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 2nlx_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYIGIDLGTS GVKVILLNEQ GEVVAAQTEK LTVSRPHPLW SEQDPEQWWQ DATA SEQUENCE ATDRAMKALG DQHSLQDVKA LGIAGQMHGA TLLDAQQRVL RPAILWNDGR DATA SEQUENCE CAQECTLLEA RVPQSRVITG NLMMPGFTAP KLLWVQRHEP EIFRQIDKVL DATA SEQUENCE LPKDYLRLRM TGEFASDMSD AAGTMWLDVA KRDWSDVMLQ ACDLSRDQMP DATA SEQUENCE ALYEGSEITG ALLPEVAKAW GMATVPVVAG GGDNAAGAVG VGMVDANQAM DATA SEQUENCE LSLGTSGVYF AVSEGFLSKP ESAVHSFCHA LPQRWHLMSV MLSAASCLDW DATA SEQUENCE AAKLTGLSNV PALIAAAQQA DESAEPVWFL PYLSXXXXXX XXPQAKGVFF DATA SEQUENCE GLTHQHGPNE LARAVLEGVG YALADGMDVV HACGIKPQSV TLIGGGARSE DATA SEQUENCE YWRQMLADIS GQQLDYRTGG DVGPALGAAR LAQIAANPEK SLIELLPQLP DATA SEQUENCE LEQSHLPDAQ RYAAYQPRRE TFRRLYQQLL PLMA 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 0.000 175.797 176.300 -0.838 0.000 1.140 1 M CA 0.000 54.997 55.300 -0.505 0.000 0.988 1 M CB 0.000 32.480 32.600 -0.200 0.000 1.302 2 Y N 1.001 121.286 120.300 -0.024 0.000 2.524 2 Y HA 0.709 5.261 4.550 0.003 0.000 0.347 2 Y C -0.197 175.684 175.900 -0.032 0.000 1.005 2 Y CA -0.939 57.146 58.100 -0.024 0.000 1.025 2 Y CB 2.029 40.470 38.460 -0.032 0.000 1.275 2 Y HN 0.450 nan 8.280 nan 0.000 0.460 3 I N 2.041 122.681 120.570 0.118 0.000 2.441 3 I HA 0.531 4.703 4.170 0.003 0.000 0.295 3 I C 0.262 176.400 176.117 0.034 0.000 0.994 3 I CA -0.386 60.940 61.300 0.043 0.000 1.144 3 I CB 1.571 39.582 38.000 0.018 0.000 1.314 3 I HN 0.814 nan 8.210 nan 0.000 0.445 4 G N 6.711 115.506 108.800 -0.008 0.000 2.461 4 G HA2 0.746 4.708 3.960 0.003 0.000 0.323 4 G HA3 0.746 4.708 3.960 0.003 0.000 0.323 4 G C -0.850 174.015 174.900 -0.058 0.000 1.229 4 G CA -0.452 44.629 45.100 -0.031 0.000 0.941 4 G HN 0.471 nan 8.290 nan 0.000 0.477 5 I N 1.170 121.707 120.570 -0.056 0.000 2.441 5 I HA 0.309 4.481 4.170 0.003 0.000 0.295 5 I C -1.146 174.926 176.117 -0.074 0.000 0.994 5 I CA -0.802 60.454 61.300 -0.072 0.000 1.144 5 I CB 2.420 40.386 38.000 -0.057 0.000 1.314 5 I HN 0.325 nan 8.210 nan 0.000 0.445 6 D N 6.642 126.992 120.400 -0.084 0.000 2.461 6 D HA 0.233 4.875 4.640 0.003 0.000 0.240 6 D C -0.617 175.625 176.300 -0.098 0.000 1.094 6 D CA -0.354 53.591 54.000 -0.091 0.000 0.868 6 D CB 1.185 41.934 40.800 -0.084 0.000 1.062 6 D HN 0.408 nan 8.370 nan 0.000 0.530 7 L N 4.329 125.476 121.223 -0.127 0.000 2.536 7 L HA 0.322 4.663 4.340 0.003 0.000 0.282 7 L C 1.024 177.798 176.870 -0.161 0.000 1.174 7 L CA -0.197 54.537 54.840 -0.176 0.000 0.989 7 L CB -0.268 41.608 42.059 -0.304 0.000 1.311 7 L HN 0.472 nan 8.230 nan 0.000 0.455 8 G N 2.157 110.904 108.800 -0.089 0.000 2.489 8 G HA2 0.103 4.065 3.960 0.003 0.000 0.271 8 G HA3 0.103 4.065 3.960 0.003 0.000 0.271 8 G C 0.705 175.622 174.900 0.028 0.000 1.427 8 G CA 0.017 45.091 45.100 -0.043 0.000 1.057 8 G HN 0.539 nan 8.290 nan 0.000 0.532 9 T N -0.874 113.753 114.554 0.121 0.000 3.037 9 T HA 0.087 4.438 4.350 0.003 0.000 0.251 9 T C 2.267 177.095 174.700 0.215 0.000 1.079 9 T CA 1.164 63.417 62.100 0.255 0.000 1.067 9 T CB 0.126 69.260 68.868 0.444 0.000 0.948 9 T HN 0.574 nan 8.240 nan 0.000 0.496 10 S N -0.111 115.679 115.700 0.151 0.000 2.727 10 S HA 0.478 4.950 4.470 0.003 0.000 0.249 10 S C 0.935 175.591 174.600 0.094 0.000 1.079 10 S CA 0.003 58.278 58.200 0.125 0.000 0.912 10 S CB 0.453 63.720 63.200 0.111 0.000 0.861 10 S HN 0.425 nan 8.310 nan 0.000 0.484 11 G N 1.192 110.034 108.800 0.071 0.000 2.714 11 G HA2 0.665 4.627 3.960 0.003 0.000 0.292 11 G HA3 0.665 4.627 3.960 0.003 0.000 0.292 11 G C -1.087 173.827 174.900 0.024 0.000 1.308 11 G CA -0.404 44.721 45.100 0.042 0.000 0.964 11 G HN 0.985 nan 8.290 nan 0.000 0.484 12 V N -1.898 118.017 119.914 0.001 0.000 2.680 12 V HA 0.841 4.963 4.120 0.003 0.000 0.309 12 V C -0.566 175.494 176.094 -0.055 0.000 1.052 12 V CA -1.255 61.024 62.300 -0.035 0.000 0.908 12 V CB 1.610 33.408 31.823 -0.041 0.000 1.001 12 V HN 0.839 nan 8.190 nan 0.000 0.431 13 K N 3.188 123.547 120.400 -0.068 0.000 2.426 13 K HA 0.779 5.101 4.320 0.003 0.000 0.254 13 K C -1.163 175.381 176.600 -0.093 0.000 0.936 13 K CA -0.696 55.547 56.287 -0.073 0.000 0.801 13 K CB 2.280 34.746 32.500 -0.057 0.000 1.139 13 K HN 1.107 nan 8.250 nan 0.000 0.424 14 V N 3.907 123.755 119.914 -0.110 0.000 2.448 14 V HA 0.668 4.790 4.120 0.003 0.000 0.295 14 V C -0.266 175.767 176.094 -0.102 0.000 1.025 14 V CA -0.807 61.416 62.300 -0.128 0.000 0.859 14 V CB 0.988 32.692 31.823 -0.198 0.000 0.988 14 V HN 0.786 nan 8.190 nan 0.000 0.431 15 I N 2.714 123.234 120.570 -0.084 0.000 2.740 15 I HA 0.678 4.850 4.170 0.003 0.000 0.303 15 I C -1.296 174.786 176.117 -0.058 0.000 1.044 15 I CA -1.099 60.160 61.300 -0.068 0.000 1.064 15 I CB 2.383 40.349 38.000 -0.056 0.000 1.249 15 I HN 0.699 nan 8.210 nan 0.000 0.433 16 L N 5.872 127.057 121.223 -0.062 0.000 2.305 16 L HA 0.556 4.897 4.340 0.003 0.000 0.284 16 L C -1.108 175.728 176.870 -0.057 0.000 1.013 16 L CA -0.731 54.071 54.840 -0.063 0.000 0.819 16 L CB 1.567 43.565 42.059 -0.101 0.000 1.227 16 L HN 0.642 nan 8.230 nan 0.000 0.417 17 L N 4.738 125.962 121.223 0.001 0.000 2.325 17 L HA 0.429 4.771 4.340 0.003 0.000 0.278 17 L C 0.002 176.904 176.870 0.054 0.000 1.023 17 L CA -0.624 54.239 54.840 0.038 0.000 0.811 17 L CB 2.063 44.186 42.059 0.106 0.000 1.249 17 L HN 0.699 nan 8.230 nan 0.000 0.431 18 N N 0.635 119.349 118.700 0.023 0.000 2.463 18 N HA 0.113 4.854 4.740 0.003 0.000 0.270 18 N C 0.070 175.645 175.510 0.108 0.000 1.205 18 N CA -0.769 52.290 53.050 0.015 0.000 0.974 18 N CB 1.269 39.742 38.487 -0.024 0.000 1.197 18 N HN 0.456 nan 8.380 nan 0.000 0.504 19 E N -0.015 120.238 120.200 0.088 0.000 2.301 19 E HA -0.254 4.098 4.350 0.003 0.000 0.202 19 E C 1.509 178.183 176.600 0.123 0.000 1.017 19 E CA 1.580 58.078 56.400 0.163 0.000 0.831 19 E CB -0.121 29.625 29.700 0.076 0.000 0.742 19 E HN 0.578 nan 8.360 nan 0.000 0.491 20 Q N -1.355 118.484 119.800 0.064 0.000 2.137 20 Q HA 0.088 4.429 4.340 0.003 0.000 0.198 20 Q C 1.607 177.615 176.000 0.014 0.000 0.960 20 Q CA 1.266 57.085 55.803 0.028 0.000 0.847 20 Q CB 0.015 28.758 28.738 0.009 0.000 0.915 20 Q HN 0.385 nan 8.270 nan 0.000 0.448 21 G N 0.713 109.529 108.800 0.026 0.000 2.148 21 G HA2 -0.165 3.797 3.960 0.003 0.000 0.157 21 G HA3 -0.165 3.797 3.960 0.003 0.000 0.157 21 G C -0.496 174.394 174.900 -0.016 0.000 1.012 21 G CA -0.157 44.939 45.100 -0.007 0.000 0.677 21 G HN 0.325 nan 8.290 nan 0.000 0.506 22 E N -0.005 120.189 120.200 -0.011 0.000 2.248 22 E HA 0.568 4.919 4.350 0.003 0.000 0.272 22 E C 0.148 176.728 176.600 -0.032 0.000 1.008 22 E CA -1.005 55.380 56.400 -0.025 0.000 0.856 22 E CB 2.386 32.071 29.700 -0.025 0.000 1.120 22 E HN 0.072 nan 8.360 nan 0.000 0.397 23 V N 2.627 122.517 119.914 -0.040 0.000 2.508 23 V HA -0.023 4.099 4.120 0.003 0.000 0.281 23 V C 0.776 176.830 176.094 -0.068 0.000 1.041 23 V CA 0.061 62.331 62.300 -0.051 0.000 1.016 23 V CB 1.133 32.928 31.823 -0.046 0.000 0.984 23 V HN 0.617 nan 8.190 nan 0.000 0.478 24 V N 3.397 123.252 119.914 -0.099 0.000 3.212 24 V HA 0.519 4.641 4.120 0.003 0.000 0.244 24 V C 0.707 176.724 176.094 -0.129 0.000 1.151 24 V CA 1.206 63.419 62.300 -0.146 0.000 1.119 24 V CB 0.615 32.279 31.823 -0.266 0.000 0.838 24 V HN 0.970 nan 8.190 nan 0.000 0.470 25 A N -0.720 122.036 122.820 -0.106 0.000 2.599 25 A HA 0.955 5.277 4.320 0.003 0.000 0.290 25 A C -1.288 176.259 177.584 -0.062 0.000 1.101 25 A CA 0.048 52.042 52.037 -0.071 0.000 0.674 25 A CB 1.662 20.627 19.000 -0.059 0.000 1.277 25 A HN 0.909 nan 8.150 nan 0.000 0.419 26 A N -0.236 122.553 122.820 -0.052 0.000 2.594 26 A HA 0.770 5.092 4.320 0.003 0.000 0.296 26 A C -1.220 176.330 177.584 -0.056 0.000 1.056 26 A CA -0.145 51.858 52.037 -0.057 0.000 0.693 26 A CB 1.713 20.683 19.000 -0.050 0.000 1.278 26 A HN 1.713 nan 8.150 nan 0.000 0.408 27 Q N -0.030 119.728 119.800 -0.069 0.000 2.377 27 Q HA 0.756 5.098 4.340 0.003 0.000 0.279 27 Q C -1.173 174.784 176.000 -0.071 0.000 1.049 27 Q CA -0.075 55.686 55.803 -0.070 0.000 0.825 27 Q CB 2.332 31.017 28.738 -0.088 0.000 1.401 27 Q HN 0.820 nan 8.270 nan 0.000 0.404 28 T N 2.402 116.923 114.554 -0.055 0.000 2.907 28 T HA 0.721 5.073 4.350 0.003 0.000 0.292 28 T C -1.412 173.265 174.700 -0.039 0.000 1.043 28 T CA -0.752 61.321 62.100 -0.046 0.000 1.003 28 T CB 1.320 70.172 68.868 -0.027 0.000 1.084 28 T HN 0.461 nan 8.240 nan 0.000 0.483 29 E N 1.625 121.806 120.200 -0.031 0.000 2.290 29 E HA 0.330 4.682 4.350 0.003 0.000 0.274 29 E C -0.934 175.672 176.600 0.009 0.000 0.889 29 E CA -0.737 55.652 56.400 -0.018 0.000 0.760 29 E CB 2.470 32.148 29.700 -0.036 0.000 1.206 29 E HN 0.460 nan 8.360 nan 0.000 0.419 30 K N 1.525 121.938 120.400 0.022 0.000 2.154 30 K HA 0.542 4.863 4.320 0.003 0.000 0.264 30 K C -0.265 176.373 176.600 0.063 0.000 1.008 30 K CA -0.581 55.731 56.287 0.042 0.000 0.937 30 K CB 0.671 33.194 32.500 0.038 0.000 1.002 30 K HN 0.141 nan 8.250 nan 0.000 0.469 31 L N 0.113 121.388 121.223 0.087 0.000 2.303 31 L HA 0.497 4.838 4.340 0.003 0.000 0.256 31 L C 0.129 177.058 176.870 0.097 0.000 1.034 31 L CA -0.645 54.262 54.840 0.113 0.000 0.832 31 L CB 1.849 44.019 42.059 0.186 0.000 1.403 31 L HN 0.868 nan 8.230 nan 0.000 0.419 32 T N -2.312 112.294 114.554 0.087 0.000 2.887 32 T HA 0.890 5.241 4.350 0.003 0.000 0.292 32 T C -0.814 173.929 174.700 0.071 0.000 1.087 32 T CA -0.754 61.388 62.100 0.070 0.000 1.009 32 T CB 1.623 70.518 68.868 0.046 0.000 1.203 32 T HN 0.255 nan 8.240 nan 0.000 0.518 33 V N 1.096 121.044 119.914 0.056 0.000 2.769 33 V HA 0.708 4.830 4.120 0.003 0.000 0.312 33 V C 0.352 176.458 176.094 0.021 0.000 1.058 33 V CA -0.863 61.464 62.300 0.045 0.000 0.952 33 V CB 1.906 33.755 31.823 0.042 0.000 1.019 33 V HN 1.095 nan 8.190 nan 0.000 0.445 34 S N 2.294 118.000 115.700 0.009 0.000 2.541 34 S HA 0.615 5.087 4.470 0.003 0.000 0.283 34 S C -0.027 174.582 174.600 0.016 0.000 1.196 34 S CA -0.593 57.610 58.200 0.006 0.000 1.062 34 S CB 0.512 63.711 63.200 -0.002 0.000 1.009 34 S HN 0.697 nan 8.310 nan 0.000 0.502 35 R N 3.525 124.033 120.500 0.013 0.000 2.638 35 R HA 0.225 4.566 4.340 0.003 0.000 0.269 35 R C -2.243 174.058 176.300 0.001 0.000 1.393 35 R CA -0.979 55.135 56.100 0.024 0.000 1.531 35 R CB 0.917 31.223 30.300 0.011 0.000 1.327 35 R HN 0.456 nan 8.270 nan 0.000 0.709 36 P HA -0.021 nan 4.420 nan 0.000 0.209 36 P C -0.014 177.129 177.300 -0.261 0.000 1.201 36 P CA 0.975 63.952 63.100 -0.205 0.000 0.911 36 P CB 0.236 31.720 31.700 -0.360 0.000 0.758 37 H N -1.306 117.502 119.070 -0.437 0.000 2.505 37 H HA 0.342 4.898 4.556 0.001 0.000 0.358 37 H C -2.088 173.097 175.328 -0.238 0.000 1.304 37 H CA -2.575 53.163 56.048 -0.516 0.000 1.393 37 H CB -1.334 27.794 29.762 -1.056 0.000 1.591 37 H HN -0.025 nan 8.280 nan 0.000 0.595 38 P HA 0.180 nan 4.420 nan 0.000 0.285 38 P C 0.279 177.672 177.300 0.155 0.000 1.259 38 P CA -0.200 62.935 63.100 0.059 0.000 0.794 38 P CB 0.823 32.538 31.700 0.026 0.000 0.940 39 L N -1.761 119.548 121.223 0.143 0.000 4.586 39 L HA -0.186 4.156 4.340 0.003 0.000 0.401 39 L C -0.567 176.433 176.870 0.217 0.000 0.854 39 L CA 0.529 55.460 54.840 0.152 0.000 1.918 39 L CB -1.545 40.615 42.059 0.168 0.000 1.631 39 L HN 0.446 nan 8.230 nan 0.000 0.579 40 W N 1.356 122.602 121.300 -0.090 0.000 2.335 40 W HA 0.615 5.280 4.660 0.008 0.000 0.307 40 W C 0.613 177.049 176.519 -0.140 0.000 1.117 40 W CA -0.548 56.716 57.345 -0.135 0.000 1.228 40 W CB 1.544 30.927 29.460 -0.130 0.000 1.240 40 W HN -0.157 nan 8.180 nan 0.000 0.468 41 S N 3.676 119.356 115.700 -0.032 0.000 2.653 41 S HA 0.403 4.874 4.470 0.003 0.000 0.272 41 S C -0.560 173.992 174.600 -0.079 0.000 1.221 41 S CA -0.518 57.638 58.200 -0.073 0.000 1.149 41 S CB -0.044 63.047 63.200 -0.181 0.000 1.029 41 S HN 0.475 nan 8.310 nan 0.000 0.481 42 E N 2.499 122.682 120.200 -0.028 0.000 2.263 42 E HA 0.517 4.869 4.350 0.003 0.000 0.264 42 E C -0.801 175.780 176.600 -0.032 0.000 0.923 42 E CA -0.848 55.527 56.400 -0.043 0.000 0.802 42 E CB 2.038 31.721 29.700 -0.028 0.000 1.228 42 E HN 0.532 nan 8.360 nan 0.000 0.417 43 Q N 0.612 120.364 119.800 -0.079 0.000 2.418 43 Q HA 0.167 4.508 4.340 0.003 0.000 0.282 43 Q C -1.811 173.966 176.000 -0.372 0.000 1.044 43 Q CA -0.797 54.916 55.803 -0.150 0.000 0.813 43 Q CB 2.366 31.095 28.738 -0.015 0.000 1.428 43 Q HN 0.362 nan 8.270 nan 0.000 0.402 44 D N 1.975 122.119 120.400 -0.425 0.000 2.339 44 D HA 0.206 4.848 4.640 0.003 0.000 0.241 44 D C -1.932 173.853 176.300 -0.858 0.000 1.183 44 D CA -2.012 51.707 54.000 -0.469 0.000 0.859 44 D CB 1.543 42.196 40.800 -0.245 0.000 1.067 44 D HN 0.154 nan 8.370 nan 0.000 0.484 45 P HA -0.150 nan 4.420 nan 0.000 0.220 45 P C 0.909 177.985 177.300 -0.373 0.000 1.144 45 P CA 0.841 63.184 63.100 -1.261 0.000 0.800 45 P CB 0.435 31.354 31.700 -1.303 0.000 0.772 46 E N -0.108 119.981 120.200 -0.185 0.000 2.152 46 E HA -0.188 4.164 4.350 0.003 0.000 0.192 46 E C 2.055 178.751 176.600 0.160 0.000 0.983 46 E CA 1.096 57.570 56.400 0.123 0.000 0.818 46 E CB -0.751 28.995 29.700 0.077 0.000 0.758 46 E HN 0.206 nan 8.360 nan 0.000 0.467 47 Q N -0.887 118.908 119.800 -0.008 0.000 2.224 47 Q HA -0.143 4.199 4.340 0.003 0.000 0.203 47 Q C 1.305 177.431 176.000 0.209 0.000 0.970 47 Q CA 1.331 57.166 55.803 0.054 0.000 0.865 47 Q CB -0.152 28.571 28.738 -0.026 0.000 0.922 47 Q HN 0.355 nan 8.270 nan 0.000 0.445 48 W N 0.107 121.500 121.300 0.156 0.000 2.378 48 W HA -0.208 4.454 4.660 0.003 0.000 0.313 48 W C 2.153 178.792 176.519 0.200 0.000 1.197 48 W CA 0.246 57.695 57.345 0.173 0.000 1.304 48 W CB -1.528 28.071 29.460 0.231 0.000 1.148 48 W HN 0.400 nan 8.180 nan 0.000 0.494 49 W N 1.548 123.122 121.300 0.455 0.000 2.333 49 W HA -0.243 4.418 4.660 0.002 0.000 0.316 49 W C 1.930 178.602 176.519 0.255 0.000 1.215 49 W CA 1.833 59.384 57.345 0.344 0.000 1.278 49 W CB -0.376 29.277 29.460 0.321 0.000 1.154 49 W HN -0.036 nan 8.180 nan 0.000 0.486 50 Q N 0.528 120.365 119.800 0.060 0.000 2.061 50 Q HA -0.198 4.144 4.340 0.003 0.000 0.204 50 Q C 2.445 178.375 176.000 -0.116 0.000 0.984 50 Q CA 2.139 57.916 55.803 -0.044 0.000 0.846 50 Q CB -1.330 27.462 28.738 0.090 0.000 0.902 50 Q HN 0.394 nan 8.270 nan 0.000 0.421 51 A N 0.668 123.476 122.820 -0.020 0.000 1.883 51 A HA -0.186 4.136 4.320 0.003 0.000 0.217 51 A C 2.405 179.916 177.584 -0.122 0.000 1.186 51 A CA 2.181 54.202 52.037 -0.026 0.000 0.624 51 A CB -0.972 18.067 19.000 0.065 0.000 0.822 51 A HN 0.420 nan 8.150 nan 0.000 0.444 52 T N -0.194 114.259 114.554 -0.168 0.000 2.674 52 T HA -0.170 4.181 4.350 0.003 0.000 0.265 52 T C 1.795 176.239 174.700 -0.426 0.000 1.039 52 T CA 1.399 63.340 62.100 -0.266 0.000 1.150 52 T CB -0.446 68.297 68.868 -0.207 0.000 0.864 52 T HN 0.636 nan 8.240 nan 0.000 0.427 53 D N 0.997 121.056 120.400 -0.569 0.000 2.092 53 D HA -0.168 4.474 4.640 0.003 0.000 0.193 53 D C 2.304 178.475 176.300 -0.214 0.000 0.994 53 D CA 1.085 54.885 54.000 -0.334 0.000 0.828 53 D CB 0.005 40.561 40.800 -0.407 0.000 0.963 53 D HN 0.271 nan 8.370 nan 0.000 0.450 54 R N 0.504 120.900 120.500 -0.174 0.000 2.103 54 R HA -0.168 4.174 4.340 0.003 0.000 0.242 54 R C 2.442 178.649 176.300 -0.155 0.000 1.142 54 R CA 1.301 57.334 56.100 -0.112 0.000 0.960 54 R CB -0.559 29.698 30.300 -0.073 0.000 0.858 54 R HN 0.211 nan 8.270 nan 0.000 0.439 55 A N 1.284 123.979 122.820 -0.208 0.000 1.873 55 A HA -0.129 4.192 4.320 0.003 0.000 0.215 55 A C 2.245 179.644 177.584 -0.309 0.000 1.186 55 A CA 1.216 53.122 52.037 -0.219 0.000 0.616 55 A CB -0.307 18.567 19.000 -0.209 0.000 0.823 55 A HN 0.088 nan 8.150 nan 0.000 0.442 56 M N -0.046 119.235 119.600 -0.532 0.000 2.108 56 M HA -0.161 4.321 4.480 0.003 0.000 0.261 56 M C 1.916 177.945 176.300 -0.451 0.000 1.066 56 M CA 1.716 56.561 55.300 -0.758 0.000 1.107 56 M CB -1.186 30.297 32.600 -1.863 0.000 1.356 56 M HN 0.428 nan 8.290 nan 0.000 0.406 57 K N -0.158 120.063 120.400 -0.298 0.000 2.057 57 K HA -0.019 4.303 4.320 0.003 0.000 0.206 57 K C 2.126 178.673 176.600 -0.087 0.000 1.050 57 K CA 1.363 57.590 56.287 -0.100 0.000 0.935 57 K CB -0.264 32.228 32.500 -0.013 0.000 0.715 57 K HN 0.292 nan 8.250 nan 0.000 0.439 58 A N 1.453 124.209 122.820 -0.107 0.000 1.933 58 A HA -0.156 4.166 4.320 0.003 0.000 0.218 58 A C 2.112 179.650 177.584 -0.076 0.000 1.175 58 A CA 1.205 53.196 52.037 -0.077 0.000 0.628 58 A CB -0.492 18.461 19.000 -0.079 0.000 0.814 58 A HN 0.262 nan 8.150 nan 0.000 0.444 59 L N 0.014 121.168 