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 2itm_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 0.000 175.702 176.300 -0.997 0.000 1.140 1 M CA 0.000 54.931 55.300 -0.615 0.000 0.988 1 M CB 0.000 32.437 32.600 -0.272 0.000 1.302 2 Y N 0.688 120.959 120.300 -0.049 0.000 2.534 2 Y HA 0.703 5.253 4.550 -0.000 0.000 0.345 2 Y C -0.397 175.469 175.900 -0.057 0.000 1.031 2 Y CA -1.015 57.058 58.100 -0.045 0.000 1.022 2 Y CB 1.733 40.166 38.460 -0.046 0.000 1.292 2 Y HN 0.379 nan 8.280 nan 0.000 0.459 3 I N 2.068 122.696 120.570 0.096 0.000 2.404 3 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 3 I C 0.278 176.403 176.117 0.014 0.000 0.992 3 I CA -0.501 60.810 61.300 0.019 0.000 1.149 3 I CB 1.487 39.477 38.000 -0.016 0.000 1.315 3 I HN 0.822 nan 8.210 nan 0.000 0.446 4 G N 6.757 115.544 108.800 -0.023 0.000 2.470 4 G HA2 0.735 4.695 3.960 -0.000 0.000 0.320 4 G HA3 0.735 4.695 3.960 -0.000 0.000 0.320 4 G C -0.822 174.040 174.900 -0.064 0.000 1.245 4 G CA -0.389 44.687 45.100 -0.041 0.000 0.935 4 G HN 0.458 nan 8.290 nan 0.000 0.476 5 I N 1.437 121.970 120.570 -0.061 0.000 2.404 5 I HA 0.295 4.465 4.170 -0.000 0.000 0.293 5 I C -1.017 175.059 176.117 -0.068 0.000 0.992 5 I CA -0.696 60.560 61.300 -0.073 0.000 1.149 5 I CB 2.339 40.302 38.000 -0.061 0.000 1.315 5 I HN 0.362 nan 8.210 nan 0.000 0.446 6 D N 6.817 127.173 120.400 -0.074 0.000 2.462 6 D HA 0.257 4.897 4.640 -0.000 0.000 0.245 6 D C -0.872 175.379 176.300 -0.081 0.000 1.122 6 D CA -0.346 53.607 54.000 -0.079 0.000 0.864 6 D CB 1.246 42.000 40.800 -0.076 0.000 1.098 6 D HN 0.395 nan 8.370 nan 0.000 0.541 7 L N 4.464 125.623 121.223 -0.105 0.000 2.401 7 L HA 0.465 4.805 4.340 -0.000 0.000 0.283 7 L C 0.816 177.600 176.870 -0.143 0.000 1.151 7 L CA -0.298 54.456 54.840 -0.143 0.000 0.942 7 L CB -0.066 41.849 42.059 -0.240 0.000 1.283 7 L HN 0.507 nan 8.230 nan 0.000 0.442 8 G N 1.994 110.748 108.800 -0.076 0.000 2.535 8 G HA2 0.211 4.171 3.960 -0.000 0.000 0.282 8 G HA3 0.211 4.171 3.960 -0.000 0.000 0.282 8 G C 0.697 175.616 174.900 0.032 0.000 1.350 8 G CA -0.003 45.078 45.100 -0.032 0.000 1.039 8 G HN 0.545 nan 8.290 nan 0.000 0.509 9 T N -0.194 114.434 114.554 0.124 0.000 2.976 9 T HA -0.036 4.314 4.350 -0.000 0.000 0.257 9 T C 2.483 177.297 174.700 0.190 0.000 1.051 9 T CA 1.501 63.741 62.100 0.234 0.000 1.141 9 T CB -0.091 69.022 68.868 0.407 0.000 0.881 9 T HN 0.573 nan 8.240 nan 0.000 0.461 10 S N 0.101 115.887 115.700 0.143 0.000 2.540 10 S HA 0.567 5.037 4.470 -0.000 0.000 0.218 10 S C 0.756 175.411 174.600 0.091 0.000 0.977 10 S CA -0.027 58.244 58.200 0.118 0.000 0.918 10 S CB 0.618 63.880 63.200 0.104 0.000 0.806 10 S HN 0.628 nan 8.310 nan 0.000 0.496 11 G N 0.613 109.462 108.800 0.081 0.000 2.356 11 G HA2 0.446 4.406 3.960 -0.000 0.000 0.294 11 G HA3 0.446 4.406 3.960 -0.000 0.000 0.294 11 G C -1.300 173.621 174.900 0.035 0.000 1.423 11 G CA -0.185 44.951 45.100 0.061 0.000 0.806 11 G HN 0.936 nan 8.290 nan 0.000 0.527 12 V N -1.797 118.129 119.914 0.020 0.000 2.532 12 V HA 0.891 5.011 4.120 -0.000 0.000 0.295 12 V C -0.167 175.904 176.094 -0.037 0.000 1.041 12 V CA -1.000 61.291 62.300 -0.016 0.000 0.926 12 V CB 1.582 33.394 31.823 -0.019 0.000 0.992 12 V HN 0.910 nan 8.190 nan 0.000 0.457 13 K N 3.698 124.066 120.400 -0.053 0.000 2.345 13 K HA 0.748 5.068 4.320 -0.000 0.000 0.255 13 K C -1.064 175.486 176.600 -0.085 0.000 0.934 13 K CA -0.683 55.567 56.287 -0.062 0.000 0.801 13 K CB 2.160 34.630 32.500 -0.051 0.000 1.137 13 K HN 1.085 nan 8.250 nan 0.000 0.424 14 V N 3.381 123.233 119.914 -0.103 0.000 2.628 14 V HA 0.720 