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 3d46_1_G DATA FIRST_RESID 1 DATA SEQUENCE MENIMTLPKI KHVRAWFIGG ATAEKGAGGG DYHDQGGNHW IDDHIATPMS DATA SEQUENCE KYRDYEQSRQ SFGINVLGTL IVEVEAENRQ TGFAVSTAGE MGCFIVEKHL DATA SEQUENCE NRFIEGKCVS DIKLIHDQML GATMYYSGSG GLVMNTISCV DLALWDLFGK DATA SEQUENCE VVGLPVYKLL GGAVRDEIQF YATGARPDLA KEMGFIGGKM PTHWGPHDGD DATA SEQUENCE AGIRKDAAMV ADMREKCGPD FWLMLDCWMS QDVNYATKLA HACAPFNLKW DATA SEQUENCE IEECLPPQQY EGYRELKRNA PAGMMVTSGE HHGTLQSFRT LAETGIDIMQ DATA SEQUENCE PDVGWCGGLT TLVEIAALAK SRGQLVVPHG SSVYSHHAVI TFTNTPFSEF DATA SEQUENCE LMTSPDCSTL RPQFDPILLD EPVPVNGRIH KSVLDKPGFG VELNRDCHLK DATA SEQUENCE RPYSH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 E N 2.024 122.228 120.200 0.005 0.000 2.404 2 E HA 0.209 4.559 4.350 -0.000 0.000 0.261 2 E C -0.585 176.019 176.600 0.007 0.000 1.074 2 E CA -0.004 56.399 56.400 0.005 0.000 0.917 2 E CB 0.436 30.138 29.700 0.004 0.000 0.965 2 E HN 0.436 nan 8.360 nan 0.000 0.433 3 N N 1.781 120.485 118.700 0.007 0.000 2.492 3 N HA 0.067 4.807 4.740 -0.000 0.000 0.260 3 N C 0.512 176.027 175.510 0.010 0.000 1.215 3 N CA -0.042 53.013 53.050 0.008 0.000 0.923 3 N CB 0.506 38.997 38.487 0.007 0.000 1.092 3 N HN 0.401 nan 8.380 nan 0.000 0.448 4 I N -1.365 119.213 120.570 0.013 0.000 2.938 4 I HA 0.132 4.302 4.170 -0.000 0.000 0.285 4 I C 1.014 177.141 176.117 0.016 0.000 1.182 4 I CA -0.650 60.659 61.300 0.016 0.000 1.388 4 I CB 0.496 38.510 38.000 0.023 0.000 1.390 4 I HN 0.393 nan 8.210 nan 0.000 0.600 5 M N 4.586 124.197 119.600 0.017 0.000 2.251 5 M HA 0.084 4.564 4.480 -0.000 0.000 0.343 5 M C 0.215 176.530 176.300 0.025 0.000 1.245 5 M CA 0.185 55.494 55.300 0.016 0.000 1.061 5 M CB 0.399 33.005 32.600 0.010 0.000 1.723 5 M HN 0.922 nan 8.290 nan 0.000 0.449 6 T N 4.436 119.003 114.554 0.022 0.000 2.869 6 T HA 0.546 4.895 4.350 -0.000 0.000 0.295 6 T C -0.359 174.362 174.700 0.035 0.000 0.987 6 T CA -0.837 61.278 62.100 0.025 0.000 1.109 6 T CB 0.679 69.558 68.868 0.018 0.000 0.932 6 T HN 0.682 nan 8.240 nan 0.000 0.518 7 L N 4.421 125.670 121.223 0.042 0.000 2.365 7 L HA 0.556 4.895 4.340 -0.000 0.000 0.273 7 L C -1.819 175.074 176.870 0.039 0.000 1.000 7 L CA -2.321 52.554 54.840 0.058 0.000 0.819 7 L CB 2.159 44.273 42.059 0.091 0.000 1.284 7 L HN 0.614 nan 8.230 nan 0.000 0.418 8 P HA 0.299 nan 4.420 nan 0.000 0.278 8 P C -1.177 176.132 177.300 0.015 0.000 1.258 8 P CA -0.666 62.449 63.100 0.024 0.000 0.811 8 P CB 1.241 32.958 31.700 0.029 0.000 1.063 9 K N 0.739 121.139 120.400 -0.000 0.000 2.090 9 K HA 0.444 4.764 4.320 -0.000 0.000 0.249 9 K C 0.410 177.001 176.600 -0.015 0.000 0.995 9 K CA -0.899 55.381 56.287 -0.013 0.000 0.914 9 K CB 0.665 33.153 32.500 -0.021 0.000 1.057 9 K HN 0.462 nan 8.250 nan 0.000 0.462 10 I N 2.049 122.608 120.570 -0.019 0.000 2.416 10 I HA 0.025 4.194 4.170 -0.000 0.000 0.288 10 I C 1.663 177.748 176.117 -0.055 0.000 1.051 10 I CA 0.186 61.478 61.300 -0.014 0.000 1.375 10 I CB 0.878 38.879 38.000 0.002 0.000 1.407 10 I HN 0.572 nan 8.210 nan 0.000 0.516 11 K N 5.111 125.450 120.400 -0.102 0.000 2.172 11 K HA 0.138 4.458 4.320 -0.000 0.000 0.203 11 K C 0.200 176.563 176.600 -0.395 0.000 1.040 11 K CA 0.583 56.690 56.287 -0.301 0.000 0.974 11 K CB 0.457 32.705 32.500 -0.420 0.000 0.857 11 K HN 0.563 nan 8.250 nan 0.000 0.464 12 H N -0.939 118.166 119.070 0.058 0.000 2.928 12 H HA 0.372 4.928 4.556 -0.000 0.000 0.371 12 H C -1.534 173.851 175.328 0.095 0.000 1.186 12 H CA -0.838 55.252 56.048 0.071 0.000 1.134 12 H CB 1.897 31.683 29.762 0.040 0.000 1.824 12 H HN -0.065 nan 8.280 nan 0.000 0.554 13 V N 2.648 122.722 119.914 0.267 0.000 2.638 13 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 13 V C -1.116 175.067 176.094 0.149 0.000 1.052 13 V CA -0.588 61.819 62.300 0.179 0.000 0.885 13 V CB 1.621 33.513 31.823 0.116 0.000 0.999 13 V HN 0.609 nan 8.190 nan 0.000 0.424 14 R N 4.256 124.775 120.500 0.031 0.000 2.750 14 R HA 0.888 5.227 4.340 -0.000 0.000 0.281 14 R C -0.841 175.261 176.300 -0.329 0.000 0.972 14 R CA -0.443 55.505 56.100 -0.255 0.000 0.912 14 R CB 2.061 32.029 30.300 -0.553 0.000 1.187 14 R HN 0.888 nan 8.270 nan 0.000 0.464 15 A N 2.098 124.639 122.820 -0.465 0.000 2.393 15 A HA 0.820 5.140 4.320 -0.000 0.000 0.306 15 A C -1.361 176.049 177.584 -0.289 0.000 1.050 15 A CA -0.675 51.247 52.037 -0.191 0.000 0.724 15 A CB 1.535 20.542 19.000 0.011 0.000 1.248 15 A HN 0.554 nan 8.150 nan 0.000 0.424 16 W N 0.773 122.162 121.300 0.148 0.000 3.017 16 W HA 0.694 5.354 4.660 -0.000 0.000 0.341 16 W C -0.993 175.645 176.519 0.198 0.000 1.180 16 W CA -0.503 56.908 57.345 0.110 0.000 1.097 16 W CB 2.056 31.520 29.460 0.007 0.000 1.468 16 W HN 0.805 nan 8.180 nan 0.000 0.584 17 F N 0.791 120.907 119.950 0.277 0.000 2.645 17 F HA 0.802 5.329 4.527 -0.000 0.000 0.310 17 F C -1.228 174.625 175.800 0.088 0.000 1.102 17 F CA -1.542 56.549 58.000 0.151 0.000 0.952 17 F CB 0.930 39.995 39.000 0.108 0.000 1.326 17 F HN 0.232 nan 8.300 nan 0.000 0.456 18 I N -0.060 120.636 120.570 0.209 0.000 2.969 18 I HA 0.985 5.155 4.170 -0.000 0.000 0.307 18 I C 0.183 176.438 176.117 0.231 0.000 1.149 18 I CA -0.826 60.512 61.300 0.064 0.000 1.008 18 I CB 1.760 39.771 38.000 0.018 0.000 1.232 18 I HN 1.451 nan 8.210 nan 0.000 0.435 19 G N 2.097 110.996 108.800 0.165 0.000 2.697 19 G HA2 0.361 4.321 3.960 -0.000 0.000 0.240 19 G HA3 0.361 4.321 3.960 -0.000 0.000 0.240 19 G C 0.307 175.327 174.900 0.200 0.000 1.346 19 G CA 0.079 45.271 45.100 0.154 0.000 0.887 19 G HN 2.858 nan 8.290 nan 0.000 0.569 20 G N -2.701 106.164 108.800 0.109 0.000 2.795 20 G HA2 0.385 4.345 3.960 -0.000 0.000 0.664 20 G HA3 0.385 4.345 3.960 -0.000 0.000 0.664 20 G C 1.218 176.143 174.900 0.042 0.000 1.381 20 G CA 1.236 46.369 45.100 0.055 0.000 0.853 20 G HN 2.489 nan 8.290 nan 0.000 0.545 21 A N -0.978 121.840 122.820 -0.003 0.000 2.070 21 A HA 0.246 4.566 4.320 -0.000 0.000 0.220 21 A C 2.343 179.936 177.584 0.015 0.000 1.159 21 A CA 3.005 55.040 52.037 -0.003 0.000 0.656 21 A CB -0.582 18.403 19.000 -0.025 0.000 0.800 21 A HN 2.367 nan 8.150 nan 0.000 0.453 22 T N -4.433 110.135 114.554 0.024 0.000 3.134 22 T HA 0.695 5.045 4.350 -0.000 0.000 0.260 22 T C 0.412 175.234 174.700 0.203 0.000 1.027 22 T CA 0.501 62.647 62.100 0.078 0.000 0.913 22 T CB 0.127 69.010 68.868 0.025 0.000 1.046 22 T HN 0.655 nan 8.240 nan 0.000 0.553 23 A N 0.938 123.878 122.820 0.201 0.000 3.434 23 A HA 0.733 5.053 4.320 -0.000 0.000 0.247 23 A C -1.073 176.564 177.584 0.089 0.000 1.075 23 A CA -0.848 51.288 52.037 0.164 0.000 0.737 23 A CB 0.545 19.696 19.000 0.252 0.000 1.412 23 A HN 0.327 nan 8.150 nan 0.000 0.691 24 E N 1.421 121.660 120.200 0.065 0.000 2.105 24 E HA 0.235 4.585 4.350 -0.000 0.000 0.285 24 E C -0.640 175.993 176.600 0.055 0.000 1.055 24 E CA -0.547 55.886 56.400 0.055 0.000 0.843 24 E CB 0.395 30.126 29.700 0.051 0.000 1.067 24 E HN 0.288 nan 8.360 nan 0.000 0.398 25 K N 2.480 122.907 120.400 0.044 0.000 2.448 25 K HA 0.080 4.400 4.320 -0.000 0.000 0.278 25 K C 0.755 177.374 176.600 0.033 0.000 1.009 25 K CA 0.905 57.212 56.287 0.033 0.000 0.995 25 K CB 0.894 33.406 32.500 0.020 0.000 0.917 25 K HN 0.905 nan 8.250 nan 0.000 0.481 26 G N 1.271 110.088 108.800 0.028 0.000 2.132 26 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.234 26 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.234 26 G C 0.861 175.787 174.900 0.043 0.000 0.989 26 G CA 0.394 45.512 45.100 0.029 0.000 0.676 26 G HN 0.659 nan 8.290 nan 0.000 0.522 27 A N -0.424 122.426 122.820 0.050 0.000 2.121 27 A HA 0.482 4.801 4.320 -0.000 0.000 0.218 27 A C 2.900 180.521 177.584 0.063 0.000 1.154 27 A CA 2.043 54.115 52.037 0.058 0.000 0.679 27 A CB -0.583 18.455 19.000 0.064 0.000 0.795 27 A HN 2.652 nan 8.150 nan 0.000 0.458 28 G N -1.344 107.491 108.800 0.058 0.000 2.561 28 G HA2 0.106 4.066 3.960 -0.000 0.000 0.289 28 G HA3 0.106 4.066 3.960 -0.000 0.000 0.289 28 G C 1.517 176.465 174.900 0.080 0.000 1.169 28 G CA 1.147 46.287 45.100 0.067 0.000 0.980 28 G HN 2.327 nan 8.290 nan 0.000 0.550 29 G N -1.372 107.495 108.800 0.112 0.000 2.556 29 G HA2 0.134 4.094 3.960 -0.000 0.000 0.283 29 G HA3 0.134 4.094 3.960 -0.000 0.000 0.283 29 G C 1.996 176.964 174.900 0.113 0.000 1.177 29 G CA 2.219 47.389 45.100 0.117 0.000 0.978 29 G HN 2.433 nan 8.290 nan 0.000 0.554 30 G N 0.040 108.802 108.800 -0.064 0.000 2.422 30 G HA2 0.108 4.068 3.960 -0.000 0.000 0.218 30 G HA3 0.108 4.068 3.960 -0.000 0.000 0.218 30 G C 0.731 175.553 174.900 -0.130 0.000 1.140 30 G CA 1.481 46.428 45.100 -0.254 0.000 0.775 30 G HN 0.856 nan 8.290 nan 0.000 0.545 31 D N -0.261 120.135 120.400 -0.007 0.000 2.402 31 D HA 0.178 4.817 4.640 -0.000 0.000 0.235 31 D C 0.892 177.216 176.300 0.041 0.000 1.226 31 D CA -0.776 53.266 54.000 0.069 0.000 0.918 31 D CB 0.163 41.028 40.800 0.109 0.000 1.043 31 D HN 0.301 nan 8.370 nan 0.000 0.506 32 Y N 1.715 122.091 120.300 0.126 0.000 2.228 32 Y HA -0.216 4.333 4.550 -0.000 0.000 0.285 32 Y C 1.742 177.462 175.900 -0.300 0.000 1.178 32 Y CA 1.423 59.455 58.100 -0.113 0.000 1.202 32 Y CB -0.472 37.853 38.460 -0.226 0.000 0.974 32 Y HN 0.631 nan 8.280 nan 0.000 0.527 33 H N -2.036 117.134 119.070 0.168 0.000 2.539 33 H HA 0.061 4.617 4.556 -0.000 0.000 0.269 33 H C 0.245 175.514 175.328 -0.098 0.000 0.980 33 H CA 0.197 56.215 56.048 -0.049 0.000 1.152 33 H CB 0.138 29.868 29.762 -0.053 0.000 1.407 33 H HN 0.050 nan 8.280 nan 0.000 0.564 34 D N 1.812 122.235 120.400 0.039 0.000 2.713 34 D HA 0.024 4.664 4.640 -0.000 0.000 0.229 34 D C -0.224 176.062 176.300 -0.024 0.000 1.136 34 D CA -0.148 53.860 54.000 0.013 0.000 1.010 34 D CB -0.061 40.766 40.800 0.046 0.000 1.084 34 D HN 0.214 nan 8.370 nan 0.000 0.495 35 Q N 0.022 119.771 119.800 -0.086 0.000 2.385 35 Q HA 0.614 4.953 4.340 -0.000 0.000 0.262 35 Q C 0.727 176.711 176.000 -0.026 0.000 1.050 35 Q CA -1.013 54.734 55.803 -0.093 0.000 0.903 35 Q CB 0.910 29.446 28.738 -0.336 0.000 1.325 35 Q HN 0.319 nan 8.270 nan 0.000 0.485 36 G N -0.818 108.006 108.800 0.039 0.000 2.531 36 G HA2 0.511 4.471 3.960 -0.000 0.000 0.253 36 G HA3 0.511 4.471 3.960 -0.000 0.000 0.253 36 G C -0.084 174.849 174.900 0.055 0.000 1.439 36 G CA -0.065 45.064 45.100 0.049 0.000 1.056 36 G HN 0.486 nan 8.290 nan 0.000 0.555 37 G N -1.915 106.919 108.800 0.056 0.000 2.547 37 G HA2 0.366 4.326 3.960 -0.000 0.000 0.291 37 G HA3 0.366 4.326 3.960 -0.000 0.000 0.291 37 G C 0.260 175.206 174.900 0.077 0.000 1.211 37 G CA -0.014 45.118 45.100 0.053 0.000 0.950 37 G HN 0.694 nan 8.290 nan 0.000 0.504 38 N N -0.523 118.217 118.700 0.067 0.000 2.708 38 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 38 N C -0.253 175.310 175.510 0.088 0.000 1.097 38 N CA 0.984 54.075 53.050 0.068 0.000 0.710 38 N CB -1.239 37.278 38.487 0.050 0.000 1.032 38 N HN 0.686 nan 8.380 nan 0.000 0.551 39 H N 0.496 119.572 119.070 0.010 0.000 2.467 39 H HA 0.082 4.637 4.556 -0.000 0.000 0.326 39 H C 1.477 176.781 175.328 -0.039 0.000 1.094 39 H CA -0.446 55.595 56.048 -0.012 0.000 1.253 39 H CB 0.422 30.125 29.762 -0.099 0.000 1.439 39 H HN 0.351 nan 8.280 nan 0.000 0.479 40 W N 5.454 126.828 121.300 0.122 0.000 2.350 40 W HA -0.140 4.520 4.660 0.000 0.000 0.289 40 W C 0.954 177.612 176.519 0.232 0.000 1.215 40 W CA 0.429 57.867 57.345 0.154 0.000 1.236 40 W CB -0.834 28.677 29.460 0.085 0.000 1.130 40 W HN 0.544 nan 8.180 nan 0.000 0.541 41 I N 1.555 121.485 120.570 -1.066 0.000 3.241 41 I HA -0.197 3.973 4.170 -0.000 0.000 0.280 41 I C 0.891 176.695 176.117 -0.522 0.000 1.320 41 I CA 1.797 62.321 61.300 -1.293 0.000 1.413 41 I CB -0.399 36.816 38.000 -1.308 0.000 1.060 41 I HN -0.124 nan 8.210 nan 0.000 0.500 42 D N -0.477 119.767 120.400 -0.260 0.000 2.540 42 D HA 0.013 4.653 4.640 -0.000 0.000 0.229 42 D C -0.113 176.161 176.300 -0.043 0.000 1.250 42 D CA -0.172 53.725 54.000 -0.171 0.000 0.817 42 D CB 0.162 40.871 40.800 -0.151 0.000 1.060 42 D HN 0.046 nan 8.370 nan 0.000 0.508 43 D N 0.007 120.437 120.400 0.050 0.000 2.483 43 D HA 0.090 4.730 4.640 -0.000 0.000 0.220 43 D C -0.340 176.109 176.300 0.248 0.000 1.173 43 D CA -0.084 54.002 54.000 0.143 0.000 0.964 43 D CB -0.661 40.252 40.800 0.189 0.000 1.046 43 D HN 0.264 nan 8.370 nan 0.000 0.517 44 H N 2.451 121.543 119.070 0.036 0.000 2.604 44 H HA -0.180 4.376 4.556 -0.000 0.000 0.321 44 H C -0.419 174.947 175.328 0.063 0.000 1.132 44 H CA -0.036 56.015 56.048 0.005 0.000 1.129 44 H CB -0.861 28.840 29.762 -0.103 0.000 1.526 44 H HN 0.317 nan 8.280 nan 0.000 0.415 45 I N 1.156 121.755 120.570 0.049 0.000 2.441 45 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 45 I C 1.353 177.449 176.117 -0.034 0.000 1.049 45 I CA 0.320 61.592 61.300 -0.046 0.000 1.381 45 I CB 0.651 38.570 38.000 -0.134 0.000 1.409 45 I HN 0.493 nan 8.210 nan 0.000 0.523 46 A N 5.850 128.672 122.820 0.003 0.000 2.488 46 A HA 0.511 4.830 4.320 -0.000 0.000 0.249 46 A C 0.567 178.258 177.584 0.178 0.000 1.083 46 A CA 0.115 52.203 52.037 0.085 0.000 0.768 46 A CB -0.006 19.065 19.000 0.118 0.000 1.017 46 A HN 0.904 nan 8.150 nan 0.000 0.496 47 T N -0.678 113.989 114.554 0.188 0.000 2.762 47 T HA 0.610 4.960 4.350 -0.000 0.000 0.301 47 T C -2.707 172.059 174.700 0.109 0.000 1.299 47 T CA -1.149 61.120 62.100 0.283 0.000 1.005 47 T CB 1.266 70.338 68.868 0.341 0.000 1.377 47 T HN 0.119 nan 8.240 nan 0.000 0.504 48 P HA 0.107 nan 4.420 nan 0.000 0.228 48 P C 1.146 178.365 177.300 -0.134 0.000 1.151 48 P CA 0.757 63.805 63.100 -0.086 0.000 0.770 48 P CB 0.038 31.647 31.700 -0.152 0.000 0.786 49 M N -1.878 117.625 119.600 -0.163 0.000 2.414 49 M HA 0.090 4.570 4.480 -0.000 0.000 0.251 49 M C 1.593 177.917 176.300 0.039 0.000 1.116 49 M CA 0.762 56.009 55.300 -0.089 0.000 1.056 49 M CB -0.936 31.425 32.600 -0.398 0.000 1.388 49 M HN -0.036 nan 8.290 nan 0.000 0.487 50 S N 1.167 116.867 115.700 0.000 0.000 2.547 50 S HA -0.129 4.341 4.470 -0.000 0.000 0.235 50 S C 1.569 176.030 174.600 -0.231 0.000 0.980 50 S CA 0.724 58.923 58.200 -0.002 0.000 0.941 50 S CB -0.673 62.557 63.200 0.050 0.000 0.763 50 S HN 0.643 nan 8.310 nan 0.000 0.532 51 K N -0.406 119.659 120.400 -0.558 0.000 2.439 51 K HA 0.012 4.332 4.320 -0.000 0.000 0.197 51 K C -0.555 175.680 176.600 -0.609 0.000 1.041 51 K CA 0.244 55.877 56.287 -1.091 0.000 0.970 51 K CB -0.319 31.621 32.500 -0.933 0.000 0.773 51 K HN 0.400 nan 8.250 nan 0.000 0.479 52 Y N 1.968 122.181 120.300 -0.145 0.000 2.326 52 Y HA 0.242 4.792 4.550 -0.000 0.000 0.337 52 Y C 1.497 177.371 175.900 -0.044 0.000 1.023 52 Y CA -1.355 56.726 58.100 -0.031 0.000 1.143 52 Y CB 1.410 39.952 38.460 0.137 0.000 1.183 52 Y HN -0.077 nan 8.280 nan 0.000 0.485 53 R N 1.193 121.749 120.500 0.094 0.000 2.113 53 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 53 R C 0.675 176.937 176.300 -0.062 0.000 1.142 53 R CA 2.321 58.435 56.100 0.024 0.000 0.953 53 R CB 0.042 30.355 30.300 0.023 0.000 0.860 53 R HN 0.761 nan 8.270 nan 0.000 0.438 54 D N -0.984 119.294 120.400 -0.204 0.000 2.348 54 D HA -0.129 4.511 4.640 -0.000 0.000 0.216 54 D C 0.294 176.212 176.300 -0.637 0.000 0.970 54 D CA 1.069 54.779 54.000 -0.482 0.000 0.889 54 D CB 0.127 40.473 40.800 -0.756 0.000 0.912 54 D HN 0.413 nan 8.370 nan 0.000 0.524 55 Y N -0.278 120.075 120.300 0.087 0.000 2.682 55 Y HA 0.221 4.771 4.550 -0.000 0.000 0.251 55 Y C 1.745 177.690 175.900 0.074 0.000 1.172 55 Y CA -0.709 57.463 58.100 0.119 0.000 1.186 55 Y CB 0.169 38.745 38.460 0.194 0.000 1.216 55 Y HN -0.101 nan 8.280 nan 0.000 0.540 56 E N 0.574 120.811 120.200 0.062 0.000 2.076 56 E HA -0.211 4.139 4.350 -0.000 0.000 0.190 56 E C 1.934 178.374 176.600 -0.267 0.000 0.979 56 E CA 1.032 57.378 56.400 -0.089 0.000 0.807 56 E CB 0.326 29.977 29.700 -0.082 0.000 0.761 56 E HN 0.318 nan 8.360 nan 0.000 0.454 57 Q N 0.772 120.489 119.800 -0.138 0.000 2.123 57 Q HA 0.021 4.361 4.340 -0.000 0.000 0.199 57 Q C 0.138 176.108 176.000 -0.050 0.000 0.966 57 Q CA 0.897 56.647 55.803 -0.089 0.000 0.845 57 Q CB 0.256 29.007 28.738 0.022 0.000 0.907 57 Q HN 0.085 nan 8.270 nan 0.000 0.439 58 S N -0.784 114.900 115.700 -0.025 0.000 2.594 58 S HA 0.431 4.901 4.470 -0.000 0.000 0.296 58 S C 0.096 174.636 174.600 -0.100 0.000 1.124 58 S CA -0.779 57.387 58.200 -0.057 0.000 1.011 58 S CB 0.905 64.076 63.200 -0.048 0.000 1.016 58 S HN 0.365 nan 8.310 nan 0.000 0.485 59 R N 2.571 122.914 120.500 -0.262 0.000 2.115 59 R HA -0.025 4.314 4.340 -0.000 0.000 0.226 59 R C 1.925 177.657 176.300 -0.946 0.000 1.100 59 R CA 1.141 56.841 56.100 -0.666 0.000 0.980 59 R CB -0.121 29.779 30.300 -0.667 0.000 0.875 59 R HN 0.723 nan 8.270 nan 0.000 0.445 60 Q N 0.320 119.828 119.800 -0.485 0.000 2.124 60 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 60 Q C 2.228 178.069 176.000 -0.265 0.000 0.977 60 Q CA 1.948 57.538 55.803 -0.356 0.000 0.850 60 Q CB -0.057 28.564 28.738 -0.194 0.000 0.901 60 Q HN 0.357 nan 8.270 nan 0.000 0.429 61 S N 0.794 116.408 115.700 -0.143 0.000 2.400 61 S HA -0.170 4.299 4.470 -0.000 0.000 0.232 61 S C 1.613 176.321 174.600 0.179 0.000 1.025 61 S CA 1.228 59.468 58.200 0.066 0.000 0.993 61 S CB -0.551 62.749 63.200 0.166 0.000 0.808 61 S HN 0.563 nan 8.310 nan 0.000 0.478 62 F N 0.762 120.741 119.950 0.048 0.000 2.765 62 F HA 0.623 5.150 4.527 -0.000 0.000 0.302 62 F C 1.277 176.980 175.800 -0.162 0.000 1.111 62 F CA -0.620 57.242 58.000 -0.230 0.000 1.359 62 F CB -0.626 38.133 39.000 -0.402 0.000 1.097 62 F HN 0.327 nan 8.300 nan 0.000 0.577 63 G N 1.661 110.315 108.800 -0.243 0.000 2.167 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.194 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.194 63 G C 0.660 175.447 174.900 -0.188 0.000 1.027 63 G CA 0.140 45.154 45.100 -0.143 0.000 0.717 63 G HN 0.576 nan 8.290 nan 0.000 0.501 64 I N 0.482 120.746 120.570 -0.509 0.000 3.176 64 I HA -0.046 4.124 4.170 -0.000 0.000 0.275 64 I C 1.688 177.731 176.117 -0.123 0.000 1.298 64 I CA 1.546 62.650 61.300 -0.327 0.000 1.445 64 I CB 0.060 37.666 38.000 -0.657 0.000 1.075 64 I HN 0.396 nan 8.210 nan 0.000 0.482 65 N N 0.024 118.650 118.700 -0.123 0.000 2.204 65 N HA -0.043 4.697 4.740 -0.000 0.000 0.219 65 N C 1.239 176.738 175.510 -0.017 0.000 1.151 65 N CA 0.653 53.682 53.050 -0.035 0.000 0.867 65 N CB -0.504 37.950 38.487 -0.054 0.000 1.043 65 N HN 0.284 nan 8.380 nan 0.000 0.516 66 V N -1.708 118.190 119.914 -0.027 0.000 2.667 66 V HA 0.012 4.132 4.120 -0.000 0.000 0.252 66 V C 1.888 177.967 176.094 -0.026 0.000 1.065 66 V CA 0.871 63.156 62.300 -0.025 0.000 1.083 66 V CB -0.727 31.078 31.823 -0.031 0.000 0.692 66 V HN 0.153 nan 8.190 nan 0.000 0.468 67 L N 0.973 122.188 121.223 -0.012 0.000 2.068 67 L HA 0.436 4.776 4.340 -0.000 0.000 0.204 67 L C 1.761 178.633 176.870 0.003 0.000 1.076 67 L CA 1.033 55.860 54.840 -0.021 0.000 0.753 67 L CB -1.243 40.810 42.059 -0.010 0.000 0.910 67 L HN 0.663 nan 8.230 nan 0.000 0.439 68 G N -0.014 108.816 108.800 0.049 0.000 2.645 68 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 68 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 68 G C -0.222 174.742 174.900 0.107 0.000 1.331 68 G CA -0.308 44.847 45.100 0.092 0.000 0.890 68 G HN 0.124 nan 8.290 nan 0.000 0.572 69 T N 0.763 115.403 114.554 0.143 0.000 2.799 69 T HA 0.525 4.874 4.350 -0.000 0.000 0.286 69 T C 0.114 174.926 174.700 0.187 0.000 0.973 69 T CA 0.036 62.212 62.100 0.127 0.000 1.035 69 T CB 1.538 70.461 68.868 0.092 0.000 0.932 69 T HN 1.059 nan 8.240 nan 0.000 0.469 70 L N 4.466 125.777 121.223 0.146 0.000 2.309 70 L HA 0.723 5.063 4.340 -0.000 0.000 0.282 70 L C -1.315 175.662 176.870 0.178 0.000 1.036 70 L CA -0.419 54.532 54.840 0.185 0.000 0.806 70 L CB 0.614 42.756 42.059 0.139 0.000 1.220 70 L HN 0.545 nan 8.230 nan 0.000 0.429 71 I N 5.420 126.149 120.570 0.264 0.000 2.447 71 I HA 0.488 4.657 4.170 -0.000 0.000 0.287 71 I C -0.859 175.484 176.117 0.376 0.000 1.023 71 I CA -0.392 61.096 61.300 0.312 0.000 1.083 71 I CB 2.062 40.265 38.000 0.338 0.000 1.245 71 I HN 0.274 nan 8.210 nan 0.000 0.434 72 V N 5.615 125.727 119.914 0.329 0.000 2.448 72 V HA 0.487 4.606 4.120 -0.000 0.000 0.295 72 V C -0.339 175.988 176.094 0.388 0.000 1.025 72 V CA -0.623 61.855 62.300 0.295 0.000 0.859 72 V CB 1.838 33.769 31.823 0.179 0.000 0.988 72 V HN 0.732 nan 8.190 nan 0.000 0.431 73 E N 3.494 123.942 120.200 0.413 0.000 2.210 73 E HA 0.667 5.017 4.350 -0.000 0.000 0.266 73 E C -1.821 174.961 176.600 0.304 0.000 0.883 73 E CA -0.496 56.166 56.400 0.437 0.000 0.761 73 E CB 2.302 32.348 29.700 0.576 0.000 1.156 73 E HN 0.461 nan 8.360 nan 0.000 0.412 74 V N 3.986 124.060 119.914 0.267 0.000 2.459 74 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 74 V C -0.301 175.913 176.094 0.199 0.000 1.029 74 V CA -0.655 61.767 62.300 0.204 0.000 0.874 74 V CB 1.595 33.513 31.823 0.159 0.000 0.985 74 V HN 0.709 nan 8.190 nan 0.000 0.438 75 E N 3.003 123.315 120.200 0.187 0.000 2.176 75 E HA 0.713 5.062 4.350 -0.000 0.000 0.267 75 E C -0.357 176.303 176.600 0.100 0.000 0.893 75 E CA -0.561 55.940 56.400 0.168 0.000 0.761 75 E CB 1.862 31.696 29.700 0.225 0.000 1.133 75 E HN 0.855 nan 8.360 nan 0.000 0.409 76 A N 3.552 126.422 122.820 0.083 0.000 2.272 76 A HA 0.180 4.500 4.320 -0.000 0.000 0.275 76 A C 0.887 178.483 177.584 0.019 0.000 1.096 76 A CA -0.375 51.688 52.037 0.043 0.000 0.822 76 A CB 0.518 19.551 19.000 0.056 0.000 1.088 76 A HN 0.825 nan 8.150 nan 0.000 0.495 77 E N 0.870 121.066 120.200 -0.006 0.000 2.265 77 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 77 E C 0.741 177.348 176.600 0.011 0.000 0.996 77 E CA 1.307 57.697 56.400 -0.016 0.000 0.832 77 E CB -0.137 29.551 29.700 -0.021 0.000 0.756 77 E HN 0.754 nan 8.360 nan 0.000 0.491 78 N N 0.041 118.756 118.700 0.025 0.000 2.314 78 N HA -0.024 4.716 4.740 -0.000 0.000 0.200 78 N C 0.057 175.592 175.510 0.042 0.000 1.135 78 N CA 0.032 53.100 53.050 0.031 0.000 0.835 78 N CB 0.342 38.847 38.487 0.031 0.000 0.989 78 N HN -0.166 nan 8.380 nan 0.000 0.478 79 R N -1.586 118.945 120.500 0.053 0.000 3.922 79 R HA -0.182 4.157 4.340 -0.000 0.000 0.447 79 R C -0.438 175.909 176.300 0.079 0.000 1.035 79 R CA 1.118 57.260 56.100 0.070 0.000 1.289 79 R CB -2.381 27.955 30.300 0.060 0.000 1.906 79 R HN 0.543 nan 8.270 nan 0.000 0.540 80 Q N 0.581 120.426 119.800 0.075 0.000 2.394 80 Q HA 0.389 4.729 4.340 -0.000 0.000 0.248 80 Q C 0.464 176.531 176.000 0.113 0.000 0.992 80 Q CA 0.912 56.766 55.803 0.085 0.000 0.888 80 Q CB 1.121 29.904 28.738 0.074 0.000 1.257 80 Q HN 0.357 nan 8.270 nan 0.000 0.462 81 T N -2.031 112.604 114.554 0.135 0.000 2.916 81 T HA 0.830 5.180 4.350 -0.000 0.000 0.292 81 T C -0.278 174.556 174.700 0.223 0.000 1.064 81 T CA -0.771 61.437 62.100 0.179 0.000 1.011 81 T CB 2.015 70.996 68.868 0.188 0.000 1.152 81 T HN 0.640 nan 8.240 nan 0.000 0.510 82 G N 0.498 109.461 108.800 0.272 0.000 2.659 82 G HA2 0.764 4.724 3.960 -0.000 0.000 0.296 82 G HA3 0.764 4.724 3.960 -0.000 0.000 0.296 82 G C -1.491 173.661 174.900 0.421 0.000 1.369 82 G CA -1.098 44.190 45.100 0.314 0.000 0.937 82 G HN 1.139 nan 8.290 nan 0.000 0.485 83 F N -0.621 119.464 119.950 0.225 0.000 2.779 83 F HA 0.922 5.449 4.527 -0.000 0.000 0.316 83 F C -0.574 175.350 175.800 0.207 0.000 1.164 83 F CA -0.994 57.129 58.000 0.205 0.000 0.924 83 F CB 1.414 40.524 39.000 0.183 0.000 1.348 83 F HN 1.139 nan 8.300 nan 0.000 0.467 84 A N 0.764 123.570 122.820 -0.022 0.000 2.610 84 A HA 0.808 5.128 4.320 -0.000 0.000 0.291 84 A C -1.604 175.941 177.584 -0.065 0.000 1.086 84 A CA -0.241 51.615 52.037 -0.301 0.000 0.677 84 A CB 1.282 20.002 19.000 -0.468 0.000 1.278 84 A HN 2.182 nan 8.150 nan 0.000 0.414 85 V N -1.958 117.794 119.914 -0.269 0.000 3.040 85 V HA 1.017 5.137 4.120 -0.000 0.000 0.312 85 V C -0.262 175.640 176.094 -0.320 0.000 1.115 85 V CA 0.165 62.359 62.300 -0.177 0.000 0.998 85 V CB 1.302 33.027 31.823 -0.164 0.000 1.042 85 V HN 1.942 nan 8.190 nan 0.000 0.433 86 S N 0.845 116.459 115.700 -0.143 0.000 2.800 86 S HA 0.660 5.130 4.470 -0.000 0.000 0.293 86 S C -0.769 173.887 174.600 0.092 0.000 1.209 86 S CA -0.027 58.165 58.200 -0.013 0.000 0.884 86 S CB 1.833 65.084 63.200 0.084 0.000 1.244 86 S HN 1.116 nan 8.310 nan 0.000 0.540 87 T N 1.758 116.454 114.554 0.235 0.000 2.770 87 T HA 0.753 5.103 4.350 -0.000 0.000 0.297 87 T C 0.386 175.122 174.700 0.060 0.000 0.997 87 T CA 0.307 62.499 62.100 0.153 0.000 0.949 87 T CB 0.955 69.939 68.868 0.193 0.000 0.941 87 T HN 1.035 nan 8.240 nan 0.000 0.457 88 A N 2.404 125.256 122.820 0.053 0.000 2.031 88 A HA 0.597 4.916 4.320 -0.000 0.000 0.159 88 A C 1.249 178.840 177.584 0.012 0.000 2.021 88 A CA 0.633 52.686 52.037 0.026 0.000 1.557 88 A CB -0.753 18.276 19.000 0.049 0.000 1.617 88 A HN 1.543 nan 8.150 nan 0.000 0.297 89 G N 0.467 109.298 108.800 0.051 0.000 2.596 89 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.295 89 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.295 89 G C 0.832 175.663 174.900 -0.115 0.000 1.240 89 G CA 1.456 46.556 45.100 0.000 0.000 0.985 89 G HN 0.996 nan 8.290 nan 0.000 0.555 90 E N -0.348 119.508 120.200 -0.574 0.000 2.070 90 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 90 E C 2.833 179.446 176.600 0.022 0.000 1.004 90 E CA 1.916 58.034 56.400 -0.469 0.000 0.805 90 E CB -0.193 29.065 29.700 -0.737 0.000 0.744 90 E HN 0.559 nan 8.360 nan 0.000 0.451 91 M N -0.393 119.192 119.600 -0.026 0.000 2.159 91 M HA -0.080 4.399 4.480 -0.000 0.000 0.263 91 M C 2.323 178.689 176.300 0.109 0.000 1.063 91 M CA 1.414 56.737 55.300 0.040 0.000 1.110 91 M CB -0.210 32.365 32.600 -0.042 0.000 1.374 91 M HN 0.268 nan 8.290 nan 0.000 0.411 92 G N -0.491 108.362 108.800 0.089 0.000 2.422 92 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 92 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 92 G C 1.471 176.461 174.900 0.150 0.000 1.146 92 G CA 0.938 46.106 45.100 0.114 0.000 0.769 92 G HN 0.469 nan 8.290 nan 0.000 0.547 93 C N -0.288 119.135 119.300 0.205 0.000 2.425 93 C HA 0.036 4.496 4.460 -0.000 0.000 0.277 93 C C 2.390 177.475 174.990 0.159 0.000 1.280 93 C CA 0.597 59.764 59.018 0.248 0.000 1.744 93 C CB -1.217 26.767 27.740 0.407 0.000 1.989 93 C HN 0.491 nan 8.230 nan 0.000 0.491 94 F N 1.769 121.654 119.950 -0.109 0.000 2.069 94 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 94 F C 2.200 177.843 175.800 -0.263 0.000 1.113 94 F CA 1.729 59.370 58.000 -0.599 0.000 1.214 94 F CB -0.279 38.385 39.000 -0.561 0.000 0.978 94 F HN 0.041 nan 8.300 nan 0.000 0.474 95 I N 0.115 120.821 120.570 0.227 0.000 2.163 95 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 95 I C 2.465 178.616 176.117 0.056 0.000 1.085 95 I CA 1.260 62.693 61.300 0.221 0.000 1.347 95 I CB -1.628 36.517 38.000 0.240 0.000 1.044 95 I HN 0.091 nan 8.210 nan 0.000 0.408 96 V N 0.824 120.746 119.914 0.013 0.000 2.270 96 V HA -0.192 3.927 4.120 -0.000 0.000 0.245 96 V C 2.464 178.463 176.094 -0.158 0.000 1.043 96 V CA 1.594 63.873 62.300 -0.036 0.000 1.014 96 V CB -0.583 31.244 31.823 0.007 0.000 0.645 96 V HN 0.396 nan 8.190 nan 0.000 0.447 97 E N -0.055 120.028 120.200 -0.195 0.000 2.216 97 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 97 E C 1.769 178.116 176.600 -0.422 0.000 0.988 97 E CA 0.641 56.864 56.400 -0.295 0.000 0.834 97 E CB -0.022 29.637 29.700 -0.069 0.000 0.772 97 E HN 0.457 nan 8.360 nan 0.000 0.479 98 K N -0.755 119.353 120.400 -0.487 0.000 2.358 98 K HA 0.130 4.450 4.320 -0.000 0.000 0.200 98 K C 1.104 177.539 176.600 -0.276 0.000 1.030 98 K CA 0.240 56.208 56.287 -0.532 0.000 1.097 98 K CB 0.848 32.683 32.500 -1.107 0.000 0.862 98 K HN 0.322 nan 8.250 nan 0.000 0.534 99 H N -0.827 118.081 119.070 -0.270 0.000 1.985 99 H HA 0.226 4.781 4.556 -0.000 0.000 0.159 99 H C 1.563 176.829 175.328 -0.104 0.000 1.010 99 H CA -0.064 55.918 56.048 -0.109 0.000 1.075 99 H CB 0.395 30.205 29.762 0.080 0.000 0.963 99 H HN -0.148 nan 8.280 nan 0.000 0.330 100 L N 2.569 123.771 121.223 -0.036 0.000 2.191 100 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 100 L C 2.217 179.039 176.870 -0.080 0.000 1.103 100 L CA 1.184 56.016 54.840 -0.014 0.000 0.769 100 L CB -0.631 41.435 42.059 0.012 0.000 0.908 100 L HN 0.537 nan 8.230 nan 0.000 0.438 101 N N 2.212 120.794 118.700 -0.196 0.000 2.192 101 N HA -0.280 4.460 4.740 -0.000 0.000 0.188 101 N C 1.789 177.163 175.510 -0.226 0.000 1.013 101 N CA 1.783 54.694 53.050 -0.231 0.000 0.863 101 N CB -0.549 37.631 38.487 -0.512 0.000 0.990 101 N HN 0.553 nan 8.380 nan 0.000 0.430 102 R N -0.412 119.858 120.500 -0.383 0.000 2.189 102 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 102 R C 0.930 176.953 176.300 -0.462 