121.223 -0.115 0.000 2.056 59 L HA 0.026 4.367 4.340 0.003 0.000 0.207 59 L C 2.341 179.182 176.870 -0.048 0.000 1.078 59 L CA 2.367 57.152 54.840 -0.092 0.000 0.749 59 L CB -1.035 40.939 42.059 -0.142 0.000 0.901 59 L HN 0.265 nan 8.230 nan 0.000 0.433 60 G N -1.079 107.683 108.800 -0.063 0.000 2.418 60 G HA2 -0.261 3.701 3.960 0.003 0.000 0.217 60 G HA3 -0.261 3.701 3.960 0.003 0.000 0.217 60 G C 1.293 176.187 174.900 -0.012 0.000 1.158 60 G CA 0.797 45.884 45.100 -0.021 0.000 0.771 60 G HN 0.439 nan 8.290 nan 0.000 0.545 61 D N 0.198 120.587 120.400 -0.018 0.000 2.221 61 D HA -0.082 4.560 4.640 0.003 0.000 0.204 61 D C 2.554 178.850 176.300 -0.007 0.000 0.982 61 D CA 0.814 54.807 54.000 -0.012 0.000 0.857 61 D CB -0.014 40.778 40.800 -0.013 0.000 0.934 61 D HN 0.447 nan 8.370 nan 0.000 0.475 62 Q N -0.899 118.903 119.800 0.003 0.000 1.984 62 Q HA -0.039 4.303 4.340 0.003 0.000 0.196 62 Q C 0.860 176.900 176.000 0.066 0.000 0.975 62 Q CA 0.957 56.776 55.803 0.026 0.000 0.827 62 Q CB 0.215 28.967 28.738 0.024 0.000 0.894 62 Q HN 0.326 nan 8.270 nan 0.000 0.438 63 H N -1.235 117.816 119.070 -0.032 0.000 2.797 63 H HA 0.353 4.911 4.556 0.003 0.000 0.362 63 H C -1.316 173.997 175.328 -0.025 0.000 1.183 63 H CA -0.709 55.323 56.048 -0.027 0.000 1.197 63 H CB 2.101 31.845 29.762 -0.030 0.000 1.835 63 H HN -0.041 nan 8.280 nan 0.000 0.567 64 S N 1.352 116.773 115.700 -0.465 0.000 2.489 64 S HA 0.201 4.673 4.470 0.003 0.000 0.277 64 S C 0.470 175.091 174.600 0.035 0.000 1.230 64 S CA -0.666 57.415 58.200 -0.199 0.000 1.053 64 S CB -0.063 62.968 63.200 -0.281 0.000 0.955 64 S HN 0.554 nan 8.310 nan 0.000 0.488 65 L N 4.973 126.221 121.223 0.042 0.000 2.685 65 L HA 0.167 4.509 4.340 0.003 0.000 0.233 65 L C 1.785 178.678 176.870 0.038 0.000 1.173 65 L CA -0.242 54.635 54.840 0.062 0.000 0.961 65 L CB -0.236 41.858 42.059 0.059 0.000 1.217 65 L HN 0.612 nan 8.230 nan 0.000 0.478 66 Q N 0.325 120.134 119.800 0.016 0.000 2.167 66 Q HA -0.125 4.217 4.340 0.003 0.000 0.202 66 Q C 0.899 176.895 176.000 -0.007 0.000 0.970 66 Q CA 1.212 57.017 55.803 0.003 0.000 0.855 66 Q CB 0.037 28.767 28.738 -0.013 0.000 0.911 66 Q HN 0.563 nan 8.270 nan 0.000 0.438 67 D N 0.442 120.837 120.400 -0.008 0.000 2.340 67 D HA 0.035 4.676 4.640 0.003 0.000 0.220 67 D C 0.125 176.370 176.300 -0.091 0.000 1.039 67 D CA 0.032 54.009 54.000 -0.037 0.000 0.866 67 D CB 0.689 41.475 40.800 -0.022 0.000 0.913 67 D HN -0.026 nan 8.370 nan 0.000 0.523 68 V N 1.840 121.710 119.914 -0.072 0.000 2.540 68 V HA -0.079 4.043 4.120 0.003 0.000 0.297 68 V C 1.366 177.386 176.094 -0.123 0.000 1.024 68 V CA 0.528 62.753 62.300 -0.125 0.000 1.105 68 V CB 1.248 33.046 31.823 -0.041 0.000 0.938 68 V HN -0.140 nan 8.190 nan 0.000 0.482 69 K N 3.333 123.599 120.400 -0.224 0.000 2.202 69 K HA 0.447 4.769 4.320 0.003 0.000 0.201 69 K C 0.478 177.072 176.600 -0.011 0.000 1.051 69 K CA 0.976 57.192 56.287 -0.119 0.000 0.977 69 K CB 0.419 32.830 32.500 -0.148 0.000 0.792 69 K HN 0.823 nan 8.250 nan 0.000 0.469 70 A N 0.056 122.904 122.820 0.047 0.000 2.539 70 A HA 0.705 5.026 4.320 0.003 0.000 0.296 70 A C -1.769 175.904 177.584 0.148 0.000 1.073 70 A CA -0.681 51.438 52.037 0.135 0.000 0.700 70 A CB 1.200 20.324 19.000 0.207 0.000 1.296 70 A HN 0.124 nan 8.150 nan 0.000 0.405 71 L N 1.438 122.722 121.223 0.102 0.000 2.385 71 L HA 0.827 5.169 4.340 0.003 0.000 0.273 71 L C 0.063 176.965 176.870 0.054 0.000 0.990 71 L CA -0.338 54.556 54.840 0.091 0.000 0.821 71 L CB 1.882 44.009 42.059 0.112 0.000 1.279 71 L HN 0.941 nan 8.230 nan 0.000 0.412 72 G N 4.872 113.692 108.800 0.033 0.000 2.454 72 G HA2 0.710 4.672 3.960 0.003 0.000 0.329 72 G HA3 0.710 4.672 3.960 0.003 0.000 0.329 72 G C -1.167 173.728 174.900 -0.009 0.000 1.177 72 G CA -0.716 44.381 45.100 -0.004 0.000 0.951 72 G HN 0.815 nan 8.290 nan 0.000 0.485 73 I N -1.964 118.592 120.570 -0.025 0.000 2.769 73 I HA 0.901 5.072 4.170 0.003 0.000 0.298 73 I C -0.465 175.617 176.117 -0.058 0.000 1.128 73 I CA -1.337 59.945 61.300 -0.030 0.000 1.031 73 I CB 2.373 40.372 38.000 -0.001 0.000 1.235 73 I HN 0.767 nan 8.210 nan 0.000 0.423 74 A N 3.078 125.852 122.820 -0.076 0.000 2.556 74 A HA 1.033 5.355 4.320 0.003 0.000 0.294 74 A C -0.550 176.960 177.584 -0.124 0.000 1.091 74 A CA -0.296 51.680 52.037 -0.102 0.000 0.704 74 A CB 1.782 20.717 19.000 -0.108 0.000 1.300 74 A HN 1.387 nan 8.150 nan 0.000 0.406 75 G N -0.284 108.425 108.800 -0.152 0.000 2.646 75 G HA2 0.588 4.549 3.960 0.003 0.000 0.291 75 G HA3 0.588 4.549 3.960 0.003 0.000 0.291 75 G C -0.842 173.929 174.900 -0.216 0.000 1.445 75 G CA -0.245 44.740 45.100 -0.191 0.000 0.814 75 G HN 1.378 nan 8.290 nan 0.000 0.495 76 Q N 0.135 119.800 119.800 -0.225 0.000 2.431 76 Q HA 0.139 4.481 4.340 0.003 0.000 0.349 76 Q C 0.187 176.041 176.000 -0.242 0.000 1.119 76 Q CA 0.674 56.328 55.803 -0.247 0.000 1.065 76 Q CB 0.271 28.928 28.738 -0.135 0.000 1.149 76 Q HN 0.462 nan 8.270 nan 0.000 0.403 77 M N 2.298 121.693 119.600 -0.341 0.000 2.267 77 M HA 0.165 4.647 4.480 0.003 0.000 0.303 77 M C 0.345 176.475 176.300 -0.284 0.000 1.164 77 M CA -0.496 54.494 55.300 -0.517 0.000 1.060 77 M CB 0.624 32.627 32.600 -0.995 0.000 1.455 77 M HN 0.889 nan 8.290 nan 0.000 0.483 78 H N -2.676 116.398 119.070 0.007 0.000 3.904 78 H HA -0.141 4.416 4.556 0.003 0.000 0.189 78 H C 0.574 175.980 175.328 0.130 0.000 0.960 78 H CA 0.806 56.898 56.048 0.073 0.000 1.226 78 H CB -2.184 27.685 29.762 0.178 0.000 1.078 78 H HN 0.921 nan 8.280 nan 0.000 0.347 79 G N 0.647 109.593 108.800 0.242 0.000 2.544 79 G HA2 0.485 4.447 3.960 0.003 0.000 0.242 79 G HA3 0.485 4.447 3.960 0.003 0.000 0.242 79 G C -0.033 175.003 174.900 0.228 0.000 1.247 79 G CA 0.345 45.600 45.100 0.259 0.000 0.840 79 G HN 0.616 nan 8.290 nan 0.000 0.578 80 A N 1.345 124.288 122.820 0.205 0.000 2.340 80 A HA 0.702 5.024 4.320 0.003 0.000 0.297 80 A C -0.029 177.656 177.584 0.168 0.000 1.195 80 A CA -0.548 51.603 52.037 0.189 0.000 0.769 80 A CB 1.239 20.328 19.000 0.149 0.000 1.163 80 A HN 0.629 nan 8.150 nan 0.000 0.472 81 T N 3.918 118.588 114.554 0.192 0.000 2.791 81 T HA 0.498 4.849 4.350 0.003 0.000 0.288 81 T C -0.382 174.385 174.700 0.112 0.000 0.999 81 T CA -0.215 61.971 62.100 0.144 0.000 0.952 81 T CB 0.535 69.539 68.868 0.227 0.000 0.938 81 T HN 0.478 nan 8.240 nan 0.000 0.444 82 L N 4.789 126.048 121.223 0.059 0.000 2.272 82 L HA 0.588 4.929 4.340 0.003 0.000 0.289 82 L C -0.571 176.318 176.870 0.032 0.000 1.032 82 L CA -0.737 54.126 54.840 0.038 0.000 0.810 82 L CB 1.012 43.093 42.059 0.037 0.000 1.205 82 L HN 0.426 nan 8.230 nan 0.000 0.422 83 L N 2.722 123.956 121.223 0.018 0.000 2.381 83 L HA 0.429 4.771 4.340 0.003 0.000 0.268 83 L C -0.547 176.316 176.870 -0.012 0.000 0.997 83 L CA -0.958 53.907 54.840 0.040 0.000 0.818 83 L CB 2.349 44.473 42.059 0.109 0.000 1.310 83 L HN 0.565 nan 8.230 nan 0.000 0.416 84 D N 1.362 121.768 120.400 0.010 0.000 2.466 84 D HA 0.327 4.969 4.640 0.003 0.000 0.262 84 D C 0.967 177.272 176.300 0.008 0.000 1.177 84 D CA -0.344 53.650 54.000 -0.010 0.000 1.035 84 D CB 1.023 41.824 40.800 0.001 0.000 1.105 84 D HN 0.500 nan 8.370 nan 0.000 0.551 85 A N -0.644 122.174 122.820 -0.002 0.000 2.076 85 A HA -0.211 4.110 4.320 0.003 0.000 0.220 85 A C 1.818 179.428 177.584 0.043 0.000 1.160 85 A CA 1.408 53.456 52.037 0.017 0.000 0.653 85 A CB -0.755 18.246 19.000 0.001 0.000 0.801 85 A HN 0.470 nan 8.150 nan 0.000 0.455 86 Q N -1.563 118.258 119.800 0.036 0.000 2.322 86 Q HA 0.196 4.538 4.340 0.003 0.000 0.203 86 Q C -0.143 175.888 176.000 0.052 0.000 0.923 86 Q CA 0.297 56.120 55.803 0.034 0.000 0.949 86 Q CB 0.290 29.041 28.738 0.021 0.000 1.039 86 Q HN 0.562 nan 8.270 nan 0.000 0.496 87 Q N -1.233 118.621 119.800 0.091 0.000 2.503 87 Q HA -0.211 4.130 4.340 0.003 0.000 0.267 87 Q C -0.933 175.140 176.000 0.122 0.000 1.030 87 Q CA 0.740 56.625 55.803 0.138 0.000 1.041 87 Q CB -1.449 27.351 28.738 0.103 0.000 1.406 87 Q HN 0.305 nan 8.270 nan 0.000 0.524 88 R N -0.672 119.882 120.500 0.090 0.000 2.486 88 R HA 0.582 4.924 4.340 0.003 0.000 0.286 88 R C -0.260 176.088 176.300 0.080 0.000 0.999 88 R CA -0.811 55.338 56.100 0.082 0.000 0.993 88 R CB 1.330 31.659 30.300 0.048 0.000 1.084 88 R HN -0.051 nan 8.270 nan 0.000 0.487 89 V N 5.183 125.139 119.914 0.070 0.000 2.415 89 V HA -0.047 4.075 4.120 0.003 0.000 0.267 89 V C 1.416 177.517 176.094 0.012 0.000 1.042 89 V CA 0.130 62.444 62.300 0.023 0.000 1.000 89 V CB 0.738 32.536 31.823 -0.041 0.000 1.015 89 V HN 0.668 nan 8.190 nan 0.000 0.478 90 L N 5.214 126.446 121.223 0.017 0.000 2.217 90 L HA 0.123 4.465 4.340 0.003 0.000 0.211 90 L C 1.110 177.998 176.870 0.031 0.000 1.107 90 L CA 1.362 56.218 54.840 0.026 0.000 0.783 90 L CB -0.885 41.193 42.059 0.031 0.000 0.919 90 L HN 0.865 nan 8.230 nan 0.000 0.442 91 R N -2.185 118.321 120.500 0.010 0.000 2.728 91 R HA 0.423 4.765 4.340 0.003 0.000 0.274 91 R C -3.007 173.265 176.300 -0.047 0.000 1.032 91 R CA -1.346 54.760 56.100 0.010 0.000 0.866 91 R CB 0.259 30.592 30.300 0.055 0.000 1.263 91 R HN -0.315 nan 8.270 nan 0.000 0.475 92 P HA 0.033 nan 4.420 nan 0.000 0.270 92 P C -0.777 176.443 177.300 -0.133 0.000 1.221 92 P CA -0.023 63.002 63.100 -0.125 0.000 0.788 92 P CB 0.400 32.050 31.700 -0.084 0.000 0.904 93 A N 1.937 124.648 122.820 -0.182 0.000 2.320 93 A HA 0.347 4.669 4.320 0.003 0.000 0.287 93 A C -0.174 177.384 177.584 -0.045 0.000 1.181 93 A CA -0.310 51.679 52.037 -0.079 0.000 0.831 93 A CB -0.638 18.344 19.000 -0.029 0.000 1.102 93 A HN 0.388 nan 8.150 nan 0.000 0.513 94 I N 4.036 124.570 120.570 -0.059 0.000 2.389 94 I HA 0.061 4.233 4.170 0.003 0.000 0.295 94 I C 0.661 176.772 176.117 -0.009 0.000 1.117 94 I CA 0.593 61.812 61.300 -0.135 0.000 1.317 94 I CB -0.344 37.515 38.000 -0.235 0.000 1.431 94 I HN 0.541 nan 8.210 nan 0.000 0.521 95 L N 5.467 126.693 121.223 0.006 0.000 2.394 95 L HA 0.007 4.349 4.340 0.003 0.000 0.229 95 L C 1.638 178.564 176.870 0.094 0.000 1.225 95 L CA -0.221 54.686 54.840 0.112 0.000 0.829 95 L CB 0.042 42.127 42.059 0.043 0.000 1.195 95 L HN 0.753 nan 8.230 nan 0.000 0.548 96 W N 0.736 122.103 121.300 0.111 0.000 2.425 96 W HA -0.120 4.543 4.660 0.005 0.000 0.277 96 W C 0.940 177.493 176.519 0.057 0.000 1.231 96 W CA 0.904 58.332 57.345 0.138 0.000 1.248 96 W CB -1.145 28.460 29.460 0.242 0.000 1.117 96 W HN 0.742 nan 8.180 nan 0.000 0.568 97 N N 0.785 119.017 118.700 -0.779 0.000 2.376 97 N HA -0.002 4.740 4.740 0.003 0.000 0.249 97 N C -0.336 174.936 175.510 -0.397 0.000 1.140 97 N CA -0.331 52.277 53.050 -0.735 0.000 0.870 97 N CB -0.078 37.629 38.487 -1.299 0.000 1.124 97 N HN -0.055 nan 8.380 nan 0.000 0.505 98 D N 0.084 120.316 120.400 -0.280 0.000 2.229 98 D HA 0.227 4.868 4.640 0.003 0.000 0.249 98 D C 0.104 176.275 176.300 -0.214 0.000 1.027 98 D CA -0.450 53.403 54.000 -0.245 0.000 0.923 98 D CB 1.895 42.514 40.800 -0.301 0.000 1.174 98 D HN 0.343 nan 8.370 nan 0.000 0.443 99 G N 2.034 110.725 108.800 -0.181 0.000 3.979 99 G HA2 -0.041 3.921 3.960 0.003 0.000 0.287 99 G HA3 -0.041 3.921 3.960 0.003 0.000 0.287 99 G C 1.193 176.020 174.900 -0.121 0.000 1.011 99 G CA -0.343 44.676 45.100 -0.136 0.000 0.818 99 G HN 0.571 nan 8.290 nan 0.000 0.470 100 R N -0.220 120.130 120.500 -0.249 0.000 2.285 100 R HA -0.030 4.312 4.340 0.003 0.000 0.213 100 R C 1.253 177.453 176.300 -0.166 0.000 1.068 100 R CA 1.329 57.295 56.100 -0.223 0.000 1.004 100 R CB -0.819 29.064 30.300 -0.695 0.000 0.873 100 R HN 0.405 nan 8.270 nan 0.000 0.467 101 C N -1.450 117.741 119.300 -0.180 0.000 2.469 101 C HA 0.714 5.176 4.460 0.003 0.000 0.298 101 C C 1.837 176.841 174.990 0.023 0.000 1.436 101 C CA -0.786 58.227 59.018 -0.008 0.000 1.783 101 C CB 0.085 27.810 27.740 -0.025 0.000 2.726 101 C HN 0.434 nan 8.230 nan 0.000 0.541 102 A N 0.591 123.425 122.820 0.022 0.000 2.019 102 A HA -0.169 4.153 4.320 0.003 0.000 0.219 102 A C 2.465 180.071 177.584 0.036 0.000 1.164 102 A CA 1.654 53.699 52.037 0.013 0.000 0.644 102 A CB -0.508 18.498 19.000 0.010 0.000 0.805 102 A HN 0.746 nan 8.150 nan 0.000 0.449 103 Q N -0.254 119.588 119.800 0.070 0.000 2.049 103 Q HA -0.189 4.153 4.340 0.003 0.000 0.198 103 Q C 1.682 177.719 176.000 0.061 0.000 0.971 103 Q CA 1.803 57.648 55.803 0.069 0.000 0.833 103 Q CB -0.132 28.664 28.738 0.097 0.000 0.896 103 Q HN 0.703 nan 8.270 nan 0.000 0.434 104 E N -0.352 119.894 120.200 0.076 0.000 2.331 104 E HA -0.149 4.203 4.350 0.003 0.000 0.199 104 E C 1.964 178.599 176.600 0.058 0.000 1.008 104 E CA 0.870 57.312 56.400 0.070 0.000 0.843 104 E CB -0.222 29.538 29.700 0.100 0.000 0.761 104 E HN 0.334 nan 8.360 nan 0.000 0.507 105 C N -0.417 118.909 119.300 0.043 0.000 2.489 105 C HA -0.097 4.365 4.460 0.003 0.000 0.279 105 C C 2.656 177.669 174.990 0.039 0.000 1.266 105 C CA 1.278 60.316 59.018 0.032 0.000 1.707 105 C CB -0.861 26.879 27.740 0.001 0.000 2.059 105 C HN 0.475 nan 8.230 nan 0.000 0.481 106 T N 1.173 115.747 114.554 0.033 0.000 2.833 106 T HA -0.122 4.230 4.350 0.003 0.000 0.269 106 T C 1.622 176.344 174.700 0.037 0.000 1.054 106 T CA 0.970 63.090 62.100 0.032 0.000 1.135 106 T CB -0.280 68.605 68.868 0.027 0.000 0.869 106 T HN 0.212 nan 8.240 nan 0.000 0.466 107 L N 0.624 121.871 121.223 0.041 0.000 2.201 107 L HA 0.194 4.535 4.340 0.003 0.000 0.212 107 L C 2.028 178.928 176.870 0.049 0.000 1.105 107 L CA 1.209 56.073 54.840 0.040 0.000 0.775 107 L CB -0.905 41.177 42.059 0.038 0.000 0.913 107 L HN 0.284 nan 8.230 nan 0.000 0.440 108 L N -1.196 120.063 121.223 0.059 0.000 2.131 108 L HA -0.145 4.197 4.340 0.003 0.000 0.206 108 L C 2.152 179.066 176.870 0.072 0.000 1.087 108 L CA 0.943 55.828 54.840 0.075 0.000 0.767 108 L CB -0.015 42.096 42.059 0.087 0.000 0.917 108 L HN 0.301 nan 8.230 nan 0.000 0.441 109 E N -0.621 119.617 120.200 0.064 0.000 2.427 109 E HA -0.095 4.256 4.350 0.003 0.000 0.196 109 E C 1.777 178.408 176.600 0.051 0.000 1.028 109 E CA 0.630 57.067 56.400 0.061 0.000 0.864 109 E CB 0.190 29.924 29.700 0.055 0.000 0.813 109 E HN 0.497 nan 8.360 nan 0.000 0.514 110 A N 0.511 123.359 122.820 0.046 0.000 2.115 110 A HA 0.071 4.393 4.320 0.003 0.000 0.211 110 A C 1.950 179.558 177.584 0.040 0.000 1.169 110 A CA 0.179 52.239 52.037 0.038 0.000 0.787 110 A CB 0.172 19.191 19.000 0.032 0.000 0.858 110 A HN -0.025 nan 8.150 nan 0.000 0.474 111 R N -0.898 119.630 120.500 0.047 0.000 2.223 111 R HA 0.167 4.509 4.340 0.003 0.000 0.198 111 R C -0.744 175.590 176.300 0.057 0.000 0.984 111 R CA 0.671 56.800 56.100 0.049 0.000 1.018 111 R CB 0.428 30.761 30.300 0.055 0.000 0.945 111 R HN 0.241 nan 8.270 nan 0.000 0.479 112 V N 1.797 121.750 119.914 0.064 0.000 2.445 112 V HA 0.222 4.344 4.120 0.003 0.000 0.283 112 V C -2.174 173.959 176.094 0.065 0.000 1.014 112 V CA -1.273 61.069 62.300 0.070 0.000 0.852 112 V CB 1.870 33.748 31.823 0.090 0.000 1.021 112 V HN 0.028 nan 8.190 nan 0.000 0.435 113 P HA -0.055 nan 4.420 nan 0.000 0.217 113 P C 1.378 178.709 177.300 0.052 0.000 1.154 113 P CA 0.840 63.969 63.100 0.048 0.000 0.841 113 P CB 0.370 32.093 31.700 0.038 0.000 0.788 114 Q N -0.120 119.713 119.800 0.055 0.000 2.515 114 Q HA -0.079 4.262 4.340 0.003 0.000 0.212 114 Q C 2.014 178.060 176.000 0.075 0.000 0.970 114 Q CA 0.762 56.600 55.803 0.059 0.000 0.941 114 Q CB -0.438 28.334 28.738 0.057 0.000 0.998 114 Q HN 0.246 nan 8.270 nan 0.000 0.518 115 S N 1.156 116.905 115.700 0.081 0.000 2.381 115 S HA -0.261 4.211 4.470 0.003 0.000 0.230 115 S C 1.697 176.359 174.600 0.104 0.000 1.052 115 S CA 1.335 59.593 58.200 0.096 0.000 1.068 115 S CB -0.162 63.096 63.200 0.097 0.000 0.918 115 S HN 0.447 nan 8.310 nan 0.000 0.448 116 R N 0.130 120.686 120.500 0.092 0.000 2.189 116 R HA 0.073 4.415 4.340 0.003 0.000 0.223 116 R C 2.252 178.615 176.300 0.106 0.000 1.092 116 R CA 1.177 57.335 56.100 0.097 0.000 0.989 116 R CB -0.435 29.908 30.300 0.072 0.000 0.876 116 R HN 0.432 nan 8.270 nan 0.000 0.457 117 V N 1.066 121.039 119.914 0.098 0.000 2.407 117 V HA -0.145 3.977 4.120 0.003 0.000 0.245 117 V C 2.193 178.392 176.094 0.175 0.000 1.041 117 V CA 1.388 63.756 62.300 0.113 0.000 1.040 117 V CB -0.270 31.599 31.823 0.077 0.000 0.671 117 V HN 0.203 nan 8.190 nan 0.000 0.455 118 I N 1.349 122.002 120.570 0.137 0.000 2.202 118 I HA -0.192 3.980 4.170 0.003 0.000 0.242 118 I C 2.586 178.766 176.117 0.106 0.000 1.091 118 I CA 2.115 63.489 61.300 0.123 0.000 1.368 118 I CB -0.764 37.302 38.000 0.110 0.000 1.058 118 I HN 0.493 nan 