4.840 4.120 -0.000 0.000 0.306 14 V C -0.392 175.641 176.094 -0.102 0.000 1.045 14 V CA -0.806 61.420 62.300 -0.122 0.000 0.905 14 V CB 1.150 32.861 31.823 -0.187 0.000 0.997 14 V HN 0.804 nan 8.190 nan 0.000 0.436 15 I N 2.176 122.692 120.570 -0.090 0.000 2.892 15 I HA 0.670 4.840 4.170 -0.000 0.000 0.306 15 I C -1.394 174.680 176.117 -0.072 0.000 1.078 15 I CA -1.063 60.191 61.300 -0.075 0.000 1.032 15 I CB 2.406 40.369 38.000 -0.061 0.000 1.229 15 I HN 0.717 nan 8.210 nan 0.000 0.435 16 L N 5.712 126.889 121.223 -0.076 0.000 2.319 16 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 16 L C -1.204 175.625 176.870 -0.069 0.000 1.005 16 L CA -0.707 54.082 54.840 -0.085 0.000 0.828 16 L CB 1.584 43.560 42.059 -0.137 0.000 1.227 16 L HN 0.669 nan 8.230 nan 0.000 0.415 17 L N 4.968 126.186 121.223 -0.008 0.000 2.325 17 L HA 0.376 4.716 4.340 -0.000 0.000 0.279 17 L C 0.491 177.386 176.870 0.042 0.000 1.054 17 L CA -0.514 54.348 54.840 0.036 0.000 0.804 17 L CB 1.867 43.992 42.059 0.110 0.000 1.200 17 L HN 0.718 nan 8.230 nan 0.000 0.436 18 N N 1.040 119.749 118.700 0.014 0.000 2.327 18 N HA 0.043 4.783 4.740 -0.000 0.000 0.257 18 N C 0.168 175.743 175.510 0.107 0.000 1.281 18 N CA -0.715 52.338 53.050 0.006 0.000 0.942 18 N CB 0.954 39.426 38.487 -0.025 0.000 1.199 18 N HN 0.469 nan 8.380 nan 0.000 0.532 19 E N -0.188 120.052 120.200 0.067 0.000 2.130 19 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 19 E C 1.460 178.128 176.600 0.114 0.000 0.998 19 E CA 1.618 58.097 56.400 0.131 0.000 0.806 19 E CB -0.268 29.465 29.700 0.056 0.000 0.738 19 E HN 0.582 nan 8.360 nan 0.000 0.459 20 Q N -0.424 119.409 119.800 0.055 0.000 2.444 20 Q HA 0.165 4.505 4.340 -0.000 0.000 0.206 20 Q C 1.097 177.105 176.000 0.012 0.000 0.948 20 Q CA 0.831 56.650 55.803 0.025 0.000 0.946 20 Q CB 0.240 28.983 28.738 0.009 0.000 1.027 20 Q HN 0.398 nan 8.270 nan 0.000 0.513 21 G N 1.041 109.859 108.800 0.030 0.000 2.132 21 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.228 21 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.228 21 G C -0.419 174.473 174.900 -0.013 0.000 1.000 21 G CA 0.107 45.205 45.100 -0.004 0.000 0.693 21 G HN 0.401 nan 8.290 nan 0.000 0.515 22 E N -0.572 119.624 120.200 -0.006 0.000 2.248 22 E HA 0.531 4.881 4.350 -0.000 0.000 0.272 22 E C 0.401 176.985 176.600 -0.028 0.000 1.008 22 E CA -0.932 55.455 56.400 -0.021 0.000 0.856 22 E CB 2.096 31.783 29.700 -0.022 0.000 1.120 22 E HN 0.104 nan 8.360 nan 0.000 0.397 23 V N 3.140 123.032 119.914 -0.036 0.000 2.470 23 V HA -0.032 4.088 4.120 -0.000 0.000 0.276 23 V C 0.742 176.803 176.094 -0.054 0.000 1.040 23 V CA 0.169 62.442 62.300 -0.045 0.000 1.008 23 V CB 1.016 32.814 31.823 -0.043 0.000 0.990 23 V HN 0.617 nan 8.190 nan 0.000 0.477 24 V N 3.798 123.664 119.914 -0.080 0.000 3.523 24 V HA 0.524 4.644 4.120 -0.000 0.000 0.255 24 V C 0.701 176.738 176.094 -0.096 0.000 1.226 24 V CA 1.183 63.419 62.300 -0.107 0.000 1.092 24 V CB 0.613 32.319 31.823 -0.195 0.000 0.817 24 V HN 0.979 nan 8.190 nan 0.000 0.458 25 A N -0.619 122.147 122.820 -0.089 0.000 2.599 25 A HA 0.885 5.205 4.320 -0.000 0.000 0.294 25 A C -1.097 176.450 177.584 -0.062 0.000 1.055 25 A CA 0.179 52.178 52.037 -0.063 0.000 0.683 25 A CB 1.350 20.317 19.000 -0.054 0.000 1.278 25 A HN 0.599 nan 8.150 nan 0.000 0.412 26 A N 0.355 123.144 122.820 -0.051 0.000 2.515 26 A HA 0.935 5.255 4.320 -0.000 0.000 0.296 26 A C -0.955 176.596 177.584 -0.055 0.000 1.094 26 A CA -0.538 51.466 52.037 -0.055 0.000 0.718 26 A CB 2.069 21.041 19.000 -0.046 0.000 1.307 26 A HN 1.517 nan 8.150 nan 0.000 0.408 27 Q N -0.219 