0.000 1.092 102 R CA 1.091 56.915 56.100 -0.460 0.000 0.989 102 R CB -0.556 29.379 30.300 -0.608 0.000 0.876 102 R HN 0.173 nan 8.270 nan 0.000 0.457 103 F N 0.472 120.397 119.950 -0.041 0.000 2.714 103 F HA 0.313 4.840 4.527 -0.000 0.000 0.294 103 F C 1.847 177.623 175.800 -0.040 0.000 1.120 103 F CA -0.222 57.753 58.000 -0.042 0.000 1.398 103 F CB 0.023 38.986 39.000 -0.062 0.000 1.120 103 F HN -0.114 nan 8.300 nan 0.000 0.589 104 I N -0.406 120.215 120.570 0.086 0.000 2.364 104 I HA -0.041 4.128 4.170 -0.000 0.000 0.241 104 I C 0.602 176.734 176.117 0.025 0.000 1.082 104 I CA 0.404 61.736 61.300 0.053 0.000 1.401 104 I CB -0.317 37.711 38.000 0.047 0.000 1.126 104 I HN -0.120 nan 8.210 nan 0.000 0.429 105 E N 1.263 121.471 120.200 0.013 0.000 2.376 105 E HA 0.228 4.578 4.350 -0.000 0.000 0.266 105 E C 0.818 177.414 176.600 -0.008 0.000 1.009 105 E CA 0.722 57.128 56.400 0.010 0.000 0.902 105 E CB 0.475 30.196 29.700 0.036 0.000 0.972 105 E HN 0.504 nan 8.360 nan 0.000 0.439 106 G N 2.634 111.422 108.800 -0.019 0.000 2.234 106 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.235 106 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.235 106 G C 0.292 175.182 174.900 -0.017 0.000 0.997 106 G CA -0.270 44.817 45.100 -0.021 0.000 0.623 106 G HN 0.345 nan 8.290 nan 0.000 0.514 107 K N 0.304 120.695 120.400 -0.015 0.000 2.120 107 K HA 0.495 4.815 4.320 -0.000 0.000 0.245 107 K C 0.783 177.360 176.600 -0.038 0.000 1.024 107 K CA -0.159 56.113 56.287 -0.025 0.000 0.906 107 K CB 1.067 33.551 32.500 -0.026 0.000 1.051 107 K HN 0.392 nan 8.250 nan 0.000 0.491 108 C N 1.180 120.446 119.300 -0.056 0.000 2.604 108 C HA 0.093 4.553 4.460 -0.000 0.000 0.396 108 C C 2.318 177.249 174.990 -0.100 0.000 1.282 108 C CA -0.538 58.442 59.018 -0.062 0.000 2.292 108 C CB -0.242 27.456 27.740 -0.071 0.000 2.633 108 C HN 0.611 nan 8.230 nan 0.000 0.620 109 V N 3.141 123.014 119.914 -0.068 0.000 2.867 109 V HA -0.043 4.076 4.120 -0.000 0.000 0.260 109 V C 1.841 177.727 176.094 -0.348 0.000 1.099 109 V CA 2.266 64.515 62.300 -0.085 0.000 1.122 109 V CB -1.356 30.514 31.823 0.078 0.000 0.708 109 V HN 1.019 nan 8.190 nan 0.000 0.490 110 S N -0.823 114.609 115.700 -0.446 0.000 2.548 110 S HA 0.040 4.510 4.470 -0.000 0.000 0.215 110 S C 0.880 175.124 174.600 -0.594 0.000 0.976 110 S CA 0.310 57.984 58.200 -0.878 0.000 0.908 110 S CB -0.408 62.443 63.200 -0.581 0.000 0.781 110 S HN 0.557 nan 8.310 nan 0.000 0.519 111 D N 1.957 122.141 120.400 -0.361 0.000 2.841 111 D HA 0.275 4.914 4.640 -0.000 0.000 0.244 111 D C 1.140 177.283 176.300 -0.261 0.000 1.228 111 D CA -0.017 53.835 54.000 -0.247 0.000 0.872 111 D CB -0.260 40.456 40.800 -0.141 0.000 1.082 111 D HN 0.482 nan 8.370 nan 0.000 0.457 112 I N 0.111 120.430 120.570 -0.418 0.000 2.142 112 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 112 I C 2.264 178.264 176.117 -0.195 0.000 1.078 112 I CA 1.061 62.113 61.300 -0.413 0.000 1.343 112 I CB -0.078 37.407 38.000 -0.859 0.000 1.046 112 I HN -0.040 nan 8.210 nan 0.000 0.405 113 K N 0.372 120.680 120.400 -0.155 0.000 2.147 113 K HA -0.196 4.124 4.320 -0.000 0.000 0.205 113 K C 2.078 178.688 176.600 0.017 0.000 1.049 113 K CA 1.198 57.478 56.287 -0.012 0.000 0.936 113 K CB -0.267 32.233 32.500 -0.000 0.000 0.722 113 K HN 0.151 nan 8.250 nan 0.000 0.446 114 L N 1.499 122.698 121.223 -0.039 0.000 2.027 114 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 114 L C 1.886 178.736 176.870 -0.033 0.000 1.074 114 L CA 1.548 56.367 54.840 -0.034 0.000 0.745 114 L CB -0.268 41.763 42.059 -0.047 0.000 0.898 114 L HN 0.110 nan 8.230 nan 0.000 0.433 115 I N -0.946 119.607 120.570 -0.028 0.000 2.226 115 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 115 I C 2.521 178.622 176.117 -0.027 0.000 1.100 115 I CA 1.528 62.819 61.300 -0.014 0.000 1.374 115 I CB -0.513 37.488 38.000 0.001 0.000 1.057 115 I HN 0.446 nan 8.210 nan 0.000 0.413 116 H N 0.866 119.892 119.070 -0.074 0.000 2.319 116 H HA -0.256 4.300 4.556 -0.000 0.000 0.299 116 H C 1.879 177.154 175.328 -0.089 0.000 1.092 116 H CA 2.365 58.382 56.048 -0.053 0.000 1.302 116 H CB -0.178 29.584 29.762 0.000 0.000 1.373 116 H HN 0.298 nan 8.280 nan 0.000 0.497 117 D N -0.685 119.679 120.400 -0.060 0.000 2.144 117 D HA -0.141 4.498 4.640 -0.000 0.000 0.199 117 D C 2.057 178.212 176.300 -0.241 0.000 0.984 117 D CA 1.232 55.154 54.000 -0.131 0.000 0.834 117 D CB 0.018 40.787 40.800 -0.051 0.000 0.955 117 D HN 0.549 nan 8.370 nan 0.000 0.465 118 Q N -0.732 118.892 119.800 -0.292 0.000 2.119 118 Q HA -0.090 4.249 4.340 -0.000 0.000 0.201 118 Q C 2.308 177.839 176.000 -0.781 0.000 0.972 118 Q CA 0.873 56.352 55.803 -0.540 0.000 0.847 118 Q CB -0.069 28.325 28.738 -0.573 0.000 0.903 118 Q HN 0.446 nan 8.270 nan 0.000 0.433 119 M N 0.272 119.535 119.600 -0.562 0.000 2.117 119 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 119 M C 2.146 178.206 176.300 -0.400 0.000 1.065 119 M CA 1.385 56.406 55.300 -0.466 0.000 1.114 119 M CB -0.279 32.159 32.600 -0.271 0.000 1.361 119 M HN 0.224 nan 8.290 nan 0.000 0.408 120 L N -0.551 120.443 121.223 -0.381 0.000 2.017 120 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 120 L C 2.719 179.453 176.870 -0.226 0.000 1.073 120 L CA 1.403 56.065 54.840 -0.297 0.000 0.745 120 L CB -1.237 40.650 42.059 -0.287 0.000 0.894 120 L HN 0.395 nan 8.230 nan 0.000 0.432 121 G N -0.593 108.070 108.800 -0.227 0.000 2.408 121 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 121 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 121 G C 1.698 176.544 174.900 -0.089 0.000 1.150 121 G CA 0.731 45.744 45.100 -0.145 0.000 0.776 121 G HN 0.462 nan 8.290 nan 0.000 0.542 122 A N 0.388 123.104 122.820 -0.173 0.000 2.066 122 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 122 A C 2.393 180.115 177.584 0.230 0.000 1.157 122 A CA 2.195 54.264 52.037 0.054 0.000 0.670 122 A CB -0.413 18.558 19.000 -0.048 0.000 0.804 122 A HN 0.506 nan 8.150 nan 0.000 0.453 123 T N -4.206 110.298 114.554 -0.084 0.000 3.054 123 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 123 T C 1.553 175.968 174.700 -0.474 0.000 1.035 123 T CA 0.575 62.423 62.100 -0.420 0.000 0.941 123 T CB -0.258 68.222 68.868 -0.646 0.000 1.026 123 T HN 0.280 nan 8.240 nan 0.000 0.533 124 M N 1.610 121.114 119.600 -0.160 0.000 2.195 124 M HA -0.140 4.340 4.480 -0.000 0.000 0.260 124 M C 1.933 178.215 176.300 -0.030 0.000 1.066 124 M CA 1.897 57.141 55.300 -0.093 0.000 1.089 124 M CB -0.326 32.269 32.600 -0.008 0.000 1.377 124 M HN 0.624 nan 8.290 nan 0.000 0.411 125 Y N -0.672 119.635 120.300 0.012 0.000 2.571 125 Y HA -0.132 4.418 4.550 -0.000 0.000 0.294 125 Y C 1.102 177.101 175.900 0.164 0.000 1.141 125 Y CA 0.882 59.035 58.100 0.088 0.000 1.308 125 Y CB -0.979 37.557 38.460 0.127 0.000 1.002 125 Y HN 0.510 nan 8.280 nan 0.000 0.551 126 Y N -1.679 118.349 120.300 -0.453 0.000 2.729 126 Y HA 0.370 4.920 4.550 -0.000 0.000 0.266 126 Y C 1.569 177.346 175.900 -0.206 0.000 1.064 126 Y CA -0.261 57.634 58.100 -0.341 0.000 1.251 126 Y CB -0.559 37.590 38.460 -0.519 0.000 1.379 126 Y HN 0.065 nan 8.280 nan 0.000 0.569 127 S N 0.078 115.515 115.700 -0.439 0.000 2.470 127 S HA 0.230 4.700 4.470 -0.000 0.000 0.225 127 S C 1.925 176.445 174.600 -0.133 0.000 1.006 127 S CA 0.694 58.701 58.200 -0.322 0.000 0.934 127 S CB -0.736 62.256 63.200 -0.346 0.000 0.778 127 S HN 1.284 nan 8.310 nan 0.000 0.517 128 G N 1.781 110.527 108.800 -0.090 0.000 2.187 128 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 128 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 128 G C 0.597 175.475 174.900 -0.036 0.000 1.000 128 G CA 0.955 46.027 45.100 -0.046 0.000 0.718 128 G HN 1.953 nan 8.290 nan 0.000 0.519 129 S N -4.275 111.399 115.700 -0.042 0.000 3.358 129 S HA 0.196 4.666 4.470 -0.000 0.000 0.309 129 S C 1.711 176.323 174.600 0.020 0.000 1.247 129 S CA 1.802 59.998 58.200 -0.005 0.000 0.961 129 S CB -1.569 61.644 63.200 0.022 0.000 1.074 129 S HN 2.878 nan 8.310 nan 0.000 0.625 130 G N -1.444 107.355 108.800 -0.003 0.000 2.349 130 G HA2 0.715 4.675 3.960 -0.000 0.000 0.294 130 G HA3 0.715 4.675 3.960 -0.000 0.000 0.294 130 G C 0.328 175.218 174.900 -0.018 0.000 1.380 130 G CA 0.851 45.963 45.100 0.020 0.000 0.811 130 G HN 2.274 nan 8.290 nan 0.000 0.519 131 G N -1.018 107.770 108.800 -0.020 0.000 2.598 131 G HA2 0.106 4.066 3.960 -0.000 0.000 0.244 131 G HA3 0.106 4.066 3.960 -0.000 0.000 0.244 131 G C 1.203 176.058 174.900 -0.076 0.000 1.302 131 G CA 0.557 45.608 45.100 -0.082 0.000 0.903 131 G HN 2.167 nan 8.290 nan 0.000 0.575 132 L N 0.217 121.388 121.223 -0.086 0.000 2.040 132 L HA -0.215 4.125 4.340 -0.000 0.000 0.228 132 L C 3.132 179.994 176.870 -0.013 0.000 1.092 132 L CA 3.604 58.411 54.840 -0.054 0.000 0.805 132 L CB -1.034 41.000 42.059 -0.041 0.000 0.905 132 L HN 0.982 nan 8.230 nan 0.000 0.443 133 V N -1.050 118.857 119.914 -0.011 0.000 2.343 133 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 133 V C 2.467 178.544 176.094 -0.027 0.000 1.051 133 V CA 2.046 64.335 62.300 -0.018 0.000 1.036 133 V CB -0.669 31.092 31.823 -0.104 0.000 0.654 133 V HN 0.593 nan 8.190 nan 0.000 0.451 134 M N 0.902 120.493 119.600 -0.015 0.000 2.229 134 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 134 M C 1.782 178.137 176.300 0.092 0.000 1.063 134 M CA 1.497 56.816 55.300 0.031 0.000 1.114 134 M CB -0.909 31.731 32.600 0.067 0.000 1.387 134 M HN 0.319 nan 8.290 nan 0.000 0.420 135 N N -0.706 118.047 118.700 0.089 0.000 2.166 135 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 135 N C 1.558 177.140 175.510 0.120 0.000 1.019 135 N CA 2.000 55.141 53.050 0.152 0.000 0.856 135 N CB -0.844 37.681 38.487 0.064 0.000 0.993 135 N HN 0.404 nan 8.380 nan 0.000 0.426 136 T N 1.434 116.033 114.554 0.075 0.000 2.737 136 T HA 0.055 4.405 4.350 -0.000 0.000 0.265 136 T C 2.085 176.823 174.700 0.063 0.000 1.038 136 T CA 0.602 62.745 62.100 0.071 0.000 1.144 136 T CB -0.187 68.722 68.868 0.068 0.000 0.866 136 T HN 0.161 nan 8.240 nan 0.000 0.434 137 I N 1.266 121.863 120.570 0.044 0.000 2.208 137 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 137 I C 2.681 178.860 176.117 0.103 0.000 1.097 137 I CA 0.987 62.309 61.300 0.037 0.000 1.363 137 I CB -0.382 37.603 38.000 -0.024 0.000 1.051 137 I HN 0.191 nan 8.210 nan 0.000 0.413 138 S N -0.176 115.598 115.700 0.123 0.000 2.370 138 S HA -0.249 4.220 4.470 -0.000 0.000 0.226 138 S C 2.170 176.808 174.600 0.063 0.000 1.033 138 S CA 1.493 59.773 58.200 0.134 0.000 1.011 138 S CB -0.666 62.624 63.200 0.150 0.000 0.852 138 S HN 0.582 nan 8.310 nan 0.000 0.457 139 C N 1.392 120.715 119.300 0.039 0.000 2.425 139 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 139 C C 2.624 177.627 174.990 0.021 0.000 1.280 139 C CA 0.728 59.732 59.018 -0.023 0.000 1.744 139 C CB -1.306 26.443 27.740 0.015 0.000 1.989 139 C HN 0.410 nan 8.230 nan 0.000 0.491 140 V N 0.660 120.616 119.914 0.070 0.000 2.307 140 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 140 V C 2.176 178.340 176.094 0.116 0.000 1.045 140 V CA 2.602 64.957 62.300 0.091 0.000 1.024 140 V CB -0.866 31.006 31.823 0.081 0.000 0.651 140 V HN 0.594 nan 8.190 nan 0.000 0.449 141 D N -0.021 120.472 120.400 0.154 0.000 2.123 141 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 141 D C 2.032 178.516 176.300 0.308 0.000 0.992 141 D CA 1.536 55.670 54.000 0.224 0.000 0.833 141 D CB -0.154 40.816 40.800 0.283 0.000 0.954 141 D HN 0.386 nan 8.370 nan 0.000 0.455 142 L N -0.106 121.237 121.223 0.201 0.000 2.093 142 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 142 L C 2.605 179.648 176.870 0.289 0.000 1.085 142 L CA 1.009 55.971 54.840 0.204 0.000 0.755 142 L CB -0.517 41.350 42.059 -0.321 0.000 0.904 142 L HN 0.098 nan 8.230 nan 0.000 0.435 143 A N 0.128 123.037 122.820 0.149 0.000 1.933 143 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 143 A C 2.253 179.966 177.584 0.215 0.000 1.175 143 A CA 1.325 53.471 52.037 0.181 0.000 0.628 143 A CB -0.592 18.508 19.000 0.168 0.000 0.814 143 A HN 0.351 nan 8.150 nan 0.000 0.444 144 L N -2.790 118.533 121.223 0.167 0.000 2.056 144 L HA -0.192 4.147 4.340 -0.000 0.000 0.207 144 L C 2.581 179.499 176.870 0.081 0.000 1.078 144 L CA 1.262 56.139 54.840 0.063 0.000 0.749 144 L CB -0.501 41.517 42.059 -0.068 0.000 0.901 144 L HN 0.598 nan 8.230 nan 0.000 0.433 145 W N 0.561 121.977 121.300 0.192 0.000 2.363 145 W HA -0.215 4.445 4.660 -0.000 0.000 0.296 145 W C 2.368 178.938 176.519 0.084 0.000 1.212 145 W CA 1.273 58.725 57.345 0.178 0.000 1.260 145 W CB -0.207 29.380 29.460 0.211 0.000 1.131 145 W HN 0.223 nan 8.180 nan 0.000 0.530 146 D N 0.034 120.678 120.400 0.407 0.000 2.097 146 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 146 D C 2.041 178.444 176.300 0.171 0.000 0.989 146 D CA 1.350 55.496 54.000 0.243 0.000 0.827 146 D CB -0.345 40.674 40.800 0.364 0.000 0.966 146 D HN -0.011 nan 8.370 nan 0.000 0.456 147 L N -0.328 121.017 121.223 0.204 0.000 2.017 147 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 147 L C 2.033 179.009 176.870 0.178 0.000 1.073 147 L CA 1.591 56.536 54.840 0.175 0.000 0.745 147 L CB -1.085 41.073 42.059 0.165 0.000 0.894 147 L HN 0.091 nan 8.230 nan 0.000 0.432 148 F N 0.704 120.654 119.950 -0.000 0.000 2.095 148 F HA -0.063 4.463 4.527 -0.000 0.000 0.298 148 F C 2.229 178.026 175.800 -0.005 0.000 1.104 148 F CA 1.577 59.556 58.000 -0.034 0.000 1.232 148 F CB -1.146 37.781 39.000 -0.122 0.000 0.987 148 F HN 0.152 nan 8.300 nan 0.000 0.475 149 G N -0.062 108.709 108.800 -0.048 0.000 2.422 149 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 149 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 149 G C 1.791 176.605 174.900 -0.142 0.000 1.146 149 G CA 0.768 45.753 45.100 -0.191 0.000 0.769 149 G HN 0.367 nan 8.290 nan 0.000 0.547 150 K N -0.121 120.252 120.400 -0.045 0.000 2.155 150 K HA 0.070 4.390 4.320 -0.000 0.000 0.203 150 K C 2.516 179.105 176.600 -0.017 0.000 1.052 150 K CA 0.629 56.911 56.287 -0.008 0.000 0.948 150 K CB -0.088 32.447 32.500 0.058 0.000 0.728 150 K HN 0.211 nan 8.250 nan 0.000 0.448 151 V N 0.848 120.752 119.914 -0.016 0.000 2.379 151 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 151 V C 2.150 178.200 176.094 -0.073 0.000 1.044 151 V CA 1.384 63.679 62.300 -0.009 0.000 1.036 151 