8.210 nan 0.000 0.410 119 T N -2.103 112.522 114.554 0.118 0.000 3.057 119 T HA 0.224 4.576 4.350 0.003 0.000 0.254 119 T C 1.644 176.426 174.700 0.137 0.000 1.094 119 T CA 0.491 62.645 62.100 0.089 0.000 1.088 119 T CB 0.249 69.168 68.868 0.085 0.000 0.934 119 T HN 0.533 nan 8.240 nan 0.000 0.497 120 G N 1.269 110.214 108.800 0.243 0.000 2.179 120 G HA2 -0.248 3.713 3.960 0.003 0.000 0.257 120 G HA3 -0.248 3.713 3.960 0.003 0.000 0.257 120 G C -0.190 174.791 174.900 0.135 0.000 1.010 120 G CA 0.301 45.583 45.100 0.303 0.000 0.736 120 G HN 0.737 nan 8.290 nan 0.000 0.513 121 N N -1.737 117.040 118.700 0.127 0.000 2.571 121 N HA 0.714 5.455 4.740 0.003 0.000 0.273 121 N C -1.026 174.610 175.510 0.210 0.000 1.340 121 N CA -0.907 52.243 53.050 0.168 0.000 0.789 121 N CB 1.416 40.020 38.487 0.195 0.000 1.514 121 N HN 0.144 nan 8.380 nan 0.000 0.499 122 L N 1.535 122.913 121.223 0.257 0.000 2.275 122 L HA 0.513 4.854 4.340 0.003 0.000 0.288 122 L C -0.666 176.331 176.870 0.211 0.000 1.046 122 L CA -0.445 54.501 54.840 0.176 0.000 0.805 122 L CB 0.856 42.979 42.059 0.106 0.000 1.193 122 L HN 0.598 nan 8.230 nan 0.000 0.426 123 M N 6.124 125.811 119.600 0.146 0.000 2.303 123 M HA 0.201 4.683 4.480 0.003 0.000 0.350 123 M C -0.813 175.394 176.300 -0.154 0.000 1.518 123 M CA 1.300 56.658 55.300 0.097 0.000 1.070 123 M CB -0.241 32.412 32.600 0.088 0.000 1.910 123 M HN 0.480 nan 8.290 nan 0.000 0.458 124 M N 7.390 126.653 119.600 -0.561 0.000 2.464 124 M HA 0.340 4.821 4.480 0.003 0.000 0.308 124 M C -1.766 174.223 176.300 -0.518 0.000 1.127 124 M CA -1.739 53.173 55.300 -0.647 0.000 0.913 124 M CB 1.935 33.951 32.600 -0.973 0.000 1.689 124 M HN 0.369 nan 8.290 nan 0.000 0.445 125 P HA -0.105 nan 4.420 nan 0.000 0.222 125 P C 1.181 178.380 177.300 -0.168 0.000 1.142 125 P CA 1.155 64.148 63.100 -0.179 0.000 0.788 125 P CB 0.117 31.732 31.700 -0.143 0.000 0.767 126 G N -1.909 106.756 108.800 -0.225 0.000 2.511 126 G HA2 -0.055 3.907 3.960 0.003 0.000 0.217 126 G HA3 -0.055 3.907 3.960 0.003 0.000 0.217 126 G C 0.439 175.376 174.900 0.062 0.000 1.133 126 G CA -0.235 44.818 45.100 -0.079 0.000 0.792 126 G HN 0.238 nan 8.290 nan 0.000 0.539 127 F N 0.804 120.643 119.950 -0.185 0.000 2.450 127 F HA 0.096 4.625 4.527 0.003 0.000 0.339 127 F C 2.070 177.793 175.800 -0.128 0.000 1.146 127 F CA -0.589 57.304 58.000 -0.177 0.000 1.267 127 F CB 0.968 39.872 39.000 -0.160 0.000 1.178 127 F HN -0.073 nan 8.300 nan 0.000 0.585 128 T N 1.368 115.928 114.554 0.010 0.000 2.701 128 T HA -0.195 4.156 4.350 0.003 0.000 0.263 128 T C 2.132 176.610 174.700 -0.370 0.000 1.040 128 T CA 1.264 63.253 62.100 -0.184 0.000 1.147 128 T CB -0.367 68.312 68.868 -0.315 0.000 0.865 128 T HN 0.712 nan 8.240 nan 0.000 0.426 129 A N 2.690 125.064 122.820 -0.743 0.000 1.903 129 A HA -0.106 4.216 4.320 0.003 0.000 0.219 129 A C 0.532 178.116 177.584 -0.001 0.000 1.191 129 A CA 1.737 53.452 52.037 -0.538 0.000 0.638 129 A CB -1.651 16.991 19.000 -0.596 0.000 0.823 129 A HN 0.456 nan 8.150 nan 0.000 0.451 130 P HA -0.131 nan 4.420 nan 0.000 0.221 130 P C 0.928 178.291 177.300 0.105 0.000 1.150 130 P CA 1.363 64.505 63.100 0.069 0.000 0.800 130 P CB -0.094 31.628 31.700 0.037 0.000 0.787 131 K N -0.610 119.833 120.400 0.072 0.000 2.057 131 K HA -0.073 4.249 4.320 0.003 0.000 0.206 131 K C 2.128 178.869 176.600 0.234 0.000 1.050 131 K CA 0.996 57.328 56.287 0.075 0.000 0.935 131 K CB -0.586 31.914 32.500 0.001 0.000 0.715 131 K HN 0.051 nan 8.250 nan 0.000 0.439 132 L N 0.618 122.018 121.223 0.296 0.000 2.093 132 L HA -0.127 4.215 4.340 0.003 0.000 0.208 132 L C 2.086 179.168 176.870 0.353 0.000 1.085 132 L CA 1.057 56.149 54.840 0.419 0.000 0.755 132 L CB -0.536 41.868 42.059 0.574 0.000 0.904 132 L HN 0.132 nan 8.230 nan 0.000 0.435 133 L N -1.807 119.571 121.223 0.259 0.000 2.191 133 L HA -0.207 4.135 4.340 0.003 0.000 0.212 133 L C 2.136 179.036 176.870 0.050 0.000 1.103 133 L CA 1.460 56.367 54.840 0.111 0.000 0.769 133 L CB -0.725 41.404 42.059 0.116 0.000 0.908 133 L HN 0.441 nan 8.230 nan 0.000 0.438 134 W N -0.983 120.275 121.300 -0.070 0.000 2.408 134 W HA -0.146 4.515 4.660 0.002 0.000 0.311 134 W C 2.294 178.719 176.519 -0.158 0.000 1.190 134 W CA 2.039 59.273 57.345 -0.185 0.000 1.321 134 W CB -0.292 29.036 29.460 -0.220 0.000 1.143 134 W HN -0.114 nan 8.180 nan 0.000 0.501 135 V N 1.269 121.402 119.914 0.365 0.000 2.380 135 V HA -0.402 3.720 4.120 0.003 0.000 0.251 135 V C 2.425 178.506 176.094 -0.021 0.000 1.063 135 V CA 2.484 64.942 62.300 0.263 0.000 1.055 135 V CB -1.207 30.886 31.823 0.450 0.000 0.657 135 V HN 0.441 nan 8.190 nan 0.000 0.455 136 Q N -0.172 119.503 119.800 -0.207 0.000 2.124 136 Q HA -0.239 4.103 4.340 0.003 0.000 0.202 136 Q C 2.400 178.172 176.000 -0.380 0.000 0.977 136 Q CA 1.782 57.177 55.803 -0.680 0.000 0.850 136 Q CB 0.012 28.015 28.738 -1.225 0.000 0.901 136 Q HN 0.612 nan 8.270 nan 0.000 0.429 137 R N -1.151 119.151 120.500 -0.330 0.000 2.055 137 R HA -0.020 4.321 4.340 0.003 0.000 0.226 137 R C 2.212 178.424 176.300 -0.147 0.000 1.135 137 R CA 1.618 57.585 56.100 -0.221 0.000 0.959 137 R CB -0.244 29.940 30.300 -0.193 0.000 0.854 137 R HN 0.507 nan 8.270 nan 0.000 0.431 138 H N -0.328 118.349 119.070 -0.655 0.000 2.431 138 H HA 0.104 4.661 4.556 0.002 0.000 0.295 138 H C 0.244 175.370 175.328 -0.336 0.000 1.038 138 H CA 0.392 56.080 56.048 -0.601 0.000 1.360 138 H CB 0.503 29.613 29.762 -1.085 0.000 1.433 138 H HN 0.179 nan 8.280 nan 0.000 0.536 139 E N 1.632 121.740 120.200 -0.152 0.000 3.659 139 E HA 0.076 4.428 4.350 0.003 0.000 0.217 139 E C -1.889 174.752 176.600 0.068 0.000 1.141 139 E CA -1.461 54.956 56.400 0.028 0.000 1.340 139 E CB 1.039 30.829 29.700 0.150 0.000 1.295 139 E HN 0.388 nan 8.360 nan 0.000 0.434 140 P HA -0.235 nan 4.420 nan 0.000 0.219 140 P C 0.645 178.020 177.300 0.125 0.000 1.146 140 P CA 1.348 64.481 63.100 0.057 0.000 0.808 140 P CB 0.439 32.132 31.700 -0.012 0.000 0.779 141 E N 0.074 120.329 120.200 0.092 0.000 2.072 141 E HA -0.099 4.252 4.350 0.003 0.000 0.190 141 E C 2.180 178.840 176.600 0.101 0.000 0.982 141 E CA 0.813 57.264 56.400 0.085 0.000 0.803 141 E CB -1.292 28.445 29.700 0.062 0.000 0.755 141 E HN 0.171 nan 8.360 nan 0.000 0.453 142 I N 0.243 120.887 120.570 0.123 0.000 2.394 142 I HA -0.127 4.044 4.170 0.003 0.000 0.251 142 I C 1.932 178.122 176.117 0.123 0.000 1.136 142 I CA 0.998 62.367 61.300 0.116 0.000 1.425 142 I CB -0.654 37.431 38.000 0.142 0.000 1.079 142 I HN 0.095 nan 8.210 nan 0.000 0.425 143 F N 1.827 121.795 119.950 0.031 0.000 2.206 143 F HA -0.127 4.401 4.527 0.002 0.000 0.298 143 F C 2.723 178.525 175.800 0.004 0.000 1.090 143 F CA 1.243 59.256 58.000 0.021 0.000 1.323 143 F CB -0.256 38.755 39.000 0.018 0.000 1.028 143 F HN -0.100 nan 8.300 nan 0.000 0.492 144 R N 0.202 120.789 120.500 0.145 0.000 2.159 144 R HA -0.181 4.161 4.340 0.003 0.000 0.237 144 R C 1.792 178.066 176.300 -0.043 0.000 1.131 144 R CA 1.811 57.949 56.100 0.062 0.000 0.982 144 R CB -0.178 30.167 30.300 0.075 0.000 0.868 144 R HN 0.443 nan 8.270 nan 0.000 0.453 145 Q N -0.078 119.688 119.800 -0.056 0.000 2.402 145 Q HA 0.096 4.437 4.340 0.003 0.000 0.206 145 Q C 0.016 175.940 176.000 -0.126 0.000 0.919 145 Q CA -0.207 55.554 55.803 -0.070 0.000 0.923 145 Q CB 0.458 29.180 28.738 -0.027 0.000 1.048 145 Q HN 0.220 nan 8.270 nan 0.000 0.515 146 I N 2.302 122.740 120.570 -0.220 0.000 2.845 146 I HA -0.144 4.028 4.170 0.003 0.000 0.290 146 I C 0.820 176.790 176.117 -0.245 0.000 1.202 146 I CA 0.992 62.138 61.300 -0.258 0.000 1.406 146 I CB -0.119 37.630 38.000 -0.419 0.000 1.383 146 I HN 0.186 nan 8.210 nan 0.000 0.549 147 D N 4.542 124.828 120.400 -0.190 0.000 2.431 147 D HA 0.073 4.715 4.640 0.003 0.000 0.227 147 D C 0.270 176.408 176.300 -0.271 0.000 1.030 147 D CA 0.727 54.612 54.000 -0.191 0.000 0.897 147 D CB 0.655 41.384 40.800 -0.119 0.000 1.058 147 D HN 0.394 nan 8.370 nan 0.000 0.500 148 K N -0.505 119.729 120.400 -0.277 0.000 2.532 148 K HA 0.552 4.874 4.320 0.003 0.000 0.265 148 K C -1.894 174.572 176.600 -0.224 0.000 0.948 148 K CA -0.793 55.276 56.287 -0.364 0.000 0.842 148 K CB 2.716 34.849 32.500 -0.613 0.000 1.392 148 K HN -0.176 nan 8.250 nan 0.000 0.436 149 V N 4.351 124.143 119.914 -0.203 0.000 2.443 149 V HA 0.537 4.659 4.120 0.003 0.000 0.293 149 V C -0.884 175.244 176.094 0.057 0.000 1.021 149 V CA -0.749 61.528 62.300 -0.039 0.000 0.848 149 V CB 1.179 32.986 31.823 -0.026 0.000 0.998 149 V HN 0.550 nan 8.190 nan 0.000 0.424 150 L N 5.023 126.338 121.223 0.153 0.000 2.354 150 L HA 0.622 4.964 4.340 0.003 0.000 0.269 150 L C -0.426 176.600 176.870 0.260 0.000 1.005 150 L CA -0.729 54.244 54.840 0.222 0.000 0.819 150 L CB 2.236 44.466 42.059 0.286 0.000 1.311 150 L HN 0.392 nan 8.230 nan 0.000 0.423 151 L N 2.498 123.856 121.223 0.225 0.000 2.436 151 L HA 0.207 4.549 4.340 0.003 0.000 0.265 151 L C -1.407 175.543 176.870 0.135 0.000 1.168 151 L CA -1.487 53.450 54.840 0.162 0.000 0.815 151 L CB 0.676 42.786 42.059 0.085 0.000 1.109 151 L HN 0.374 nan 8.230 nan 0.000 0.462 152 P HA -0.277 nan 4.420 nan 0.000 0.218 152 P C 1.215 178.343 177.300 -0.287 0.000 1.165 152 P CA 1.787 64.631 63.100 -0.427 0.000 0.922 152 P CB 0.060 31.333 31.700 -0.713 0.000 0.794 153 K N -1.121 119.167 120.400 -0.187 0.000 2.148 153 K HA -0.131 4.190 4.320 0.003 0.000 0.204 153 K C 1.330 177.958 176.600 0.047 0.000 1.050 153 K CA 1.776 58.013 56.287 -0.083 0.000 0.942 153 K CB -0.720 31.726 32.500 -0.090 0.000 0.724 153 K HN 0.044 nan 8.250 nan 0.000 0.446 154 D N 0.320 120.774 120.400 0.090 0.000 2.224 154 D HA -0.149 4.492 4.640 0.003 0.000 0.205 154 D C 1.688 178.115 176.300 0.211 0.000 0.965 154 D CA 0.847 54.934 54.000 0.144 0.000 0.852 154 D CB -0.239 40.663 40.800 0.169 0.000 0.947 154 D HN 0.361 nan 8.370 nan 0.000 0.494 155 Y N 1.139 121.549 120.300 0.183 0.000 2.242 155 Y HA -0.126 4.426 4.550 0.004 0.000 0.291 155 Y C 2.057 178.101 175.900 0.239 0.000 1.137 155 Y CA 0.807 59.062 58.100 0.259 0.000 1.181 155 Y CB -0.253 38.454 38.460 0.412 0.000 0.989 155 Y HN -0.156 nan 8.280 nan 0.000 0.527 156 L N 0.997 122.402 121.223 0.304 0.000 2.042 156 L HA -0.194 4.148 4.340 0.003 0.000 0.210 156 L C 2.753 179.705 176.870 0.137 0.000 1.076 156 L CA 1.814 56.827 54.840 0.287 0.000 0.749 156 L CB -0.849 41.372 42.059 0.269 0.000 0.893 156 L HN 0.231 nan 8.230 nan 0.000 0.432 157 R N -0.799 119.749 120.500 0.080 0.000 2.073 157 R HA -0.193 4.149 4.340 0.003 0.000 0.234 157 R C 2.302 178.558 176.300 -0.073 0.000 1.134 157 R CA 1.821 57.937 56.100 0.027 0.000 0.952 157 R CB -0.543 29.773 30.300 0.026 0.000 0.850 157 R HN 0.333 nan 8.270 nan 0.000 0.433 158 L N 1.559 122.713 121.223 -0.114 0.000 2.043 158 L HA -0.189 4.152 4.340 0.003 0.000 0.212 158 L C 2.180 178.847 176.870 -0.339 0.000 1.075 158 L CA 1.800 56.501 54.840 -0.232 0.000 0.752 158 L CB -0.341 41.607 42.059 -0.186 0.000 0.891 158 L HN 0.103 nan 8.230 nan 0.000 0.432 159 R N -0.927 119.320 120.500 -0.422 0.000 2.189 159 R HA -0.010 4.332 4.340 0.003 0.000 0.218 159 R C 1.992 177.974 176.300 -0.531 0.000 1.074 159 R CA 1.490 57.230 56.100 -0.600 0.000 0.991 159 R CB -0.412 29.381 30.300 -0.846 0.000 0.883 159 R HN 0.499 nan 8.270 nan 0.000 0.457 160 M N -0.647 118.800 119.600 -0.255 0.000 2.486 160 M HA -0.009 4.473 4.480 0.003 0.000 0.264 160 M C 1.423 177.619 176.300 -0.172 0.000 1.125 160 M CA 1.389 56.597 55.300 -0.152 0.000 1.144 160 M CB 0.358 33.001 32.600 0.072 0.000 1.353 160 M HN 0.100 nan 8.290 nan 0.000 0.466 161 T N -5.285 109.164 114.554 -0.176 0.000 3.041 161 T HA 0.355 4.707 4.350 0.003 0.000 0.276 161 T C 1.307 175.888 174.700 -0.199 0.000 0.948 161 T CA 0.543 62.546 62.100 -0.162 0.000 0.885 161 T CB 0.654 69.450 68.868 -0.120 0.000 1.175 161 T HN 0.453 nan 8.240 nan 0.000 0.529 162 G N 1.911 110.556 108.800 -0.259 0.000 2.155 162 G HA2 -0.205 3.756 3.960 0.003 0.000 0.257 162 G HA3 -0.205 3.756 3.960 0.003 0.000 0.257 162 G C -0.282 174.389 174.900 -0.382 0.000 0.983 162 G CA 0.286 45.194 45.100 -0.320 0.000 0.676 162 G HN 0.665 nan 8.290 nan 0.000 0.528 163 E N -0.513 119.509 120.200 -0.298 0.000 2.214 163 E HA 0.565 4.917 4.350 0.003 0.000 0.274 163 E C -0.541 175.948 176.600 -0.184 0.000 0.977 163 E CA -0.888 55.372 56.400 -0.233 0.000 0.827 163 E CB 0.952 30.581 29.700 -0.119 0.000 1.130 163 E HN 0.228 nan 8.360 nan 0.000 0.394 164 F N 1.379 121.337 119.950 0.013 0.000 2.309 164 F HA 0.486 5.014 4.527 0.003 0.000 0.366 164 F C 0.387 176.246 175.800 0.099 0.000 1.104 164 F CA -0.511 57.515 58.000 0.043 0.000 1.179 164 F CB 0.904 39.926 39.000 0.038 0.000 1.437 164 F HN 0.409 nan 8.300 nan 0.000 0.528 165 A N 2.017 125.003 122.820 0.278 0.000 2.569 165 A HA 0.857 5.179 4.320 0.003 0.000 0.290 165 A C -1.028 176.684 177.584 0.214 0.000 1.136 165 A CA -0.623 51.569 52.037 0.257 0.000 0.710 165 A CB 2.219 21.294 19.000 0.124 0.000 1.303 165 A HN 0.414 nan 8.150 nan 0.000 0.413 166 S N -0.887 114.957 115.700 0.241 0.000 2.656 166 S HA 0.598 5.070 4.470 0.003 0.000 0.273 166 S C -2.127 172.553 174.600 0.134 0.000 1.168 166 S CA -0.216 58.083 58.200 0.165 0.000 0.817 166 S CB 1.424 64.746 63.200 0.204 0.000 1.146 166 S HN 1.037 nan 8.310 nan 0.000 0.475 167 D N 1.172 121.599 120.400 0.046 0.000 2.340 167 D HA 0.262 4.903 4.640 0.003 0.000 0.243 167 D C 1.133 177.392 176.300 -0.068 0.000 0.988 167 D CA -0.646 53.356 54.000 0.003 0.000 0.959 167 D CB 0.834 41.617 40.800 -0.027 0.000 1.226 167 D HN 0.407 nan 8.370 nan 0.000 0.509 168 M N 1.077 120.612 119.600 -0.109 0.000 2.159 168 M HA -0.154 4.328 4.480 0.003 0.000 0.263 168 M C 2.241 178.456 176.300 -0.142 0.000 1.063 168 M CA 1.418 56.614 55.300 -0.174 0.000 1.110 168 M CB -1.467 31.008 32.600 -0.209 0.000 1.374 168 M HN 0.645 nan 8.290 nan 0.000 0.411 169 S N -0.463 115.186 115.700 -0.085 0.000 2.402 169 S HA -0.141 4.331 4.470 0.003 0.000 0.229 169 S C 1.708 176.210 174.600 -0.163 0.000 1.021 169 S CA 1.444 59.626 58.200 -0.029 0.000 0.974 169 S CB -0.209 63.045 63.200 0.091 0.000 0.800 169 S HN 0.364 nan 8.310 nan 0.000 0.484 170 D N 1.490 121.793 120.400 -0.162 0.000 2.216 170 D HA 0.294 4.936 4.640 0.003 0.000 0.208 170 D C 2.090 178.278 176.300 -0.187 0.000 0.960 170 D CA 1.056 54.928 54.000 -0.214 0.000 0.861 170 D CB -0.301 40.419 40.800 -0.133 0.000 0.985 170 D HN 0.469 nan 8.370 nan 0.000 0.493 171 A N 0.507 123.252 122.820 -0.125 0.000 2.015 171 A HA 0.088 4.409 4.320 0.003 0.000 0.219 171 A C 2.236 179.747 177.584 -0.122 0.000 1.163 171 A CA 1.669 53.658 52.037 -0.080 0.000 0.646 171 A CB -0.490 18.347 19.000 -0.271 0.000 0.806 171 A HN 0.232 nan 8.150 nan 0.000 0.448 172 A N -0.325 122.383 122.820 -0.187 0.000 1.930 172 A HA 0.159 4.480 4.320 0.003 0.000 0.217 172 A C 2.103 179.577 177.584 -0.184 0.000 1.175 172 A CA 1.484 53.450 52.037 -0.118 0.000 0.627 172 A CB -1.067 17.927 19.000 -0.010 0.000 0.815 172 A HN 0.793 nan 8.150 nan 0.000 0.443 173 G N -0.666 107.840 108.800 -0.491 0.000 3.234 173 G HA2 0.174 4.136 3.960 0.003 0.000 0.221 173 G HA3 0.174 4.136 3.960 0.003 0.000 0.221 173 G C 1.136 175.902 174.900 -0.223 0.000 1.229 173 G CA 1.280 46.062 45.100 -0.530 0.000 0.909 173 G HN 0.642 nan 8.290 nan 0.000 0.510 174 T N -3.882 110.565 114.554 -0.179 0.000 3.034 174 T HA 0.136 4.488 4.350 0.003 0.000 0.248 174 T C 1.462 175.899 174.700 -0.438 0.000 1.040 174 T CA 0.646 62.596 62.100 -0.250 0.000 1.107 174 T CB 0.103 68.976 68.868 0.008 0.000 0.932 174 T HN 0.203 nan 8.240 nan 0.000 0.474 175 M N -1.023 118.441 119.600 -0.226 0.000 3.041 175 M HA -0.090 4.391 4.480 0.003 0.000 0.226 175 M C -0.444 175.844 176.300 -0.020 0.000 0.538 175 M CA 0.324 55.540 55.300 -0.140 0.000 0.850 175 M CB -2.641 29.869 32.600 -0.151 0.000 3.032 175 M HN 0.575 nan 8.290 nan 0.000 0.366 176 W N -0.226 121.205 121.300 0.219 0.000 3.008 176 W HA 0.557 5.219 4.660 0.003 0.000 0.355 176 W C 0.429 177.175 176.519 0.378 0.000 1.095 176 W CA -0.374 57.157 57.345 0.310 0.000 1.738 176 W CB 0.372 30.060 29.460 0.380 0.000 1.091 176 W HN 0.196 nan 8.180 nan 0.000 0.574 177 L N 1.937 123.382 121.223 0.370 0.000 2.295 177 L HA 0.253 4.595 4.340 0.003 0.000 0.285 177 L C 0.201 177.106 176.870 0.058 0.000 1.035 177 L CA 0.021 54.934 54.840 0.121 0.000 0.806 177 L CB 0.929 42.917 42.059 -0.118 0.000 1.214 177 L HN -0.232 nan 8.230 nan 0.000 0.426 178 D N 4.091 124.514 120.400 0.038 0.000 2.416 178 D HA 0.012 4.654 4.640 0.003 0.000 0.240 178 D C 1.127 177.376 176.300 -0.086 0.000 1.250 178 D CA -0.017 53.988 54.000 0.008 0.000 0.967 178 D CB 0.829 41.652 40.800 0.038 0.000 1.059 178 D HN 0.422 nan 8.370 nan 0.000 0.512 179 V N 4.094 123.900 119.914 -0.180 0.000 2.453 179 V HA -0.299 3.822 4.120 0.003 0.000 0.252 179 V C 2.561 178.507 176.094 -0.247 0.000 1.068 179 V CA 2.108 64.239 62.300 -0.282 0.000 1.070 179 V CB -0.909 30.619 31.823 -0.493 0.000 0.664 179 V HN 0.637 nan 8.190 nan 0.000 0.461 180 A N -0.343 122.229 122.820 -0.414 0.000 1.930 180 A HA -0.149 4.173 4.320 0.003 0.000 0.217 180 A C 2.227 179.889 177.584 0.130 0.000 1.175 180 A CA 1.515 53.459 52.037 -0.156 0.000 0.627 180 A CB -0.291 18.716 19.000 0.013 0.000 0.815 180 A HN 0.565 nan 8.150 nan 0.000 0.443 181 K N -1.060 119.375 120.400 0.058 0.000 2.404 181 K HA 0.132 4.453 4.320 0.003 0.000 0.194 181 K C -0.320 176.294 176.600 0.024 0.000 1.023 181 K CA -0.064 56.261 56.287 0.065 0.000 1.094 181 K CB 0.214 32.734 32.500 0.033 0.000 0.841 181 K HN 0.397 nan 8.250 nan 0.000 0.523 182 R N 1.774 122.269 120.500 -0.008 0.000 3.333 182 R HA -0.198 4.144 4.340 0.003 0.000 0.256 182 R C -0.787 175.402 176.300 -0.185 0.000 1.010 182 R CA 0.818 56.845 56.100 -0.122 0.000 0.680 182 R CB -1.785 28.436 30.300 -0.133 0.000 1.102 182 R HN 0.303 nan 8.270 nan 0.000 0.440 183 D N -1.368 118.918 120.400 -0.191 0.000 2.654 183 D HA 0.273 4.915 4.640 0.003 0.000 0.231 183 D C -0.517 175.684 176.300 -0.166 0.000 1.239 183 D CA -0.622 53.243 54.000 -0.225 0.000 0.790 183 D CB 0.585 41.341 40.800 -0.074 0.000 1.480 183 D HN 0.106 nan 8.370 nan 0.000 0.442 184 W N 1.377 122.695 121.300 0.031 0.000 2.160 184 W HA 0.245 4.906 4.660 0.002 0.000 0.352 184 W C 0.922 177.475 176.519 0.056 0.000 1.288 184 W CA -0.219 57.160 57.345 0.057 0.000 1.279 184 W CB 0.391 29.868 29.460 0.029 0.000 1.181 184 W HN 0.206 nan 8.180 nan 0.000 0.593 185 S N 1.657 117.581 115.700 0.373 0.000 2.448 185 S HA 0.126 4.598 4.470 0.003 0.000 0.320 185 S C 0.700 175.424 174.600 0.207 0.000 1.071 185 S CA -0.794 57.547 58.200 0.236 0.000 1.113 185 S CB 0.455 63.784 63.200 0.216 0.000 0.972 185 S HN 0.445 nan 8.310 nan 0.000 0.465 186 D N 3.963 124.447 120.400 0.141 0.000 2.144 186 D HA -0.116 4.526 4.640 0.003 0.000 0.199 186 D C 2.093 178.448 176.300 0.091 0.000 0.984 186 D CA 1.009 55.061 54.000 0.087 0.000 0.834 186 D CB -0.105 40.731 40.800 0.060 0.000 0.955 186 D HN 0.451 nan 8.370 nan 0.000 0.465 187 V N 1.598 121.576 119.914 0.105 0.000 2.252 187 V HA -0.286 3.836 4.120 0.003 0.000 0.249 187 V C 2.539 178.716 176.094 0.139 0.000 1.056 187 V CA 1.437 63.799 62.300 0.105 0.000 1.022 187 V CB -0.360 31.523 31.823 0.101 0.000 0.641 187 V HN 0.208 nan 8.190 nan 0.000 0.445 188 M N -1.120 118.595 119.600 0.192 0.000 2.213 188 M HA -0.107 4.375 4.480 0.003 0.000 0.263 188 M C 2.122 178.629 176.300 0.345 0.000 1.062 188 M CA 1.734 57.203 55.300 0.280 0.000 1.105 188 M CB -1.184 31.629 32.600 0.355 0.000 1.385 188 M HN 0.292 nan 8.290 nan 0.000 0.417 189 L N -0.332 121.019 121.223 0.214 0.000 2.023 189 L HA -0.204 4.137 4.340 0.003 0.000 0.205 189 L C 2.665 179.559 176.870 0.039 0.000 1.073 189 L CA 0.826 55.675 54.840 0.015 0.000 0.745 189 L CB -0.685 41.272 42.059 -0.169 0.000 0.900 189 L HN 0.245 nan 8.230 nan 0.000 0.435 190 Q N 0.171 120.000 119.800 0.048 0.000 2.152 190 Q HA -0.215 4.127 4.340 0.003 0.000 0.206 190 Q C 2.353 178.399 176.000 0.078 0.000 0.985 190 Q CA 1.824 57.655 55.803 0.047 0.000 0.863 190 Q CB -0.822 27.942 28.738 0.043 0.000 0.904 190 Q HN 0.533 nan 8.270 nan 0.000 0.422 191 A N 0.252 123.138 122.820 0.110 0.000 1.908 191 A HA -0.178 4.143 4.320 0.003 0.000 0.218 191 A C 2.244 179.908 177.584 0.133 0.000 1.181 191 A CA 1.566 53.672 52.037 0.116 0.000 0.627 191 A CB -0.751 18.332 19.000 0.137 0.000 0.818 191 A HN 0.497 nan 8.150 nan 0.000 0.445 192 C N -0.696 118.723 119.300 0.198 0.000 2.613 192 C HA 0.255 4.716 4.460 0.003 0.000 0.273 192 C C 0.813 175.935 174.990 0.220 0.000 1.304 192 C CA 0.136 59.300 59.018 0.243 0.000 1.702 192 C CB -1.699 26.309 27.740 0.448 0.000 1.792 192 C HN 0.773 nan 8.230 nan 0.000 0.588 193 D N 0.229 120.717 120.400 0.147 0.000 2.697 193 D HA -0.164 4.478 4.640 0.003 0.000 0.238 193 D C -0.388 176.015 176.300 0.171 0.000 1.152 193 D CA 0.577 54.666 54.000 0.148 0.000 0.666 193 D CB -1.061 39.834 40.800 0.159 0.000 1.037 193 D HN 0.483 nan 8.370 nan 0.000 0.423 194 L N -0.461 120.771 121.223 0.015 0.000 2.257 194 L HA 0.759 5.101 4.340 0.003 0.000 0.257 194 L C 0.265 177.002 176.870 -0.221 0.000 1.033 194 L CA -1.000 53.742 54.840 -0.164 0.000 0.835 194 L CB 2.085 43.926 42.059 -0.364 0.000 1.398 194 L HN 0.084 nan 8.230 nan 0.000 0.429 195 S N -1.370 114.142 115.700 -0.313 0.000 2.588 195 S HA 0.420 4.891 4.470 0.003 0.000 0.275 195 S C 0.509 174.876 174.600 -0.389 0.000 1.130 195 S CA -0.690 57.344 58.200 -0.277 0.000 0.855 195 S CB 1.918 65.004 63.200 -0.189 0.000 1.116 195 S HN 0.606 nan 8.310 nan 0.000 0.472 196 R N 1.114 121.413 120.500 -0.335 0.000 2.117 196 R HA -0.109 4.232 4.340 0.003 0.000 0.243 196 R C 0.759 176.843 176.300 -0.360 0.000 1.143 196 R CA 1.886 57.742 56.100 -0.406 0.000 0.968 196 R CB -0.452 29.720 30.300 -0.213 0.000 0.863 196 R HN 0.624 nan 8.270 nan 0.000 0.444 197 D N 0.785 121.031 120.400 -0.257 0.000 2.263 197 D HA -0.149 4.493 4.640 0.003 0.000 0.208 197 D C 1.412 177.540 176.300 -0.287 0.000 0.971 197 D CA 1.190 55.061 54.000 -0.215 0.000 0.867 197 D CB 0.005 40.711 40.800 -0.156 0.000 0.929 197 D HN 0.426 nan 8.370 nan 0.000 0.492 198 Q N -0.921 118.657 119.800 -0.370 0.000 2.360 198 Q HA 0.100 4.441 4.340 0.003 0.000 0.202 198 Q C 0.293 175.994 176.000 -0.498 0.000 0.915 198 Q CA 0.122 55.676 55.803 -0.415 0.000 0.943 198 Q CB 0.579 29.068 28.738 -0.415 0.000 1.064 198 Q HN 0.112 nan 8.270 nan 0.000 0.511 199 M N 1.284 120.543 119.600 -0.568 0.000 2.478 199 M HA 0.401 4.883 4.480 0.003 0.000 0.327 199 M C -2.254 173.856 176.300 -0.318 0.000 1.187 199 M CA -2.660 52.251 55.300 -0.648 0.000 1.022 199 M CB 0.755 32.543 32.600 -1.353 0.000 1.629 199 M HN -0.141 nan 8.290 nan 0.000 0.461 200 P HA 0.331 nan 4.420 nan 0.000 0.289 200 P C -1.143 176.340 177.300 0.306 0.000 1.299 200 P CA -0.488 62.697 63.100 0.142 0.000 0.766 200 P CB 0.460 32.302 31.700 0.236 0.000 1.226 201 A N 0.358 123.376 122.820 0.330 0.000 2.309 201 A HA 0.510 4.832 4.320 0.003 0.000 0.298 201 A C 0.111 177.884 177.584 0.314 0.000 1.165 201 A CA -0.679 51.542 52.037 0.306 0.000 0.821 201 A CB -0.379 18.795 19.000 0.291 0.000 1.102 201 A HN 0.437 nan 8.150 nan 0.000 0.500 202 L N 2.128 123.418 121.223 0.111 0.000 2.312 202 L HA 0.509 4.850 4.340 0.003 0.000 0.281 202 L C -0.914 175.838 176.870 -0.196 0.000 1.070 202 L CA -0.213 54.618 54.840 -0.016 0.000 0.805 202 L CB 0.572 42.496 42.059 -0.225 0.000 1.174 202 L HN 0.728 nan 8.230 nan 0.000 0.434 203 Y N 0.350 120.619 120.300 -0.052 0.000 2.609 203 Y HA 0.365 4.916 4.550 0.003 0.000 0.342 203 Y C -0.012 175.833 175.900 -0.091 0.000 1.058 203 Y CA -1.116 56.950 58.100 -0.056 0.000 1.055 203 Y CB 1.477 39.919 38.460 -0.030 0.000 1.292 203 Y HN 0.405 nan 8.280 nan 0.000 0.476 204 E N 0.249 120.491 120.200 0.069 0.000 2.366 204 E HA 0.147 4.499 4.350 0.003 0.000 0.266 204 E C 0.953 177.549 176.600 -0.007 0.000 1.051 204 E CA 0.311 56.694 56.400 -0.028 0.000 0.884 204 E CB 1.304 30.969 29.700 -0.058 0.000 1.006 204 E HN 0.973 nan 8.360 nan 0.000 0.417 205 G N 1.739 110.502 108.800 -0.062 0.000 2.499 205 G HA2 -0.280 3.682 3.960 0.003 0.000 0.221 205 G HA3 -0.280 3.682 3.960 0.003 0.000 0.221 205 G C 1.184 176.039 174.900 -0.074 0.000 1.109 205 G CA 1.237 46.294 45.100 -0.070 0.000 0.749 205 G HN 0.471 nan 8.290 nan 0.000 0.568 206 S N -0.617 115.038 115.700 -0.075 0.000 2.605 206 S HA 0.276 4.748 4.470 0.003 0.000 0.217 206 S C 0.362 174.937 174.600 -0.040 0.000 0.958 206 S CA -0.353 57.804 58.200 -0.071 0.000 0.919 206 S CB 0.329 63.477 63.200 -0.086 0.000 0.780 206 S HN 0.484 nan 8.310 nan 0.000 0.507 207 E N 1.140 121.333 120.200 -0.012 0.000 2.231 207 E HA 0.438 4.790 4.350 0.003 0.000 0.277 207 E C -0.585 175.983 176.600 -0.054 0.000 0.999 207 E CA -0.657 55.758 56.400 0.025 0.000 0.827 207 E CB 1.353 31.149 29.700 0.161 0.000 1.101 207 E HN 0.371 nan 8.360 nan 0.000 0.393 208 I N 2.113 122.649 120.570 -0.056 0.000 2.588 208 I HA -0.023 4.149 4.170 0.003 0.000 0.283 208 I C 1.334 177.291 176.117 -0.267 0.000 1.119 208 I CA 0.412 61.642 61.300 -0.117 0.000 1.419 208 I CB 0.722 38.691 38.000 -0.053 0.000 1.394 208 I HN 0.682 nan 8.210 nan 0.000 0.562 209 T N 0.606 114.937 114.554 -0.372 0.000 3.043 209 T HA 0.523 4.874 4.350 0.003 0.000 0.272 209 T C 0.399 174.937 174.700 -0.269 0.000 0.990 209 T CA 0.067 61.810 62.100 -0.594 0.000 0.897 209 T CB 0.647 69.032 68.868 -0.805 0.000 1.111 209 T HN 0.885 nan 8.240 nan 0.000 0.529 210 G N 0.369 109.070 108.800 -0.164 0.000 2.336 210 G HA2 0.612 4.574 3.960 0.003 0.000 0.286 210 G HA3 0.612 4.574 3.960 0.003 0.000 0.286 210 G C -1.957 172.898 174.900 -0.075 0.000 1.269 210 G CA -0.237 44.800 45.100 -0.105 0.000 0.873 210 G HN 0.855 nan 8.290 nan 0.000 0.494 211 A N -1.016 121.763 122.820 -0.067 0.000 2.587 211 A HA 0.768 5.090 4.320 0.003 0.000 0.293 211 A C -0.586 176.963 177.584 -0.058 0.000 1.087 211 A CA -0.675 51.334 52.037 -0.048 0.000 0.692 211 A CB 1.059 20.035 19.000 -0.039 0.000 1.291 211 A HN 1.172 nan 8.150 nan 0.000 0.407 212 L N 1.968 123.166 121.223 -0.042 0.000 2.534 212 L HA 0.069 4.411 4.340 0.003 0.000 0.271 212 L C -0.012 176.794 176.870 -0.106 0.000 1.178 212 L CA 0.058 54.854 54.840 -0.075 0.000 0.907 212 L CB -0.098 41.932 42.059 -0.048 0.000 1.164 212 L HN 0.562 nan 8.230 nan 0.000 0.482 213 L N 6.364 127.498 121.223 -0.147 0.000 2.525 213 L HA -0.032 4.310 4.340 0.003 0.000 0.278 213 L C -1.028 175.758 176.870 -0.140 0.000 1.218 213 L CA -1.172 53.580 54.840 -0.146 0.000 0.878 213 L CB 0.224 42.176 42.059 -0.179 0.000 1.127 213 L HN 0.450 nan 8.230 nan 0.000 0.492 214 P HA -0.264 nan 4.420 nan 0.000 0.222 214 P C 0.995 178.237 177.300 -0.097 0.000 1.159 214 P CA 1.455 64.504 63.100 -0.085 0.000 0.920 214 P CB 0.158 31.817 31.700 -0.068 0.000 0.793 215 E N -1.049 119.084 120.200 -0.112 0.000 2.274 215 E HA -0.064 4.288 4.350 0.003 0.000 0.194 215 E C 2.076 178.576 176.600 -0.166 0.000 0.996 215 E CA 0.688 57.022 56.400 -0.110 0.000 0.840 215 E CB -0.792 28.849 29.700 -0.098 0.000 0.772 215 E HN 0.174 nan 8.360 nan 0.000 0.491 216 V N 1.496 121.261 119.914 -0.248 0.000 2.302 216 V HA -0.155 3.967 4.120 0.003 0.000 0.243 216 V C 2.438 178.273 176.094 -0.430 0.000 1.036 216 V CA 1.590 63.612 62.300 -0.464 0.000 1.020 216 V CB -0.810 30.696 31.823 -0.529 0.000 0.657 216 V HN 0.231 nan 8.190 nan 0.000 0.453 217 A N -0.333 122.352 122.820 -0.225 0.000 1.917 217 A HA -0.295 4.027 4.320 0.003 0.000 0.219 217 A C 2.336 179.910 177.584 -0.016 0.000 1.182 217 A CA 2.263 54.258 52.037 -0.070 0.000 0.633 217 A CB -0.526 18.450 19.000 -0.040 0.000 0.819 217 A HN 0.421 nan 8.150 nan 0.000 0.448 218 K N -0.290 120.079 120.400 -0.050 0.000 1.973 218 K HA -0.117 4.204 4.320 0.003 0.000 0.212 218 K C 2.284 178.902 176.600 0.029 0.000 1.047 218 K CA 1.507 57.788 56.287 -0.011 0.000 0.937 218 K CB -0.596 31.887 32.500 -0.027 0.000 0.721 218 K HN 0.358 nan 8.250 nan 0.000 0.440 219 A N 0.406 123.227 122.820 0.002 0.000 1.948 219 A HA -0.176 4.145 4.320 0.003 0.000 0.220 219 A C 1.610 179.351 177.584 0.261 0.000 1.177 219 A CA 1.532 53.623 52.037 0.089 0.000 0.636 219 A CB -0.810 18.226 19.000 0.061 0.000 0.815 219 A HN 0.516 nan 8.150 nan 0.000 0.449 220 W N -0.976 120.345 121.300 0.035 0.000 3.256 220 W HA 0.384 5.046 4.660 0.003 0.000 0.269 220 W C 1.566 178.091 176.519 0.009 0.000 1.310 220 W CA -0.047 57.309 57.345 0.019 0.000 1.673 220 W CB -1.184 28.291 29.460 0.024 0.000 1.115 220 W HN 0.616 nan 8.180 nan 0.000 0.686 221 G N 1.445 110.369 108.800 0.207 0.000 2.179 221 G HA2 -0.294 3.668 3.960 0.003 0.000 0.257 221 G HA3 -0.294 3.668 3.960 0.003 0.000 0.257 221 G C 0.232 175.193 174.900 0.101 0.000 1.010 221 G CA 0.732 45.902 45.100 0.116 0.000 0.736 221 G HN 0.284 nan 8.290 nan 0.000 0.513 222 M N -1.764 117.912 119.600 0.126 0.000 2.727 222 M HA 0.892 5.373 4.480 0.003 0.000 0.300 222 M C 0.463 176.798 176.300 0.058 0.000 1.246 222 M CA -0.638 54.718 55.300 0.093 0.000 0.835 222 M CB 1.526 34.206 32.600 0.132 0.000 1.755 222 M HN 0.742 nan 8.290 nan 0.000 0.473 223 A N 0.485 123.327 122.820 0.036 0.000 2.292 223 A HA 0.460 4.782 4.320 0.003 0.000 0.265 223 A C 0.595 178.187 177.584 0.014 0.000 1.133 223 A CA 0.042 52.089 52.037 0.016 0.000 0.807 223 A CB -0.253 18.750 19.000 0.005 0.000 1.102 223 A HN 0.891 nan 8.150 nan 0.000 0.502 224 T N -0.479 114.072 114.554 -0.004 0.000 4.309 224 T HA 0.385 4.737 4.350 0.003 0.000 0.242 224 T C 0.074 174.770 174.700 -0.006 0.000 1.142 224 T CA -0.478 61.613 62.100 -0.015 0.000 1.042 224 T CB -1.225 67.625 68.868 -0.030 0.000 1.366 224 T HN 0.384 nan 8.240 nan 0.000 0.942 225 V N 3.507 123.428 119.914 0.013 0.000 2.999 225 V HA 0.177 4.298 4.120 0.003 0.000 0.307 225 V C -1.766 174.337 176.094 0.015 0.000 1.084 225 V CA -1.493 60.818 62.300 0.019 0.000 1.155 225 V CB 0.583 32.429 31.823 0.038 0.000 0.975 225 V HN 0.539 nan 8.190 nan 0.000 0.490 226 P HA 0.238 nan 4.420 nan 0.000 0.272 226 P C -1.160 176.143 177.300 0.005 0.000 1.223 226 P CA -0.064 63.036 63.100 -0.001 0.000 0.784 226 P CB 0.554 32.256 31.700 0.002 0.000 0.923 227 V N 2.974 122.874 119.914 -0.023 0.000 2.483 227 V HA 0.282 4.404 4.120 0.003 0.000 0.297 227 V C 0.522 176.575 176.094 -0.068 0.000 1.027 227 V CA -0.807 61.480 62.300 -0.022 0.000 0.855 227 V CB 1.674 33.488 31.823 -0.015 0.000 0.995 227 V HN 0.426 nan 8.190 nan 0.000 0.424 228 V N 2.696 122.577 119.914 -0.055 0.000 3.214 228 V HA 0.738 4.860 4.120 0.003 0.000 0.306 228 V C 1.507 177.537 176.094 -0.106 0.000 1.078 228 V CA 0.600 62.847 62.300 -0.087 0.000 1.077 228 V CB 1.011 32.796 31.823 -0.063 0.000 1.121 228 V HN 0.919 nan 8.190 nan 0.000 0.468 229 A N 1.109 123.857 122.820 -0.121 0.000 1.902 229 A HA 0.395 4.716 4.320 0.003 0.000 0.217 229 A C 1.863 179.412 177.584 -0.060 0.000 1.181 229 A CA 2.076 54.056 52.037 -0.095 0.000 0.623 229 A CB -1.294 17.685 19.000 -0.035 0.000 0.818 229 A HN 2.799 nan 8.150 nan 0.000 0.443 230 G N -2.380 106.381 108.800 -0.066 0.000 2.498 230 G HA2 0.393 4.355 3.960 0.003 0.000 0.245 230 G HA3 0.393 4.355 3.960 0.003 0.000 0.245 230 G C 0.459 175.312 174.900 -0.078 0.000 1.204 230 G CA -0.071 44.986 45.100 -0.071 0.000 0.933 230 G HN 2.186 nan 8.290 nan 0.000 0.574 231 G N -1.845 106.906 108.800 -0.083 0.000 2.506 231 G HA2 0.776 4.738 3.960 0.003 0.000 0.292 231 G HA3 0.776 4.738 3.960 0.003 0.000 0.292 231 G C 0.129 174.966 174.900 -0.105 0.000 1.425 231 G CA 0.664 45.713 45.100 -0.085 0.000 0.788 231 G HN 2.037 nan 8.290 nan 0.000 0.490 232 G N -0.751 107.978 108.800 -0.117 0.000 2.594 232 G HA2 0.397 4.358 3.960 0.003 0.000 0.243 232 G HA3 0.397 4.358 3.960 0.003 0.000 0.243 232 G C 0.961 175.773 174.900 -0.147 0.000 1.229 232 G CA 0.791 45.792 45.100 -0.165 0.000 0.843 232 G HN 0.804 nan 8.290 nan 0.000 0.578 233 D N 0.789 121.086 120.400 -0.171 0.000 2.149 233 D HA -0.226 4.416 4.640 0.003 0.000 0.194 233 D C 1.672 177.880 176.300 -0.153 0.000 1.001 233 D CA 1.621 55.526 54.000 -0.158 0.000 0.849 233 D CB -0.165 40.532 40.800 -0.172 0.000 0.939 233 D HN 0.321 nan 8.370 nan 0.000 0.449 234 N N 1.001 119.629 118.700 -0.121 0.000 2.022 234 N HA -0.101 4.641 4.740 0.003 0.000 0.194 234 N C 2.064 177.382 175.510 -0.319 0.000 1.057 234 N CA 1.954 54.930 53.050 -0.124 0.000 0.849 234 N CB -0.865 37.696 38.487 0.124 0.000 1.044 234 N HN 0.352 nan 8.380 nan 0.000 0.424 235 A N 1.285 124.017 122.820 -0.148 0.000 1.927 235 A HA -0.141 4.181 4.320 0.003 0.000 0.220 235 A C 2.406 179.889 177.584 -0.168 0.000 1.185 235 A CA 2.515 54.472 52.037 -0.134 0.000 0.639 235 A CB -1.023 18.076 19.000 0.165 0.000 0.820 235 A HN 0.402 nan 8.150 nan 0.000 0.451 236 A N -0.640 122.087 122.820 -0.155 0.000 1.865 236 A HA 0.095 4.417 4.320 0.003 0.000 0.217 236 A C 2.538 180.009 177.584 -0.188 0.000 1.191 236 A CA 2.146 54.091 52.037 -0.154 0.000 0.623 236 A CB -1.620 17.300 19.000 -0.133 0.000 0.826 236 A HN 0.909 nan 8.150 nan 0.000 0.444 237 G N -0.501 108.169 108.800 -0.217 0.000 2.469 237 G HA2 -0.094 3.868 3.960 0.003 0.000 0.219 237 G HA3 -0.094 3.868 3.960 0.003 0.000 0.219 237 G C 1.743 176.479 