0.000 1.191 273 A CA 1.839 53.915 52.037 0.066 0.000 0.613 273 A CB -1.287 17.737 19.000 0.039 0.000 0.829 273 A HN 0.363 nan 8.150 nan 0.000 0.442 274 V N 0.083 119.980 119.914 -0.029 0.000 2.469 274 V HA -0.217 3.902 4.120 -0.000 0.000 0.251 274 V C 2.405 178.479 176.094 -0.032 0.000 1.064 274 V CA 1.841 64.110 62.300 -0.051 0.000 1.066 274 V CB -0.554 31.145 31.823 -0.206 0.000 0.667 274 V HN 0.551 nan 8.190 nan 0.000 0.461 275 L N -1.153 119.994 121.223 -0.127 0.000 2.395 275 L HA -0.055 4.285 4.340 -0.000 0.000 0.218 275 L C 2.250 179.047 176.870 -0.121 0.000 1.130 275 L CA 0.259 54.929 54.840 -0.283 0.000 0.826 275 L CB -0.321 41.137 42.059 -1.001 0.000 0.941 275 L HN 0.187 nan 8.230 nan 0.000 0.451 276 V N 0.132 120.064 119.914 0.030 0.000 2.219 276 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 276 V C 2.608 178.804 176.094 0.170 0.000 1.053 276 V CA 2.686 65.093 62.300 0.178 0.000 1.009 276 V CB -1.005 30.918 31.823 0.166 0.000 0.636 276 V HN 0.660 nan 8.190 nan 0.000 0.445 277 T N -2.450 112.199 114.554 0.157 0.000 3.067 277 T HA 0.054 4.404 4.350 -0.000 0.000 0.261 277 T C 1.804 176.694 174.700 0.317 0.000 1.110 277 T CA 0.727 62.947 62.100 0.200 0.000 1.113 277 T CB -0.141 68.840 68.868 0.190 0.000 0.917 277 T HN 0.275 nan 8.240 nan 0.000 0.499 278 L N 1.918 123.296 121.223 0.258 0.000 2.007 278 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 278 L C 3.270 180.326 176.870 0.311 0.000 1.073 278 L CA 1.934 56.937 54.840 0.271 0.000 0.744 278 L CB -0.720 41.393 42.059 0.089 0.000 0.898 278 L HN 0.476 nan 8.230 nan 0.000 0.435 279 T N -3.459 111.254 114.554 0.265 0.000 2.746 279 T HA -0.123 4.226 4.350 -0.000 0.000 0.267 279 T C 1.907 176.773 174.700 0.277 0.000 1.039 279 T CA 1.015 63.326 62.100 0.352 0.000 1.142 279 T CB -1.152 68.006 68.868 0.483 0.000 0.866 279 T HN 0.397 nan 8.240 nan 0.000 0.444 280 G N 1.305 110.247 108.800 0.236 0.000 2.446 280 G HA2 0.035 3.994 3.960 -0.000 0.000 0.217 280 G HA3 0.035 3.994 3.960 -0.000 0.000 0.217 280 G C 1.753 176.704 174.900 0.084 0.000 1.168 280 G CA 0.730 45.923 45.100 0.155 0.000 0.771 280 G HN 0.682 nan 8.290 nan 0.000 0.551 281 G N 0.800 109.664 108.800 0.106 0.000 2.408 281 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 281 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 281 G C 1.776 176.642 174.900 -0.056 0.000 1.150 281 G CA 0.761 45.751 45.100 -0.184 0.000 0.776 281 G HN 0.448 nan 8.290 nan 0.000 0.542 282 I N 1.293 121.959 120.570 0.159 0.000 2.142 282 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 282 I C 3.135 179.124 176.117 -0.214 0.000 1.078 282 I CA 1.097 62.337 61.300 -0.100 0.000 1.343 282 I CB -0.578 37.086 38.000 -0.560 0.000 1.046 282 I HN 0.229 nan 8.210 nan 0.000 0.405 283 G N 1.450 110.145 108.800 -0.175 0.000 2.505 283 