119.542 119.800 -0.066 0.000 2.352 27 Q HA 0.640 4.980 4.340 -0.000 0.000 0.270 27 Q C -1.360 174.601 176.000 -0.066 0.000 1.006 27 Q CA 0.004 55.767 55.803 -0.067 0.000 0.880 27 Q CB 2.201 30.887 28.738 -0.086 0.000 1.392 27 Q HN 0.754 nan 8.270 nan 0.000 0.401 28 T N 2.878 117.403 114.554 -0.049 0.000 2.893 28 T HA 0.718 5.068 4.350 -0.000 0.000 0.291 28 T C -1.294 173.387 174.700 -0.030 0.000 1.028 28 T CA -0.693 61.385 62.100 -0.038 0.000 0.995 28 T CB 1.235 70.090 68.868 -0.022 0.000 1.051 28 T HN 0.418 nan 8.240 nan 0.000 0.470 29 E N 1.775 121.962 120.200 -0.022 0.000 2.292 29 E HA 0.343 4.693 4.350 -0.000 0.000 0.272 29 E C -0.754 175.857 176.600 0.018 0.000 0.881 29 E CA -0.758 55.638 56.400 -0.007 0.000 0.754 29 E CB 2.652 32.341 29.700 -0.019 0.000 1.201 29 E HN 0.437 nan 8.360 nan 0.000 0.425 30 K N 1.203 121.619 120.400 0.027 0.000 2.168 30 K HA 0.425 4.745 4.320 -0.000 0.000 0.258 30 K C -0.463 176.178 176.600 0.068 0.000 1.010 30 K CA -0.680 55.634 56.287 0.045 0.000 0.929 30 K CB 0.682 33.206 32.500 0.039 0.000 0.998 30 K HN 0.083 nan 8.250 nan 0.000 0.479 31 L N 1.268 122.544 121.223 0.087 0.000 2.401 31 L HA 0.294 4.634 4.340 -0.000 0.000 0.266 31 L C -0.021 176.910 176.870 0.102 0.000 0.991 31 L CA -0.329 54.582 54.840 0.119 0.000 0.818 31 L CB 1.817 43.982 42.059 0.176 0.000 1.321 31 L HN 0.812 nan 8.230 nan 0.000 0.413 32 T N 0.322 114.930 114.554 0.090 0.000 2.902 32 T HA 0.805 5.155 4.350 -0.000 0.000 0.280 32 T C -0.159 174.592 174.700 0.084 0.000 0.992 32 T CA -0.642 61.502 62.100 0.073 0.000 1.015 32 T CB 1.455 70.352 68.868 0.048 0.000 1.044 32 T HN 0.257 nan 8.240 nan 0.000 0.520 33 V N 1.341 121.295 119.914 0.067 0.000 2.769 33 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 33 V C 0.033 176.147 176.094 0.033 0.000 1.061 33 V CA -0.965 61.372 62.300 0.061 0.000 0.931 33 V CB 1.944 33.801 31.823 0.058 0.000 1.010 33 V HN 1.138 nan 8.190 nan 0.000 0.433 34 S N 3.886 119.603 115.700 0.028 0.000 2.519 34 S HA 0.590 5.060 4.470 -0.000 0.000 0.309 34 S C -0.471 174.144 174.600 0.026 0.000 1.100 34 S CA -0.831 57.378 58.200 0.016 0.000 1.059 34 S CB 0.955 64.161 63.200 0.011 0.000 1.008 34 S HN 0.708 nan 8.310 nan 0.000 0.478 35 R N 4.518 125.020 120.500 0.003 0.000 2.587 35 R HA 0.260 4.600 4.340 -0.000 0.000 0.283 35 R C -2.206 174.043 176.300 -0.085 0.000 1.472 35 R CA -1.549 54.556 56.100 0.009 0.000 1.578 35 R CB 0.867 31.166 30.300 -0.002 0.000 1.130 35 R HN 0.512 nan 8.270 nan 0.000 0.602 36 P HA -0.082 nan 4.420 nan 0.000 0.222 36 P C -0.214 176.541 177.300 -0.910 0.000 1.147 36 P CA 1.254 64.072 63.100 -0.471 0.000 0.790 36 P CB 0.317 31.749 31.700 -0.448 0.000 0.780 37 H N -3.095 115.735 119.070 -0.400 0.000 3.016 37 H HA 0.282 4.838 4.556 -0.000 0.000 0.362 37 H C -2.645 172.536 175.328 -0.244 0.000 1.233 37 H CA -2.432 53.308 56.048 -0.513 0.000 1.124 37 H CB 0.861 29.938 29.762 -1.141 0.000 1.850 37 H HN -0.242 nan 8.280 nan 0.000 0.549 38 P HA -0.006 nan 4.420 nan 0.000 0.260 38 P C 0.631 178.014 177.300 0.138 0.000 1.172 38 P CA 0.478 63.600 63.100 0.037 0.000 0.760 38 P CB 0.358 32.070 31.700 0.020 0.000 0.773 39 L N -1.579 119.722 121.223 0.131 0.000 4.892 39 L HA -0.196 4.144 4.340 -0.000 0.000 0.403 39 L C -0.307 176.694 176.870 0.217 0.000 0.913 39 L CA 0.541 55.463 54.840 0.137 0.000 1.653 39 L CB -1.556 40.585 42.059 0.136 0.000 1.780 39 L HN 0.424 nan 8.230 nan 0.000 0.597 40 W N 0.944 122.188 121.300 -0.093 0.000 2.417 40 W HA 0.663 5.323 4.660 0.000 0.000 0.317 40 W C 0.575 177.022 176.519 -0.119 0.000 1.121 40 W CA -0.738 56.537 57.345 -0.117 0.000 1.208 40 W CB 