V CB -0.102 31.753 31.823 0.053 0.000 0.664 151 V HN 0.059 nan 8.190 nan 0.000 0.453 152 V N 0.131 119.931 119.914 -0.190 0.000 2.548 152 V HA 0.134 4.254 4.120 -0.000 0.000 0.249 152 V C 1.757 177.760 176.094 -0.152 0.000 1.055 152 V CA 1.558 63.721 62.300 -0.229 0.000 1.065 152 V CB -0.682 30.869 31.823 -0.454 0.000 0.681 152 V HN 0.796 nan 8.190 nan 0.000 0.462 153 G N 0.084 108.804 108.800 -0.132 0.000 2.140 153 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.211 153 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.211 153 G C -0.317 174.522 174.900 -0.102 0.000 1.013 153 G CA 0.120 45.167 45.100 -0.088 0.000 0.705 153 G HN 0.399 nan 8.290 nan 0.000 0.508 154 L N -0.605 120.531 121.223 -0.144 0.000 2.371 154 L HA 0.566 4.905 4.340 -0.000 0.000 0.262 154 L C -2.386 174.387 176.870 -0.163 0.000 1.006 154 L CA -2.640 52.106 54.840 -0.156 0.000 0.818 154 L CB 2.685 44.631 42.059 -0.188 0.000 1.354 154 L HN -0.138 nan 8.230 nan 0.000 0.415 155 P HA 0.080 nan 4.420 nan 0.000 0.275 155 P C 0.765 177.966 177.300 -0.166 0.000 1.228 155 P CA -0.368 62.680 63.100 -0.087 0.000 0.786 155 P CB 0.974 32.695 31.700 0.035 0.000 0.927 156 V N 2.331 122.095 119.914 -0.251 0.000 2.392 156 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 156 V C 2.058 178.131 176.094 -0.035 0.000 1.059 156 V CA 2.161 64.301 62.300 -0.266 0.000 1.051 156 V CB -1.650 29.741 31.823 -0.720 0.000 0.658 156 V HN 0.661 nan 8.190 nan 0.000 0.455 157 Y N 1.040 121.440 120.300 0.166 0.000 2.333 157 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 157 Y C 2.170 178.055 175.900 -0.025 0.000 1.144 157 Y CA 1.474 59.585 58.100 0.019 0.000 1.228 157 Y CB -0.575 37.851 38.460 -0.057 0.000 0.985 157 Y HN 0.141 nan 8.280 nan 0.000 0.542 158 K N 0.555 120.609 120.400 -0.576 0.000 2.186 158 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 158 K C 1.987 178.477 176.600 -0.183 0.000 1.052 158 K CA 1.075 57.088 56.287 -0.456 0.000 0.965 158 K CB -0.129 32.044 32.500 -0.544 0.000 0.746 158 K HN 0.367 nan 8.250 nan 0.000 0.457 159 L N 1.040 122.180 121.223 -0.138 0.000 2.131 159 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 159 L C 2.055 178.943 176.870 0.029 0.000 1.092 159 L CA 1.003 55.829 54.840 -0.024 0.000 0.759 159 L CB -0.333 41.757 42.059 0.052 0.000 0.903 159 L HN 0.171 nan 8.230 nan 0.000 0.435 160 L N -0.614 120.597 121.223 -0.020 0.000 2.551 160 L HA 0.032 4.372 4.340 -0.000 0.000 0.228 160 L C 1.347 178.235 176.870 0.030 0.000 1.153 160 L CA 0.779 55.614 54.840 -0.008 0.000 0.851 160 L CB -0.332 41.689 42.059 -0.064 0.000 0.959 160 L HN 0.524 nan 8.230 nan 0.000 0.451 161 G N -1.026 107.786 108.800 0.019 0.000 2.173 161 G HA2 0.073 4.033 3.960 -0.000 0.000 0.142 161 G HA3 0.073 4.033 3.960 -0.000 0.000 0.142 161 G C 0.495 175.418 174.900 0.038 0.000 1.019 161 G CA -0.331 44.787 45.100 0.031 0.000 0.699 161 G HN 0.699 nan 8.290 nan 0.000 0.495 162 G N -0.752 108.075 108.800 0.045 0.000 2.758 162 G HA2 0.433 4.393 3.960 -0.000 0.000 0.686 162 G HA3 0.433 4.393 3.960 -0.000 0.000 0.686 162 G C 0.387 175.391 174.900 0.174 0.000 1.389 162 G CA 0.744 45.915 45.100 0.119 0.000 0.845 162 G HN 2.119 nan 8.290 nan 0.000 0.572 163 A N -0.610 122.349 122.820 0.233 0.000 2.407 163 A HA 0.703 5.023 4.320 -0.000 0.000 0.248 163 A C 1.613 179.195 177.584 -0.002 0.000 1.082 163 A CA 0.689 52.742 52.037 0.026 0.000 0.785 163 A CB 0.933 19.853 19.000 -0.133 0.000 1.020 163 A HN 2.349 nan 8.150 nan 0.000 0.489 164 V N -0.609 119.283 119.914 -0.037 0.000 3.427 164 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 164 V C 0.306 176.374 176.094 -0.043 0.000 1.412 164 V CA 0.289 62.578 62.300 -0.019 0.000 1.086 164 V CB -1.561 30.265 31.823 0.006 0.000 0.964 164 V HN 0.951 nan 8.190 nan 0.000 0.439 165 R N -1.804 118.643 120.500 -0.088 0.000 2.643 165 R HA 0.513 4.853 4.340 -0.000 0.000 0.269 165 R C -0.896 175.299 176.300 -0.176 0.000 1.037 165 R CA -0.600 55.437 56.100 -0.106 0.000 0.894 165 R CB 1.114 31.353 30.300 -0.102 0.000 1.238 165 R HN -0.060 nan 8.270 nan 0.000 0.459 166 D N 0.854 121.149 120.400 -0.176 0.000 2.317 166 D HA -0.058 4.582 4.640 -0.000 0.000 0.211 166 D C -0.170 175.846 176.300 -0.474 0.000 0.966 166 D CA 1.337 55.156 54.000 -0.302 0.000 0.876 166 D CB 0.441 41.133 40.800 -0.180 0.000 0.927 166 D HN 0.639 nan 8.370 nan 0.000 0.519 167 E N -0.544 119.482 120.200 -0.290 0.000 2.412 167 E HA 0.458 4.808 4.350 -0.000 0.000 0.279 167 E C -1.070 175.408 176.600 -0.204 0.000 0.984 167 E CA -0.777 55.473 56.400 -0.250 0.000 0.788 167 E CB 1.434 31.063 29.700 -0.118 0.000 1.277 167 E HN -0.172 nan 8.360 nan 0.000 0.455 168 I N 2.175 122.615 120.570 -0.216 0.000 2.331 168 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 168 I C -0.047 175.893 176.117 -0.295 0.000 0.998 168 I CA -0.667 60.443 61.300 -0.316 0.000 1.267 168 I CB 1.457 39.173 38.000 -0.474 0.000 1.386 168 I HN 0.502 nan 8.210 nan 0.000 0.476 169 Q N 5.989 125.633 119.800 -0.260 0.000 2.256 169 Q HA 0.590 4.929 4.340 -0.000 0.000 0.257 169 Q C -1.632 174.268 176.000 -0.167 0.000 0.936 169 Q CA -0.537 55.199 55.803 -0.111 0.000 0.903 169 Q CB 1.803 30.521 28.738 -0.033 0.000 1.263 169 Q HN 0.400 nan 8.270 nan 0.000 0.440 170 F N 1.690 121.713 119.950 0.122 0.000 2.507 170 F HA 0.480 5.006 4.527 -0.000 0.000 0.327 170 F C -0.517 175.520 175.800 0.395 0.000 1.068 170 F CA -1.054 57.112 58.000 0.277 0.000 0.965 170 F CB 1.394 40.606 39.000 0.352 0.000 1.192 170 F HN 0.615 nan 8.300 nan 0.000 0.476 171 Y N 0.553 121.142 120.300 0.482 0.000 2.509 171 Y HA 0.891 5.441 4.550 -0.001 0.000 0.341 171 Y C -0.987 174.964 175.900 0.085 0.000 1.038 171 Y CA -1.934 56.285 58.100 0.197 0.000 1.089 171 Y CB 0.951 39.470 38.460 0.098 0.000 1.241 171 Y HN 0.685 nan 8.280 nan 0.000 0.468 172 A N 1.939 124.680 122.820 -0.132 0.000 2.330 172 A HA 0.692 5.012 4.320 -0.000 0.000 0.327 172 A C -0.716 176.790 177.584 -0.130 0.000 1.155 172 A CA -0.770 50.995 52.037 -0.453 0.000 0.803 172 A CB 0.649 19.032 19.000 -1.028 0.000 1.208 172 A HN 0.807 nan 8.150 nan 0.000 0.477 173 T N 1.366 115.826 114.554 -0.157 0.000 2.767 173 T HA 0.726 5.076 4.350 -0.000 0.000 0.284 173 T C 0.351 174.816 174.700 -0.392 0.000 0.973 173 T CA 0.442 62.494 62.100 -0.081 0.000 0.996 173 T CB 1.230 70.147 68.868 0.081 0.000 0.927 173 T HN 1.638 nan 8.240 nan 0.000 0.456 174 G N 0.841 109.248 108.800 -0.655 0.000 2.315 174 G HA2 0.479 4.439 3.960 -0.000 0.000 0.294 174 G HA3 0.479 4.439 3.960 -0.000 0.000 0.294 174 G C 0.176 174.572 174.900 -0.840 0.000 1.300 174 G CA -0.165 44.010 45.100 -1.543 0.000 0.843 174 G HN 0.642 nan 8.290 nan 0.000 0.527 175 A N -0.746 121.617 122.820 -0.761 0.000 2.238 175 A HA 0.366 4.685 4.320 -0.000 0.000 0.208 175 A C 1.095 178.593 177.584 -0.143 0.000 1.177 175 A CA 0.828 52.744 52.037 -0.201 0.000 0.804 175 A CB -0.074 18.948 19.000 0.035 0.000 0.823 175 A HN 0.278 nan 8.150 nan 0.000 0.482 176 R N -0.512 119.862 120.500 -0.210 0.000 2.724 176 R HA 0.250 4.590 4.340 -0.000 0.000 0.284 176 R C -2.549 173.702 176.300 -0.082 0.000 1.481 176 R CA -1.953 54.077 56.100 -0.118 0.000 1.652 176 R CB 0.073 30.308 30.300 -0.109 0.000 1.175 176 R HN 0.144 nan 8.270 nan 0.000 0.613 177 P HA -0.178 nan 4.420 nan 0.000 0.218 177 P C 0.911 178.177 177.300 -0.056 0.000 1.148 177 P CA 1.255 64.416 63.100 0.102 0.000 0.822 177 P CB 0.341 32.163 31.700 0.203 0.000 0.784 178 D N -0.220 120.111 120.400 -0.116 0.000 2.117 178 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 178 D C 1.885 178.081 176.300 -0.174 0.000 0.987 178 D CA 1.232 55.111 54.000 -0.200 0.000 0.829 178 D CB -1.219 39.504 40.800 -0.130 0.000 0.961 178 D HN 0.208 nan 8.370 nan 0.000 0.460 179 L N 0.313 121.478 121.223 -0.097 0.000 2.156 179 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 179 L C 2.803 179.669 176.870 -0.005 0.000 1.095 179 L CA 0.908 55.714 54.840 -0.057 0.000 0.770 179 L CB -0.471 41.564 42.059 -0.040 0.000 0.914 179 L HN 0.062 nan 8.230 nan 0.000 0.439 180 A N 0.359 123.196 122.820 0.028 0.000 1.933 180 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 180 A C 2.406 180.148 177.584 0.263 0.000 1.175 180 A CA 1.840 54.014 52.037 0.228 0.000 0.628 180 A CB -0.395 18.713 19.000 0.181 0.000 0.814 180 A HN 0.318 nan 8.150 nan 0.000 0.444 181 K N -0.076 120.245 120.400 -0.133 0.000 2.057 181 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 181 K C 1.855 178.375 176.600 -0.132 0.000 1.049 181 K CA 1.733 57.803 56.287 -0.362 0.000 0.931 181 K CB -0.201 31.707 32.500 -0.986 0.000 0.714 181 K HN 0.622 nan 8.250 nan 0.000 0.440 182 E N 0.126 120.255 120.200 -0.118 0.000 2.110 182 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 182 E C 1.898 178.467 176.600 -0.051 0.000 0.988 182 E CA 1.440 57.792 56.400 -0.080 0.000 0.804 182 E CB -0.051 29.608 29.700 -0.069 0.000 0.745 182 E HN 0.393 nan 8.360 nan 0.000 0.458 183 M N -0.980 118.620 119.600 0.001 0.000 2.630 183 M HA 0.025 4.505 4.480 -0.000 0.000 0.254 183 M C 1.213 177.394 176.300 -0.198 0.000 1.092 183 M CA 0.959 56.228 55.300 -0.050 0.000 1.087 183 M CB 0.563 33.211 32.600 0.079 0.000 1.453 183 M HN 0.346 nan 8.290 nan 0.000 0.509 184 G N -0.101 108.627 108.800 -0.121 0.000 2.179 184 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 184 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 184 G C -0.018 174.785 174.900 -0.162 0.000 0.990 184 G CA -0.701 44.297 45.100 -0.170 0.000 0.646 184 G HN 0.309 nan 8.290 nan 0.000 0.517 185 F N 0.773 120.765 119.950 0.070 0.000 2.490 185 F HA 0.441 4.968 4.527 0.000 0.000 0.336 185 F C 2.185 178.049 175.800 0.107 0.000 1.178 185 F CA 0.155 58.219 58.000 0.106 0.000 1.301 185 F CB 0.524 39.621 39.000 0.162 0.000 1.175 185 F HN 0.145 nan 8.300 nan 0.000 0.593 186 I N -0.916 119.691 120.570 0.062 0.000 3.578 186 I HA 0.461 4.630 4.170 -0.000 0.000 0.295 186 I C 0.653 176.210 176.117 -0.932 0.000 1.280 186 I CA 0.416 61.473 61.300 -0.405 0.000 1.347 186 I CB -0.531 37.052 38.000 -0.696 0.000 1.051 186 I HN 0.483 nan 8.210 nan 0.000 0.460 187 G N -0.018 108.268 108.800 -0.857 0.000 2.451 187 G HA2 0.536 4.496 3.960 -0.000 0.000 0.292 187 G HA3 0.536 4.496 3.960 -0.000 0.000 0.292 187 G C -1.490 173.018 174.900 -0.655 0.000 1.427 187 G CA -0.240 44.017 45.100 -1.405 0.000 0.792 187 G HN 0.259 nan 8.290 nan 0.000 0.498 188 G N -0.254 108.276 108.800 -0.450 0.000 2.707 188 G HA2 0.577 4.536 3.960 -0.000 0.000 0.299 188 G HA3 0.577 4.536 3.960 -0.000 0.000 0.299 188 G C -1.061 173.792 174.900 -0.077 0.000 1.442 188 G CA -0.568 44.527 45.100 -0.008 0.000 1.009 188 G HN 0.552 nan 8.290 nan 0.000 0.515 189 K N 2.723 123.115 120.400 -0.013 0.000 2.213 189 K HA 0.632 4.952 4.320 -0.000 0.000 0.270 189 K C -0.073 176.524 176.600 -0.005 0.000 1.002 189 K CA -0.534 55.718 56.287 -0.059 0.000 0.868 189 K CB 0.916 33.459 32.500 0.072 0.000 1.093 189 K HN 0.449 nan 8.250 nan 0.000 0.454 190 M N 5.646 125.244 119.600 -0.003 0.000 2.472 190 M HA 0.434 4.914 4.480 -0.000 0.000 0.331 190 M C -2.224 174.131 176.300 0.093 0.000 1.170 190 M CA -2.200 53.121 55.300 0.034 0.000 1.009 190 M CB 1.949 34.577 32.600 0.046 0.000 1.672 190 M HN 0.470 nan 8.290 nan 0.000 0.453 191 P HA 0.190 nan 4.420 nan 0.000 0.281 191 P C -0.879 176.355 177.300 -0.110 0.000 1.249 191 P CA -0.380 62.764 63.100 0.074 0.000 0.810 191 P CB 0.759 32.534 31.700 0.125 0.000 1.008 192 T N -0.944 113.593 114.554 -0.028 0.000 2.904 192 T HA 0.230 4.579 4.350 -0.000 0.000 0.290 192 T C 0.891 175.457 174.700 -0.222 0.000 1.018 192 T CA -0.284 61.817 62.100 0.002 0.000 1.075 192 T CB 0.432 69.404 68.868 0.173 0.000 0.986 192 T HN 0.413 nan 8.240 nan 0.000 0.523 193 H N -0.049 119.036 119.070 0.024 0.000 2.874 193 H HA 0.212 4.768 4.556 -0.000 0.000 0.264 193 H C -0.515 174.482 175.328 -0.551 0.000 1.007 193 H CA -0.195 55.689 56.048 -0.273 0.000 1.207 193 H CB 0.410 29.874 29.762 -0.497 0.000 1.487 193 H HN 0.628 nan 8.280 nan 0.000 0.505 194 W N 0.370 121.845 121.300 0.292 0.000 2.799 194 W HA 0.574 5.234 4.660 -0.001 0.000 0.349 194 W C 0.469 177.016 176.519 0.047 0.000 1.100 194 W CA -0.833 56.618 57.345 0.177 0.000 1.174 194 W CB 1.271 30.823 29.460 0.153 0.000 1.427 194 W HN -0.039 nan 8.180 nan 0.000 0.547 195 G N -0.018 108.743 108.800 -0.064 0.000 3.105 195 G HA2 0.496 4.456 3.960 -0.000 0.000 0.277 195 G HA3 0.496 4.456 3.960 -0.000 0.000 0.277 195 G C -2.417 171.870 174.900 -1.023 0.000 1.375 195 G CA -1.388 43.439 45.100 -0.455 0.000 0.962 195 G HN 0.142 nan 8.290 nan 0.000 0.541 196 P HA -0.200 nan 4.420 nan 0.000 0.216 196 P C 1.525 178.650 177.300 -0.292 0.000 1.154 196 P CA 1.861 64.509 63.100 -0.753 0.000 0.865 196 P CB -0.085 31.428 31.700 -0.311 0.000 0.789 197 H N -1.804 117.168 119.070 -0.163 0.000 2.518 197 H HA -0.009 4.547 4.556 -0.000 0.000 0.289 197 H C 0.775 176.114 175.328 0.019 0.000 1.051 197 H CA 1.026 57.041 56.048 -0.054 0.000 1.280 197 H CB -0.967 28.763 29.762 -0.053 0.000 1.380 197 H HN 0.211 nan 8.280 nan 0.000 0.566 198 D N 0.924 121.125 120.400 -0.332 0.000 2.354 198 D HA 0.103 4.743 4.640 -0.000 0.000 0.209 198 D C 1.566 177.873 176.300 0.011 0.000 1.015 198 D CA 0.840 54.782 54.000 -0.098 0.000 0.867 198 D CB 0.441 41.233 40.800 -0.015 0.000 0.933 198 D HN 0.565 nan 8.370 nan 0.000 0.520 199 G N 2.189 111.036 108.800 0.078 0.000 2.594 199 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.297 199 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.297 199 G C 0.702 175.712 174.900 0.182 0.000 1.273 199 G CA 0.480 45.682 45.100 0.170 0.000 0.974 199 G HN 0.149 nan 8.290 nan 0.000 0.552 200 D N 0.599 121.047 120.400 0.080 0.000 2.182 200 D HA -0.027 4.613 4.640 -0.000 0.000 0.201 200 D C 2.761 179.057 176.300 -0.007 0.000 0.986 200 D CA 1.912 55.930 54.000 0.030 0.000 0.847 200 D CB -0.527 40.279 40.800 0.009 0.000 0.942 200 D HN 0.712 nan 8.370 nan 0.000 0.467 201 A N 1.111 123.906 122.820 -0.042 0.000 1.898 201 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 201 A C 2.418 179.881 177.584 -0.202 0.000 1.181 201 A CA 1.927 53.883 52.037 -0.135 0.000 0.620 201 A CB -0.974 17.916 19.000 -0.184 0.000 0.819 201 A HN 0.300 nan 8.150 nan 0.000 0.442 202 G N 0.019 108.758 108.800 -0.101 0.000 2.418 202 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 202 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 