174.900 -0.274 0.000 1.150 237 G CA 1.802 46.771 45.100 -0.218 0.000 0.763 237 G HN 0.902 nan 8.290 nan 0.000 0.561 238 A N -0.040 122.504 122.820 -0.459 0.000 1.902 238 A HA 0.082 4.404 4.320 0.003 0.000 0.217 238 A C 2.615 180.079 177.584 -0.201 0.000 1.181 238 A CA 1.842 53.579 52.037 -0.500 0.000 0.623 238 A CB -0.591 17.707 19.000 -1.170 0.000 0.818 238 A HN 0.287 nan 8.150 nan 0.000 0.443 239 V N -0.020 119.807 119.914 -0.145 0.000 2.343 239 V HA -0.193 3.929 4.120 0.003 0.000 0.247 239 V C 2.817 178.845 176.094 -0.109 0.000 1.051 239 V CA 1.915 64.149 62.300 -0.110 0.000 1.036 239 V CB -1.468 30.261 31.823 -0.157 0.000 0.654 239 V HN 0.617 nan 8.190 nan 0.000 0.451 240 G N -0.236 108.490 108.800 -0.123 0.000 2.440 240 G HA2 -0.216 3.745 3.960 0.003 0.000 0.218 240 G HA3 -0.216 3.745 3.960 0.003 0.000 0.218 240 G C 1.586 176.433 174.900 -0.087 0.000 1.154 240 G CA 1.271 46.309 45.100 -0.104 0.000 0.767 240 G HN 0.421 nan 8.290 nan 0.000 0.552 241 V N 0.639 120.498 119.914 -0.091 0.000 3.041 241 V HA 0.283 4.405 4.120 0.003 0.000 0.260 241 V C 2.148 178.213 176.094 -0.048 0.000 1.105 241 V CA 1.391 63.650 62.300 -0.068 0.000 1.125 241 V CB -0.375 31.406 31.823 -0.070 0.000 0.730 241 V HN 0.909 nan 8.190 nan 0.000 0.479 242 G N -0.425 108.347 108.800 -0.047 0.000 2.148 242 G HA2 -0.244 3.717 3.960 0.003 0.000 0.203 242 G HA3 -0.244 3.717 3.960 0.003 0.000 0.203 242 G C 0.020 174.929 174.900 0.015 0.000 0.993 242 G CA 0.043 45.130 45.100 -0.022 0.000 0.661 242 G HN 0.332 nan 8.290 nan 0.000 0.518 243 M N 1.427 121.043 119.600 0.027 0.000 2.618 243 M HA 0.545 5.027 4.480 0.003 0.000 0.322 243 M C 1.247 177.676 176.300 0.214 0.000 1.471 243 M CA 0.397 55.757 55.300 0.100 0.000 1.450 243 M CB 1.163 33.819 32.600 0.093 0.000 1.444 243 M HN 0.427 nan 8.290 nan 0.000 0.471 244 V N 2.130 122.139 119.914 0.158 0.000 3.473 244 V HA 0.285 4.406 4.120 0.003 0.000 0.253 244 V C -0.172 176.023 176.094 0.168 0.000 1.340 244 V CA 0.674 63.080 62.300 0.178 0.000 1.103 244 V CB 0.583 32.443 31.823 0.062 0.000 0.881 244 V HN 0.636 nan 8.190 nan 0.000 0.451 245 D N 1.030 121.501 120.400 0.118 0.000 2.340 245 D HA 0.687 5.329 4.640 0.003 0.000 0.243 245 D C 0.149 176.506 176.300 0.095 0.000 0.988 245 D CA 0.499 54.560 54.000 0.103 0.000 0.959 245 D CB 1.732 42.573 40.800 0.067 0.000 1.226 245 D HN 0.437 nan 8.370 nan 0.000 0.509 246 A N 1.514 124.388 122.820 0.090 0.000 2.587 246 A HA 0.074 4.396 4.320 0.003 0.000 0.235 246 A C 0.480 178.088 177.584 0.039 0.000 1.044 246 A CA 0.191 52.270 52.037 0.069 0.000 0.754 246 A CB -0.257 18.780 19.000 0.062 0.000 0.968 246 A HN 0.697 nan 8.150 nan 0.000 0.509 247 N N -0.040 118.673 118.700 0.020 0.000 2.754 247 N HA -0.153 4.589 4.740 0.003 0.000 0.248 247 N C -0.428 175.088 175.510 0.010 0.000 1.093 247 N CA 1.584 54.634 53.050 -0.000 0.000 0.699 247 N CB -1.152 37.328 38.487 -0.011 0.000 1.016 247 N HN 0.862 nan 8.380 nan 0.000 0.552 248 Q N -0.269 119.546 119.800 0.026 0.000 2.331 248 Q HA 0.771 5.112 4.340 0.003 0.000 0.267 248 Q C -0.657 175.368 176.000 0.043 0.000 1.006 248 Q CA -0.414 55.415 55.803 0.043 0.000 0.818 248 Q CB 1.909 30.686 28.738 0.064 0.000 1.276 248 Q HN 0.386 nan 8.270 nan 0.000 0.450 249 A N 3.387 126.239 122.820 0.053 0.000 2.539 249 A HA 0.842 5.164 4.320 0.003 0.000 0.296 249 A C -1.284 176.365 177.584 0.109 0.000 1.073 249 A CA -0.751 51.302 52.037 0.027 0.000 0.700 249 A CB 1.867 20.830 19.000 -0.060 0.000 1.296 249 A HN 0.727 nan 8.150 nan 0.000 0.405 250 M N 2.207 121.874 119.600 0.112 0.000 2.446 250 M HA 0.770 5.252 4.480 0.003 0.000 0.294 250 M C -2.467 174.007 176.300 0.290 0.000 1.158 250 M CA -0.756 54.652 55.300 0.179 0.000 0.899 250 M CB 1.759 34.419 32.600 0.100 0.000 1.687 250 M HN 0.789 nan 8.290 nan 0.000 0.455 251 L N 3.246 124.652 121.223 0.305 0.000 2.298 251 L HA 0.544 4.886 4.340 0.003 0.000 0.284 251 L C -0.818 176.164 176.870 0.188 0.000 1.013 251 L CA 0.264 55.290 54.840 0.311 0.000 0.824 251 L CB 1.664 43.847 42.059 0.205 0.000 1.221 251 L HN 0.883 nan 8.230 nan 0.000 0.418 252 S N 6.033 121.836 115.700 0.172 0.000 2.422 252 S HA 0.456 4.927 4.470 0.003 0.000 0.298 252 S C 0.134 174.813 174.600 0.132 0.000 1.118 252 S CA -0.606 57.671 58.200 0.128 0.000 1.083 252 S CB 0.157 63.413 63.200 0.094 0.000 0.971 252 S HN 0.691 nan 8.310 nan 0.000 0.478 253 L N 5.471 126.778 121.223 0.139 0.000 3.064 253 L HA 0.387 4.729 4.340 0.003 0.000 0.233 253 L C 1.252 178.200 176.870 0.130 0.000 1.333 253 L CA -0.637 54.295 54.840 0.154 0.000 1.140 253 L CB -0.557 41.627 42.059 0.209 0.000 1.519 253 L HN 0.789 nan 8.230 nan 0.000 0.493 254 G N -0.430 108.433 108.800 0.105 0.000 2.641 254 G HA2 0.200 4.162 3.960 0.003 0.000 0.239 254 G HA3 0.200 4.162 3.960 0.003 0.000 0.239 254 G C 0.920 175.868 174.900 0.080 0.000 1.402 254 G CA 0.142 45.293 45.100 0.085 0.000 1.046 254 G HN 0.209 nan 8.290 nan 0.000 0.565 255 T N -0.026 114.569 114.554 0.069 0.000 2.929 255 T HA 0.037 4.388 4.350 0.003 0.000 0.271 255 T C 0.996 175.745 174.700 0.080 0.000 1.085 255 T CA 1.081 63.224 62.100 0.072 0.000 1.125 255 T CB -0.017 68.891 68.868 0.066 0.000 0.874 255 T HN 0.185 nan 8.240 nan 0.000 0.494 256 S N 1.165 116.910 115.700 0.074 0.000 2.594 256 S HA 0.563 5.034 4.470 0.003 0.000 0.322 256 S C 0.358 175.011 174.600 0.087 0.000 1.085 256 S CA -0.986 57.260 58.200 0.077 0.000 1.116 256 S CB 1.342 64.569 63.200 0.044 0.000 0.979 256 S HN 0.494 nan 8.310 nan 0.000 0.465 257 G N 2.049 110.912 108.800 0.105 0.000 2.355 257 G HA2 0.543 4.505 3.960 0.003 0.000 0.276 257 G HA3 0.543 4.505 3.960 0.003 0.000 0.276 257 G C -0.770 174.213 174.900 0.139 0.000 1.198 257 G CA -0.203 44.969 45.100 0.120 0.000 0.876 257 G HN 0.577 nan 8.290 nan 0.000 0.478 258 V N 2.744 122.755 119.914 0.162 0.000 2.932 258 V HA 0.358 4.480 4.120 0.003 0.000 0.307 258 V C -1.573 174.693 176.094 0.287 0.000 1.147 258 V CA -0.926 61.499 62.300 0.208 0.000 0.951 258 V CB 2.238 34.172 31.823 0.185 0.000 1.031 258 V HN 0.726 nan 8.190 nan 0.000 0.426 259 Y N 4.768 125.155 120.300 0.145 0.000 2.328 259 Y HA 0.705 5.257 4.550 0.003 0.000 0.333 259 Y C -1.307 174.718 175.900 0.210 0.000 0.958 259 Y CA -1.849 56.334 58.100 0.138 0.000 1.167 259 Y CB 1.484 39.984 38.460 0.066 0.000 1.151 259 Y HN 0.564 nan 8.280 nan 0.000 0.470 260 F N 4.933 124.732 119.950 -0.252 0.000 2.507 260 F HA 0.832 5.361 4.527 0.002 0.000 0.325 260 F C -1.100 174.477 175.800 -0.372 0.000 1.116 260 F CA -0.618 57.246 58.000 -0.227 0.000 0.930 260 F CB 1.347 40.267 39.000 -0.132 0.000 1.146 260 F HN 0.625 nan 8.300 nan 0.000 0.447 261 A N 5.162 127.659 122.820 -0.538 0.000 2.408 261 A HA 0.623 4.944 4.320 0.003 0.000 0.295 261 A C -1.690 175.712 177.584 -0.303 0.000 1.040 261 A CA -0.692 51.146 52.037 -0.332 0.000 0.707 261 A CB 1.118 19.923 19.000 -0.324 0.000 1.235 261 A HN 0.525 nan 8.150 nan 0.000 0.418 262 V N 3.509 123.355 119.914 -0.114 0.000 2.415 262 V HA 0.292 4.414 4.120 0.003 0.000 0.267 262 V C 1.059 177.158 176.094 0.009 0.000 1.042 262 V CA 0.385 62.666 62.300 -0.033 0.000 1.000 262 V CB 0.140 32.010 31.823 0.079 0.000 1.015 262 V HN 1.016 nan 8.190 nan 0.000 0.478 263 S N 3.506 119.227 115.700 0.035 0.000 2.655 263 S HA 0.394 4.866 4.470 0.003 0.000 0.265 263 S C 0.015 174.664 174.600 0.081 0.000 1.240 263 S CA -0.677 57.545 58.200 0.036 0.000 0.986 263 S CB 1.246 64.456 63.200 0.017 0.000 0.985 263 S HN 0.739 nan 8.310 nan 0.000 0.562 264 E N 0.453 120.671 120.200 0.031 0.000 1.998 264 E HA 0.509 4.860 4.350 0.003 0.000 0.257 264 E C 0.577 177.173 176.600 -0.007 0.000 1.038 264 E CA 0.561 56.982 56.400 0.035 0.000 0.869 264 E CB -0.345 29.356 29.700 0.002 0.000 1.135 264 E HN 1.159 nan 8.360 nan 0.000 0.430 265 G N 3.122 111.947 108.800 0.041 0.000 2.698 265 G HA2 -0.257 3.705 3.960 0.003 0.000 0.225 265 G HA3 -0.257 3.705 3.960 0.003 0.000 0.225 265 G C -0.954 173.730 174.900 -0.360 0.000 1.345 265 G CA -0.444 44.542 45.100 -0.190 0.000 0.871 265 G HN 0.508 nan 8.290 nan 0.000 0.540 266 F N 1.477 120.855 119.950 -0.953 0.000 2.413 266 F HA 0.695 5.223 4.527 0.003 0.000 0.359 266 F C 0.383 175.937 175.800 -0.411 0.000 1.122 266 F CA -1.558 55.912 58.000 -0.884 0.000 1.160 266 F CB 0.073 38.413 39.000 -1.100 0.000 1.146 266 F HN 0.453 nan 8.300 nan 0.000 0.514 267 L N 5.729 126.650 121.223 -0.503 0.000 2.282 267 L HA 0.347 4.689 4.340 0.003 0.000 0.288 267 L C 0.187 176.647 176.870 -0.684 0.000 1.033 267 L CA -0.711 53.809 54.840 -0.533 0.000 0.807 267 L CB 1.497 43.403 42.059 -0.256 0.000 1.209 267 L HN 0.605 nan 8.230 nan 0.000 0.423 268 S N 2.810 118.082 115.700 -0.714 0.000 2.532 268 S HA 0.369 4.840 4.470 0.003 0.000 0.318 268 S C -0.161 174.289 174.600 -0.251 0.000 1.083 268 S CA -0.561 57.336 58.200 -0.505 0.000 1.131 268 S CB 0.303 63.164 63.200 -0.564 0.000 0.973 268 S HN 0.500 nan 8.310 nan 0.000 0.468 269 K N 5.885 126.185 120.400 -0.167 0.000 3.237 269 K HA 0.386 4.707 4.320 0.003 0.000 0.197 269 K C -1.728 174.828 176.600 -0.073 0.000 1.133 269 K CA -2.147 54.072 56.287 -0.112 0.000 0.944 269 K CB 0.807 33.244 32.500 -0.106 0.000 0.952 269 K HN 0.352 nan 8.250 nan 0.000 0.515 270 P HA -0.230 nan 4.420 nan 0.000 0.214 270 P C 0.427 177.726 177.300 -0.002 0.000 1.169 270 P CA 1.457 64.557 63.100 0.001 0.000 0.908 270 P CB 0.462 32.176 31.700 0.023 0.000 0.791 271 E N -0.045 120.148 120.200 -0.013 0.000 2.393 271 E HA -0.051 4.301 4.350 0.003 0.000 0.201 271 E C 1.029 177.614 176.600 -0.025 0.000 1.025 271 E CA 0.583 56.975 56.400 -0.013 0.000 0.856 271 E CB -0.581 29.109 29.700 -0.017 0.000 0.771 271 E HN 0.335 nan 8.360 nan 0.000 0.526 272 S N -0.986 114.689 115.700 -0.041 0.000 2.666 272 S HA 0.534 5.006 4.470 0.003 0.000 0.279 272 S C 0.849 175.399 174.600 -0.083 0.000 1.149 272 S CA -0.204 57.962 58.200 -0.058 0.000 1.020 272 S CB 1.320 64.479 63.200 -0.069 0.000 1.127 272 S HN 0.192 nan 8.310 nan 0.000 0.537 273 A N 0.343 123.095 122.820 -0.113 0.000 2.460 273 A HA 0.485 4.807 4.320 0.003 0.000 0.258 273 A C -0.001 177.389 177.584 -0.323 0.000 1.300 273 A CA -0.280 51.646 52.037 -0.185 0.000 0.913 273 A CB -0.234 18.703 19.000 -0.105 0.000 1.031 273 A HN 0.413 nan 8.150 nan 0.000 0.512 274 V N 0.874 120.642 119.914 -0.243 0.000 2.465 274 V HA 0.233 4.355 4.120 0.003 0.000 0.279 274 V C -0.214 175.720 176.094 -0.267 0.000 1.045 274 V CA -0.370 61.797 62.300 -0.222 0.000 0.938 274 V CB 0.604 32.354 31.823 -0.122 0.000 0.986 274 V HN 0.595 nan 8.190 nan 0.000 0.467 275 H N 1.644 120.635 119.070 -0.131 0.000 2.472 275 H HA 0.543 5.101 4.556 0.002 0.000 0.338 275 H C -0.205 174.813 175.328 -0.516 0.000 1.133 275 H CA -0.270 55.570 56.048 -0.346 0.000 1.216 275 H CB 1.664 31.227 29.762 -0.331 0.000 1.497 275 H HN 0.629 nan 8.280 nan 0.000 0.500 276 S N 3.646 119.039 115.700 -0.511 0.000 2.498 276 S HA 0.525 4.997 4.470 0.003 0.000 0.317 276 S C -1.357 172.914 174.600 -0.549 0.000 1.090 276 S CA -0.523 57.456 58.200 -0.370 0.000 1.089 276 S CB 0.034 63.248 63.200 0.024 0.000 0.997 276 S HN 0.480 nan 8.310 nan 0.000 0.470 277 F N 1.382 121.173 119.950 -0.264 0.000 2.629 277 F HA 0.470 4.999 4.527 0.002 0.000 0.316 277 F C 0.153 175.879 175.800 -0.124 0.000 1.081 277 F CA -1.258 56.611 58.000 -0.219 0.000 0.954 277 F CB 1.271 40.138 39.000 -0.223 0.000 1.337 277 F HN 0.368 nan 8.300 nan 0.000 0.474 278 C N 1.718 121.117 119.300 0.165 0.000 2.662 278 C HA 0.152 4.614 4.460 0.003 0.000 0.420 278 C C 0.798 175.908 174.990 0.200 0.000 1.314 278 C CA -0.089 58.887 59.018 -0.070 0.000 1.963 278 C CB -0.963 26.642 27.740 -0.226 0.000 2.686 278 C HN 0.582 nan 8.230 nan 0.000 0.609 279 H N 1.208 120.313 119.070 0.057 0.000 2.703 279 H HA 0.297 4.855 4.556 0.003 0.000 0.377 279 H C 0.696 176.021 175.328 -0.006 0.000 1.392 279 H CA 0.252 56.399 56.048 0.165 0.000 1.458 279 H CB 0.722 30.556 29.762 0.120 0.000 1.529 279 H HN 0.686 nan 8.280 nan 0.000 0.619 280 A N 3.193 126.018 122.820 0.009 0.000 2.411 280 A HA 0.286 4.608 4.320 0.003 0.000 0.251 280 A C 0.006 177.403 177.584 -0.313 0.000 1.317 280 A CA -0.088 51.846 52.037 -0.171 0.000 0.904 280 A CB -0.596 18.319 19.000 -0.143 0.000 0.993 280 A HN 0.390 nan 8.150 nan 0.000 0.504 281 L N -0.660 120.343 121.223 -0.368 0.000 2.354 281 L HA 0.427 4.769 4.340 0.003 0.000 0.264 281 L C -2.743 174.005 176.870 -0.204 0.000 1.008 281 L CA -2.698 51.968 54.840 -0.291 0.000 0.819 281 L CB 2.492 44.340 42.059 -0.352 0.000 1.339 281 L HN -0.106 nan 8.230 nan 0.000 0.420 282 P HA 0.045 nan 4.420 nan 0.000 0.267 282 P C -0.630 176.586 177.300 -0.139 0.000 1.209 282 P CA 0.276 63.291 63.100 -0.142 0.000 0.763 282 P CB 0.448 32.096 31.700 -0.088 0.000 0.816 283 Q N 0.099 119.766 119.800 -0.223 0.000 2.503 283 Q HA -0.190 4.151 4.340 0.003 0.000 0.267 283 Q C -0.394 175.531 176.000 -0.125 0.000 1.030 283 Q CA 1.205 56.908 55.803 -0.167 0.000 1.041 283 Q CB -1.213 27.535 28.738 0.017 0.000 1.406 283 Q HN 0.575 nan 8.270 nan 0.000 0.524 284 R N -0.653 119.672 120.500 -0.292 0.000 2.599 284 R HA 0.553 4.895 4.340 0.003 0.000 0.295 284 R C 0.101 176.331 176.300 -0.116 0.000 0.963 284 R CA -0.200 55.906 56.100 0.009 0.000 0.883 284 R CB 1.340 31.738 30.300 0.163 0.000 1.171 284 R HN 0.084 nan 8.270 nan 0.000 0.450 285 W N 2.031 123.438 121.300 0.179 0.000 3.164 285 W HA 0.407 5.069 4.660 0.003 0.000 0.325 285 W C 0.612 177.195 176.519 0.106 0.000 1.228 285 W CA -0.265 57.170 57.345 0.151 0.000 1.024 285 W CB 1.344 30.870 29.460 0.109 0.000 1.534 285 W HN 0.593 nan 8.180 nan 0.000 0.614 286 H N -1.062 118.097 119.070 0.149 0.000 2.967 286 H HA 0.533 5.091 4.556 0.003 0.000 0.318 286 H C -2.242 172.964 175.328 -0.203 0.000 1.375 286 H CA -0.809 55.112 56.048 -0.211 0.000 1.132 286 H CB 1.188 30.509 29.762 -0.736 0.000 1.848 286 H HN 0.243 nan 8.280 nan 0.000 0.524 287 L N 1.719 122.755 121.223 -0.311 0.000 2.354 287 L HA 0.593 4.934 4.340 0.003 0.000 0.269 287 L C -0.207 176.533 176.870 -0.216 0.000 1.005 287 L CA -0.748 53.933 54.840 -0.265 0.000 0.819 287 L CB 1.615 43.569 42.059 -0.175 0.000 1.311 287 L HN 0.902 nan 8.230 nan 0.000 0.423 288 M N 0.635 120.198 119.600 -0.061 0.000 2.520 288 M HA 0.807 5.289 4.480 0.003 0.000 0.280 288 M C -1.094 175.284 176.300 0.130 0.000 1.232 288 M CA -0.485 54.866 55.300 0.085 0.000 0.892 288 M CB 2.189 34.986 32.600 0.329 0.000 1.728 288 M HN 0.267 nan 8.290 nan 0.000 0.475 289 S N 1.039 116.841 115.700 0.171 0.000 2.548 289 S HA 0.831 5.302 4.470 0.003 0.000 0.276 289 S C -1.312 173.398 174.600 0.184 0.000 1.129 289 S CA -0.675 57.603 58.200 0.131 0.000 0.931 289 S CB 1.639 64.897 63.200 0.096 0.000 1.068 289 S HN 0.795 nan 8.310 nan 0.000 0.480 290 V N 5.950 125.964 119.914 0.168 0.000 2.614 290 V HA 0.471 4.592 4.120 0.003 0.000 0.291 290 V C 0.324 176.496 176.094 0.131 0.000 1.049 290 V CA -0.043 62.360 62.300 0.172 0.000 1.038 290 V CB 0.909 32.847 31.823 0.191 0.000 0.980 290 V HN 0.795 nan 8.190 nan 0.000 0.481 291 M N 3.449 123.126 119.600 0.129 0.000 2.745 291 M HA 0.551 5.033 4.480 0.003 0.000 0.290 291 M C -0.560 175.799 176.300 0.099 0.000 1.262 291 M CA -0.806 54.554 55.300 0.099 0.000 0.795 291 M CB 1.891 34.547 32.600 0.094 0.000 1.758 291 M HN 0.315 nan 8.290 nan 0.000 0.461 292 L N 0.985 122.259 121.223 0.085 0.000 2.483 292 L HA 0.113 4.455 4.340 0.003 0.000 0.275 292 L C 0.383 177.315 176.870 0.103 0.000 1.220 292 L CA -0.038 54.855 54.840 0.089 0.000 0.833 292 L CB 0.236 42.346 42.059 0.085 0.000 1.102 292 L HN 0.675 nan 8.230 nan 0.000 0.490 293 S N 1.724 117.482 115.700 0.096 0.000 2.835 293 S HA 0.447 4.919 4.470 0.003 0.000 0.286 293 S C 0.383 175.035 174.600 0.086 0.000 1.194 293 S CA -0.841 57.417 58.200 0.097 0.000 1.031 293 S CB 0.704 63.956 63.200 0.087 0.000 1.216 293 S HN 0.714 nan 8.310 nan 0.000 0.502 294 A N 2.398 125.281 122.820 0.106 0.000 2.589 294 A HA 0.315 4.636 4.320 0.003 0.000 0.259 294 A C 1.457 179.055 177.584 0.023 0.000 1.000 294 A CA 0.556 52.622 52.037 0.048 0.000 0.847 294 A CB -1.241 17.893 19.000 0.224 0.000 0.885 294 A HN 2.245 nan 8.150 nan 0.000 0.508 295 A N 1.781 124.572 122.820 -0.048 0.000 3.330 295 A HA -0.090 4.232 4.320 0.003 0.000 0.248 295 A C 1.411 179.015 177.584 0.034 0.000 1.237 295 A CA 1.399 53.434 52.037 -0.003 0.000 1.268 295 A CB -1.953 17.074 19.000 0.045 0.000 1.128 295 A HN 1.599 nan 8.150 nan 0.000 0.922 296 S N -2.842 112.887 115.700 0.048 0.000 2.930 296 S HA 0.069 4.540 4.470 0.003 0.000 0.253 296 S C 1.597 176.269 174.600 0.119 0.000 1.083 296 S CA 0.875 