1.521 30.948 29.460 -0.055 0.000 1.253 40 W HN -0.147 nan 8.180 nan 0.000 0.533 41 S N 2.713 118.423 115.700 0.018 0.000 2.776 41 S HA 0.501 4.971 4.470 -0.000 0.000 0.284 41 S C -0.906 173.671 174.600 -0.038 0.000 1.160 41 S CA -0.519 57.657 58.200 -0.041 0.000 1.051 41 S CB 0.250 63.351 63.200 -0.163 0.000 1.037 41 S HN 0.493 nan 8.310 nan 0.000 0.485 42 E N 2.429 122.640 120.200 0.019 0.000 2.367 42 E HA 0.505 4.855 4.350 -0.000 0.000 0.273 42 E C -1.209 175.411 176.600 0.034 0.000 0.903 42 E CA -0.821 55.593 56.400 0.023 0.000 0.764 42 E CB 2.341 32.066 29.700 0.040 0.000 1.252 42 E HN 0.547 nan 8.360 nan 0.000 0.446 43 Q N 0.723 120.528 119.800 0.009 0.000 2.421 43 Q HA 0.240 4.580 4.340 -0.000 0.000 0.280 43 Q C -1.676 174.134 176.000 -0.316 0.000 1.085 43 Q CA -0.964 54.793 55.803 -0.076 0.000 0.807 43 Q CB 2.344 31.137 28.738 0.091 0.000 1.405 43 Q HN 0.392 nan 8.270 nan 0.000 0.419 44 D N 1.709 121.900 120.400 -0.348 0.000 2.316 44 D HA 0.182 4.822 4.640 -0.000 0.000 0.245 44 D C -1.935 173.920 176.300 -0.742 0.000 1.171 44 D CA -2.077 51.674 54.000 -0.415 0.000 0.856 44 D CB 1.419 42.094 40.800 -0.209 0.000 1.090 44 D HN 0.110 nan 8.370 nan 0.000 0.476 45 P HA -0.125 nan 4.420 nan 0.000 0.221 45 P C 0.951 178.033 177.300 -0.362 0.000 1.145 45 P CA 0.758 63.102 63.100 -1.260 0.000 0.795 45 P CB 0.343 31.285 31.700 -1.263 0.000 0.775 46 E N 0.241 120.332 120.200 -0.182 0.000 2.110 46 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 46 E C 2.117 178.811 176.600 0.158 0.000 0.988 46 E CA 1.258 57.719 56.400 0.102 0.000 0.804 46 E CB -0.772 28.967 29.700 0.065 0.000 0.745 46 E HN 0.197 nan 8.360 nan 0.000 0.458 47 Q N -0.888 118.911 119.800 -0.002 0.000 2.170 47 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 47 Q C 1.381 177.522 176.000 0.234 0.000 0.976 47 Q CA 1.461 57.306 55.803 0.070 0.000 0.858 47 Q CB -0.166 28.570 28.738 -0.002 0.000 0.907 47 Q HN 0.423 nan 8.270 nan 0.000 0.433 48 W N 0.016 121.431 121.300 0.192 0.000 2.358 48 W HA -0.238 4.422 4.660 -0.000 0.000 0.303 48 W C 2.122 178.799 176.519 0.263 0.000 1.208 48 W CA 0.323 57.798 57.345 0.216 0.000 1.274 48 W CB -1.500 28.121 29.460 0.268 0.000 1.138 48 W HN 0.433 nan 8.180 nan 0.000 0.515 49 W N 1.381 122.925 121.300 0.407 0.000 2.408 49 W HA -0.193 4.467 4.660 -0.000 0.000 0.311 49 W C 1.837 178.496 176.519 0.234 0.000 1.190 49 W CA 1.436 58.963 57.345 0.304 0.000 1.321 49 W CB -0.428 29.186 29.460 0.258 0.000 1.143 49 W HN -0.106 nan 8.180 nan 0.000 0.501 50 Q N 0.824 120.706 119.800 0.137 0.000 2.135 50 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 50 Q C 2.424 178.381 176.000 -0.071 0.000 0.981 50 Q CA 2.100 57.894 55.803 -0.016 0.000 0.856 50 Q CB -1.254 27.552 28.738 0.114 0.000 0.902 50 Q HN 0.426 nan 8.270 nan 0.000 0.425 51 A N 0.424 123.257 122.820 0.021 0.000 1.902 51 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 51 A C 2.359 179.897 177.584 -0.077 0.000 1.181 51 A CA 1.977 54.018 52.037 0.007 0.000 0.623 51 A CB -0.784 18.268 19.000 0.088 0.000 0.818 51 A HN 0.394 nan 8.150 nan 0.000 0.443 52 T N -0.333 114.160 114.554 -0.102 0.000 2.777 52 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 52 T C 1.686 176.180 174.700 -0.344 0.000 1.040 52 T CA 1.562 63.550 62.100 -0.186 0.000 1.141 52 T CB -0.390 68.430 68.868 -0.079 0.000 0.868 52 T HN 0.611 nan 8.240 nan 0.000 0.444 53 D N 0.924 121.058 120.400 -0.444 0.000 2.087 53 D HA -0.118 4.522 4.640 -0.000 0.000 0.192 53 D C 2.296 178.485 176.300 -0.185 0.000 0.993 53 D CA 1.245 55.075 54.000 -0.282 0.000 0.828 53 D CB -0.176 40.364 40.800 -0.433 0.000 0.968 