202 G C 1.524 176.518 174.900 0.157 0.000 1.158 202 G CA 1.095 46.202 45.100 0.011 0.000 0.771 202 G HN 0.469 nan 8.290 nan 0.000 0.545 203 I N 0.031 120.673 120.570 0.121 0.000 2.226 203 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 203 I C 2.828 178.964 176.117 0.033 0.000 1.100 203 I CA 1.176 62.485 61.300 0.014 0.000 1.374 203 I CB -0.214 37.717 38.000 -0.115 0.000 1.057 203 I HN 0.113 nan 8.210 nan 0.000 0.413 204 R N 1.390 121.890 120.500 0.001 0.000 2.081 204 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 204 R C 2.271 178.573 176.300 0.004 0.000 1.131 204 R CA 1.602 57.702 56.100 0.000 0.000 0.960 204 R CB -0.016 30.265 30.300 -0.032 0.000 0.856 204 R HN 0.264 nan 8.270 nan 0.000 0.436 205 K N -0.074 120.302 120.400 -0.040 0.000 2.025 205 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 205 K C 1.729 178.428 176.600 0.166 0.000 1.049 205 K CA 1.565 57.852 56.287 0.000 0.000 0.933 205 K CB -0.059 32.314 32.500 -0.212 0.000 0.714 205 K HN 0.234 nan 8.250 nan 0.000 0.438 206 D N 0.510 121.069 120.400 0.264 0.000 2.178 206 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 206 D C 1.776 178.167 176.300 0.152 0.000 0.974 206 D CA 0.930 55.099 54.000 0.281 0.000 0.841 206 D CB 0.029 41.029 40.800 0.332 0.000 0.953 206 D HN 0.187 nan 8.370 nan 0.000 0.478 207 A N 1.047 123.938 122.820 0.118 0.000 1.930 207 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 207 A C 2.302 179.875 177.584 -0.019 0.000 1.175 207 A CA 1.760 53.858 52.037 0.102 0.000 0.627 207 A CB -0.451 18.645 19.000 0.161 0.000 0.815 207 A HN 0.217 nan 8.150 nan 0.000 0.443 208 A N -0.502 122.313 122.820 -0.009 0.000 1.930 208 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 208 A C 2.234 179.759 177.584 -0.099 0.000 1.175 208 A CA 1.748 53.739 52.037 -0.076 0.000 0.627 208 A CB -0.532 18.454 19.000 -0.023 0.000 0.815 208 A HN 0.631 nan 8.150 nan 0.000 0.443 209 M N -0.275 119.318 119.600 -0.012 0.000 2.117 209 M HA -0.127 4.352 4.480 -0.000 0.000 0.262 209 M C 1.846 178.114 176.300 -0.053 0.000 1.065 209 M CA 1.988 57.295 55.300 0.011 0.000 1.114 209 M CB -0.208 32.462 32.600 0.116 0.000 1.361 209 M HN 0.197 nan 8.290 nan 0.000 0.408 210 V N 0.946 120.810 119.914 -0.084 0.000 2.307 210 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 210 V C 2.748 178.643 176.094 -0.331 0.000 1.045 210 V CA 1.874 64.097 62.300 -0.129 0.000 1.024 210 V CB -1.453 30.340 31.823 -0.050 0.000 0.651 210 V HN 0.662 nan 8.190 nan 0.000 0.449 211 A N 0.232 122.633 122.820 -0.698 0.000 1.908 211 A HA -0.334 3.985 4.320 -0.000 0.000 0.218 211 A C 2.032 179.372 177.584 -0.407 0.000 1.181 211 A CA 2.380 53.795 52.037 -1.035 0.000 0.627 211 A CB -0.761 17.496 19.000 -1.238 0.000 0.818 211 A HN 0.641 nan 8.150 nan 0.000 0.445 212 D N -1.188 119.061 120.400 -0.252 0.000 2.097 212 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 212 D C 1.908 178.153 176.300 -0.092 0.000 0.989 212 D CA 1.576 55.498 54.000 -0.130 0.000 0.827 212 D CB -0.140 40.609 40.800 -0.084 0.000 0.966 212 D HN 0.246 nan 8.370 nan 0.000 0.456 213 M N -0.028 119.524 119.600 -0.080 0.000 2.229 213 M HA -0.019 4.460 4.480 -0.000 0.000 0.264 213 M C 2.172 178.465 176.300 -0.010 0.000 1.063 213 M CA 0.819 56.099 55.300 -0.034 0.000 1.114 213 M CB -0.770 31.831 32.600 0.002 0.000 1.387 213 M HN 0.052 nan 8.290 nan 0.000 0.420 214 R N 0.920 121.402 120.500 -0.029 0.000 2.092 214 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 214 R C 1.980 178.294 176.300 0.024 0.000 1.119 214 R CA 1.480 57.600 56.100 0.033 0.000 0.970 214 R CB -0.560 29.772 30.300 0.054 0.000 0.864 214 R HN 0.247 nan 8.270 nan 0.000 0.440 215 E N 0.842 121.032 120.200 -0.016 0.000 2.051 215 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 215 E C 1.542 178.130 176.600 -0.019 0.000 0.991 215 E CA 1.467 57.861 56.400 -0.009 0.000 0.799 215 E CB 0.060 29.744 29.700 -0.028 0.000 0.748 215 E HN 0.400 nan 8.360 nan 0.000 0.449 216 K N -0.700 119.678 120.400 -0.037 0.000 2.155 216 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 216 K C 2.167 178.715 176.600 -0.086 0.000 1.052 216 K CA 1.133 57.385 56.287 -0.058 0.000 0.948 216 K CB 0.098 32.557 32.500 -0.069 0.000 0.728 216 K HN 0.163 nan 8.250 nan 0.000 0.448 217 C N 0.206 119.461 119.300 -0.074 0.000 2.780 217 C HA 0.303 4.763 4.460 -0.000 0.000 0.267 217 C C 1.035 176.012 174.990 -0.022 0.000 1.266 217 C CA -0.067 58.872 59.018 -0.130 0.000 1.709 217 C CB -0.735 26.924 27.740 -0.136 0.000 1.975 217 C HN 0.701 nan 8.230 nan 0.000 0.582 218 G N 1.893 110.709 108.800 0.027 0.000 2.756 218 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.678 218 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.678 218 G C -1.705 173.260 174.900 0.109 0.000 1.349 218 G CA -0.051 45.082 45.100 0.055 0.000 0.847 218 G HN 0.045 nan 8.290 nan 0.000 0.548 219 P HA 0.071 nan 4.420 nan 0.000 0.222 219 P C 0.701 178.088 177.300 0.145 0.000 1.153 219 P CA 1.572 64.741 63.100 0.115 0.000 0.798 219 P CB 0.209 31.960 31.700 0.085 0.000 0.796 220 D N -0.882 119.604 120.400 0.144 0.000 2.305 220 D HA -0.003 4.637 4.640 -0.000 0.000 0.206 220 D C 0.465 176.865 176.300 0.167 0.000 0.974 220 D CA 0.144 54.237 54.000 0.156 0.000 0.871 220 D CB -0.370 40.491 40.800 0.101 0.000 0.947 220 D HN 0.166 nan 8.370 nan 0.000 0.516 221 F N 2.344 122.300 119.950 0.011 0.000 2.472 221 F HA 0.118 4.645 4.527 -0.001 0.000 0.364 221 F C 0.014 175.860 175.800 0.076 0.000 1.090 221 F CA -1.166 56.802 58.000 -0.054 0.000 1.188 221 F CB 0.368 39.345 39.000 -0.040 0.000 1.105 221 F HN -0.177 nan 8.300 nan 0.000 0.536 222 W N 7.521 128.486 121.300 -0.559 0.000 2.158 222 W HA 0.383 5.043 4.660 -0.000 0.000 0.339 222 W C -0.754 175.443 176.519 -0.535 0.000 1.294 222 W CA -1.031 56.017 57.345 -0.495 0.000 1.231 222 W CB -0.121 29.004 29.460 -0.560 0.000 1.143 222 W HN 0.336 nan 8.180 nan 0.000 0.571 223 L N 3.676 124.823 121.223 -0.126 0.000 2.408 223 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 223 L C -0.451 176.223 176.870 -0.325 0.000 0.986 223 L CA -0.985 53.759 54.840 -0.159 0.000 0.820 223 L CB 1.560 43.611 42.059 -0.013 0.000 1.303 223 L HN 0.221 nan 8.230 nan 0.000 0.411 224 M N 3.574 122.922 119.600 -0.421 0.000 2.631 224 M HA 0.605 5.085 4.480 -0.000 0.000 0.288 224 M C -1.149 174.980 176.300 -0.286 0.000 1.260 224 M CA -0.135 54.797 55.300 -0.613 0.000 0.842 224 M CB 2.408 34.148 32.600 -1.433 0.000 1.743 224 M HN 0.278 nan 8.290 nan 0.000 0.461 225 L N 0.848 121.971 121.223 -0.166 0.000 2.362 225 L HA 0.539 4.879 4.340 -0.000 0.000 0.275 225 L C -1.035 175.929 176.870 0.156 0.000 0.998 225 L CA -0.628 54.230 54.840 0.029 0.000 0.820 225 L CB 1.760 43.868 42.059 0.080 0.000 1.270 225 L HN 0.638 nan 8.230 nan 0.000 0.415 226 D N 1.965 122.491 120.400 0.209 0.000 2.256 226 D HA 0.227 4.867 4.640 -0.000 0.000 0.240 226 D C -0.137 176.346 176.300 0.306 0.000 1.062 226 D CA -0.417 53.775 54.000 0.321 0.000 0.832 226 D CB 1.967 42.990 40.800 0.372 0.000 1.135 226 D HN 0.588 nan 8.370 nan 0.000 0.484 227 C N 3.207 122.709 119.300 0.337 0.000 2.974 227 C HA 0.138 4.598 4.460 -0.000 0.000 0.282 227 C C 0.553 175.771 174.990 0.381 0.000 1.292 227 C CA -0.936 58.270 59.018 0.315 0.000 1.710 227 C CB -2.075 25.831 27.740 0.275 0.000 2.036 227 C HN 0.875 nan 8.230 nan 0.000 0.629 228 W N 2.319 123.747 121.300 0.213 0.000 7.736 228 W HA -0.307 4.353 4.660 -0.001 0.000 0.423 228 W C 0.939 177.539 176.519 0.135 0.000 1.715 228 W CA 0.980 58.450 57.345 0.208 0.000 1.239 228 W CB -1.337 28.236 29.460 0.189 0.000 2.950 228 W HN 0.618 nan 8.180 nan 0.000 1.655 229 M N -0.353 119.276 119.600 0.048 0.000 2.763 229 M HA -0.398 4.082 4.480 -0.000 0.000 0.178 229 M C 1.506 177.803 176.300 -0.006 0.000 0.620 229 M CA 1.594 56.855 55.300 -0.064 0.000 0.594 229 M CB -2.229 30.174 32.600 -0.329 0.000 2.167 229 M HN 0.431 nan 8.290 nan 0.000 0.512 230 S N -1.650 114.114 115.700 0.107 0.000 2.593 230 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 230 S C 0.634 175.261 174.600 0.045 0.000 0.966 230 S CA 0.107 58.363 58.200 0.093 0.000 0.914 230 S CB 0.301 63.600 63.200 0.166 0.000 0.776 230 S HN 0.725 nan 8.310 nan 0.000 0.523 231 Q N 0.834 120.668 119.800 0.056 0.000 2.990 231 Q HA 0.596 4.936 4.340 -0.000 0.000 0.255 231 Q C -1.442 174.568 176.000 0.018 0.000 1.040 231 Q CA -1.101 54.736 55.803 0.058 0.000 0.897 231 Q CB 0.600 29.475 28.738 0.228 0.000 1.429 231 Q HN 0.462 nan 8.270 nan 0.000 0.497 232 D N -1.753 118.682 120.400 0.059 0.000 2.566 232 D HA 0.231 4.871 4.640 -0.000 0.000 0.254 232 D C 0.485 176.811 176.300 0.044 0.000 1.090 232 D CA -0.832 53.177 54.000 0.015 0.000 1.034 232 D CB 0.619 41.427 40.800 0.013 0.000 1.434 232 D HN 0.197 nan 8.370 nan 0.000 0.509 233 V N 0.472 120.387 119.914 0.002 0.000 2.282 233 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 233 V C 2.251 178.379 176.094 0.056 0.000 1.057 233 V CA 2.561 64.868 62.300 0.012 0.000 1.032 233 V CB -1.172 30.648 31.823 -0.005 0.000 0.645 233 V HN 0.741 nan 8.190 nan 0.000 0.447 234 N N -0.651 118.089 118.700 0.066 0.000 2.084 234 N HA -0.244 4.496 4.740 -0.000 0.000 0.190 234 N C 1.856 177.430 175.510 0.106 0.000 1.030 234 N CA 1.912 55.006 53.050 0.074 0.000 0.849 234 N CB -0.403 38.125 38.487 0.069 0.000 1.012 234 N HN 0.551 nan 8.380 nan 0.000 0.423 235 Y N 0.569 120.887 120.300 0.030 0.000 2.181 235 Y HA -0.059 4.491 4.550 -0.000 0.000 0.288 235 Y C 2.269 178.207 175.900 0.064 0.000 1.146 235 Y CA 1.785 59.912 58.100 0.045 0.000 1.164 235 Y CB -0.704 37.783 38.460 0.045 0.000 0.982 235 Y HN 0.199 nan 8.280 nan 0.000 0.515 236 A N -0.971 121.948 122.820 0.165 0.000 1.933 236 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 236 A C 2.228 179.844 177.584 0.053 0.000 1.175 236 A CA 2.251 54.351 52.037 0.105 0.000 0.628 236 A CB -1.285 17.785 19.000 0.117 0.000 0.814 236 A HN 0.496 nan 8.150 nan 0.000 0.444 237 T N -0.025 114.570 114.554 0.068 0.000 2.708 237 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 237 T C 1.941 176.723 174.700 0.136 0.000 1.037 237 T CA 1.744 63.917 62.100 0.123 0.000 1.146 237 T CB -0.193 68.735 68.868 0.101 0.000 0.865 237 T HN 0.555 nan 8.240 nan 0.000 0.435 238 K N 0.476 120.880 120.400 0.007 0.000 2.057 238 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 238 K C 2.194 178.758 176.600 -0.060 0.000 1.049 238 K CA 0.930 57.192 56.287 -0.042 0.000 0.931 238 K CB -0.368 32.057 32.500 -0.125 0.000 0.714 238 K HN 0.121 nan 8.250 nan 0.000 0.440 239 L N 1.121 122.243 121.223 -0.168 0.000 2.046 239 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 239 L C 2.197 179.064 176.870 -0.005 0.000 1.077 239 L CA 1.785 56.551 54.840 -0.124 0.000 0.747 239 L CB -0.729 41.230 42.059 -0.166 0.000 0.896 239 L HN 0.131 nan 8.230 nan 0.000 0.432 240 A N -1.364 121.463 122.820 0.012 0.000 1.883 240 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 240 A C 2.263 179.799 177.584 -0.080 0.000 1.186 240 A CA 1.853 53.879 52.037 -0.019 0.000 0.624 240 A CB -1.029 17.948 19.000 -0.038 0.000 0.822 240 A HN 0.681 nan 8.150 nan 0.000 0.444 241 H N -0.801 118.259 119.070 -0.016 0.000 2.423 241 H HA 0.013 4.569 4.556 -0.000 0.000 0.297 241 H C 2.459 177.766 175.328 -0.035 0.000 1.075 241 H CA 1.253 57.284 56.048 -0.028 0.000 1.342 241 H CB -0.160 29.583 29.762 -0.031 0.000 1.395 241 H HN 0.549 nan 8.280 nan 0.000 0.530 242 A N 0.120 122.989 122.820 0.082 0.000 2.015 242 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 242 A C 2.419 180.060 177.584 0.096 0.000 1.163 242 A CA 1.041 53.118 52.037 0.067 0.000 0.646 242 A CB -0.534 18.502 19.000 0.061 0.000 0.806 242 A HN 0.442 nan 8.150 nan 0.000 0.448 243 C N -1.386 117.968 119.300 0.090 0.000 2.799 243 C HA 0.436 4.896 4.460 -0.000 0.000 0.267 243 C C 2.940 177.944 174.990 0.023 0.000 1.257 243 C CA -0.236 58.892 59.018 0.183 0.000 1.702 243 C CB -0.964 26.873 27.740 0.161 0.000 1.934 243 C HN 0.710 nan 8.230 nan 0.000 0.594 244 A N 2.478 125.243 122.820 -0.090 0.000 1.908 244 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 244 A C 0.067 177.515 177.584 -0.227 0.000 1.181 244 A CA 1.816 53.769 52.037 -0.140 0.000 0.627 244 A CB -1.718 17.195 19.000 -0.144 0.000 0.818 244 A HN 0.445 nan 8.150 nan 0.000 0.445 245 P HA -0.096 nan 4.420 nan 0.000 0.223 245 P C 0.291 177.212 177.300 -0.632 0.000 1.144 245 P CA 0.833 63.566 63.100 -0.611 0.000 0.783 245 P CB -0.108 31.059 31.700 -0.887 0.000 0.771 246 F N -2.356 117.593 119.950 -0.001 0.000 2.641 246 F HA 0.293 4.820 4.527 -0.001 0.000 0.302 246 F C 0.716 176.513 175.800 -0.005 0.000 1.098 246 F CA -0.783 57.219 58.000 0.003 0.000 1.318 246 F CB -1.353 37.652 39.000 0.008 0.000 1.035 246 F HN -0.162 nan 8.300 nan 0.000 0.551 247 N N 1.475 120.202 118.700 0.045 0.000 2.714 247 N HA -0.247 4.492 4.740 -0.000 0.000 0.253 247 N C -0.445 175.072 175.510 0.012 0.000 1.024 247 N CA 0.027 53.086 53.050 0.015 0.000 0.726 247 N CB -1.266 37.235 38.487 0.024 0.000 0.908 247 N HN 0.294 nan 8.380 nan 0.000 0.542 248 L N 0.752 121.987 121.223 0.020 0.000 2.513 248 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 248 L C 1.664 178.484 176.870 -0.083 0.000 1.187 248 L CA 0.751 55.577 54.840 -0.024 0.000 0.895 248 L CB 0.416 42.479 42.059 0.006 0.000 1.147 248 L HN 0.333 nan 8.230 nan 0.000 0.483 249 K N 4.320 124.611 120.400 -0.182 0.000 2.057 249 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 249 K C -0.519 176.088 176.600 0.012 0.000 1.049 249 K CA 1.593 57.760 56.287 -0.201 0.000 0.931 249 K CB 0.134 32.371 32.500 -0.438 0.000 0.714 249 K HN 0.769 nan 8.250 nan 0.000 0.440 250 W N -0.978 120.253 121.300 -0.114 0.000 3.146 250 W HA 0.439 5.099 4.660 -0.001 0.000 0.319 250 W C -2.048 174.467 176.519 -0.006 0.000 1.258 250 W CA -1.291 56.017 57.345 -0.063 0.000 1.189 250 W CB 0.355 29.774 29.460 -0.068 0.000 1.412 250 W HN -0.202 nan 8.180 nan 0.000 0.567 251 I N 2.771 123.591 120.570 0.417 0.000 2.418 251 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 251 I C -0.629 175.754 176.117 0.442 0.000 1.008 251 I CA -0.676 60.821 61.300 0.329 0.000 1.104 251 I CB 1.362 39.479 38.000 0.196 0.000 1.264 251 I HN 0.688 nan 8.210 nan 0.000 0.438 252 E N 6.716 127.209 120.200 0.488 0.000 2.204 252 E HA 0.172 4.522 4.350 -0.000 0.000 0.276 252 E C -0.139 176.679 176.600 0.363 0.000 0.974 