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 283 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 283 G C 1.545 176.474 174.900 0.048 0.000 1.145 283 G CA 0.902 45.985 45.100 -0.028 0.000 0.761 283 G HN 0.224 nan 8.290 nan 0.000 0.571 284 I N 0.190 120.772 120.570 0.020 0.000 2.333 284 I HA 0.026 4.196 4.170 -0.000 0.000 0.246 284 I C 2.586 178.749 176.117 0.076 0.000 1.106 284 I CA 0.418 61.755 61.300 0.061 0.000 1.411 284 I CB -1.148 36.814 38.000 -0.063 0.000 1.082 284 I HN 0.145 nan 8.210 nan 0.000 0.420 285 L N 0.865 122.079 121.223 -0.015 0.000 2.083 285 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 285 L C 2.289 179.184 176.870 0.041 0.000 1.083 285 L CA 1.736 56.569 54.840 -0.012 0.000 0.752 285 L CB -0.602 41.439 42.059 -0.029 0.000 0.899 285 L HN 0.118 nan 8.230 nan 0.000 0.433 286 L N -1.151 120.117 121.223 0.076 0.000 2.217 286 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 286 L C 0.914 177.835 176.870 0.084 0.000 1.107 286 L CA 0.122 55.023 54.840 0.101 0.000 0.783 286 L CB -0.393 41.785 42.059 0.198 0.000 0.919 286 L HN 0.079 nan 8.230 nan 0.000 0.442 287 S N 0.041 115.828 115.700 0.146 0.000 2.455 287 S HA 0.369 4.839 4.470 -0.000 0.000 0.278 287 S C 1.078 175.580 174.600 -0.165 0.000 1.216 287 S CA 0.394 58.592 58.200 -0.003 0.000 1.055 287 S CB 0.941 64.146 63.200 0.009 0.000 0.939 287 S HN 0.557 nan 8.310 nan 0.000 0.494 288 G N 3.216 111.951 108.800 -0.110 0.000 2.284 288 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.247 288 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.247 288 G C 1.114 176.003 174.900 -0.018 0.000 1.012 288 G CA 0.956 46.068 45.100 0.020 0.000 0.618 288 G HN 0.810 nan 8.290 nan 0.000 0.521 289 T N -2.124 112.413 114.554 -0.028 0.000 2.852 289 T HA 0.335 4.685 4.350 -0.000 0.000 0.256 289 T C 2.083 176.758 174.700 -0.041 0.000 1.038 289 T CA 2.231 64.316 62.100 -0.026 0.000 1.141 289 T CB 0.079 68.941 68.868 -0.011 0.000 0.869 289 T HN 0.694 nan 8.240 nan 0.000 0.439 290 V N -0.006 119.869 119.914 -0.065 0.000 3.371 290 V HA 0.371 4.490 4.120 -0.000 0.000 0.246 290 V C 0.223 176.225 176.094 -0.153 0.000 1.303 290 V CA -0.150 62.105 62.300 -0.076 0.000 1.156 290 V CB 1.174 32.966 31.823 -0.050 0.000 0.929 290 V HN 0.326 nan 8.190 nan 0.000 0.459 291 V N 1.166 120.900 119.914 -0.301 0.000 2.444 291 V HA 0.441 4.561 4.120 -0.000 0.000 0.294 291 V C 0.072 175.906 176.094 -0.434 0.000 1.022 291 V CA -0.365 61.619 62.300 -0.528 0.000 0.850 291 V CB 1.610 32.645 31.823 -1.313 0.000 0.992 291 V HN 0.246 nan 8.190 nan 0.000 0.426 292 D N 2.257 122.503 120.400 -0.257 0.000 2.333 292 D HA 0.065 4.705 4.640 -0.000 0.000 0.208 292 D C 0.596 176.820 176.300 -0.127 0.000 0.984 292 D CA 0.907 54.831 54.000 -0.127 0.000 0.873 292 D CB 0.325 41.069 40.800 -0.094 0.000 0.935 292 D HN 