59.122 58.200 0.078 0.000 0.836 296 S CB -0.079 63.164 63.200 0.071 0.000 0.814 296 S HN 0.945 nan 8.310 nan 0.000 0.467 297 C N 2.272 121.633 119.300 0.102 0.000 2.440 297 C HA 0.132 4.593 4.460 0.003 0.000 0.278 297 C C 2.336 177.430 174.990 0.173 0.000 1.295 297 C CA 0.477 59.604 59.018 0.182 0.000 1.738 297 C CB -1.500 26.336 27.740 0.161 0.000 1.987 297 C HN 0.497 nan 8.230 nan 0.000 0.492 298 L N 0.573 121.794 121.223 -0.003 0.000 2.156 298 L HA -0.079 4.263 4.340 0.003 0.000 0.208 298 L C 2.197 179.042 176.870 -0.042 0.000 1.095 298 L CA 1.216 55.993 54.840 -0.105 0.000 0.770 298 L CB -0.688 41.211 42.059 -0.265 0.000 0.914 298 L HN 0.294 nan 8.230 nan 0.000 0.439 299 D N -0.496 119.919 120.400 0.025 0.000 2.103 299 D HA -0.208 4.434 4.640 0.003 0.000 0.199 299 D C 1.748 178.092 176.300 0.072 0.000 0.978 299 D CA 0.974 54.997 54.000 0.038 0.000 0.829 299 D CB -0.149 40.688 40.800 0.063 0.000 0.981 299 D HN 0.410 nan 8.370 nan 0.000 0.464 300 W N 1.955 123.235 121.300 -0.034 0.000 2.363 300 W HA -0.091 4.570 4.660 0.001 0.000 0.296 300 W C 2.076 178.577 176.519 -0.031 0.000 1.212 300 W CA 2.158 59.494 57.345 -0.015 0.000 1.260 300 W CB -0.212 29.253 29.460 0.009 0.000 1.131 300 W HN -0.068 nan 8.180 nan 0.000 0.530 301 A N 0.616 123.270 122.820 -0.277 0.000 1.970 301 A HA 0.157 4.479 4.320 0.003 0.000 0.216 301 A C 2.058 179.409 177.584 -0.389 0.000 1.170 301 A CA 1.563 53.242 52.037 -0.596 0.000 0.645 301 A CB -1.288 17.541 19.000 -0.285 0.000 0.816 301 A HN 0.419 nan 8.150 nan 0.000 0.447 302 A N -0.665 122.015 122.820 -0.232 0.000 2.067 302 A HA -0.043 4.279 4.320 0.003 0.000 0.219 302 A C 2.044 179.521 177.584 -0.179 0.000 1.158 302 A CA 1.967 53.898 52.037 -0.177 0.000 0.661 302 A CB -0.194 18.736 19.000 -0.117 0.000 0.801 302 A HN 0.291 nan 8.150 nan 0.000 0.452 303 K N -0.518 119.755 120.400 -0.213 0.000 2.244 303 K HA 0.156 4.478 4.320 0.003 0.000 0.200 303 K C 1.587 178.048 176.600 -0.232 0.000 1.052 303 K CA 0.512 56.693 56.287 -0.177 0.000 0.980 303 K CB -0.800 31.629 32.500 -0.118 0.000 0.838 303 K HN 0.276 nan 8.250 nan 0.000 0.481 304 L N 1.572 122.558 121.223 -0.396 0.000 2.189 304 L HA -0.161 4.181 4.340 0.003 0.000 0.214 304 L C 1.465 178.177 176.870 -0.265 0.000 1.097 304 L CA 2.362 56.968 54.840 -0.390 0.000 0.764 304 L CB -0.541 41.109 42.059 -0.682 0.000 0.900 304 L HN 0.404 nan 8.230 nan 0.000 0.436 305 T N -4.780 109.622 114.554 -0.254 0.000 3.022 305 T HA 0.385 4.736 4.350 0.003 0.000 0.250 305 T C 1.326 175.942 174.700 -0.140 0.000 1.060 305 T CA 0.243 62.226 62.100 -0.195 0.000 1.013 305 T CB 0.246 68.993 68.868 -0.202 0.000 0.982 305 T HN 0.429 nan 8.240 nan 0.000 0.508 306 G N 1.382 110.103 108.800 -0.131 0.000 2.142 306 G HA2 -0.194 3.767 3.960 0.003 0.000 0.225 306 G HA3 -0.194 3.767 3.960 0.003 0.000 0.225 306 G C 0.420 175.270 174.900 -0.084 0.000 1.015 306 G CA 0.275 45.319 45.100 -0.094 0.000 0.716 306 G HN 0.538 nan 8.290 nan 0.000 0.508 307 L N -0.240 120.925 121.223 -0.096 0.000 2.731 307 L HA 0.359 4.701 4.340 0.003 0.000 0.240 307 L C 2.057 178.883 176.870 -0.073 0.000 1.120 307 L CA 0.765 55.554 54.840 -0.085 0.000 0.913 307 L CB 0.423 42.421 42.059 -0.101 0.000 1.213 307 L HN 0.530 nan 8.230 nan 0.000 0.515 308 S N 1.468 117.125 115.700 -0.071 0.000 3.143 308 S HA -0.186 4.286 4.470 0.003 0.000 0.291 308 S C -0.079 174.496 174.600 -0.042 0.000 1.294 308 S CA 1.390 59.558 58.200 -0.052 0.000 1.115 308 S CB -1.126 62.050 63.200 -0.041 0.000 1.318 308 S HN 0.835 nan 8.310 nan 0.000 0.685 309 N N -1.808 116.862 118.700 -0.050 0.000 3.171 309 N HA 0.173 4.915 4.740 0.003 0.000 0.239 309 N C 0.007 175.484 175.510 -0.054 0.000 1.275 309 N CA -0.175 52.852 53.050 -0.040 0.000 0.920 309 N CB 1.094 39.564 38.487 -0.028 0.000 1.554 309 N HN 0.024 nan 8.380 nan 0.000 0.504 310 V N 0.323 120.207 119.914 -0.050 0.000 3.129 310 V HA 0.055 4.176 4.120 0.003 0.000 0.259 310 V C -1.155 174.899 176.094 -0.066 0.000 1.116 310 V CA 0.951 63.207 62.300 -0.072 0.000 1.127 310 V CB -0.834 30.944 31.823 -0.076 0.000 0.742 310 V HN 0.586 nan 8.190 nan 0.000 0.474 311 P HA 0.051 nan 4.420 nan 0.000 0.226 311 P C 1.710 178.980 177.300 -0.050 0.000 1.161 311 P CA 1.286 64.365 63.100 -0.035 0.000 0.804 311 P CB 0.080 31.769 31.700 -0.018 0.000 0.829 312 A N -0.156 122.630 122.820 -0.056 0.000 1.877 312 A HA -0.179 4.143 4.320 0.003 0.000 0.216 312 A C 2.101 179.636 177.584 -0.083 0.000 1.186 312 A CA 1.343 53.340 52.037 -0.066 0.000 0.620 312 A CB -1.681 17.282 19.000 -0.062 0.000 0.822 312 A HN 0.108 nan 8.150 nan 0.000 0.443 313 L N -0.487 120.681 121.223 -0.092 0.000 1.997 313 L HA -0.203 4.139 4.340 0.003 0.000 0.216 313 L C 2.231 179.042 176.870 -0.100 0.000 1.074 313 L CA 2.125 56.900 54.840 -0.108 0.000 0.763 313 L CB -0.446 41.535 42.059 -0.129 0.000 0.890 313 L HN 0.367 nan 8.230 nan 0.000 0.434 314 I N -0.812 119.705 120.570 -0.087 0.000 2.546 314 I HA -0.182 3.990 4.170 0.003 0.000 0.255 314 I C 2.421 178.440 176.117 -0.164 0.000 1.163 314 I CA 1.211 62.470 61.300 -0.068 0.000 1.457 314 I CB -0.610 37.397 38.000 0.012 0.000 1.092 314 I HN 0.323 nan 8.210 nan 0.000 0.434 315 A N 0.235 122.973 122.820 -0.138 0.000 1.873 315 A HA -0.112 4.209 4.320 0.003 0.000 0.215 315 A C 2.541 180.038 177.584 -0.145 0.000 1.186 315 A CA 1.666 53.610 52.037 -0.155 0.000 0.616 315 A CB -1.127 17.811 19.000 -0.103 0.000 0.823 315 A HN 0.376 nan 8.150 nan 0.000 0.442 316 A N 0.099 122.852 122.820 -0.112 0.000 1.892 316 A HA 0.051 4.373 4.320 0.003 0.000 0.218 316 A C 2.519 180.046 177.584 -0.095 0.000 1.188 316 A CA 2.491 54.471 52.037 -0.096 0.000 0.631 316 A CB -1.223 17.722 19.000 -0.090 0.000 0.822 316 A HN 1.244 nan 8.150 nan 0.000 0.447 317 A N -1.110 121.654 122.820 -0.094 0.000 2.032 317 A HA -0.260 4.061 4.320 0.003 0.000 0.221 317 A C 2.034 179.577 177.584 -0.069 0.000 1.165 317 A CA 1.839 53.845 52.037 -0.052 0.000 0.645 317 A CB -0.509 18.497 19.000 0.009 0.000 0.807 317 A HN 0.704 nan 8.150 nan 0.000 0.453 318 Q N -1.507 118.192 119.800 -0.169 0.000 2.425 318 Q HA 0.039 4.381 4.340 0.003 0.000 0.204 318 Q C 0.918 176.856 176.000 -0.103 0.000 0.933 318 Q CA 0.334 56.019 55.803 -0.196 0.000 0.939 318 Q CB 0.281 28.795 28.738 -0.373 0.000 1.044 318 Q HN 0.560 nan 8.270 nan 0.000 0.513 319 Q N -0.577 119.172 119.800 -0.084 0.000 2.198 319 Q HA 0.271 4.612 4.340 0.003 0.000 0.209 319 Q C -0.220 175.754 176.000 -0.043 0.000 0.848 319 Q CA -0.145 55.622 55.803 -0.060 0.000 0.974 319 Q CB 0.919 29.619 28.738 -0.063 0.000 1.115 319 Q HN 0.186 nan 8.270 nan 0.000 0.494 320 A N 1.163 123.963 122.820 -0.033 0.000 2.425 320 A HA 0.042 4.364 4.320 0.003 0.000 0.242 320 A C 0.180 177.755 177.584 -0.016 0.000 1.077 320 A CA -0.211 51.815 52.037 -0.020 0.000 0.781 320 A CB 0.237 19.235 19.000 -0.004 0.000 1.020 320 A HN 0.073 nan 8.150 nan 0.000 0.494 321 D N 1.108 121.497 120.400 -0.017 0.000 2.344 321 D HA 0.041 4.683 4.640 0.003 0.000 0.253 321 D C 0.739 177.028 176.300 -0.018 0.000 1.255 321 D CA -0.069 53.916 54.000 -0.026 0.000 0.894 321 D CB 0.495 41.267 40.800 -0.046 0.000 1.067 321 D HN 0.470 nan 8.370 nan 0.000 0.492 322 E N 1.778 121.969 120.200 -0.014 0.000 2.393 322 E HA -0.112 4.239 4.350 0.003 0.000 0.201 322 E C 1.106 177.700 176.600 -0.011 0.000 1.025 322 E CA 0.655 57.050 56.400 -0.009 0.000 0.856 322 E CB 0.230 29.925 29.700 -0.008 0.000 0.771 322 E HN 0.354 nan 8.360 nan 0.000 0.526 323 S N -0.096 115.591 115.700 -0.021 0.000 2.497 323 S HA 0.205 4.677 4.470 0.003 0.000 0.218 323 S C 0.855 175.429 174.600 -0.043 0.000 1.023 323 S CA 0.095 58.279 58.200 -0.026 0.000 0.913 323 S CB 0.519 63.702 63.200 -0.029 0.000 0.800 323 S HN 0.281 nan 8.310 nan 0.000 0.505 324 A N 2.222 125.004 122.820 -0.064 0.000 2.477 324 A HA 0.238 4.560 4.320 0.003 0.000 0.246 324 A C 0.323 177.903 177.584 -0.006 0.000 1.078 324 A CA -0.157 51.805 52.037 -0.125 0.000 0.770 324 A CB 0.067 18.963 19.000 -0.173 0.000 1.011 324 A HN 0.402 nan 8.150 nan 0.000 0.494 325 E N 1.736 121.935 120.200 -0.002 0.000 2.438 325 E HA 0.113 4.465 4.350 0.003 0.000 0.261 325 E C -2.214 174.524 176.600 0.229 0.000 1.103 325 E CA -1.048 55.429 56.400 0.130 0.000 0.959 325 E CB -0.042 29.746 29.700 0.147 0.000 0.958 325 E HN 0.432 nan 8.360 nan 0.000 0.447 326 P HA 0.013 nan 4.420 nan 0.000 0.271 326 P C -1.077 176.093 177.300 -0.215 0.000 1.216 326 P CA 0.086 63.114 63.100 -0.120 0.000 0.771 326 P CB 0.616 32.191 31.700 -0.208 0.000 0.864 327 V N 4.385 124.080 119.914 -0.364 0.000 2.459 327 V HA 0.337 4.459 4.120 0.003 0.000 0.295 327 V C -0.726 175.277 176.094 -0.152 0.000 1.029 327 V CA -0.376 61.766 62.300 -0.264 0.000 0.874 327 V CB 1.042 32.637 31.823 -0.381 0.000 0.985 327 V HN 0.549 nan 8.190 nan 0.000 0.438 328 W N 4.974 126.498 121.300 0.374 0.000 2.329 328 W HA 0.522 5.183 4.660 0.002 0.000 0.312 328 W C -0.474 176.370 176.519 0.542 0.000 1.054 328 W CA -0.648 56.973 57.345 0.460 0.000 1.245 328 W CB 1.163 30.875 29.460 0.419 0.000 1.255 328 W HN 0.507 nan 8.180 nan 0.000 0.436 329 F N 5.542 125.813 119.950 0.534 0.000 2.334 329 F HA 0.518 5.046 4.527 0.002 0.000 0.367 329 F C -0.675 175.332 175.800 0.345 0.000 1.115 329 F CA -1.450 56.731 58.000 0.301 0.000 1.116 329 F CB 0.291 39.407 39.000 0.194 0.000 1.230 329 F HN 0.112 nan 8.300 nan 0.000 0.484 330 L N 9.101 130.208 121.223 -0.193 0.000 2.268 330 L HA 0.386 4.728 4.340 0.003 0.000 0.289 330 L C -2.282 174.191 176.870 -0.661 0.000 1.064 330 L CA -1.833 52.862 54.840 -0.242 0.000 0.824 330 L CB 0.796 42.765 42.059 -0.149 0.000 1.202 330 L HN 0.433 nan 8.230 nan 0.000 0.433 331 P HA 0.175 nan 4.420 nan 0.000 0.295 331 P C -1.367 175.789 177.300 -0.241 0.000 1.354 331 P CA -0.341 62.464 63.100 -0.491 0.000 0.814 331 P CB 0.440 31.953 31.700 -0.312 0.000 0.935 332 Y N 3.175 123.433 120.300 -0.071 0.000 2.367 332 Y HA 0.279 4.831 4.550 0.003 0.000 0.342 332 Y C 0.773 176.675 175.900 0.004 0.000 0.979 332 Y CA -0.864 57.235 58.100 -0.001 0.000 1.161 332 Y CB 1.417 39.794 38.460 -0.138 0.000 1.155 332 Y HN 0.264 nan 8.280 nan 0.000 0.503 333 L N 3.465 124.796 121.223 0.180 0.000 2.290 333 L HA 0.401 4.743 4.340 0.003 0.000 0.284 333 L C 0.284 177.223 176.870 0.116 0.000 1.078 333 L CA 0.393 55.307 54.840 0.122 0.000 0.815 333 L CB 0.899 43.023 42.059 0.109 0.000 1.162 333 L HN 0.603 nan 8.230 nan 0.000 0.435 344 Q N 1.751 121.576 119.800 0.041 0.000 2.456 344 Q HA 0.641 4.983 4.340 0.003 0.000 0.234 344 Q C -0.635 175.370 176.000 0.008 0.000 1.061 344 Q CA -0.045 55.764 55.803 0.010 0.000 0.896 344 Q CB 0.998 29.749 28.738 0.021 0.000 1.233 344 Q HN 0.387 nan 8.270 nan 0.000 0.506 345 A N 3.902 126.701 122.820 -0.034 0.000 2.295 345 A HA 0.508 4.830 4.320 0.003 0.000 0.318 345 A C -0.643 176.893 177.584 -0.080 0.000 1.134 345 A CA -0.605 51.409 52.037 -0.038 0.000 0.827 345 A CB 0.918 19.886 19.000 -0.054 0.000 1.136 345 A HN 0.649 nan 8.150 nan 0.000 0.493 346 K N 0.730 121.114 120.400 -0.027 0.000 2.185 346 K HA 0.568 4.889 4.320 0.003 0.000 0.269 346 K C 0.032 176.623 176.600 -0.016 0.000 0.987 346 K CA 0.139 56.403 56.287 -0.039 0.000 0.865 346 K CB 1.342 33.826 32.500 -0.027 0.000 1.090 346 K HN 0.872 nan 8.250 nan 0.000 0.450 347 G N 1.592 110.356 108.800 -0.060 0.000 2.519 347 G HA2 0.577 4.538 3.960 0.003 0.000 0.307 347 G HA3 0.577 4.538 3.960 0.003 0.000 0.307 347 G C -1.466 173.441 174.900 0.012 0.000 1.266 347 G CA -0.571 44.477 45.100 -0.088 0.000 0.970 347 G HN 0.457 nan 8.290 nan 0.000 0.481 348 V N 0.872 120.774 119.914 -0.019 0.000 2.628 348 V HA 0.513 4.635 4.120 0.003 0.000 0.306 348 V C -1.000 175.208 176.094 0.190 0.000 1.045 348 V CA -0.590 61.788 62.300 0.130 0.000 0.905 348 V CB 1.819 33.758 31.823 0.192 0.000 0.997 348 V HN 0.660 nan 8.190 nan 0.000 0.436 349 F N 4.296 124.487 119.950 0.401 0.000 2.359 349 F HA 0.455 4.983 4.527 0.002 0.000 0.369 349 F C -0.358 175.651 175.800 0.348 0.000 1.084 349 F CA -0.473 57.771 58.000 0.407 0.000 1.096 349 F CB 1.044 40.230 39.000 0.310 0.000 1.335 349 F HN 0.460 nan 8.300 nan 0.000 0.457 350 F N 2.818 123.040 119.950 0.453 0.000 2.405 350 F HA 0.600 5.128 4.527 0.002 0.000 0.355 350 F C 0.577 176.578 175.800 0.335 0.000 1.121 350 F CA -0.340 57.864 58.000 0.340 0.000 1.112 350 F CB 1.186 40.369 39.000 0.305 0.000 1.126 350 F HN 0.583 nan 8.300 nan 0.000 0.481 351 G N 5.874 114.509 108.800 -0.275 0.000 2.237 351 G HA2 -0.155 3.807 3.960 0.003 0.000 0.153 351 G HA3 -0.155 3.807 3.960 0.003 0.000 0.153 351 G C -0.876 173.981 174.900 -0.073 0.000 1.039 351 G CA -0.513 44.446 45.100 -0.235 0.000 0.719 351 G HN 0.709 nan 8.290 nan 0.000 0.491 352 L N 1.638 122.825 121.223 -0.059 0.000 2.292 352 L HA 0.719 5.060 4.340 0.003 0.000 0.284 352 L C 1.165 178.113 176.870 0.129 0.000 1.065 352 L CA 0.119 54.962 54.840 0.005 0.000 0.806 352 L CB 1.497 43.533 42.059 -0.037 0.000 1.175 352 L HN 0.481 nan 8.230 nan 0.000 0.431 353 T N -3.152 111.590 114.554 0.314 0.000 2.773 353 T HA 0.258 4.610 4.350 0.003 0.000 0.278 353 T C 1.164 175.844 174.700 -0.033 0.000 1.011 353 T CA -0.613 61.525 62.100 0.064 0.000 1.014 353 T CB 1.040 69.833 68.868 -0.124 0.000 1.293 353 T HN 0.688 nan 8.240 nan 0.000 0.554 354 H N 0.362 119.418 119.070 -0.023 0.000 2.422 354 H HA -0.142 4.415 4.556 0.003 0.000 0.298 354 H C 1.631 176.907 175.328 -0.086 0.000 1.098 354 H CA 1.827 57.849 56.048 -0.043 0.000 1.315 354 H CB -0.441 29.297 29.762 -0.040 0.000 1.382 354 H HN 0.839 nan 8.280 nan 0.000 0.523 355 Q N 0.556 119.976 119.800 -0.633 0.000 2.515 355 Q HA -0.012 4.330 4.340 0.003 0.000 0.212 355 Q C -0.162 175.591 176.000 -0.413 0.000 0.970 355 Q CA 0.496 55.990 55.803 -0.516 0.000 0.941 355 Q CB 0.010 28.341 28.738 -0.678 0.000 0.998 355 Q HN 0.493 nan 8.270 nan 0.000 0.518 356 H N 0.499 119.485 119.070 -0.141 0.000 2.581 356 H HA 0.517 5.075 4.556 0.003 0.000 0.308 356 H C -0.126 175.132 175.328 -0.117 0.000 1.040 356 H CA -0.010 55.963 56.048 -0.124 0.000 1.231 356 H CB 1.486 31.170 29.762 -0.131 0.000 1.396 356 H HN 0.313 nan 8.280 nan 0.000 0.467 357 G N 2.476 111.279 108.800 0.006 0.000 3.107 357 G HA2 0.244 4.206 3.960 0.003 0.000 0.232 357 G HA3 0.244 4.206 3.960 0.003 0.000 0.232 357 G C -1.730 173.123 174.900 -0.078 0.000 1.339 357 G CA -1.436 43.637 45.100 -0.045 0.000 1.033 357 G HN 0.207 nan 8.290 nan 0.000 0.567 358 P HA -0.056 nan 4.420 nan 0.000 0.220 358 P C 1.272 178.508 177.300 -0.106 0.000 1.148 358 P CA 0.909 63.938 63.100 -0.118 0.000 0.803 358 P CB 0.217 31.854 31.700 -0.104 0.000 0.782 359 N N -0.436 118.218 118.700 -0.078 0.000 2.171 359 N HA -0.112 4.630 4.740 0.003 0.000 0.184 359 N C 1.546 177.024 175.510 -0.053 0.000 1.021 359 N CA 1.116 54.126 53.050 -0.066 0.000 0.854 359 N CB -0.650 37.804 38.487 -0.054 0.000 0.994 359 N HN 0.158 nan 8.380 nan 0.000 0.426 360 E N -0.027 120.150 120.200 -0.038 0.000 2.216 360 E HA 0.021 4.373 4.350 0.003 0.000 0.192 360 E C 1.646 178.207 176.600 -0.064 0.000 0.988 360 E CA 0.181 56.575 56.400 -0.009 0.000 0.834 360 E CB -0.092 29.666 29.700 0.097 0.000 0.772 360 E HN 0.171 nan 8.360 nan 0.000 0.479 361 L N 0.006 121.155 121.223 -0.123 0.000 2.131 361 L HA 0.043 4.384 4.340 0.003 0.000 0.206 361 L C 2.039 178.842 176.870 -0.112 0.000 1.087 361 L CA 1.331 56.053 54.840 -0.196 0.000 0.767 361 L CB -0.543 41.312 42.059 -0.341 0.000 0.917 361 L HN 0.118 nan 8.230 nan 0.000 0.441 362 A N -0.361 122.392 122.820 -0.110 0.000 1.927 362 A HA -0.309 4.012 4.320 0.003 0.000 0.220 362 A C 2.539 180.097 177.584 -0.044 0.000 1.185 362 A CA 2.252 54.233 52.037 -0.093 0.000 0.639 362 A CB -0.673 18.272 19.000 -0.092 0.000 0.820 362 A HN 0.467 nan 8.150 nan 0.000 0.451 363 R N -0.813 119.678 120.500 -0.015 0.000 2.161 363 R HA 0.092 4.433 4.340 0.003 0.000 0.213 363 R C 2.234 178.555 176.300 0.036 0.000 1.055 363 R CA 1.072 57.190 56.100 0.030 0.000 0.996 363 R CB -0.304 30.017 30.300 0.035 0.000 0.901 363 R HN 0.444 nan 8.270 nan 0.000 0.456 364 A N 0.431 123.276 122.820 0.043 0.000 1.972 364 A HA -0.074 4.248 4.320 0.003 0.000 0.219 364 A C 2.135 179.850 177.584 0.217 0.000 1.169 364 A CA 1.267 53.380 52.037 0.127 0.000 0.635 364 A CB -0.325 18.795 19.000 0.201 0.000 0.810 364 A HN 0.193 nan 8.150 nan 0.000 0.446 365 V N 0.261 120.237 119.914 0.103 0.000 2.283 365 V HA -0.217 3.905 4.120 0.003 0.000 0.243 365 V C 2.553 178.707 176.094 0.100 0.000 1.039 365 V CA 1.792 64.100 62.300 0.014 0.000 1.016 365 V CB -0.757 30.924 31.823 -0.237 0.000 0.650 365 V HN 0.577 nan 8.190 nan 0.000 