252 E CA -0.473 56.187 56.400 0.434 0.000 0.815 252 E CB 1.118 31.161 29.700 0.571 0.000 1.119 252 E HN 0.667 nan 8.360 nan 0.000 0.393 253 E N 2.906 123.310 120.200 0.340 0.000 2.183 253 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 253 E C -0.062 176.731 176.600 0.321 0.000 1.364 253 E CA 0.252 56.871 56.400 0.364 0.000 0.700 253 E CB -1.321 28.556 29.700 0.295 0.000 1.106 253 E HN 0.705 nan 8.360 nan 0.000 0.347 254 C N 0.412 119.899 119.300 0.311 0.000 2.432 254 C HA 0.019 4.478 4.460 -0.000 0.000 0.280 254 C C 1.189 176.198 174.990 0.031 0.000 1.353 254 C CA 0.371 59.489 59.018 0.167 0.000 1.766 254 C CB -0.682 27.135 27.740 0.128 0.000 1.924 254 C HN 0.378 nan 8.230 nan 0.000 0.509 255 L N -0.747 120.426 121.223 -0.084 0.000 2.323 255 L HA 0.461 4.801 4.340 -0.000 0.000 0.265 255 L C -2.601 174.220 176.870 -0.081 0.000 1.012 255 L CA -2.157 52.550 54.840 -0.221 0.000 0.820 255 L CB 0.656 42.341 42.059 -0.623 0.000 1.334 255 L HN -0.360 nan 8.230 nan 0.000 0.427 256 P HA 0.021 nan 4.420 nan 0.000 0.268 256 P C -1.928 175.300 177.300 -0.120 0.000 1.208 256 P CA -0.830 62.169 63.100 -0.170 0.000 0.777 256 P CB 0.124 31.711 31.700 -0.189 0.000 0.875 257 P HA -0.212 nan 4.420 nan 0.000 0.217 257 P C 0.850 177.900 177.300 -0.417 0.000 1.148 257 P CA 1.791 64.656 63.100 -0.392 0.000 0.828 257 P CB 0.033 31.276 31.700 -0.763 0.000 0.783 258 Q N -0.170 119.417 119.800 -0.354 0.000 2.369 258 Q HA -0.054 4.286 4.340 -0.000 0.000 0.206 258 Q C 1.369 177.138 176.000 -0.384 0.000 0.963 258 Q CA 0.829 56.411 55.803 -0.368 0.000 0.894 258 Q CB -0.851 27.787 28.738 -0.167 0.000 0.965 258 Q HN 0.500 nan 8.270 nan 0.000 0.475 259 Q N 0.156 119.799 119.800 -0.261 0.000 3.179 259 Q HA 0.019 4.359 4.340 -0.000 0.000 0.328 259 Q C -0.076 175.917 176.000 -0.011 0.000 1.336 259 Q CA -0.207 55.512 55.803 -0.141 0.000 0.939 259 Q CB -0.105 28.530 28.738 -0.172 0.000 1.658 259 Q HN 0.427 nan 8.270 nan 0.000 0.486 260 Y N 0.381 120.785 120.300 0.174 0.000 2.165 260 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 260 Y C 1.816 177.796 175.900 0.133 0.000 1.155 260 Y CA 1.302 59.513 58.100 0.185 0.000 1.164 260 Y CB 0.032 38.542 38.460 0.084 0.000 0.978 260 Y HN 0.362 nan 8.280 nan 0.000 0.513 261 E N -0.449 119.886 120.200 0.225 0.000 2.110 261 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 261 E C 2.548 179.197 176.600 0.082 0.000 0.988 261 E CA 1.250 57.727 56.400 0.128 0.000 0.804 261 E CB -0.752 28.999 29.700 0.085 0.000 0.745 261 E HN 0.489 nan 8.360 nan 0.000 0.458 262 G N -0.547 108.269 108.800 0.027 0.000 2.408 262 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 262 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 262 G C 1.220 176.087 174.900 -0.055 0.000 1.150 262 G CA 0.513 45.580 45.100 -0.055 0.000 0.776 262 G HN 0.258 nan 8.290 nan 0.000 0.542 263 Y N 0.298 120.624 120.300 0.044 0.000 2.224 263 Y HA -0.075 4.475 4.550 -0.000 0.000 0.289 263 Y C 3.002 178.932 175.900 0.050 0.000 1.146 263 Y CA 1.521 59.651 58.100 0.049 0.000 1.182 263 Y CB -0.018 38.475 38.460 0.055 0.000 0.983 263 Y HN 0.099 nan 8.280 nan 0.000 0.524 264 R N 0.807 121.431 120.500 0.207 0.000 2.073 264 R HA -0.232 4.108 4.340 -0.000 0.000 0.234 264 R C 2.200 178.555 176.300 0.092 0.000 1.134 264 R CA 2.011 58.188 56.100 0.129 0.000 0.952 264 R CB -0.305 30.056 30.300 0.101 0.000 0.850 264 R HN 0.438 nan 8.270 nan 0.000 0.433 265 E N 0.136 120.380 120.200 0.073 0.000 2.072 265 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 265 E C 2.001 178.635 176.600 0.058 0.000 0.985 265 E CA 1.073 57.504 56.400 0.052 0.000 0.801 265 E CB -0.093 29.627 29.700 0.033 0.000 0.750 265 E HN 0.304 nan 8.360 nan 0.000 0.452 266 L N 1.631 122.891 121.223 0.061 0.000 2.046 266 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 266 L C 2.287 179.213 176.870 0.093 0.000 1.077 266 L CA 2.055 56.938 54.840 0.072 0.000 0.747 266 L CB -0.624 41.471 42.059 0.059 0.000 0.896 266 L HN 0.008 nan 8.230 nan 0.000 0.432 267 K N 0.021 120.486 120.400 0.109 0.000 2.063 267 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 267 K C 2.201 178.841 176.600 0.066 0.000 1.048 267 K CA 1.669 58.010 56.287 0.089 0.000 0.928 267 K CB -0.270 32.282 32.500 0.087 0.000 0.713 267 K HN 0.346 nan 8.250 nan 0.000 0.442 268 R N -0.002 120.536 120.500 0.064 0.000 2.120 268 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 268 R C 1.387 177.726 176.300 0.065 0.000 1.123 268 R CA 1.375 57.507 56.100 0.053 0.000 0.975 268 R CB -0.287 30.041 30.300 0.046 0.000 0.866 268 R HN 0.266 nan 8.270 nan 0.000 0.446 269 N N 0.430 119.178 118.700 0.081 0.000 2.467 269 N HA 0.042 4.782 4.740 -0.000 0.000 0.184 269 N C 0.008 175.625 175.510 0.178 0.000 1.106 269 N CA 0.313 53.436 53.050 0.121 0.000 0.892 269 N CB 0.198 38.753 38.487 0.112 0.000 0.969 269 N HN 0.132 nan 8.380 nan 0.000 0.454 270 A N 1.949 124.822 122.820 0.087 0.000 2.483 270 A HA 0.308 4.628 4.320 -0.000 0.000 0.238 270 A C -2.022 175.515 177.584 -0.080 0.000 1.070 270 A CA -0.754 51.282 52.037 -0.001 0.000 0.770 270 A CB -0.324 18.681 19.000 0.008 0.000 1.008 270 A HN 0.003 nan 8.150 nan 0.000 0.497 271 P HA 0.231 nan 4.420 nan 0.000 0.267 271 P C -0.110 177.128 177.300 -0.103 0.000 1.200 271 P CA 0.419 63.347 63.100 -0.287 0.000 0.772 271 P CB 0.486 31.940 31.700 -0.410 0.000 0.855 272 A N 2.906 125.698 122.820 -0.047 0.000 2.566 272 A HA 0.383 4.703 4.320 -0.000 0.000 0.245 272 A C 1.618 179.180 177.584 -0.036 0.000 1.056 272 A CA 0.870 52.891 52.037 -0.026 0.000 0.757 272 A CB -1.430 17.564 19.000 -0.010 0.000 0.979 272 A HN 0.886 nan 8.150 nan 0.000 0.508 273 G N 1.366 110.149 108.800 -0.028 0.000 2.253 273 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.251 273 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.251 273 G C 0.414 175.293 174.900 -0.034 0.000 0.998 273 G CA 0.530 45.611 45.100 -0.031 0.000 0.621 273 G HN 1.139 nan 8.290 nan 0.000 0.524 274 M N 1.891 121.469 119.600 -0.037 0.000 2.180 274 M HA 0.689 5.168 4.480 -0.000 0.000 0.358 274 M C 0.679 176.989 176.300 0.016 0.000 1.233 274 M CA -0.288 54.999 55.300 -0.020 0.000 1.114 274 M CB 0.429 33.001 32.600 -0.047 0.000 1.594 274 M HN 0.254 nan 8.290 nan 0.000 0.467 275 M N 3.812 123.450 119.600 0.064 0.000 2.342 275 M HA 0.454 4.934 4.480 -0.000 0.000 0.332 275 M C -0.930 175.442 176.300 0.120 0.000 1.166 275 M CA -0.826 54.518 55.300 0.074 0.000 1.086 275 M CB 1.578 34.215 32.600 0.062 0.000 1.541 275 M HN 0.394 nan 8.290 nan 0.000 0.462 276 V N 1.106 121.061 119.914 0.068 0.000 2.487 276 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 276 V C 0.019 176.119 176.094 0.009 0.000 1.028 276 V CA -0.540 61.822 62.300 0.102 0.000 0.860 276 V CB 1.764 33.663 31.823 0.127 0.000 0.991 276 V HN 1.026 nan 8.190 nan 0.000 0.427 277 T N 1.131 115.686 114.554 0.002 0.000 2.887 277 T HA 0.905 5.255 4.350 -0.000 0.000 0.292 277 T C -0.477 174.190 174.700 -0.056 0.000 1.087 277 T CA -0.532 61.487 62.100 -0.134 0.000 1.009 277 T CB 2.215 70.841 68.868 -0.404 0.000 1.203 277 T HN 0.884 nan 8.240 nan 0.000 0.518 278 S N -1.831 113.800 115.700 -0.115 0.000 2.660 278 S HA 0.630 5.100 4.470 -0.000 0.000 0.264 278 S C 0.384 174.980 174.600 -0.007 0.000 1.131 278 S CA 0.491 58.648 58.200 -0.072 0.000 0.846 278 S CB 0.687 63.638 63.200 -0.415 0.000 1.151 278 S HN 2.472 nan 8.310 nan 0.000 0.486 279 G N 1.255 110.141 108.800 0.142 0.000 2.380 279 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.197 279 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.197 279 G C 0.718 175.838 174.900 0.368 0.000 1.001 279 G CA 1.085 46.355 45.100 0.284 0.000 0.668 279 G HN 1.061 nan 8.290 nan 0.000 0.483 280 E N 0.038 120.367 120.200 0.215 0.000 2.209 280 E HA -0.168 4.181 4.350 -0.000 0.000 0.196 280 E C 1.501 178.140 176.600 0.065 0.000 0.993 280 E CA 1.285 57.733 56.400 0.081 0.000 0.819 280 E CB -0.361 29.267 29.700 -0.119 0.000 0.745 280 E HN 0.589 nan 8.360 nan 0.000 0.477 281 H N -0.328 118.851 119.070 0.181 0.000 2.551 281 H HA 0.185 4.741 4.556 -0.000 0.000 0.271 281 H C 0.207 175.485 175.328 -0.083 0.000 0.984 281 H CA 0.044 56.108 56.048 0.026 0.000 1.164 281 H CB 0.184 29.829 29.762 -0.194 0.000 1.437 281 H HN 0.230 nan 8.280 nan 0.000 0.550 282 H N 0.125 119.243 119.070 0.080 0.000 2.547 282 H HA 0.419 4.975 4.556 -0.000 0.000 0.362 282 H C 0.587 175.988 175.328 0.122 0.000 1.181 282 H CA 0.182 56.163 56.048 -0.111 0.000 1.376 282 H CB 1.780 31.140 29.762 -0.670 0.000 1.488 282 H HN 0.300 nan 8.280 nan 0.000 0.583 283 G N -0.150 108.781 108.800 0.218 0.000 2.659 283 G HA2 0.468 4.428 3.960 -0.000 0.000 0.296 283 G HA3 0.468 4.428 3.960 -0.000 0.000 0.296 283 G C -0.824 174.252 174.900 0.294 0.000 1.369 283 G CA -0.235 45.067 45.100 0.336 0.000 0.937 283 G HN 0.924 nan 8.290 nan 0.000 0.485 284 T N -1.425 113.324 114.554 0.325 0.000 0.541 284 T HA -0.189 4.161 4.350 -0.000 0.000 0.774 284 T C 0.725 175.625 174.700 0.334 0.000 0.992 284 T CA 0.437 62.683 62.100 0.243 0.000 4.077 284 T CB -0.870 68.077 68.868 0.132 0.000 2.303 284 T HN 1.809 nan 8.240 nan 0.000 0.398 285 L N 2.023 123.384 121.223 0.229 0.000 2.079 285 L HA 0.002 4.341 4.340 -0.000 0.000 0.210 285 L C 2.733 179.707 176.870 0.173 0.000 1.081 285 L CA 2.362 57.321 54.840 0.199 0.000 0.752 285 L CB -0.917 41.203 42.059 0.101 0.000 0.896 285 L HN 0.863 nan 8.230 nan 0.000 0.433 286 Q N -0.806 119.058 119.800 0.107 0.000 2.124 286 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 286 Q C 2.374 178.379 176.000 0.009 0.000 0.977 286 Q CA 1.883 57.711 55.803 0.043 0.000 0.850 286 Q CB -0.515 28.235 28.738 0.020 0.000 0.901 286 Q HN 0.501 nan 8.270 nan 0.000 0.429 287 S N -0.223 115.502 115.700 0.042 0.000 2.383 287 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 287 S C 1.414 175.906 174.600 -0.180 0.000 1.026 287 S CA 0.853 59.033 58.200 -0.034 0.000 0.981 287 S CB -0.270 62.959 63.200 0.049 0.000 0.818 287 S HN 0.311 nan 8.310 nan 0.000 0.472 288 F N 1.805 121.741 119.950 -0.023 0.000 2.325 288 F HA 0.054 4.581 4.527 -0.000 0.000 0.299 288 F C 2.439 178.170 175.800 -0.115 0.000 1.090 288 F CA 0.681 58.631 58.000 -0.083 0.000 1.392 288 F CB -0.228 38.742 39.000 -0.051 0.000 1.053 288 F HN 0.085 nan 8.300 nan 0.000 0.521 289 R N 0.218 120.739 120.500 0.035 0.000 2.073 289 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 289 R C 1.869 178.094 176.300 -0.124 0.000 1.134 289 R CA 2.133 58.213 56.100 -0.034 0.000 0.952 289 R CB -0.791 29.487 30.300 -0.036 0.000 0.850 289 R HN 0.165 nan 8.270 nan 0.000 0.433 290 T N 2.135 116.548 114.554 -0.235 0.000 2.746 290 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 290 T C 1.750 176.215 174.700 -0.392 0.000 1.039 290 T CA 1.245 63.093 62.100 -0.421 0.000 1.142 290 T CB -0.264 68.126 68.868 -0.798 0.000 0.866 290 T HN 0.166 nan 8.240 nan 0.000 0.444 291 L N 1.566 122.595 121.223 -0.323 0.000 2.017 291 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 291 L C 2.632 179.426 176.870 -0.127 0.000 1.073 291 L CA 1.886 56.621 54.840 -0.176 0.000 0.745 291 L CB -1.088 40.722 42.059 -0.415 0.000 0.894 291 L HN 0.229 nan 8.230 nan 0.000 0.432 292 A N -0.912 121.850 122.820 -0.098 0.000 1.940 292 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 292 A C 2.134 179.683 177.584 -0.058 0.000 1.176 292 A CA 1.836 53.836 52.037 -0.062 0.000 0.631 292 A CB -0.672 18.306 19.000 -0.036 0.000 0.814 292 A HN 0.626 nan 8.150 nan 0.000 0.446 293 E N -0.458 119.700 120.200 -0.070 0.000 2.478 293 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 293 E C 1.816 178.400 176.600 -0.026 0.000 1.046 293 E CA 1.041 57.410 56.400 -0.053 0.000 0.870 293 E CB -0.232 29.426 29.700 -0.070 0.000 0.818 293 E HN 0.882 nan 8.360 nan 0.000 0.527 294 T N -3.250 111.298 114.554 -0.010 0.000 3.055 294 T HA 0.077 4.427 4.350 -0.000 0.000 0.265 294 T C 1.633 176.354 174.700 0.036 0.000 1.111 294 T CA 0.650 62.777 62.100 0.046 0.000 1.118 294 T CB 0.287 69.225 68.868 0.116 0.000 0.909 294 T HN 0.250 nan 8.240 nan 0.000 0.501 295 G N 1.989 110.791 108.800 0.004 0.000 2.176 295 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.232 295 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.232 295 G C 0.153 175.051 174.900 -0.004 0.000 0.986 295 G CA -0.142 44.958 45.100 0.001 0.000 0.643 295 G HN 1.080 nan 8.290 nan 0.000 0.522 296 I N -1.726 118.835 120.570 -0.016 0.000 2.892 296 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 296 I C 1.147 177.229 176.117 -0.059 0.000 1.205 296 I CA 0.137 61.417 61.300 -0.033 0.000 1.409 296 I CB 0.438 38.383 38.000 -0.091 0.000 1.367 296 I HN -0.025 nan 8.210 nan 0.000 0.597 297 D N 4.513 124.873 120.400 -0.066 0.000 2.123 297 D HA 0.101 4.740 4.640 -0.000 0.000 0.200 297 D C 0.518 176.742 176.300 -0.128 0.000 0.976 297 D CA 1.698 55.648 54.000 -0.085 0.000 0.831 297 D CB 0.277 41.033 40.800 -0.074 0.000 0.974 297 D HN 0.478 nan 8.370 nan 0.000 0.469 298 I N 0.730 121.192 120.570 -0.180 0.000 2.569 298 I HA 0.218 4.388 4.170 -0.000 0.000 0.290 298 I C -0.470 175.541 176.117 -0.178 0.000 1.088 298 I CA -0.510 60.661 61.300 -0.215 0.000 1.047 298 I CB 2.481 40.269 38.000 -0.355 0.000 1.237 298 I HN -0.306 nan 8.210 nan 0.000 0.421 299 M N 5.321 124.855 119.600 -0.110 0.000 2.264 299 M HA 0.379 4.859 4.480 -0.000 0.000 0.352 299 M C -0.558 175.745 176.300 0.005 0.000 1.173 299 M CA -0.319 54.976 55.300 -0.008 0.000 1.075 299 M CB 1.384 34.043 32.600 0.098 0.000 1.621 299 M HN 0.500 nan 8.290 nan 0.000 0.457 300 Q N 3.356 123.211 119.800 0.092 0.000 2.773 300 Q HA 0.295 4.635 4.340 -0.000 0.000 0.373 300 Q C -2.388 173.720 176.000 0.181 0.000 0.940 300 Q CA -1.736 54.130 55.803 0.105 0.000 1.015 300 Q CB 0.434 29.238 28.738 0.110 0.000 1.349 300 Q HN 0.359 nan 8.270 nan 0.000 0.413 301 P HA -0.094 nan 4.420 nan 0.000 0.269 301 P C -0.599 176.751 177.300 0.084 0.000 1.209 301 P CA 0.154 63.355 63.100 0.168 0.000 0.776 301 P CB 1.108 32.700 31.700 -0.180 0.000 0.876 302 D N 1.805 122.236 120.400 0.052 0.000 2.232 302 D HA 0.070 4.710 4.640 -0.000 0.000 0.242 302 D C 1.303 177.573 176.300 -0.049 0.000 1.093 302 D CA -0.544 53.375 54.000 -0.135 0.000 0.845 302 D CB 1.568 41.921 40.800 -0.744 0.000 1.124 302 D HN -0.029 nan 8.370 nan 0.000 0.467 303 V N 3.954 123.853 119.914 -0.024 0.000 2.469 303 V HA -0.145 3.975 4.120 -0.000 0.000 0.251 303 V C 2.252 178.349 176.094 0.004 0.000 1.064 303 V CA 2.066 64.372 62.300 0.010 0.000 1.066 303 V CB -0.505 31.337 31.823 0.032 0.000 0.667 303 V HN 0.759 nan 8.190 nan 0.000 0.461 304 G N -2.291 106.481 108.800 -0.047 0.000 2.985 304 G HA2 -0.068 3.891 3.960 -0.000 0.000 0.209 304 G HA3 -0.068 3.891 3.960 -0.000 0.000 0.209 304 G C 0.917 176.021 174.900 0.340 0.000 1.165 304 G CA 0.052 45.168 45.100 0.026 0.000 0.776 304 G HN 0.569 nan 8.290 nan 0.000 0.541 305 W N -0.908 120.455 121.300 0.106 0.000 2.942 305 W HA 0.185 4.845 4.660 0.000 0.000 0.260 305 W C 2.228 178.825 176.519 0.129 0.000 1.101 305 W CA -0.467 56.942 57.345 0.107 0.000 1.436 305 W CB -1.222 28.299 29.460 0.102 0.000 0.883 305 W HN 0.246 nan 8.180 nan 0.000 0.646 306 C N -0.057 119.455 119.300 0.353 0.000 2.456 306 C HA 0.556 5.015 4.460 -0.000 0.000 0.279 306 C C 1.928 177.076 174.990 0.263 0.000 1.427 306 C CA 1.135 60.352 59.018 0.331 0.000 1.778 306 C CB -0.819 27.048 27.740 0.211 0.000 1.842 306 C HN 0.504 nan 8.230 nan 0.000 0.531 307 G N -1.050 107.888 108.800 0.229 0.000 2.613 307 G HA2 0.460 4.419 3.960 -0.000 0.000 0.199 307 G HA3 0.460 4.419 3.960 -0.000 0.000 0.199 307 G C 0.649 175.722 174.900 0.289 0.000 0.991 307 G CA 0.454 45.709 45.100 0.259 0.000 0.756 307 G HN 2.204 nan 8.290 nan 0.000 0.515 308 G N -1.034 107.867 108.800 0.168 0.000 2.422 308 G HA2 0.237 4.197 3.960 -0.000 0.000 0.607 308 G HA3 0.237 4.197 3.960 -0.000 0.000 0.607 308 G C 0.517 175.452 174.900 0.059 0.000 1.270 308 G CA 0.019 45.189 45.100 0.117 0.000 0.992 308 G HN 1.435 nan 8.290 nan 0.000 0.499 309 L N 0.172 121.433 121.223 0.062 0.000 2.083 309 L HA 0.103 4.443 4.340 -0.000 0.000 0.209 309 L C 2.954 179.794 176.870 -0.051 0.000 1.083 309 L CA 3.548 58.371 54.840 -0.028 0.000 0.752 309 L CB -1.008 40.936 42.059 -0.191 0.000 0.899 309 L HN 0.827 nan 8.230 nan 0.000 0.433 310 T N -0.939 113.626 114.554 0.018 0.000 2.720 310 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 310 T C 1.698 176.341 174.700 -0.094 0.000 1.037 310 T CA 2.093 64.174 62.100 -0.033 0.000 1.144 310 T CB -0.506 68.177 68.868 -0.309 0.000 0.864 310 T HN 0.466 nan 8.240 nan 0.000 0.444 311 T N 2.047 116.543 114.554 -0.097 0.000 2.812 311 T HA 0.051 4.401 4.350 -0.000 0.000 0.264 311 T C 1.897 176.559 174.700 -0.064 0.000 1.042 311 T CA 0.593 62.689 62.100 -0.007 0.000 1.140 311 T CB -0.419 68.510 68.868 0.102 0.000 0.870 311 T HN 0.134 nan 8.240 nan 0.000 0.445 312 L N 1.708 122.900 121.223 -0.051 0.000 2.012 312 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 312 L C 2.368 179.208 176.870 -0.049 0.000 1.073 312 L CA 1.610 56.415 54.840 -0.057 0.000 0.748 312 L CB -0.796 41.291 42.059 0.046 0.000 0.891 312 L HN 0.073 nan 8.230 nan 0.000 0.431 313 V N -0.163 119.767 119.914 0.026 0.000 2.407 313 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 313 V C 2.483 178.488 176.094 -0.148 0.000 1.055 313 V CA 2.070 64.371 62.300 0.002 0.000 1.049 313 V CB -0.743 31.121 31.823 0.068 0.000 0.662 313 V HN 0.542 nan 8.190 nan 0.000 0.455 314 E N -0.046 120.093 120.200 -0.103 0.000 2.072 314 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 314 E C 2.193 178.697 176.600 -0.160 0.000 0.982 314 E CA 1.250 57.589 56.400 -0.101 0.000 0.803 314 E CB -0.174 29.501 29.700 -0.042 0.000 0.755 314 E HN 0.548 nan 8.360 nan 0.000 0.453 315 I N 1.399 121.840 120.570 -0.216 0.000 2.286 315 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 315 I C 2.564 178.498 176.117 -0.305 0.000 1.115 315 I CA 0.883 62.012 61.300 -0.285 0.000 1.392 315 I CB -0.310 37.386 38.000 -0.507 0.000 1.065 315 I HN 0.078 nan 8.210 nan 0.000 0.418 316 A N 0.789 123.355 122.820 -0.423 0.000 1.902 316 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 316 A C 2.542 179.872 177.584 -0.423 0.000 1.181 316 A CA 1.900 53.576 52.037 -0.601 0.000 0.623 316 A CB -0.764 17.395 19.000 -1.403 0.000 0.818 316 A HN 0.435 nan 8.150 nan 0.000 0.443 317 A N -0.508 122.116 122.820 -0.327 0.000 1.898 317 A HA 0.033 4.352 4.320 -0.000 0.000 0.216 317 A C 2.115 179.608 177.584 -0.151 0.000 1.181 317 A CA 1.633 53.546 52.037 -0.206 0.000 0.620 317 A CB -0.602 18.311 19.000 -0.145 0.000 0.819 317 A HN 0.740 nan 8.150 nan 0.000 0.442 318 L N 0.024 121.163 121.223 -0.140 0.000 1.989 318 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 318 L C 2.613 179.423 176.870 -0.100 0.000 1.071 318 L CA 2.488 57.270 54.840 -0.096 0.000 0.749 318 L CB -0.962 41.054 42.059 -0.072 0.000 0.890 318 L HN 0.323 nan 8.230 nan 0.000 0.431 319 A N -0.584 122.158 122.820 -0.130 0.000 1.902 319 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 319 A C 2.479 179.993 177.584 -0.116 0.000 1.181 319 A CA 2.006 53.970 52.037 -0.120 0.000 0.623 319 A CB -0.701 18.210 19.000 -0.148 0.000 0.818 319 A HN 0.547 nan 8.150 nan 0.000 0.443 320 K N 0.397 120.713 120.400 -0.140 0.000 2.097 320 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 320 K C 2.249 178.800 176.600 -0.082 0.000 1.049 320 K CA 1.780 57.997 56.287 -0.116 0.000 0.933 320 K CB -0.212 32.206 32.500 -0.136 0.000 0.717 320 K HN 0.610 nan 8.250 nan 0.000 0.442 321 S N 0.330 115.982 115.700 -0.080 0.000 2.419 321 S HA -0.124 4.345 4.470 -0.000 0.000 0.233 321 S C 1.625 176.196 174.600 -0.050 0.000 1.016 321 S CA 0.797 58.962 58.200 -0.058 0.000 0.974 321 S CB -0.218 62.949 63.200 -0.054 0.000 0.786 321 S HN 0.357 nan 8.310 nan 0.000 0.492 322 R N 0.591 121.058 120.500 -0.055 0.000 2.334 322 R HA 0.318 4.658 4.340 -0.000 0.000 0.216 322 R C 1.320 177.593 176.300 -0.045 0.000 0.905 322 R CA 0.345 56.417 56.100 -0.047 0.000 1.064 322 R CB -0.064 30.207 30.300 -0.049 0.000 1.046 322 R HN 0.547 nan 8.270 nan 0.000 0.508 323 G N 1.551 110.321 108.800 -0.050 0.000 2.176 323 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.252 323 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.252 323 G C -0.135 174.734 174.900 -0.051 0.000 1.024 323 G CA 0.207 45.280 45.100 -0.045 0.000 0.755 323 G HN 0.363 nan 8.290 nan 0.000 0.507 324 Q N -1.277 118.483 119.800 -0.067 0.000 2.333 324 Q HA 0.807 5.147 4.340 -0.000 0.000 0.266 324 Q C 0.397 176.337 176.000 -0.101 0.000 1.053 324 Q CA -1.026 54.731 55.803 -0.077 0.000 0.890 324 Q CB 1.550 30.241 28.738 -0.078 0.000 1.337 324 Q HN 0.312 nan 8.270 nan 0.000 0.474 325 L N 0.319 121.472 121.223 -0.117 0.000 2.352 325 L HA 0.652 4.992 4.340 -0.000 0.000 0.269 325 L C -0.674 176.091 176.870 -0.174 0.000 1.034 325 L CA -1.072 53.676 54.840 -0.154 0.000 0.806 325 L CB 1.424 43.372 42.059 -0.184 0.000 1.244 325 L HN 0.249 nan 8.230 nan 0.000 0.447 326 V N 2.267 122.071 119.914 -0.184 0.000 2.483 326 V HA 0.397 4.517 4.120 -0.000 0.000 0.297 326 V C -0.459 175.544 176.094 -0.151 0.000 1.027 326 V CA -0.508 61.695 62.300 -0.161 0.000 0.855 326 V CB 2.196 33.915 31.823 -0.173 0.000 0.995 326 V HN 0.437 nan 8.190 nan 0.000 0.424 327 V N 7.042 126.872 119.914 -0.140 0.000 2.385 327 V HA 0.336 4.456 4.120 -0.000 0.000 0.277 327 V C -2.459 173.649 176.094 0.022 0.000 1.012 327 V CA -1.807 60.432 62.300 -0.101 0.000 0.832 327 V CB 1.600 33.325 31.823 -0.165 0.000 1.028 327 V HN 0.694 nan 8.190 nan 0.000 0.436 328 P HA -0.019 nan 4.420 nan 0.000 0.267 328 P C -0.317 177.047 177.300 0.107 0.000 1.201 328 P CA 0.182 63.326 63.100 0.073 0.000 0.775 328 P CB 0.290 32.028 31.700 0.064 0.000 0.854 329 H N 2.432 121.490 119.070 -0.019 0.000 2.668 329 H HA 0.240 4.795 4.556 -0.000 0.000 0.303 329 H C 1.317 176.538 175.328 -0.178 0.000 1.074 329 H CA 0.751 56.753 56.048 -0.076 0.000 1.406 329 H CB -0.113 29.565 29.762 -0.139 0.000 1.442 329 H HN 0.704 nan 8.280 nan 0.000 0.482 330 G N 4.167 112.623 108.800 -0.574 0.000 2.698 330 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.337 330 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.337 330 G C 0.791 175.606 174.900 -0.142 0.000 1.286 330 G CA 1.949 46.769 45.100 -0.466 0.000 1.000 330 G HN 1.224 nan 8.290 nan 0.000 0.547 331 S N -1.876 113.828 115.700 0.007 0.000 2.691 331 S HA -0.245 4.224 4.470 -0.000 0.000 0.262 331 S C 1.705 176.325 174.600 0.033 0.000 1.284 331 S CA 2.025 60.333 58.200 0.179 0.000 1.372 331 S CB -1.737 61.539 63.200 0.126 0.000 1.693 331 S HN 2.704 nan 8.310 nan 0.000 0.647 332 S N -0.376 115.143 115.700 -0.301 0.000 3.711 332 S HA -0.371 4.099 4.470 -0.000 0.000 0.625 332 S C 1.482 175.503 174.600 -0.966 0.000 2.458 332 S CA 3.427 61.321 58.200 -0.511 0.000 4.059 332 S CB -1.317 61.720 63.200 -0.273 0.000 0.257 332 S HN 1.809 nan 8.310 nan 0.000 0.974 333 V N 0.057 119.611 119.914 -0.598 0.000 2.568 333 V HA -0.108 4.012 4.120 -0.000 0.000 0.253 333 V C 1.952 177.908 176.094 -0.229 0.000 1.072 333 V CA 2.679 64.799 62.300 -0.301 0.000 1.084 333 V CB -1.617 30.133 31.823 -0.122 0.000 0.676 333 V HN 0.738 nan 8.190 nan 0.000 0.469 334 Y N 1.219 121.387 120.300 -0.220 0.000 2.352 334 Y HA -0.031 4.519 4.550 -0.000 0.000 0.292 334 Y C 3.082 178.920 175.900 -0.103 0.000 1.136 334 Y CA 1.355 59.204 58.100 -0.420 0.000 1.227 334 Y CB -0.871 37.314 38.460 -0.459 0.000 0.991 334 Y HN 0.404 nan 8.280 nan 0.000 0.545 335 S N -1.291 114.403 115.700 -0.010 0.000 2.412 335 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 335 S C 1.678 176.315 174.600 0.061 0.000 1.048 335 S CA 0.676 58.888 58.200 0.019 0.000 0.954 335 S CB -0.478 62.733 63.200 0.017 0.000 0.840 335 S HN 0.592 nan 8.310 nan 0.000 0.503 336 H N 0.304 119.415 119.070 0.069 0.000 2.289 336 H HA -0.136 4.420 4.556 -0.000 0.000 0.294 336 H C 2.110 177.369 175.328 -0.114 0.000 1.095 336 H CA 2.017 58.056 56.048 -0.016 0.000 1.256 336 H CB -0.396 29.380 29.762 0.022 0.000 1.359 336 H HN 0.492 nan 8.280 nan 0.000 0.487 337 H N -0.174 118.989 119.070 0.154 0.000 2.456 337 H HA -0.033 4.523 4.556 -0.000 0.000 0.296 337 H C 2.240 177.526 175.328 -0.070 0.000 1.079 337 H CA 0.859 56.969 56.048 0.104 0.000 1.322 337 H CB 0.128 30.013 29.762 0.206 0.000 1.388 337 H HN 0.473 nan 8.280 nan 0.000 0.538 338 A N 0.725 123.496 122.820 -0.082 0.000 1.862 338 A HA -0.053 4.267 4.320 -0.000 0.000 0.211 338 A C 2.636 179.559 177.584 -1.101 0.000 1.220 338 A CA 1.157 52.894 52.037 -0.501 0.000 0.616 338 A CB -0.869 17.923 19.000 -0.346 0.000 0.878 338 A HN 0.254 nan 8.150 nan 0.000 0.453 339 V N -1.365 118.106 119.914 -0.740 0.000 2.594 339 V HA -0.139 3.981 4.120 -0.000 0.000 0.253 339 V C 2.096 177.953 176.094 -0.394 0.000 1.069 339 V CA 1.902 63.841 62.300 -0.602 0.000 1.082 339 V CB -0.822 30.892 31.823 -0.181 0.000 0.680 339 V HN 0.466 nan 8.190 nan 0.000 0.469 340 I N 1.961 122.324 120.570 -0.345 0.000 2.916 340 I HA -0.137 4.033 4.170 -0.000 0.000 0.267 340 I C 2.180 178.164 176.117 -0.221 0.000 1.263 340 I CA 1.679 62.806 61.300 -0.289 0.000 1.471 340 I CB -0.004 37.762 38.000 -0.390 0.000 1.089 340 I HN 0.661 nan 8.210 nan 0.000 0.468 341 T N -2.641 111.755 114.554 -0.263 0.000 3.054 341 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 341 T C 0.265 175.017 174.700 0.087 0.000 1.035 341 T CA -0.338 61.704 62.100 -0.096 0.000 0.941 341 T CB -0.231 68.595 68.868 -0.070 0.000 1.026 341 T HN -0.052 nan 8.240 nan 0.000 0.533 342 F N 3.526 123.443 119.950 -0.054 0.000 2.405 342 F HA 0.405 4.932 4.527 -0.001 0.000 0.355 342 F C 1.937 177.696 175.800 -0.069 0.000 1.121 342 F CA -1.739 56.223 58.000 -0.064 0.000 1.112 342 F CB 1.158 40.109 39.000 -0.083 0.000 1.126 342 F HN 0.164 nan 8.300 nan 0.000 0.481 343 T N -1.707 112.925 114.554 0.129 0.000 2.915 343 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 343 T C 1.012 175.723 174.700 0.019 0.000 1.071 343 T CA 1.220 63.349 62.100 0.048 0.000 1.132 343 T CB -0.319 68.562 68.868 0.022 0.000 0.878 343 T HN 0.496 nan 8.240 nan 0.000 0.479 344 N N 0.843 119.543 118.700 0.001 0.000 2.327 344 N HA 0.073 4.813 4.740 -0.000 0.000 0.231 344 N C -0.635 174.829 175.510 -0.078 0.000 1.130 344 N CA -0.307 52.711 53.050 -0.054 0.000 0.845 344 N CB 0.079 38.506 38.487 -0.100 0.000 1.073 344 N HN 0.252 nan 8.380 nan 0.000 0.496 345 T N 2.065 116.598 114.554 -0.034 0.000 3.410 345 T HA 0.252 4.601 4.350 -0.000 0.000 0.328 345 T C -1.967 172.645 174.700 -0.146 0.000 1.567 345 T CA -0.895 61.137 62.100 -0.114 0.000 1.626 345 T CB 1.910 70.802 68.868 0.040 0.000 0.939 345 T HN 0.092 nan 8.240 nan 0.000 0.656 346 P HA 0.025 nan 4.420 nan 0.000 0.230 346 P C -0.009 177.377 177.300 0.144 0.000 1.158 346 P CA 0.652 63.760 63.100 0.013 0.000 0.769 346 P CB -0.125 31.664 31.700 0.148 0.000 0.807 347 F N -3.486 116.517 119.950 0.088 0.000 2.713 347 F HA 0.720 5.247 4.527 -0.001 0.000 0.311 347 F C -0.807 175.026 175.800 0.054 0.000 1.141 347 F CA -1.300 56.745 58.000 0.074 0.000 0.939 347 F CB 0.508 39.686 39.000 0.296 0.000 1.325 347 F HN -0.447 nan 8.300 nan 0.000 0.453 348 S N -0.495 115.281 115.700 0.126 0.000 2.704 348 S HA 0.507 4.976 4.470 -0.000 0.000 0.296 348 S C -1.576 173.131 174.600 0.178 0.000 1.138 348 S CA -0.923 57.301 58.200 0.039 0.000 0.875 348 S CB 2.161 65.171 63.200 -0.316 0.000 1.151 348 S HN 0.818 nan 8.310 nan 0.000 0.500 349 E N 0.386 120.646 120.200 0.101 0.000 2.204 349 E HA 0.486 4.836 4.350 -0.000 0.000 0.276 349 E C -1.809 174.851 176.600 0.101 0.000 0.974 349 E CA -0.498 55.710 56.400 -0.321 0.000 0.815 349 E CB 0.867 30.359 29.700 -0.346 0.000 1.119 349 E HN 0.454 nan 8.360 nan 0.000 0.393 350 F N 5.942 125.764 119.950 -0.214 0.000 2.434 350 F HA 0.316 4.843 4.527 0.000 0.000 0.355 350 F C -1.583 174.051 175.800 -0.277 0.000 1.115 350 F CA -1.084 56.795 58.000 -0.201 0.000 1.010 350 F CB 0.995 39.858 39.000 -0.227 0.000 1.234 350 F HN 0.406 nan 8.300 nan 0.000 0.439 351 L N 7.391 128.195 121.223 -0.698 0.000 2.283 351 L HA 0.372 4.712 4.340 -0.000 0.000 0.287 351 L C -0.304 176.288 176.870 -0.463 0.000 1.073 351 L CA -0.314 54.254 54.840 -0.453 0.000 0.822 351 L CB 0.401 42.196 42.059 -0.440 0.000 1.186 351 L HN 0.515 nan 8.230 nan 0.000 0.436 352 M N 4.522 124.019 119.600 -0.172 0.000 2.408 352 M HA -0.007 4.473 4.480 -0.000 0.000 0.363 352 M C 1.240 177.759 176.300 0.365 0.000 1.636 352 M CA 0.599 55.924 55.300 0.041 0.000 1.029 352 M CB 0.047 32.630 32.600 -0.029 0.000 2.068 352 M HN 0.793 nan 8.290 nan 0.000 0.466 353 T N -1.308 113.375 114.554 0.214 0.000 3.060 353 T HA 0.054 4.403 4.350 -0.000 0.000 0.249 353 T C 0.926 175.873 174.700 0.412 0.000 1.079 353 T CA -0.137 