0.488 nan 8.370 nan 0.000 0.521 293 N N -0.467 118.098 118.700 -0.226 0.000 2.699 293 N HA -0.000 4.740 4.740 -0.000 0.000 0.271 293 N C -0.284 175.214 175.510 -0.019 0.000 1.216 293 N CA -0.369 52.647 53.050 -0.057 0.000 0.844 293 N CB 0.231 38.734 38.487 0.027 0.000 1.462 293 N HN -0.127 nan 8.380 nan 0.000 0.555 294 W N 1.882 123.320 121.300 0.231 0.000 2.388 294 W HA -0.086 4.574 4.660 -0.000 0.000 0.294 294 W C 1.853 178.579 176.519 0.344 0.000 1.212 294 W CA 0.570 58.092 57.345 0.294 0.000 1.271 294 W CB -0.389 29.228 29.460 0.263 0.000 1.126 294 W HN 0.656 nan 8.180 nan 0.000 0.535 295 Y N 1.099 121.600 120.300 0.335 0.000 2.040 295 Y HA -0.381 4.169 4.550 -0.000 0.000 0.275 295 Y C 2.291 178.185 175.900 -0.011 0.000 1.171 295 Y CA 2.447 60.474 58.100 -0.123 0.000 1.123 295 Y CB -0.996 37.380 38.460 -0.140 0.000 0.963 295 Y HN -0.213 nan 8.280 nan 0.000 0.493 296 V N -0.823 119.119 119.914 0.046 0.000 2.295 296 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 296 V C 2.100 178.197 176.094 0.005 0.000 1.049 296 V CA 1.997 64.263 62.300 -0.056 0.000 1.024 296 V CB -1.221 30.629 31.823 0.046 0.000 0.648 296 V HN 0.724 nan 8.190 nan 0.000 0.447 297 W N 1.318 122.589 121.300 -0.049 0.000 2.304 297 W HA -0.208 4.452 4.660 -0.000 0.000 0.315 297 W C 2.369 178.962 176.519 0.124 0.000 1.233 297 W CA 2.360 59.740 57.345 0.058 0.000 1.261 297 W CB -0.810 28.644 29.460 -0.010 0.000 1.150 297 W HN 0.270 nan 8.180 nan 0.000 0.494 298 G N -0.370 108.612 108.800 0.303 0.000 2.469 298 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.219 298 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.219 298 G C 1.401 176.187 174.900 -0.190 0.000 1.150 298 G CA 1.220 46.372 45.100 0.087 0.000 0.763 298 G HN 0.286 nan 8.290 nan 0.000 0.561 299 Q N 0.494 120.114 119.800 -0.300 0.000 2.170 299 Q HA -0.046 4.293 4.340 -0.000 0.000 0.203 299 Q C 2.052 177.880 176.000 -0.286 0.000 0.976 299 Q CA 0.938 56.550 55.803 -0.319 0.000 0.858 299 Q CB -0.262 28.255 28.738 -0.367 0.000 0.907 299 Q HN 0.497 nan 8.270 nan 0.000 0.433 300 N N -0.380 118.114 118.700 -0.344 0.000 2.325 300 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 300 N C -0.086 174.951 175.510 -0.789 0.000 1.088 300 N CA 0.355 53.102 53.050 -0.505 0.000 0.879 300 N CB 0.480 38.662 38.487 -0.508 0.000 0.983 300 N HN 0.285 nan 8.380 nan 0.000 0.471 301 H N -0.012 118.734 119.070 -0.540 0.000 2.439 301 H HA 0.283 4.839 4.556 -0.000 0.000 0.228 301 H C 0.832 175.910 175.328 -0.417 0.000 1.423 301 H CA -0.116 55.554 56.048 -0.629 0.000 1.386 301 H CB 0.487 29.455 29.762 -1.323 0.000 1.641 301 H HN 0.149 nan 8.280 nan 0.000 0.508 302 G N 0.000 108.694 108.800 -0.176 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.052 45.100 -0.081 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925