53 D HN 0.187 nan 8.370 nan 0.000 0.448 54 R N -0.176 120.232 120.500 -0.153 0.000 2.136 54 R HA -0.264 4.076 4.340 -0.000 0.000 0.242 54 R C 2.220 178.434 176.300 -0.143 0.000 1.131 54 R CA 2.096 58.134 56.100 -0.104 0.000 0.937 54 R CB -0.566 29.692 30.300 -0.069 0.000 0.863 54 R HN 0.245 nan 8.270 nan 0.000 0.435 55 A N 0.146 122.858 122.820 -0.181 0.000 1.902 55 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 55 A C 2.167 179.587 177.584 -0.273 0.000 1.181 55 A CA 1.648 53.570 52.037 -0.192 0.000 0.623 55 A CB -0.364 18.528 19.000 -0.180 0.000 0.818 55 A HN 0.309 nan 8.150 nan 0.000 0.443 56 M N -0.694 118.632 119.600 -0.456 0.000 2.254 56 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 56 M C 1.917 177.966 176.300 -0.418 0.000 1.066 56 M CA 1.392 56.306 55.300 -0.643 0.000 1.123 56 M CB -0.968 30.740 32.600 -1.487 0.000 1.388 56 M HN 0.404 nan 8.290 nan 0.000 0.425 57 K N 0.149 120.380 120.400 -0.283 0.000 2.057 57 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 57 K C 2.111 178.661 176.600 -0.083 0.000 1.050 57 K CA 1.376 57.601 56.287 -0.104 0.000 0.935 57 K CB -0.162 32.325 32.500 -0.022 0.000 0.715 57 K HN 0.259 nan 8.250 nan 0.000 0.439 58 A N 1.199 123.961 122.820 -0.097 0.000 1.902 58 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 58 A C 2.076 179.619 177.584 -0.068 0.000 1.181 58 A CA 1.160 53.156 52.037 -0.069 0.000 0.623 58 A CB -0.577 18.384 19.000 -0.066 0.000 0.818 58 A HN 0.236 nan 8.150 nan 0.000 0.443 59 L N 0.069 121.231 121.223 -0.103 0.000 2.043 59 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 59 L C 2.387 179.232 176.870 -0.041 0.000 1.075 59 L CA 2.269 57.058 54.840 -0.085 0.000 0.752 59 L CB -0.755 41.223 42.059 -0.135 0.000 0.891 59 L HN 0.332 nan 8.230 nan 0.000 0.432 60 G N -1.834 106.936 108.800 -0.051 0.000 2.448 60 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 60 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 60 G C 1.224 176.122 174.900 -0.003 0.000 1.135 60 G CA 0.621 45.714 45.100 -0.012 0.000 0.784 60 G HN 0.384 nan 8.290 nan 0.000 0.543 61 D N 0.734 121.126 120.400 -0.013 0.000 2.104 61 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 61 D C 2.572 178.867 176.300 -0.007 0.000 0.994 61 D CA 0.987 54.980 54.000 -0.012 0.000 0.830 61 D CB -0.261 40.530 40.800 -0.014 0.000 0.959 61 D HN 0.365 nan 8.370 nan 0.000 0.452 62 Q N -0.930 118.873 119.800 0.005 0.000 2.061 62 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 62 Q C 0.534 176.574 176.000 0.068 0.000 0.984 62 Q CA 1.211 57.031 55.803 0.027 0.000 0.846 62 Q CB 0.100 28.856 28.738 0.030 0.000 0.902 62 Q HN 0.413 nan 8.270 nan 0.000 0.421 63 H N -1.492 117.558 119.070 -0.034 0.000 3.086 63 H HA 0.218 4.774 4.556 -0.000 0.000 0.353 63 H C -1.347 173.962 175.328 -0.032 0.000 1.134 63 H CA -0.431 55.598 56.048 -0.031 0.000 1.248 63 H CB 1.746 31.488 29.762 -0.034 0.000 1.878 63 H HN -0.003 nan 8.280 nan 0.000 0.527 64 S N 3.628 119.273 115.700 -0.091 0.000 2.552 64 S HA 0.049 4.519 4.470 -0.000 0.000 0.289 64 S C 0.727 175.443 174.600 0.194 0.000 1.304 64 S CA -0.232 57.987 58.200 0.032 0.000 1.063 64 S CB 0.184 63.342 63.200 -0.069 0.000 0.848 64 S HN 0.609 nan 8.310 nan 0.000 0.499 65 L N 4.243 125.522 121.223 0.093 0.000 2.728 65 L HA 0.200 4.540 4.340 -0.000 0.000 0.238 65 L C 1.894 178.790 176.870 0.044 0.000 1.143 65 L CA -0.237 54.642 54.840 0.064 0.000 0.937 65 L CB -0.174 41.910 42.059 0.041 0.000 1.225 65 L HN 0.589 nan 8.230 nan 0.000 0.507 66 Q N 0.439 120.264 119.800 0.041 0.000 2.437 66 Q HA -0.097 4.243 4.340 -0.000 0.000 0.210 66 Q C 0.608 176.611 176.000 0.005 