0.449 366 L N -0.158 121.076 121.223 0.017 0.000 2.043 366 L HA -0.244 4.098 4.340 0.003 0.000 0.212 366 L C 2.571 179.493 176.870 0.087 0.000 1.075 366 L CA 1.942 56.826 54.840 0.073 0.000 0.752 366 L CB -0.818 41.315 42.059 0.124 0.000 0.891 366 L HN 0.453 nan 8.230 nan 0.000 0.432 367 E N 0.093 120.227 120.200 -0.110 0.000 2.072 367 E HA -0.128 4.224 4.350 0.003 0.000 0.191 367 E C 2.275 178.356 176.600 -0.865 0.000 0.985 367 E CA 0.975 57.013 56.400 -0.604 0.000 0.801 367 E CB -0.313 29.063 29.700 -0.540 0.000 0.750 367 E HN 0.550 nan 8.360 nan 0.000 0.452 368 G N 1.349 110.014 108.800 -0.225 0.000 2.459 368 G HA2 -0.255 3.707 3.960 0.003 0.000 0.217 368 G HA3 -0.255 3.707 3.960 0.003 0.000 0.217 368 G C 1.789 176.609 174.900 -0.133 0.000 1.183 368 G CA 0.955 46.026 45.100 -0.048 0.000 0.776 368 G HN 0.117 nan 8.290 nan 0.000 0.552 369 V N 1.638 121.607 119.914 0.091 0.000 2.295 369 V HA -0.084 4.038 4.120 0.003 0.000 0.246 369 V C 3.166 179.277 176.094 0.029 0.000 1.049 369 V CA 2.077 64.451 62.300 0.122 0.000 1.024 369 V CB -1.186 30.779 31.823 0.236 0.000 0.648 369 V HN 0.450 nan 8.190 nan 0.000 0.447 370 G N -1.156 107.634 108.800 -0.017 0.000 2.446 370 G HA2 -0.282 3.680 3.960 0.003 0.000 0.217 370 G HA3 -0.282 3.680 3.960 0.003 0.000 0.217 370 G C 1.415 176.160 174.900 -0.259 0.000 1.168 370 G CA 1.140 46.126 45.100 -0.189 0.000 0.771 370 G HN 0.493 nan 8.290 nan 0.000 0.551 371 Y N 1.384 121.447 120.300 -0.395 0.000 2.207 371 Y HA 0.030 4.581 4.550 0.003 0.000 0.287 371 Y C 3.105 178.706 175.900 -0.499 0.000 1.156 371 Y CA 0.159 57.917 58.100 -0.570 0.000 1.182 371 Y CB -1.053 36.746 38.460 -1.102 0.000 0.979 371 Y HN 0.279 nan 8.280 nan 0.000 0.521 372 A N 0.141 122.786 122.820 -0.291 0.000 1.877 372 A HA -0.128 4.194 4.320 0.003 0.000 0.216 372 A C 2.330 179.856 177.584 -0.095 0.000 1.186 372 A CA 1.565 53.542 52.037 -0.100 0.000 0.620 372 A CB -1.108 17.879 19.000 -0.020 0.000 0.822 372 A HN 0.442 nan 8.150 nan 0.000 0.443 373 L N -0.811 120.351 121.223 -0.101 0.000 2.093 373 L HA -0.156 4.186 4.340 0.003 0.000 0.208 373 L C 3.037 179.791 176.870 -0.194 0.000 1.085 373 L CA 0.951 55.715 54.840 -0.127 0.000 0.755 373 L CB -0.569 41.421 42.059 -0.115 0.000 0.904 373 L HN 0.430 nan 8.230 nan 0.000 0.435 374 A N -0.330 122.384 122.820 -0.177 0.000 1.930 374 A HA -0.207 4.115 4.320 0.003 0.000 0.217 374 A C 1.966 179.453 177.584 -0.161 0.000 1.175 374 A CA 1.764 53.698 52.037 -0.171 0.000 0.627 374 A CB -0.387 18.548 19.000 -0.110 0.000 0.815 374 A HN 0.332 nan 8.150 nan 0.000 0.443 375 D N -0.427 119.897 120.400 -0.127 0.000 2.183 375 D HA -0.047 4.594 4.640 0.003 0.000 0.203 375 D C 2.098 178.311 176.300 -0.145 0.000 0.969 375 D CA 1.256 55.188 54.000 -0.113 0.000 0.842 375 D CB -0.481 40.271 40.800 -0.080 0.000 0.957 375 D HN 0.425 nan 8.370 nan 0.000 0.484 376 G N 0.960 109.667 108.800 -0.156 0.000 2.433 376 G HA2 -0.248 3.714 3.960 0.003 0.000 0.216 376 G HA3 -0.248 3.714 3.960 0.003 0.000 0.216 376 G C 1.696 176.466 174.900 -0.218 0.000 1.186 376 G CA 0.593 45.607 45.100 -0.144 0.000 0.779 376 G HN 0.197 nan 8.290 nan 0.000 0.543 377 M N 0.583 119.935 119.600 -0.413 0.000 2.117 377 M HA -0.040 4.441 4.480 0.003 0.000 0.262 377 M C 2.088 177.979 176.300 -0.682 0.000 1.065 377 M CA 1.369 56.239 55.300 -0.716 0.000 1.114 377 M CB -0.423 31.606 32.600 -0.952 0.000 1.361 377 M HN 0.061 nan 8.290 nan 0.000 0.408 378 D N 0.371 120.519 120.400 -0.421 0.000 2.149 378 D HA -0.127 4.514 4.640 0.003 0.000 0.198 378 D C 2.086 178.294 176.300 -0.153 0.000 0.990 378 D CA 1.172 55.022 54.000 -0.250 0.000 0.839 378 D CB -0.351 40.384 40.800 -0.109 0.000 0.948 378 D HN 0.160 nan 8.370 nan 0.000 0.460 379 V N 0.373 120.207 119.914 -0.133 0.000 2.427 379 V HA -0.175 3.947 4.120 0.003 0.000 0.248 379 V C 2.497 178.568 176.094 -0.038 0.000 1.051 379 V CA 0.929 63.187 62.300 -0.070 0.000 1.048 379 V CB -0.123 31.661 31.823 -0.065 0.000 0.666 379 V HN 0.076 nan 8.190 nan 0.000 0.456 380 V N -0.577 119.319 119.914 -0.030 0.000 2.488 380 V HA -0.201 3.920 4.120 0.003 0.000 0.246 380 V C 2.168 178.348 176.094 0.143 0.000 1.046 380 V CA 1.833 64.168 62.300 0.059 0.000 1.053 380 V CB -0.819 31.117 31.823 0.188 0.000 0.679 380 V HN 0.670 nan 8.190 nan 0.000 0.458 381 H N 0.377 119.494 119.070 0.080 0.000 2.387 381 H HA -0.061 4.497 4.556 0.003 0.000 0.299 381 H C 2.204 177.535 175.328 0.006 0.000 1.090 381 H CA 0.994 57.070 56.048 0.046 0.000 1.332 381 H CB -0.059 29.732 29.762 0.049 0.000 1.386 381 H HN 0.467 nan 8.280 nan 0.000 0.516 382 A N 0.119 123.010 122.820 0.118 0.000 2.248 382 A HA -0.090 4.232 4.320 0.003 0.000 0.210 382 A C 2.055 179.648 177.584 0.014 0.000 1.174 382 A CA 0.693 52.759 52.037 0.048 0.000 0.750 382 A CB -0.737 18.274 19.000 0.018 0.000 0.780 382 A HN 0.504 nan 8.150 nan 0.000 0.478 383 C N -2.774 116.537 119.300 0.018 0.000 2.551 383 C HA 0.463 4.924 4.460 0.003 0.000 0.277 383 C C 2.084 177.050 174.990 -0.041 0.000 1.349 383 C CA 0.854 59.856 59.018 -0.027 0.000 1.750 383 C CB -0.004 27.716 27.740 -0.035 0.000 2.058 383 C HN 0.839 nan 8.230 nan 0.000 0.518 384 G N -0.896 107.897 108.800 -0.011 0.000 3.658 384 G HA2 0.016 3.977 3.960 0.003 0.000 0.220 384 G HA3 0.016 3.977 3.960 0.003 0.000 0.220 384 G C -0.095 174.793 174.900 -0.021 0.000 0.917 384 G CA -0.391 44.691 45.100 -0.030 0.000 0.865 384 G HN 0.194 nan 8.290 nan 0.000 0.652 385 I N 1.163 121.739 120.570 0.010 0.000 2.474 385 I HA 0.407 4.578 4.170 0.003 0.000 0.287 385 I C 0.490 176.554 176.117 -0.088 0.000 1.048 385 I CA 0.201 61.499 61.300 -0.004 0.000 1.383 385 I CB 1.385 39.432 38.000 0.078 0.000 1.412 385 I HN 0.021 nan 8.210 nan 0.000 0.531 386 K N 5.888 126.221 120.400 -0.112 0.000 3.123 386 K HA 0.251 4.573 4.320 0.003 0.000 0.209 386 K C -2.323 174.193 176.600 -0.139 0.000 1.132 386 K CA -1.036 55.166 56.287 -0.142 0.000 0.992 386 K CB 0.672 33.125 32.500 -0.079 0.000 0.773 386 K HN 0.431 nan 8.250 nan 0.000 0.458 387 P HA -0.057 nan 4.420 nan 0.000 0.268 387 P C 0.081 177.331 177.300 -0.084 0.000 1.204 387 P CA 0.193 63.242 63.100 -0.084 0.000 0.768 387 P CB 1.701 33.389 31.700 -0.021 0.000 0.842 388 Q N 3.321 123.095 119.800 -0.042 0.000 2.062 388 Q HA -0.032 4.310 4.340 0.003 0.000 0.196 388 Q C 0.345 176.333 176.000 -0.020 0.000 0.967 388 Q CA 1.191 56.972 55.803 -0.037 0.000 0.832 388 Q CB -0.273 28.451 28.738 -0.023 0.000 0.899 388 Q HN 0.521 nan 8.270 nan 0.000 0.442 389 S N -1.076 114.626 115.700 0.003 0.000 2.570 389 S HA 0.767 5.239 4.470 0.003 0.000 0.286 389 S C -0.900 173.735 174.600 0.058 0.000 1.099 389 S CA -0.872 57.343 58.200 0.025 0.000 0.913 389 S CB 2.078 65.292 63.200 0.024 0.000 1.085 389 S HN 0.071 nan 8.310 nan 0.000 0.480 390 V N 1.740 121.706 119.914 0.086 0.000 2.555 390 V HA 0.514 4.635 4.120 0.003 0.000 0.302 390 V C 0.145 176.314 176.094 0.126 0.000 1.038 390 V CA -0.564 61.820 62.300 0.140 0.000 0.887 390 V CB 1.949 33.897 31.823 0.209 0.000 0.991 390 V HN 1.053 nan 8.190 nan 0.000 0.434 391 T N 5.615 120.246 114.554 0.128 0.000 2.869 391 T HA 0.487 4.838 4.350 0.003 0.000 0.295 391 T C -0.514 174.270 174.700 0.139 0.000 0.987 391 T CA 0.080 62.247 62.100 0.112 0.000 1.109 391 T CB 0.757 69.672 68.868 0.078 0.000 0.932 391 T HN 0.407 nan 8.240 nan 0.000 0.518 392 L N 6.017 127.331 121.223 0.153 0.000 2.349 392 L HA 0.743 5.085 4.340 0.003 0.000 0.278 392 L C -1.014 175.995 176.870 0.232 0.000 0.996 392 L CA -0.603 54.345 54.840 0.179 0.000 0.825 392 L CB 0.673 42.833 42.059 0.169 0.000 1.243 392 L HN 0.657 nan 8.230 nan 0.000 0.412 393 I N 2.257 122.938 120.570 0.186 0.000 3.264 393 I HA 1.105 5.277 4.170 0.003 0.000 0.315 393 I C 0.182 176.403 176.117 0.174 0.000 1.154 393 I CA -0.234 61.175 61.300 0.183 0.000 0.962 393 I CB 1.742 39.794 38.000 0.087 0.000 1.265 393 I HN 0.866 nan 8.210 nan 0.000 0.463 394 G N 0.431 109.330 108.800 0.166 0.000 2.440 394 G HA2 0.345 4.306 3.960 0.003 0.000 0.684 394 G HA3 0.345 4.306 3.960 0.003 0.000 0.684 394 G C 0.172 175.169 174.900 0.162 0.000 1.309 394 G CA -0.329 44.855 45.100 0.139 0.000 0.931 394 G HN 1.399 nan 8.290 nan 0.000 0.612 395 G N -0.534 108.338 108.800 0.121 0.000 2.448 395 G HA2 0.337 4.298 3.960 0.003 0.000 0.218 395 G HA3 0.337 4.298 3.960 0.003 0.000 0.218 395 G C 1.770 176.732 174.900 0.105 0.000 1.135 395 G CA 1.501 46.666 45.100 0.109 0.000 0.784 395 G HN 1.865 nan 8.290 nan 0.000 0.543 396 G N 0.233 109.102 108.800 0.115 0.000 2.708 396 G HA2 0.245 4.207 3.960 0.003 0.000 0.210 396 G HA3 0.245 4.207 3.960 0.003 0.000 0.210 396 G C 1.149 176.190 174.900 0.235 0.000 1.141 396 G CA 1.009 46.181 45.100 0.120 0.000 0.788 396 G HN 0.640 nan 8.290 nan 0.000 0.531 397 A N 0.378 123.311 122.820 0.188 0.000 2.538 397 A HA 0.307 4.628 4.320 0.003 0.000 0.269 397 A C 2.114 179.631 177.584 -0.112 0.000 1.231 397 A CA 0.319 52.421 52.037 0.107 0.000 0.948 397 A CB -0.060 19.008 19.000 0.114 0.000 1.110 397 A HN 0.260 nan 8.150 nan 0.000 0.529 398 R N 0.271 120.785 120.500 0.022 0.000 2.115 398 R HA -0.014 4.327 4.340 0.003 0.000 0.230 398 R C 0.619 176.891 176.300 -0.046 0.000 1.111 398 R CA 1.670 57.779 56.100 0.015 0.000 0.976 398 R CB -0.639 29.714 30.300 0.088 0.000 0.870 398 R HN 0.341 nan 8.270 nan 0.000 0.445 399 S N 0.552 116.259 115.700 0.010 0.000 2.537 399 S HA 0.047 4.519 4.470 0.003 0.000 0.275 399 S C 0.785 175.402 174.600 0.029 0.000 1.272 399 S CA -0.564 57.671 58.200 0.058 0.000 1.050 399 S CB 1.573 64.845 63.200 0.121 0.000 0.961 399 S HN 0.462 nan 8.310 nan 0.000 0.496 400 E N 3.757 123.990 120.200 0.055 0.000 2.086 400 E HA -0.130 4.222 4.350 0.003 0.000 0.190 400 E C 1.250 177.881 176.600 0.053 0.000 0.975 400 E CA 0.627 57.055 56.400 0.047 0.000 0.813 400 E CB -0.291 29.491 29.700 0.136 0.000 0.768 400 E HN 0.922 nan 8.360 nan 0.000 0.457 401 Y N -0.011 120.310 120.300 0.035 0.000 2.102 401 Y HA -0.281 4.271 4.550 0.003 0.000 0.280 401 Y C 1.819 177.743 175.900 0.039 0.000 1.178 401 Y CA 2.400 60.529 58.100 0.049 0.000 1.146 401 Y CB -0.552 37.953 38.460 0.074 0.000 0.968 401 Y HN 0.260 nan 8.280 nan 0.000 0.504 402 W N 1.058 122.274 121.300 -0.140 0.000 2.576 402 W HA 0.038 4.700 4.660 0.004 0.000 0.270 402 W C 2.235 178.558 176.519 -0.328 0.000 1.255 402 W CA 1.068 58.269 57.345 -0.240 0.000 1.314 402 W CB -0.168 29.233 29.460 -0.098 0.000 1.101 402 W HN -0.107 nan 8.180 nan 0.000 0.595 403 R N -0.308 119.921 120.500 -0.452 0.000 2.120 403 R HA -0.199 4.142 4.340 0.003 0.000 0.234 403 R C 1.935 177.728 176.300 -0.846 0.000 1.123 403 R CA 1.651 57.298 56.100 -0.756 0.000 0.975 403 R CB -0.417 29.320 30.300 -0.938 0.000 0.866 403 R HN 0.171 nan 8.270 nan 0.000 0.446 404 Q N 0.628 120.009 119.800 -0.699 0.000 2.123 404 Q HA 0.000 4.342 4.340 0.003 0.000 0.196 404 Q C 1.980 177.751 176.000 -0.382 0.000 0.958 404 Q CA 1.085 56.637 55.803 -0.418 0.000 0.841 404 Q CB 0.003 28.634 28.738 -0.177 0.000 0.915 404 Q HN 0.194 nan 8.270 nan 0.000 0.455 405 M N -0.680 118.605 119.600 -0.526 0.000 2.149 405 M HA -0.185 4.297 4.480 0.003 0.000 0.261 405 M C 1.258 177.237 176.300 -0.534 0.000 1.064 405 M CA 1.315 56.325 55.300 -0.482 0.000 1.102 405 M CB -0.012 32.278 32.600 -0.516 0.000 1.369 405 M HN 0.393 nan 8.290 nan 0.000 0.408 406 L N 0.388 121.195 121.223 -0.694 0.000 2.095 406 L HA 0.064 4.405 4.340 0.003 0.000 0.204 406 L C 2.616 179.241 176.870 -0.407 0.000 1.080 406 L CA 1.916 56.354 54.840 -0.671 0.000 0.759 406 L CB -1.083 40.408 42.059 -0.947 0.000 0.914 406 L HN 0.321 nan 8.230 nan 0.000 0.439 407 A N -0.805 121.813 122.820 -0.338 0.000 1.940 407 A HA -0.240 4.082 4.320 0.003 0.000 0.219 407 A C 1.979 179.507 177.584 -0.093 0.000 1.176 407 A CA 2.121 54.053 52.037 -0.176 0.000 0.631 407 A CB -0.656 18.278 19.000 -0.110 0.000 0.814 407 A HN 0.471 nan 8.150 nan 0.000 0.446 408 D N -0.270 120.081 120.400 -0.082 0.000 2.137 408 D HA -0.019 4.622 4.640 0.003 0.000 0.202 408 D C 1.942 178.354 176.300 0.187 0.000 0.970 408 D CA 0.843 54.898 54.000 0.090 0.000 0.837 408 D CB -0.276 40.614 40.800 0.150 0.000 0.981 408 D HN 0.502 nan 8.370 nan 0.000 0.475 409 I N 1.075 121.580 120.570 -0.108 0.000 2.179 409 I HA -0.242 3.929 4.170 0.003 0.000 0.242 409 I C 2.393 178.547 176.117 0.062 0.000 1.088 409 I CA 1.315 62.520 61.300 -0.158 0.000 1.357 409 I CB -0.346 37.388 38.000 -0.443 0.000 1.051 409 I HN 0.020 nan 8.210 nan 0.000 0.409 410 S N 0.254 115.946 115.700 -0.013 0.000 2.425 410 S HA 0.080 4.552 4.470 0.003 0.000 0.225 410 S C 1.835 176.474 174.600 0.066 0.000 1.024 410 S CA 0.672 58.873 58.200 0.001 0.000 0.951 410 S CB 0.166 63.303 63.200 -0.105 0.000 0.796 410 S HN 0.605 nan 8.310 nan 0.000 0.498 411 G N 0.048 108.850 108.800 0.004 0.000 2.159 411 G HA2 -0.245 3.717 3.960 0.003 0.000 0.256 411 G HA3 -0.245 3.717 3.960 0.003 0.000 0.256 411 G C -0.125 174.657 174.900 -0.198 0.000 0.977 411 G CA 0.307 45.219 45.100 -0.313 0.000 0.652 411 G HN 0.635 nan 8.290 nan 0.000 0.531 412 Q N 0.064 119.809 119.800 -0.092 0.000 2.256 412 Q HA 0.598 4.939 4.340 0.003 0.000 0.257 412 Q C 0.292 176.267 176.000 -0.042 0.000 0.936 412 Q CA -0.439 55.333 55.803 -0.052 0.000 0.903 412 Q CB 1.084 29.822 28.738 0.000 0.000 1.263 412 Q HN 0.502 nan 8.270 nan 0.000 0.440 413 Q N 2.705 122.490 119.800 -0.024 0.000 2.337 413 Q HA 0.259 4.601 4.340 0.003 0.000 0.270 413 Q C -1.223 174.795 176.000 0.028 0.000 1.002 413 Q CA 0.108 55.912 55.803 0.002 0.000 0.888 413 Q CB 0.480 29.218 28.738 -0.001 0.000 1.222 413 Q HN 0.600 nan 8.270 nan 0.000 0.400 414 L N 4.407 125.667 121.223 0.062 0.000 2.342 414 L HA 0.369 4.711 4.340 0.003 0.000 0.276 414 L C -1.162 175.797 176.870 0.148 0.000 0.997 414 L CA -0.912 53.979 54.840 0.085 0.000 0.838 414 L CB 1.704 43.781 42.059 0.030 0.000 1.224 414 L HN 0.637 nan 8.230 nan 0.000 0.416 415 D N 2.795 123.269 120.400 0.124 0.000 2.380 415 D HA 0.093 4.734 4.640 0.003 0.000 0.230 415 D C -0.503 175.910 176.300 0.187 0.000 1.154 415 D CA -0.093 53.983 54.000 0.127 0.000 0.859 415 D CB 1.138 41.980 40.800 0.071 0.000 1.045 415 D HN 0.225 nan 8.370 nan 0.000 0.495 416 Y N 3.603 123.956 120.300 0.089 0.000 2.436 416 Y HA 0.220 4.772 4.550 0.003 0.000 0.343 416 Y C -0.060 175.873 175.900 0.055 0.000 1.008 416 Y CA -0.373 57.779 58.100 0.087 0.000 1.241 416 Y CB 0.370 38.914 38.460 0.140 0.000 1.153 416 Y HN 0.143 nan 8.280 nan 0.000 0.521 417 R N 2.979 123.336 120.500 -0.238 0.000 2.778 417 R HA 0.511 4.852 4.340 0.003 0.000 0.277 417 R C -0.678 175.367 176.300 -0.425 0.000 0.977 417 R CA -0.993 54.931 56.100 -0.293 0.000 0.950 417 R CB 1.466 31.697 30.300 -0.114 0.000 1.165 417 R HN 0.644 nan 8.270 nan 0.000 0.474 418 T N -0.715 113.643 114.554 -0.327 0.000 2.771 418 T HA 0.545 4.896 4.350 0.003 0.000 0.291 418 T C 0.778 175.400 174.700 -0.130 0.000 0.954 418 T CA -0.380 61.572 62.100 -0.248 0.000 1.045 418 T CB 1.402 70.153 68.868 -0.196 0.000 0.917 418 T HN 0.874 nan 8.240 nan 0.000 0.484 419 G N 1.318 110.064 108.800 -0.090 0.000 2.263 419 G HA2 0.112 4.073 3.960 0.003 0.000 0.207 419 G HA3 0.112 4.073 3.960 0.003 0.000 0.207 419 G C 0.496 175.371 174.900 -0.041 0.000 1.072 419 G CA -0.350 44.717 45.100 -0.056 0.000 0.800 419 G HN 1.135 nan 8.290 nan 0.000 0.491 420 G N 0.714 109.498 108.800 -0.026 0.000 3.383 420 G HA2 0.317 4.279 3.960 0.003 0.000 0.251 420 G HA3 0.317 4.279 3.960 0.003 0.000 0.251 420 G C 1.103 176.001 174.900 -0.004 0.000 1.203 420 G CA 0.938 46.029 45.100 -0.015 0.000 0.852 420 G HN 0.640 nan 8.290 nan 0.000 0.531 421 D N 0.198 120.595 120.400 -0.005 0.000 2.310 421 D HA -0.113 4.529 4.640 0.003 0.000 0.212 421 D C 1.906 178.197 176.300 -0.014 0.000 0.965 421 D CA 0.614 54.614 54.000 -0.001 0.000 0.879 421 D CB 0.007 40.808 40.800 0.002 0.000 0.921 421 D HN 0.256 nan 8.370 nan 0.000 0.510 422 V N 0.243 120.141 119.914 -0.026 0.000 2.426 422 V HA 0.297 4.418 4.120 0.003 0.000 0.242 422 V C 1.794 177.862 176.094 -0.043 0.000 1.036 422 V CA 1.034 63.313 62.300 -0.036 0.000 1.044 422 V CB -0.740 31.057 31.823 -0.044 0.000 0.688 422 V HN 0.668 nan 8.190 nan 0.000 0.462 423 G N -0.012 108.758 108.800 -0.050 0.000 2.416 423 G HA2 -0.118 3.844 3.960 0.003 0.000 0.203 423 G HA3 -0.118 3.844 3.960 0.003 0.000 0.203 423 G C -2.407 172.445 174.900 -0.081 0.000 1.227 423 G CA -0.080 44.985 45.100 -0.060 0.000 1.041 423 G HN 0.160 nan 8.290 nan 0.000 0.546 424 P HA 0.182 nan 4.420 nan 0.000 0.222 424 P C 2.180 179.423 177.300 -0.096 0.000 1.153 424 P CA 2.434 65.470 63.100 -0.107 0.000 0.798 424 P CB -0.160 31.472 31.700 -0.113 0.000 0.796 425 A N -0.009 122.761 122.820 -0.082 0.000 1.986 425 A HA -0.210 4.112 4.320 0.003 0.000 0.220 425 A C 2.057 179.598 177.584 -0.071 0.000 1.171 425 A CA 1.537 53.529 52.037 -0.074 0.000 0.640 425 A CB -1.595 17.364 19.000 -0.069 0.000 0.811 425 A HN 0.178 nan 8.150 nan 0.000 0.451 426 L N -0.087 121.092 121.223 -0.073 0.000 2.141 426 L HA 0.050 4.391 4.340 0.003 0.000 0.209 426 L C 2.309 179.127 176.870 -0.087 0.000 1.094 426 L CA 2.112 56.908 54.840 -0.073 0.000 0.763 426 L CB -1.105 40.912 42.059 -0.071 0.000 0.908 426 L HN 0.275 nan 8.230 nan 0.000 0.437 427 G N -0.890 107.850 108.800 -0.099 0.000 2.433 427 G HA2 -0.239 3.722 3.960 0.003 0.000 0.216 427 G HA3 -0.239 3.722 3.960 0.003 0.000 0.216 427 G C 1.631 176.466 174.900 -0.107 0.000 1.186 427 G CA 0.880 45.912 45.100 -0.113 0.000 0.779 427 G HN 0.616 nan 8.290 nan 0.000 0.543 428 A N 1.421 124.185 122.820 -0.093 0.000 1.884 428 A HA 0.074 4.395 4.320 0.003 0.000 0.219 428 A C 2.852 180.395 177.584 -0.068 0.000 1.197 428 A CA 2.878 54.869 52.037 -0.077 0.000 0.637 428 A CB -1.069 17.893 19.000 -0.063 0.000 0.827 428 A HN 0.976 nan 8.150 nan 0.000 0.450 429 A N -1.160 121.625 122.820 -0.059 0.000 1.978 429 A HA -0.166 4.155 4.320 0.003 0.000 0.220 429 A C 2.255 179.761 177.584 -0.131 0.000 1.170 429 A CA 1.551 53.562 52.037 -0.043 0.000 0.636 429 A CB -0.456 18.535 19.000 -0.015 0.000 0.810 429 A HN 0.435 nan 8.150 nan 0.000 0.448 430 R N -0.483 119.933 120.500 -0.140 0.000 2.066 430 R HA -0.028 4.314 4.340 0.003 0.000 0.232 430 R C 2.106 178.296 176.300 -0.184 0.000 1.131 430 R CA 1.341 57.333 56.100 -0.180 0.000 0.955 430 R CB -0.926 29.288 30.300 -0.143 0.000 0.851 430 R HN 0.600 nan 8.270 nan 0.000 0.432 431 L N 0.306 121.442 121.223 -0.144 0.000 2.079 431 L HA -0.176 4.166 4.340 0.003 0.000 0.210 431 L C 2.633 179.432 176.870 -0.120 0.000 1.081 431 L CA 1.361 56.124 54.840 -0.129 0.000 0.752 431 L CB -0.612 41.380 42.059 -0.112 0.000 0.896 431 L HN 0.173 nan 8.230 nan 0.000 0.433 432 A N -0.634 122.120 122.820 -0.111 0.000 1.902 432 A HA -0.237 4.084 4.320 0.003 0.000 0.217 432 A C 2.240 179.736 177.584 -0.147 0.000 1.181 432 A CA 1.423 53.424 52.037 -0.060 0.000 0.623 432 A CB -0.422 18.602 19.000 0.040 0.000 0.818 432 A HN 0.455 nan 8.150 nan 0.000 0.443 433 Q N -0.611 118.936 119.800 -0.421 0.000 2.124 433 Q HA -0.121 4.221 4.340 0.003 0.000 0.202 433 Q C 1.997 177.842 176.000 -0.259 0.000 0.977 433 Q CA 1.450 56.866 55.803 -0.644 0.000 0.850 433 Q CB -0.311 27.976 28.738 -0.751 0.000 0.901 433 Q HN 0.769 nan 8.270 nan 0.000 0.429 434 I N 0.241 120.699 120.570 -0.186 0.000 2.286 434 I HA -0.258 3.913 4.170 0.003 0.000 0.248 434 I C 2.353 178.430 176.117 -0.067 0.000 1.115 434 I CA 0.948 62.181 61.300 -0.113 0.000 1.392 434 I CB -0.346 37.590 38.000 -0.107 0.000 1.065 434 I HN 0.142 nan 8.210 nan 0.000 0.418 435 A N 0.675 123.462 122.820 -0.055 0.000 1.897 435 A HA -0.031 4.291 4.320 0.003 0.000 0.215 435 A C 2.522 180.111 177.584 0.008 0.000 1.181 435 A CA 1.497 53.522 52.037 -0.020 0.000 0.620 435 A CB -0.699 18.291 19.000 -0.017 0.000 0.821 435 A HN 0.398 nan 8.150 nan 0.000 0.443 436 A N -0.142 122.700 122.820 0.037 0.000 2.015 436 A HA -0.055 4.266 4.320 0.003 0.000 0.219 436 A C 0.706 178.329 177.584 0.065 0.000 1.163 436 A CA 1.341 53.434 52.037 0.093 0.000 0.646 436 A CB -0.391 18.763 19.000 0.258 0.000 0.806 436 A HN 0.562 nan 8.150 nan 0.000 0.448 437 N N -0.289 118.427 118.700 0.026 0.000 2.918 437 N HA 0.239 4.981 4.740 0.003 0.000 0.270 437 N C -2.297 173.210 175.510 -0.004 0.000 1.536 437 N CA -1.281 51.779 53.050 0.016 0.000 0.877 437 N CB 1.263 39.756 38.487 0.010 0.000 1.190 437 N HN 0.211 nan 8.380 nan 0.000 0.492 438 P HA -0.192 nan 4.420 nan 0.000 0.225 438 P C 0.784 178.081 177.300 -0.006 0.000 1.148 438 P CA 1.214 64.311 63.100 -0.005 0.000 0.779 438 P CB 0.519 32.220 31.700 0.001 0.000 0.780 439 E N 1.070 121.269 120.200 -0.002 0.000 2.250 439 E HA -0.030 4.322 4.350 0.003 0.000 0.192 439 E C 0.405 177.001 176.600 -0.006 0.000 0.986 439 E CA 0.455 56.853 56.400 -0.003 0.000 0.849 439 E CB -0.376 29.325 29.700 0.001 0.000 0.797 439 E HN 0.254 nan 8.360 nan 0.000 0.482 440 K N 1.824 122.218 120.400 -0.010 0.000 2.202 440 K HA 0.185 4.507 4.320 0.003 0.000 0.264 440 K C 0.627 177.214 176.600 -0.021 0.000 1.010 440 K CA 0.054 56.332 56.287 -0.015 0.000 0.940 440 K CB 0.931 33.420 32.500 -0.018 0.000 0.983 440 K HN 0.148 nan 8.250 nan 0.000 0.475 441 S N 1.179 116.866 115.700 -0.021 0.000 2.686 441 S HA 0.203 4.675 4.470 0.003 0.000 0.270 441 S C 1.218 175.799 174.600 -0.033 0.000 1.194 441 S CA -0.793 57.394 58.200 -0.023 0.000 0.990 441 S CB 0.398 63.588 63.200 -0.016 0.000 1.029 441 S HN 0.567 nan 8.310 nan 0.000 0.560 442 L N 0.237 121.441 121.223 -0.033 0.000 2.270 442 L HA 0.041 4.383 4.340 0.003 0.000 0.210 442 L C 2.272 179.121 176.870 -0.035 0.000 1.104 442 L CA 0.332 55.147 54.840 -0.041 0.000 0.804 442 L CB -0.564 41.472 42.059 -0.040 0.000 0.937 442 L HN 0.627 nan 8.230 nan 0.000 0.450 443 I N 1.228 121.784 120.570 -0.024 0.000 2.185 443 I HA -0.310 3.862 4.170 0.003 0.000 0.246 443 I C 2.510 178.612 176.117 -0.024 0.000 1.088 443 I CA 2.007 63.296 61.300 -0.019 0.000 1.347 443 I CB -0.773 37.220 38.000 -0.013 0.000 1.041 443 I HN 0.512 nan 8.210 nan 0.000 0.415 444 E N 0.216 120.400 120.200 -0.027 0.000 2.230 444 E HA -0.066 4.285 4.350 0.003 0.000 0.192 444 E C 2.219 178.794 176.600 -0.040 0.000 0.987 444 E CA 0.607 56.990 56.400 -0.028 0.000 0.841 444 E CB -0.193 29.493 29.700 -0.023 0.000 0.783 444 E HN 0.429 nan 8.360 nan 0.000 0.481 445 L N 0.439 121.631 121.223 -0.052 0.000 2.298 445 L HA 0.157 4.498 4.340 0.003 0.000 0.209 445 L C 1.011 177.831 176.870 -0.083 0.000 1.084 445 L CA 0.312 55.106 54.840 -0.077 0.000 0.816 445 L CB 0.239 42.244 42.059 -0.091 0.000 0.967 445 L HN 0.100 nan 8.230 nan 0.000 0.460 446 L N 1.680 122.864 121.223 -0.067 0.000 2.599 446 L HA 0.335 4.677 4.340 0.003 0.000 0.241 446 L C -2.171 174.672 176.870 -0.044 0.000 1.207 446 L CA -1.742 53.061 54.840 -0.062 0.000 0.987 446 L CB -0.029 41.993 42.059 -0.061 0.000 1.318 446 L HN -0.085 nan 8.230 nan 0.000 0.458 447 P HA 0.027 nan 4.420 nan 0.000 0.270 447 P C -0.641 176.638 177.300 -0.034 0.000 1.227 447 P CA -0.010 63.069 63.100 -0.034 0.000 0.788 447 P CB 0.732 32.410 31.700 -0.035 0.000 0.926 448 Q N 0.059 119.843 119.800 -0.027 0.000 2.260 448 Q HA 0.366 4.707 4.340 0.003 0.000 0.238 448 Q C 0.169 176.147 176.000 -0.036 0.000 0.948 448 Q CA -0.971 54.816 55.803 -0.027 0.000 0.895 448 Q CB 0.567 29.296 28.738 -0.016 0.000 1.218 448 Q HN 0.357 nan 8.270 nan 0.000 0.470 449 L N 1.806 123.004 121.223 -0.042 0.000 2.482 449 L HA 0.118 4.459 4.340 0.003 0.000 0.273 449 L C -2.027 174.808 176.870 -0.059 0.000 1.228 449 L CA -1.637 53.169 54.840 -0.056 0.000 0.827 449 L CB -0.385 41.633 42.059 -0.068 0.000 1.099 449 L HN 0.336 nan 8.230 nan 0.000 0.494 450 P HA 0.032 nan 4.420 nan 0.000 0.268 450 P C -0.560 176.691 177.300 -0.082 0.000 1.204 450 P CA -0.201 62.861 63.100 -0.065 0.000 0.768 450 P CB 0.452 32.113 31.700 -0.064 0.000 0.842 451 L N 3.189 124.378 121.223 -0.057 0.000 2.433 451 L HA 0.019 4.360 4.340 0.003 0.000 0.275 451 L C 1.448 178.283 176.870 -0.058 0.000 1.128 451 L CA 0.243 55.053 54.840 -0.050 0.000 0.875 451 L CB 0.662 42.707 42.059 -0.024 0.000 1.171 451 L HN 0.463 nan 8.230 nan 0.000 0.463 452 E N 3.929 124.073 120.200 -0.095 0.000 2.102 452 E HA 0.014 4.366 4.350 0.003 0.000 0.190 452 E C -0.004 176.632 176.600 0.060 0.000 0.971 452 E CA 0.709 57.071 56.400 -0.063 0.000 0.821 452 E CB 0.449 29.997 29.700 -0.253 0.000 0.777 452 E HN 0.665 nan 8.360 nan 0.000 0.460 453 Q N -0.633 119.230 119.800 0.105 0.000 2.574 453 Q HA 0.258 4.600 4.340 0.003 0.000 0.265 453 Q C -1.884 174.119 176.000 0.005 0.000 0.975 453 Q CA -0.391 55.444 55.803 0.052 0.000 0.923 453 Q CB 1.607 30.395 28.738 0.084 0.000 1.518 453 Q HN 0.066 nan 8.270 nan 0.000 0.401 454 S N 1.973 117.602 115.700 -0.117 0.000 2.433 454 S HA 0.437 4.908 4.470 0.003 0.000 0.310 454 S C -1.335 173.122 174.600 -0.238 0.000 1.097 454 S CA -0.429 57.715 58.200 -0.093 0.000 1.103 454 S CB 0.400 63.573 63.200 -0.045 0.000 0.992 454 S HN 0.524 nan 8.310 nan 0.000 0.469 455 H N 5.534 124.610 119.070 0.010 0.000 2.597 455 H HA 0.331 4.889 4.556 0.003 0.000 0.303 455 H C -0.357 174.954 175.328 -0.028 0.000 1.057 455 H CA -0.259 55.778 56.048 -0.018 0.000 1.261 455 H CB 0.671 30.403 29.762 -0.050 0.000 1.397 455 H HN 0.474 nan 8.280 nan 0.000 0.461 456 L N 5.639 126.890 121.223 0.045 0.000 2.312 456 L HA 0.283 4.625 4.340 0.003 0.000 0.281 456 L C -2.034 174.848 176.870 0.020 0.000 1.070 456 L CA -2.045 52.805 54.840 0.017 0.000 0.805 456 L CB 0.903 42.960 42.059 -0.003 0.000 1.174 456 L HN 0.297 nan 8.230 nan 0.000 0.434 457 P HA -0.021 nan 4.420 nan 0.000 0.267 457 P C -0.855 176.453 177.300 0.014 0.000 1.205 457 P CA -0.116 62.975 63.100 -0.015 0.000 0.765 457 P CB 0.413 32.055 31.700 -0.096 0.000 0.828 458 D N 2.753 123.188 120.400 0.057 0.000 2.325 458 D HA 0.213 4.854 4.640 0.003 0.000 0.251 458 D C 1.201 177.568 176.300 0.111 0.000 1.196 458 D CA -0.174 53.868 54.000 0.071 0.000 0.866 458 D CB 0.968 41.814 40.800 0.077 0.000 1.101 458 D HN 0.263 nan 8.370 nan 0.000 0.476 459 A N 4.216 127.087 122.820 0.086 0.000 1.892 459 A HA -0.276 4.045 4.320 0.003 0.000 0.218 459 A C 1.941 179.618 177.584 0.155 0.000 1.188 459 A CA 1.715 53.826 52.037 0.124 0.000 0.631 459 A CB -0.505 18.540 19.000 0.074 0.000 0.822 459 A HN 0.764 nan 8.150 nan 0.000 0.447 460 Q N -0.994 118.864 119.800 0.095 0.000 1.993 460 Q HA -0.130 4.212 4.340 0.003 0.000 0.202 460 Q C 2.435 178.469 176.000 0.056 0.000 0.984 460 Q CA 1.385 57.225 55.803 0.063 0.000 0.837 460 Q CB -0.245 28.514 28.738 0.035 0.000 0.902 460 Q HN 0.520 nan 8.270 nan 0.000 0.423 461 R N -0.212 120.329 120.500 0.068 0.000 2.127 461 R HA -0.195 4.147 4.340 0.003 0.000 0.238 461 R C 2.194 178.589 176.300 0.158 0.000 1.134 461 R CA 1.357 57.485 56.100 0.048 0.000 0.975 461 R CB -0.479 29.887 30.300 0.110 0.000 0.865 461 R HN 0.362 nan 8.270 nan 0.000 0.447 462 Y N 1.286 121.653 120.300 0.112 0.000 2.070 462 Y HA -0.238 4.314 4.550 0.003 0.000 0.279 462 Y C 2.359 178.326 175.900 0.112 0.000 1.134 462 Y CA 1.451 59.634 58.100 0.138 0.000 1.113 462 Y CB -0.720 37.784 38.460 0.073 0.000 0.981 462 Y HN 0.044 nan 8.280 nan 0.000 0.487 463 A N 0.740 123.519 122.820 -0.068 0.000 1.948 463 A HA -0.207 4.115 4.320 0.003 0.000 0.220 463 A C 2.427 179.925 177.584 -0.143 0.000 1.177 463 A CA 2.318 54.264 52.037 -0.151 0.000 0.636 463 A CB -1.600 17.401 19.000 0.001 0.000 0.815 463 A HN 0.693 nan 8.150 nan 0.000 0.449 464 A N -1.710 121.045 122.820 -0.109 0.000 1.902 464 A HA -0.089 4.233 4.320 0.003 0.000 0.217 464 A C 2.050 179.542 177.584 -0.153 0.000 1.181 464 A CA 1.440 53.386 52.037 -0.151 0.000 0.623 464 A CB -0.742 18.123 19.000 -0.226 0.000 0.818 464 A HN 0.637 nan 8.150 nan 0.000 0.443 465 Y N -0.379 119.880 120.300 -0.069 0.000 2.509 465 Y HA -0.124 4.428 4.550 0.003 0.000 0.293 465 Y C 2.737 178.559 175.900 -0.130 0.000 1.133 465 Y CA 0.810 58.894 58.100 -0.025 0.000 1.283 465 Y CB 0.137 38.626 38.460 0.049 0.000 1.001 465 Y HN 0.301 nan 8.280 nan 0.000 0.555 466 Q N 0.225 119.966 119.800 -0.098 0.000 2.084 466 Q HA -0.143 4.199 4.340 0.003 0.000 0.202 466 Q C -0.590 175.353 176.000 -0.095 0.000 0.978 466 Q CA 1.463 57.160 55.803 -0.176 0.000 0.844 466 Q CB -1.507 27.067 28.738 -0.273 0.000 0.898 466 Q HN 0.428 nan 8.270 nan 0.000 0.426 467 P HA -0.025 nan 4.420 nan 0.000 0.227 467 P C 0.936 178.249 177.300 0.022 0.000 1.161 467 P CA 0.947 64.037 63.100 -0.016 0.000 0.788 467 P CB -0.069 31.635 31.700 0.007 0.000 0.822 468 R N -0.116 120.414 120.500 0.050 0.000 2.093 468 R HA 0.087 4.429 4.340 0.003 0.000 0.224 468 R C 2.618 178.820 176.300 -0.163 0.000 1.101 468 R CA 0.719 56.911 56.100 0.154 0.000 0.979 468 R CB -0.253 30.188 30.300 0.235 0.000 0.877 468 R HN 0.125 nan 8.270 nan 0.000 0.441 469 R N 0.645 120.927 120.500 -0.365 0.000 2.091 469 R HA -0.171 4.171 4.340 0.003 0.000 0.238 469 R C 2.146 178.365 176.300 -0.134 0.000 1.136 469 R CA 1.488 57.357 56.100 -0.386 0.000 0.959 469 R CB -0.198 29.954 30.300 -0.245 0.000 0.856 469 R HN 0.316 nan 8.270 nan 0.000 0.437 470 E N -0.221 119.915 120.200 -0.106 0.000 2.110 470 E HA -0.154 4.197 4.350 0.003 0.000 0.193 470 E C 1.425 177.946 176.600 -0.131 0.000 0.988 470 E CA 1.483 57.829 56.400 -0.091 0.000 0.804 470 E CB 0.174 29.830 29.700 -0.073 0.000 0.745 470 E HN 0.247 nan 8.360 nan 0.000 0.458 471 T N 0.231 114.685 114.554 -0.167 0.000 2.951 471 T HA -0.102 4.250 4.350 0.003 0.000 0.268 471 T C 1.259 175.658 174.700 -0.502 0.000 1.073 471 T CA 0.703 62.592 62.100 -0.353 0.000 1.134 471 T CB -0.263 68.352 68.868 -0.422 0.000 0.884 471 T HN 0.243 nan 8.240 nan 0.000 0.479 472 F N 2.171 121.849 119.950 -0.454 0.000 2.186 472 F HA 0.012 4.541 4.527 0.002 0.000 0.299 472 F C 2.268 177.952 175.800 -0.194 0.000 1.090 472 F CA 1.051 58.890 58.000 -0.268 0.000 1.307 472 F CB -0.057 38.889 39.000 -0.091 0.000 1.019 472 F HN -0.076 nan 8.300 nan 0.000 0.489 473 R N -0.140 120.231 120.500 -0.213 0.000 2.062 473 R HA -0.075 4.266 4.340 0.003 0.000 0.229 473 R C 2.468 178.638 176.300 -0.216 0.000 1.128 473 R CA 1.263 57.217 56.100 -0.242 0.000 0.960 473 R CB -0.481 29.750 30.300 -0.114 0.000 0.855 473 R HN 0.226 nan 8.270 nan 0.000 0.432 474 R N 0.892 121.263 120.500 -0.215 0.000 2.083 474 R HA -0.117 4.224 4.340 0.003 0.000 0.237 474 R C 2.306 178.451 176.300 -0.257 0.000 1.137 474 R CA 1.412 57.389 56.100 -0.207 0.000 0.951 474 R CB -0.291 29.887 30.300 -0.204 0.000 0.851 474 R HN 0.197 nan 8.270 nan 0.000 0.434 475 L N -0.694 120.305 121.223 -0.373 0.000 2.083 475 L HA -0.220 4.121 4.340 0.003 0.000 0.209 475 L C 2.292 178.975 176.870 -0.312 0.000 1.083 475 L CA 1.296 55.879 54.840 -0.428 0.000 0.752 475 L CB -0.477 41.223 42.059 -0.599 0.000 0.899 475 L HN 0.332 nan 8.230 nan 0.000 0.433 476 Y N 0.427 120.427 120.300 -0.499 0.000 2.200 476 Y HA -0.243 4.309 4.550 0.003 0.000 0.290 476 Y C 2.734 178.545 175.900 -0.147 0.000 1.137 476 Y CA 1.410 59.248 58.100 -0.437 0.000 1.163 476 Y CB 0.084 38.045 38.460 -0.832 0.000 0.988 476 Y HN 0.136 nan 8.280 nan 0.000 0.518 477 Q N 0.183 119.977 119.800 -0.011 0.000 2.297 477 Q HA -0.158 4.184 4.340 0.003 0.000 0.204 477 Q C 1.924 177.866 176.000 -0.097 0.000 0.962 477 Q CA 1.270 57.057 55.803 -0.026 0.000 0.879 477 Q CB -0.054 28.675 28.738 -0.016 0.000 0.947 477 Q HN 0.697 nan 8.270 nan 0.000 0.462 478 Q N -0.448 119.272 119.800 -0.133 0.000 2.269 478 Q HA 0.068 4.410 4.340 0.003 0.000 0.201 478 Q C 1.692 177.604 176.000 -0.147 0.000 0.946 478 Q CA 0.519 56.237 55.803 -0.141 0.000 0.877 478 Q CB 0.422 29.056 28.738 -0.172 0.000 0.963 478 Q HN 0.303 nan 8.270 nan 0.000 0.472 479 L N -0.127 120.999 121.223 -0.161 0.000 2.590 479 L HA 0.078 4.420 4.340 0.003 0.000 0.227 479 L C 1.985 178.649 176.870 -0.343 0.000 1.099 479 L CA 0.034 54.756 54.840 -0.197 0.000 0.872 479 L CB -0.233 41.739 42.059 -0.145 0.000 1.088 479 L HN 0.260 nan 8.230 nan 0.000 0.479 480 L N 1.551 122.581 121.223 -0.321 0.000 2.064 480 L HA -0.206 4.136 4.340 0.003 0.000 0.216 480 L C -0.188 176.482 176.870 -0.334 0.000 1.077 480 L CA 2.102 56.708 54.840 -0.390 0.000 0.766 480 L CB -1.006 40.933 42.059 -0.199 0.000 0.890 480 L HN 0.230 nan 8.230 nan 0.000 0.435 481 P HA -0.124 nan 4.420 nan 0.000 0.217 481 P C 1.564 178.754 177.300 -0.185 0.000 1.151 481 P CA 0.990 63.987 63.100 -0.171 0.000 0.828 481 P CB -0.011 31.615 31.700 -0.123 0.000 0.788 482 L N -2.070 119.028 121.223 -0.208 0.000 2.622 482 L HA -0.018 4.324 4.340 0.003 0.000 0.233 482 L C 2.104 178.828 176.870 -0.243 0.000 1.156 482 L CA 1.343 56.072 54.840 -0.185 0.000 0.866 482 L CB -1.161 40.803 42.059 -0.158 0.000 0.980 482 L HN -0.042 nan 8.230 nan 0.000 0.448 483 M N -1.453 117.944 119.600 -0.338 0.000 2.369 483 M HA 0.352 4.834 4.480 0.003 0.000 0.254 483 M C 0.918 177.074 176.300 -0.239 0.000 1.136 483 M CA 0.797 55.862 55.300 -0.391 0.000 1.190 483 M CB -0.683 31.495 32.600 -0.703 0.000 1.289 483 M HN 0.090 nan 8.290 nan 0.000 0.468 484 A N 0.000 122.707 122.820 -0.188 0.000 2.254 484 A HA 0.000 4.322 4.320 0.003 0.000 0.244 484 A CA 0.000 51.966 52.037 -0.119 0.000 0.836 484 A CB 0.000 18.941 19.000 -0.099 0.000 0.831 484 A HN 0.000 nan 8.150 nan 0.000 0.486