62.162 62.100 0.330 0.000 1.013 353 T CB 0.134 69.099 68.868 0.161 0.000 0.975 353 T HN 0.585 nan 8.240 nan 0.000 0.518 354 S N 2.814 118.678 115.700 0.272 0.000 2.516 354 S HA 0.205 4.675 4.470 -0.000 0.000 0.282 354 S C -1.481 173.117 174.600 -0.003 0.000 1.286 354 S CA -1.251 57.035 58.200 0.143 0.000 1.066 354 S CB 0.899 64.171 63.200 0.120 0.000 0.884 354 S HN 0.029 nan 8.310 nan 0.000 0.491 355 P HA -0.143 nan 4.420 nan 0.000 0.216 355 P C 0.494 177.715 177.300 -0.132 0.000 1.154 355 P CA 1.404 64.171 63.100 -0.556 0.000 0.865 355 P CB 0.022 31.596 31.700 -0.209 0.000 0.789 356 D N -3.074 117.314 120.400 -0.020 0.000 2.462 356 D HA 0.045 4.685 4.640 -0.000 0.000 0.221 356 D C -0.132 176.154 176.300 -0.022 0.000 1.173 356 D CA -0.598 53.414 54.000 0.019 0.000 0.831 356 D CB -1.274 39.532 40.800 0.009 0.000 1.001 356 D HN 0.067 nan 8.370 nan 0.000 0.499 357 C N 0.930 120.208 119.300 -0.037 0.000 4.356 357 C HA -0.159 4.301 4.460 -0.000 0.000 0.296 357 C C 1.892 176.857 174.990 -0.042 0.000 1.424 357 C CA 0.962 59.917 59.018 -0.106 0.000 2.000 357 C CB -3.306 24.250 27.740 -0.307 0.000 1.262 357 C HN 0.624 nan 8.230 nan 0.000 0.789 358 S N -1.459 114.241 115.700 -0.001 0.000 2.511 358 S HA 0.294 4.764 4.470 -0.000 0.000 0.214 358 S C 0.456 175.076 174.600 0.033 0.000 0.997 358 S CA 0.799 59.005 58.200 0.009 0.000 0.908 358 S CB 0.368 63.570 63.200 0.003 0.000 0.803 358 S HN 1.092 nan 8.310 nan 0.000 0.504 359 T N -0.889 113.700 114.554 0.058 0.000 2.887 359 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 359 T C -0.308 174.466 174.700 0.123 0.000 1.087 359 T CA -0.991 61.151 62.100 0.071 0.000 1.009 359 T CB 1.091 69.995 68.868 0.061 0.000 1.203 359 T HN 0.114 nan 8.240 nan 0.000 0.518 360 L N 1.255 122.540 121.223 0.102 0.000 2.934 360 L HA 0.354 4.694 4.340 -0.000 0.000 0.233 360 L C 1.261 178.250 176.870 0.197 0.000 1.358 360 L CA -0.627 54.292 54.840 0.132 0.000 1.233 360 L CB -0.422 41.620 42.059 -0.028 0.000 1.594 360 L HN 0.575 nan 8.230 nan 0.000 0.439 361 R N 2.940 123.572 120.500 0.221 0.000 2.538 361 R HA 0.101 4.441 4.340 -0.000 0.000 0.282 361 R C -2.052 174.405 176.300 0.261 0.000 1.009 361 R CA -1.192 55.024 56.100 0.193 0.000 1.063 361 R CB 0.517 30.919 30.300 0.169 0.000 0.945 361 R HN 0.034 nan 8.270 nan 0.000 0.414 362 P HA -0.095 nan 4.420 nan 0.000 0.266 362 P C -0.266 177.098 177.300 0.106 0.000 1.193 362 P CA 0.097 63.323 63.100 0.211 0.000 0.770 362 P CB 0.744 32.541 31.700 0.161 0.000 0.836 363 Q N 1.964 121.759 119.800 -0.008 0.000 2.133 363 Q HA -0.174 4.166 4.340 -0.000 0.000 0.208 363 Q C 0.571 176.393 176.000 -0.297 0.000 0.991 363 Q CA 2.175 57.779 55.803 -0.332 0.000 0.867 363 Q CB -0.531 27.892 28.738 -0.524 0.000 0.911 363 Q HN 0.464 nan 8.270 nan 0.000 0.417 364 F N 0.133 120.112 119.950 0.048 0.000 2.772 364 F HA 0.269 4.796 4.527 -0.000 0.000 0.302 364 F C -0.347 175.483 175.800 0.051 0.000 1.136 364 F CA -1.287 56.727 58.000 0.023 0.000 1.322 364 F CB -0.216 38.804 39.000 0.035 0.000 0.967 364 F HN -0.033 nan 8.300 nan 0.000 0.513 365 D N 2.808 123.331 120.400 0.204 0.000 2.533 365 D HA -0.016 4.624 4.640 -0.000 0.000 0.236 365 D C -1.802 174.583 176.300 0.142 0.000 1.137 365 D CA -0.611 53.485 54.000 0.159 0.000 0.867 365 D CB 1.011 41.891 40.800 0.134 0.000 1.170 365 D HN 0.049 nan 8.370 nan 0.000 0.474 366 P HA 0.140 nan 4.420 nan 0.000 0.290 366 P C 0.836 178.194 177.300 0.097 0.000 1.519 366 P CA -0.268 62.894 63.100 0.104 0.000 1.189 366 P CB 0.217 31.962 31.700 0.076 0.000 1.569 367 I N -0.124 120.514 120.570 0.114 0.000 2.614 367 I HA -0.034 4.136 4.170 -0.000 0.000 0.258 367 I C 0.236 176.433 176.117 0.134 0.000 1.189 367 I CA 0.953 62.309 61.300 0.093 0.000 1.462 367 I CB -0.208 37.844 38.000 0.086 0.000 1.092 367 I HN -0.140 nan 8.210 nan 0.000 0.442 368 L N 1.147 122.484 121.223 0.190 0.000 2.287 368 L HA 0.365 4.705 4.340 -0.000 0.000 0.287 368 L C -0.464 176.511 176.870 0.174 0.000 1.022 368 L CA -0.270 54.713 54.840 0.238 0.000 0.814 368 L CB 1.134 43.359 42.059 0.277 0.000 1.217 368 L HN -0.076 nan 8.230 nan 0.000 0.420 369 L N 4.129 125.446 121.223 0.156 0.000 2.349 369 L HA 0.245 4.584 4.340 -0.000 0.000 0.275 369 L C 0.308 177.254 176.870 0.126 0.000 1.115 369 L CA -0.417 54.490 54.840 0.111 0.000 0.820 369 L CB 0.339 42.443 42.059 0.074 0.000 1.135 369 L HN 0.660 nan 8.230 nan 0.000 0.445 370 D N 1.195 121.656 120.400 0.101 0.000 2.772 370 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 370 D C 0.315 176.683 176.300 0.114 0.000 1.143 370 D CA 0.877 54.935 54.000 0.097 0.000 0.700 370 D CB -0.559 40.297 40.800 0.094 0.000 1.076 370 D HN 0.676 nan 8.370 nan 0.000 0.430 371 E N 1.372 121.646 120.200 0.124 0.000 2.299 371 E HA 0.166 4.516 4.350 -0.000 0.000 0.272 371 E C -1.931 174.740 176.600 0.119 0.000 1.043 371 E CA -1.270 55.212 56.400 0.137 0.000 0.895 371 E CB 0.818 30.613 29.700 0.159 0.000 1.011 371 E HN 0.033 nan 8.360 nan 0.000 0.432 372 P HA 0.034 nan 4.420 nan 0.000 0.274 372 P C -0.748 176.594 177.300 0.069 0.000 1.231 372 P CA -0.275 62.875 63.100 0.085 0.000 0.790 372 P CB 1.042 32.796 31.700 0.090 0.000 0.951 373 V N -1.628 118.271 119.914 -0.026 0.000 3.040 373 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 373 V C -2.880 173.031 176.094 -0.306 0.000 1.115 373 V CA -3.069 59.148 62.300 -0.139 0.000 0.998 373 V CB 1.149 32.914 31.823 -0.097 0.000 1.042 373 V HN 0.278 nan 8.190 nan 0.000 0.433 374 P HA 0.310 nan 4.420 nan 0.000 0.268 374 P C -0.842 176.212 177.300 -0.411 0.000 1.205 374 P CA 0.069 62.833 63.100 -0.560 0.000 0.771 374 P CB 0.783 31.965 31.700 -0.864 0.000 0.858 375 V N 3.908 123.645 119.914 -0.295 0.000 2.378 375 V HA 0.262 4.382 4.120 -0.000 0.000 0.288 375 V C 0.605 176.550 176.094 -0.248 0.000 1.016 375 V CA -0.365 61.796 62.300 -0.232 0.000 0.840 375 V CB 0.678 32.413 31.823 -0.147 0.000 0.994 375 V HN 0.761 nan 8.190 nan 0.000 0.431 376 N N 4.284 122.816 118.700 -0.279 0.000 2.735 376 N HA -0.198 4.541 4.740 -0.000 0.000 0.248 376 N C 0.969 176.263 175.510 -0.359 0.000 1.083 376 N CA 1.743 54.633 53.050 -0.267 0.000 0.703 376 N CB -1.029 37.358 38.487 -0.166 0.000 1.005 376 N HN 1.685 nan 8.380 nan 0.000 0.550 377 G N -1.280 107.139 108.800 -0.634 0.000 2.153 377 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.252 377 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.252 377 G C 0.112 174.871 174.900 -0.235 0.000 0.994 377 G CA 0.847 45.459 45.100 -0.814 0.000 0.698 377 G HN 0.782 nan 8.290 nan 0.000 0.521 378 R N -1.300 119.108 120.500 -0.153 0.000 2.774 378 R HA 0.773 5.113 4.340 -0.000 0.000 0.272 378 R C -0.672 175.640 176.300 0.021 0.000 1.000 378 R CA -0.956 55.172 56.100 0.048 0.000 0.906 378 R CB 1.680 31.968 30.300 -0.020 0.000 1.227 378 R HN 0.135 nan 8.270 nan 0.000 0.468 379 I N 1.629 122.258 120.570 0.098 0.000 2.439 379 I HA 0.224 4.394 4.170 -0.000 0.000 0.283 379 I C -0.284 175.808 176.117 -0.042 0.000 1.023 379 I CA -0.691 60.610 61.300 0.001 0.000 1.100 379 I CB 1.429 39.402 38.000 -0.044 0.000 1.238 379 I HN 0.497 nan 8.210 nan 0.000 0.445 380 H N 6.854 125.862 119.070 -0.103 0.000 2.707 380 H HA 0.085 4.641 4.556 -0.001 0.000 0.359 380 H C 0.816 176.053 175.328 -0.151 0.000 1.113 380 H CA 0.378 56.359 56.048 -0.112 0.000 1.422 380 H CB 1.552 31.265 29.762 -0.082 0.000 1.443 380 H HN 0.683 nan 8.280 nan 0.000 0.591 381 K N 1.358 121.408 120.400 -0.583 0.000 2.152 381 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 381 K C 1.779 178.294 176.600 -0.142 0.000 1.048 381 K CA 1.696 57.704 56.287 -0.464 0.000 0.933 381 K CB -0.097 32.069 32.500 -0.557 0.000 0.721 381 K HN 0.466 nan 8.250 nan 0.000 0.447 382 S N 1.021 116.823 115.700 0.171 0.000 2.419 382 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 382 S C 2.033 176.707 174.600 0.124 0.000 1.016 382 S CA 1.050 59.374 58.200 0.208 0.000 0.974 382 S CB -0.618 62.733 63.200 0.251 0.000 0.786 382 S HN 0.167 nan 8.310 nan 0.000 0.492 383 V N 1.815 121.783 119.914 0.089 0.000 2.626 383 V HA -0.004 4.116 4.120 -0.000 0.000 0.252 383 V C 2.063 178.197 176.094 0.067 0.000 1.067 383 V CA 1.363 63.697 62.300 0.056 0.000 1.081 383 V CB -0.791 31.046 31.823 0.023 0.000 0.686 383 V HN 0.546 nan 8.190 nan 0.000 0.468 384 L N -0.711 120.529 121.223 0.027 0.000 2.592 384 L HA 0.161 4.501 4.340 -0.000 0.000 0.227 384 L C 0.396 177.442 176.870 0.293 0.000 1.127 384 L CA 0.102 54.986 54.840 0.074 0.000 0.884 384 L CB -0.256 41.620 42.059 -0.306 0.000 1.065 384 L HN 0.210 nan 8.230 nan 0.000 0.457 385 D N 2.568 123.112 120.400 0.239 0.000 2.767 385 D HA 0.158 4.797 4.640 -0.000 0.000 0.231 385 D C 0.131 176.520 176.300 0.150 0.000 1.105 385 D CA 0.577 54.710 54.000 0.221 0.000 1.024 385 D CB 0.132 41.032 40.800 0.165 0.000 1.123 385 D HN 0.281 nan 8.370 nan 0.000 0.470 386 K N 0.502 121.006 120.400 0.174 0.000 2.512 386 K HA 0.430 4.750 4.320 -0.000 0.000 0.263 386 K C -2.770 173.877 176.600 0.079 0.000 0.966 386 K CA -2.049 54.307 56.287 0.116 0.000 0.851 386 K CB 2.454 35.033 32.500 0.132 0.000 1.395 386 K HN -0.169 nan 8.250 nan 0.000 0.440 387 P HA -0.038 nan 4.420 nan 0.000 0.266 387 P C 0.481 177.743 177.300 -0.063 0.000 1.195 387 P CA 0.862 63.947 63.100 -0.024 0.000 0.768 387 P CB 0.560 32.257 31.700 -0.005 0.000 0.838 388 G N 2.288 110.989 108.800 -0.164 0.000 2.583 388 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.292 388 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.292 388 G C 0.354 174.899 174.900 -0.592 0.000 1.203 388 G CA 0.129 45.046 45.100 -0.304 0.000 0.987 388 G HN 0.426 nan 8.290 nan 0.000 0.554 389 F N 3.089 122.889 119.950 -0.251 0.000 2.692 389 F HA 0.426 4.953 4.527 -0.000 0.000 0.303 389 F C 2.188 177.898 175.800 -0.151 0.000 1.114 389 F CA 1.114 58.850 58.000 -0.439 0.000 1.361 389 F CB 0.251 39.087 39.000 -0.273 0.000 1.063 389 F HN 1.514 nan 8.300 nan 0.000 0.550 390 G N 0.839 109.679 108.800 0.067 0.000 2.166 390 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 390 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 390 G C 0.166 175.167 174.900 0.169 0.000 0.986 390 G CA 0.486 45.677 45.100 0.152 0.000 0.683 390 G HN 0.519 nan 8.290 nan 0.000 0.527 391 V N -4.504 115.521 119.914 0.185 0.000 3.155 391 V HA 0.965 5.085 4.120 -0.000 0.000 0.313 391 V C -0.226 176.101 176.094 0.389 0.000 1.162 391 V CA -1.400 61.043 62.300 0.238 0.000 1.048 391 V CB 2.097 34.053 31.823 0.221 0.000 1.092 391 V HN 0.241 nan 8.190 nan 0.000 0.447 392 E N 0.539 120.960 120.200 0.369 0.000 2.277 392 E HA 0.551 4.900 4.350 -0.000 0.000 0.266 392 E C -1.585 175.074 176.600 0.099 0.000 0.901 392 E CA -1.072 55.509 56.400 0.302 0.000 0.782 392 E CB 2.632 32.405 29.700 0.120 0.000 1.228 392 E HN 0.710 nan 8.360 nan 0.000 0.424 393 L N 2.755 123.676 121.223 -0.503 0.000 2.360 393 L HA 0.164 4.503 4.340 -0.000 0.000 0.276 393 L C -0.217 176.470 176.870 -0.305 0.000 1.121 393 L CA -0.112 54.303 54.840 -0.710 0.000 0.845 393 L CB 0.220 41.565 42.059 -1.190 0.000 1.143 393 L HN 0.369 nan 8.230 nan 0.000 0.452 394 N N 4.396 122.996 118.700 -0.167 0.000 2.508 394 N HA 0.091 4.831 4.740 -0.000 0.000 0.253 394 N C 0.511 175.928 175.510 -0.156 0.000 1.145 394 N CA 0.263 53.249 53.050 -0.106 0.000 0.973 394 N CB 0.143 38.612 38.487 -0.030 0.000 1.305 394 N HN 0.616 nan 8.380 nan 0.000 0.506 395 R N 1.377 121.764 120.500 -0.188 0.000 2.328 395 R HA 0.032 4.372 4.340 -0.000 0.000 0.200 395 R C 0.002 176.215 176.300 -0.144 0.000 0.983 395 R CA 0.200 56.170 56.100 -0.217 0.000 1.062 395 R CB 0.384 30.535 30.300 -0.248 0.000 0.956 395 R HN 0.453 nan 8.270 nan 0.000 0.479 396 D N -0.056 120.286 120.400 -0.098 0.000 2.347 396 D HA -0.019 4.621 4.640 -0.000 0.000 0.213 396 D C 0.267 176.536 176.300 -0.051 0.000 0.985 396 D CA 0.409 54.368 54.000 -0.068 0.000 0.879 396 D CB 0.104 40.877 40.800 -0.045 0.000 0.919 396 D HN 0.141 nan 8.370 nan 0.000 0.526 397 C N 0.395 119.663 119.300 -0.053 0.000 2.605 397 C HA 0.090 4.550 4.460 -0.000 0.000 0.404 397 C C 1.281 176.273 174.990 0.004 0.000 1.284 397 C CA -0.682 58.324 59.018 -0.019 0.000 2.199 397 C CB -0.162 27.561 27.740 -0.028 0.000 2.647 397 C HN 0.369 nan 8.230 nan 0.000 0.604 398 H N 2.194 121.210 119.070 -0.090 0.000 3.195 398 H HA 0.255 4.811 4.556 -0.000 0.000 0.241 398 H C -0.433 174.805 175.328 -0.150 0.000 1.823 398 H CA -0.831 55.153 56.048 -0.106 0.000 1.466 398 H CB -0.289 29.426 29.762 -0.078 0.000 1.819 398 H HN 0.422 nan 8.280 nan 0.000 0.575 399 L N 4.106 125.298 121.223 -0.052 0.000 2.453 399 L HA 0.026 4.366 4.340 -0.000 0.000 0.272 399 L C 0.220 177.001 176.870 -0.148 0.000 1.182 399 L CA 0.698 55.435 54.840 -0.172 0.000 0.858 399 L CB 0.487 42.341 42.059 -0.341 0.000 1.120 399 L HN 0.445 nan 8.230 nan 0.000 0.474 400 K N 3.600 123.803 120.400 -0.328 0.000 2.207 400 K HA 0.435 4.755 4.320 -0.000 0.000 0.255 400 K C -0.419 176.158 176.600 -0.039 0.000 0.941 400 K CA -0.617 55.447 56.287 -0.371 0.000 0.825 400 K CB 1.948 33.848 32.500 -0.999 0.000 1.119 400 K HN 0.400 nan 8.250 nan 0.000 0.430 401 R N 4.194 124.728 120.500 0.057 0.000 2.396 401 R HA 0.188 4.527 4.340 -0.000 0.000 0.292 401 R C -1.534 174.744 176.300 -0.035 0.000 1.240 401 R CA -1.364 54.727 56.100 -0.015 0.000 1.270 401 R CB 0.593 30.852 30.300 -0.070 0.000 1.108 401 R HN 0.341 nan 8.270 nan 0.000 0.573 402 P HA -0.100 nan 4.420 nan 0.000 0.221 402 P C -0.649 176.313 177.300 -0.564 0.000 1.150 402 P CA 1.117 64.059 63.100 -0.264 0.000 0.800 402 P CB 0.301 31.849 31.700 -0.253 0.000 0.787 403 Y N -1.453 118.868 120.300 0.035 0.000 2.576 403 Y HA 0.553 5.102 4.550 -0.000 0.000 0.346 403 Y C 0.526 176.403 175.900 -0.039 0.000 1.018 403 Y CA -0.768 57.330 58.100 -0.003 0.000 1.050 403 Y CB 1.920 40.367 38.460 -0.022 0.000 1.280 403 Y HN -0.293 nan 8.280 nan 0.000 0.474 404 S N 0.558 116.347 115.700 0.149 0.000 2.651 404 S HA 0.641 5.111 4.470 -0.000 0.000 0.279 404 S C -1.533 173.138 174.600 0.119 0.000 1.148 404 S CA -0.890 57.346 58.200 0.060 0.000 0.837 404 S CB 2.183 65.368 63.200 -0.024 0.000 1.138 404 S HN 0.843 nan 8.310 nan 0.000 0.478 405 H N 0.000 119.039 119.070 -0.052 0.000 2.539 405 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 405 H CA 0.000 56.017 56.048 -0.052 0.000 1.023 405 H CB 0.000 29.719 29.762 -0.071 0.000 1.292 405 H HN 0.000 nan 8.280 nan 0.000 0.496