0.000 0.972 66 Q CA 1.056 56.873 55.803 0.023 0.000 0.903 66 Q CB 0.172 28.919 28.738 0.016 0.000 0.967 66 Q HN 0.531 nan 8.270 nan 0.000 0.486 67 D N -0.083 120.316 120.400 -0.001 0.000 2.395 67 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 67 D C -0.050 176.191 176.300 -0.099 0.000 1.110 67 D CA -0.031 53.946 54.000 -0.038 0.000 0.835 67 D CB 1.085 41.869 40.800 -0.026 0.000 0.965 67 D HN -0.057 nan 8.370 nan 0.000 0.505 68 V N 1.553 121.416 119.914 -0.085 0.000 2.673 68 V HA -0.041 4.079 4.120 -0.000 0.000 0.303 68 V C 1.434 177.454 176.094 -0.124 0.000 1.046 68 V CA 0.676 62.895 62.300 -0.135 0.000 1.126 68 V CB 1.361 33.148 31.823 -0.060 0.000 0.934 68 V HN 0.004 nan 8.190 nan 0.000 0.487 69 K N 2.880 123.159 120.400 -0.202 0.000 2.399 69 K HA 0.551 4.871 4.320 -0.000 0.000 0.196 69 K C 0.308 176.915 176.600 0.011 0.000 1.117 69 K CA 0.634 56.857 56.287 -0.107 0.000 0.965 69 K CB 1.038 33.445 32.500 -0.155 0.000 0.983 69 K HN 0.748 nan 8.250 nan 0.000 0.531 70 A N 1.168 124.033 122.820 0.074 0.000 2.606 70 A HA 0.689 5.009 4.320 -0.000 0.000 0.293 70 A C -2.067 175.599 177.584 0.137 0.000 1.082 70 A CA -0.683 51.435 52.037 0.135 0.000 0.685 70 A CB 1.441 20.553 19.000 0.187 0.000 1.284 70 A HN 0.125 nan 8.150 nan 0.000 0.408 71 L N 0.914 122.191 121.223 0.090 0.000 2.408 71 L HA 0.847 5.187 4.340 -0.000 0.000 0.268 71 L C 0.003 176.896 176.870 0.038 0.000 0.986 71 L CA -0.269 54.615 54.840 0.072 0.000 0.820 71 L CB 2.090 44.202 42.059 0.087 0.000 1.303 71 L HN 1.036 nan 8.230 nan 0.000 0.411 72 G N 5.011 113.822 108.800 0.018 0.000 2.481 72 G HA2 0.651 4.611 3.960 -0.000 0.000 0.315 72 G HA3 0.651 4.611 3.960 -0.000 0.000 0.315 72 G C -1.207 173.683 174.900 -0.017 0.000 1.231 72 G CA -0.673 44.419 45.100 -0.012 0.000 0.968 72 G HN 0.751 nan 8.290 nan 0.000 0.482 73 I N -1.174 119.379 120.570 -0.028 0.000 2.689 73 I HA 0.908 5.078 4.170 -0.000 0.000 0.299 73 I C -0.406 175.678 176.117 -0.055 0.000 1.059 73 I CA -1.228 60.052 61.300 -0.033 0.000 1.055 73 I CB 2.153 40.146 38.000 -0.012 0.000 1.243 73 I HN 0.718 nan 8.210 nan 0.000 0.425 74 A N 3.301 126.080 122.820 -0.069 0.000 2.485 74 A HA 1.025 5.345 4.320 -0.000 0.000 0.292 74 A C -0.474 177.045 177.584 -0.108 0.000 1.147 74 A CA -0.413 51.571 52.037 -0.088 0.000 0.750 74 A CB 1.744 20.688 19.000 -0.093 0.000 1.331 74 A HN 1.317 nan 8.150 nan 0.000 0.419 75 G N -0.300 108.421 108.800 -0.132 0.000 2.732 75 G HA2 0.555 4.515 3.960 -0.000 0.000 0.296 75 G HA3 0.555 4.515 3.960 -0.000 0.000 0.296 75 G C -0.919 173.868 174.900 -0.189 0.000 1.448 75 G CA -0.367 44.633 45.100 -0.168 0.000 0.911 75 G HN 1.247 nan 8.290 nan 0.000 0.528 76 Q N 1.075 120.759 119.800 -0.193 0.000 2.398 76 Q HA 0.148 4.488 4.340 -0.000 0.000 0.329 76 Q C 0.157 176.045 176.000 -0.187 0.000 1.079 76 Q CA 0.563 56.248 55.803 -0.196 0.000 1.041 76 Q CB 0.298 28.998 28.738 -0.064 0.000 1.084 76 Q HN 0.472 nan 8.270 nan 0.000 0.386 77 M N 2.386 121.817 119.600 -0.282 0.000 2.227 77 M HA 0.147 4.627 4.480 -0.000 0.000 0.316 77 M C 0.145 176.336 176.300 -0.182 0.000 1.144 77 M CA -0.444 54.598 55.300 -0.429 0.000 1.121 77 M CB 0.609 32.694 32.600 -0.857 0.000 1.440 77 M HN 0.821 nan 8.290 nan 0.000 0.473 78 H N -2.291 116.786 119.070 0.011 0.000 3.641 78 H HA -0.119 4.437 4.556 0.000 0.000 0.193 78 H C 0.466 175.875 175.328 0.134 0.000 1.013 78 H CA 0.840 56.932 56.048 0.073 0.000 1.212 78 H CB -2.110 27.770 29.762 0.197 0.000 1.089 78 H HN 0.949 nan 8.280 nan 0.000 0.339 79 G N 0.562 109.510 108.800 0.248 0.000 2.378 79 G HA2 0.469 4.429 3.960 -0.000 0.000 0.255 79 G HA3 0.469 4.429 3.960 -0.000 0.000 0.255 79 G C 0.267 175.308 174.900 0.235 0.000 1.270 79 G CA 0.300 45.552 45.100 0.253 0.000 0.876 79 G HN 0.565 nan 8.290 nan 0.000 0.521 80 A N 3.077 126.023 122.820 0.210 0.000 2.316 80 A HA 0.612 4.932 4.320 -0.000 0.000 0.311 80 A C 0.567 178.275 177.584 0.206 0.000 1.339 80 A CA -0.414 51.750 52.037 0.212 0.000 0.960 80 A CB 0.314 19.422 19.000 0.179 0.000 1.152 80 A HN 0.574 nan 8.150 nan 0.000 0.547 81 T N 4.534 119.229 114.554 0.236 0.000 2.753 81 T HA 0.437 4.787 4.350 -0.000 0.000 0.297 81 T C -0.134 174.656 174.700 0.150 0.000 0.981 81 T CA -0.160 62.047 62.100 0.179 0.000 0.956 81 T CB 0.305 69.317 68.868 0.239 0.000 0.936 81 T HN 0.445 nan 8.240 nan 0.000 0.463 82 L N 5.093 126.371 121.223 0.093 0.000 2.265 82 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 82 L C -0.309 176.596 176.870 0.058 0.000 1.033 82 L CA -0.618 54.269 54.840 0.078 0.000 0.814 82 L CB 0.831 42.933 42.059 0.072 0.000 1.203 82 L HN 0.440 nan 8.230 nan 0.000 0.423 83 L N 2.698 123.963 121.223 0.070 0.000 2.334 83 L HA 0.401 4.741 4.340 -0.000 0.000 0.276 83 L C 0.009 176.896 176.870 0.029 0.000 1.014 83 L CA -0.972 53.916 54.840 0.081 0.000 0.815 83 L CB 2.081 44.241 42.059 0.169 0.000 1.268 83 L HN 0.567 nan 8.230 nan 0.000 0.428 84 D N 1.776 122.192 120.400 0.026 0.000 2.414 84 D HA 0.162 4.802 4.640 -0.000 0.000 0.259 84 D C 0.925 177.227 176.300 0.004 0.000 1.269 84 D CA -0.189 53.811 54.000 -0.001 0.000 1.028 84 D CB 0.869 41.669 40.800 -0.000 0.000 1.093 84 D HN 0.509 nan 8.370 nan 0.000 0.545 85 A N -1.005 121.805 122.820 -0.017 0.000 2.121 85 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 85 A C 1.765 179.356 177.584 0.012 0.000 1.154 85 A CA 1.057 53.081 52.037 -0.022 0.000 0.679 85 A CB -0.583 18.396 19.000 -0.036 0.000 0.795 85 A HN 0.456 nan 8.150 nan 0.000 0.458 86 Q N -1.357 118.457 119.800 0.024 0.000 2.280 86 Q HA 0.230 4.570 4.340 -0.000 0.000 0.201 86 Q C -0.198 175.839 176.000 0.062 0.000 0.890 86 Q CA 0.177 56.002 55.803 0.036 0.000 0.947 86 Q CB 0.464 29.215 28.738 0.020 0.000 1.081 86 Q HN 0.574 nan 8.270 nan 0.000 0.502 87 Q N -1.342 118.515 119.800 0.096 0.000 2.481 87 Q HA -0.227 4.113 4.340 -0.000 0.000 0.258 87 Q C -0.740 175.322 176.000 0.104 0.000 0.961 87 Q CA 0.656 56.541 55.803 0.137 0.000 1.121 87 Q CB -1.688 27.132 28.738 0.137 0.000 1.503 87 Q HN 0.258 nan 8.270 nan 0.000 0.544 88 R N -0.155 120.387 120.500 0.069 0.000 2.442 88 R HA 0.352 4.692 4.340 -0.000 0.000 0.291 88 R C -0.266 176.066 176.300 0.052 0.000 1.069 88 R CA -0.193 55.938 56.100 0.052 0.000 1.022 88 R CB 0.853 31.171 30.300 0.031 0.000 0.976 88 R HN 0.016 nan 8.270 nan 0.000 0.443 89 V N 6.170 126.105 119.914 0.035 0.000 2.446 89 V HA -0.069 4.051 4.120 -0.000 0.000 0.276 89 V C 1.025 177.117 176.094 -0.004 0.000 1.030 89 V CA 0.186 62.481 62.300 -0.007 0.000 1.033 89 V CB 0.935 32.708 31.823 -0.083 0.000 0.993 89 V HN 0.677 nan 8.190 nan 0.000 0.477 90 L N 5.700 126.928 121.223 0.008 0.000 2.095 90 L HA 0.173 4.513 4.340 -0.000 0.000 0.204 90 L C 1.207 178.096 176.870 0.032 0.000 1.080 90 L CA 1.471 56.325 54.840 0.024 0.000 0.759 90 L CB -0.553 41.525 42.059 0.032 0.000 0.914 90 L HN 0.843 nan 8.230 nan 0.000 0.439 91 R N -1.983 118.531 120.500 0.023 0.000 2.795 91 R HA 0.509 4.849 4.340 -0.000 0.000 0.268 91 R C -2.815 173.473 176.300 -0.019 0.000 1.041 91 R CA -1.615 54.503 56.100 0.030 0.000 0.927 91 R CB 0.303 30.651 30.300 0.080 0.000 1.235 91 R HN -0.277 nan 8.270 nan 0.000 0.463 92 P HA 0.103 nan 4.420 nan 0.000 0.269 92 P C -0.769 176.490 177.300 -0.068 0.000 1.209 92 P CA -0.132 62.924 63.100 -0.073 0.000 0.776 92 P CB 0.699 32.385 31.700 -0.024 0.000 0.876 93 A N 3.490 126.238 122.820 -0.119 0.000 2.524 93 A HA 0.177 4.497 4.320 -0.000 0.000 0.250 93 A C 0.268 177.870 177.584 0.029 0.000 1.078 93 A CA -0.068 51.968 52.037 -0.000 0.000 0.761 93 A CB -0.781 18.275 19.000 0.095 0.000 1.012 93 A HN 0.487 nan 8.150 nan 0.000 0.500 94 I N 4.286 124.867 120.570 0.018 0.000 2.301 94 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 94 I C 0.120 176.244 176.117 0.011 0.000 1.046 94 I CA 0.015 61.275 61.300 -0.066 0.000 1.282 94 I CB 0.314 38.212 38.000 -0.170 0.000 1.409 94 I HN 0.542 nan 8.210 nan 0.000 0.484 95 L N 5.354 126.573 121.223 -0.005 0.000 2.479 95 L HA 0.188 4.528 4.340 -0.000 0.000 0.249 95 L C 1.603 178.478 176.870 0.007 0.000 1.178 95 L CA -0.641 54.233 54.840 0.056 0.000 0.811 95 L CB 0.286 42.345 42.059 -0.001 0.000 1.187 95 L HN 0.769 nan 8.230 nan 0.000 0.480 96 W N 1.084 122.450 121.300 0.110 0.000 2.350 96 W HA -0.189 4.471 4.660 0.000 0.000 0.289 96 W C 1.091 177.643 176.519 0.055 0.000 1.215 96 W CA 1.365 58.790 57.345 0.132 0.000 1.236 96 W CB -1.013 28.585 29.460 0.231 0.000 1.130 96 W HN 0.826 nan 8.180 nan 0.000 0.541 97 N N 0.517 118.541 118.700 -1.126 0.000 2.314 97 N HA -0.045 4.695 4.740 -0.000 0.000 0.200 97 N C 0.084 175.303 175.510 -0.484 0.000 1.135 97 N CA -0.255 52.191 53.050 -1.007 0.000 0.835 97 N CB -0.264 37.249 38.487 -1.624 0.000 0.989 97 N HN -0.052 nan 8.380 nan 0.000 0.478 98 D N 0.529 120.718 120.400 -0.351 0.000 2.350 98 D HA 0.073 4.713 4.640 -0.000 0.000 0.249 98 D C 0.145 176.301 176.300 -0.240 0.000 1.119 98 D CA 0.100 53.939 54.000 -0.269 0.000 0.886 98 D CB 1.328 41.950 40.800 -0.297 0.000 1.195 98 D HN 0.446 nan 8.370 nan 0.000 0.437 99 G N 3.083 111.760 108.800 -0.205 0.000 4.144 99 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.297 99 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.297 99 G C 1.200 175.997 174.900 -0.172 0.000 1.090 99 G CA -0.423 44.578 45.100 -0.165 0.000 0.870 99 G HN 0.562 nan 8.290 nan 0.000 0.532 100 R N -0.792 119.514 120.500 -0.323 0.000 2.276 100 R HA 0.042 4.382 4.340 -0.000 0.000 0.203 100 R C 1.323 177.432 176.300 -0.319 0.000 1.017 100 R CA 1.179 57.044 56.100 -0.392 0.000 1.010 100 R CB -0.575 29.156 30.300 -0.948 0.000 0.900 100 R HN 0.370 nan 8.270 nan 0.000 0.469 101 C N -1.401 117.749 119.300 -0.250 0.000 2.638 101 C HA 0.705 5.165 4.460 -0.000 0.000 0.282 101 C C 1.930 176.921 174.990 0.001 0.000 1.473 101 C CA -0.765 58.214 59.018 -0.066 0.000 1.781 101 C CB 0.156 27.856 27.740 -0.068 0.000 2.780 101 C HN 0.455 nan 8.230 nan 0.000 0.531 102 A N 1.048 123.861 122.820 -0.011 0.000 1.917 102 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 102 A C 2.445 180.049 177.584 0.033 0.000 1.182 102 A CA 2.122 54.157 52.037 -0.003 0.000 0.633 102 A CB -0.698 18.299 19.000 -0.006 0.000 0.819 102 A HN 0.722 nan 8.150 nan 0.000 0.448 103 Q N -0.535 119.307 119.800 0.070 0.000 2.096 103 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 103 Q C 1.871 177.920 176.000 0.081 0.000 0.982 103 Q CA 2.183 58.034 55.803 0.080 0.000 0.850 103 Q CB -0.172 28.634 28.738 0.113 0.000 0.901 103 Q HN 0.724 nan 8.270 nan 0.000 0.422 104 E N -0.515 119.752 120.200 0.111 0.000 2.153 104 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 104 E C 2.077 178.722 176.600 0.076 0.000 0.988 104 E CA 0.983 57.448 56.400 0.108 0.000 0.811 104 E CB -0.337 29.459 29.700 0.160 0.000 0.746 104 E HN 0.336 nan 8.360 nan 0.000 0.466 105 C N 0.011 119.341 119.300 0.050 0.000 2.429 105 C HA -0.128 4.332 4.460 -0.000 0.000 0.277 105 C C 2.634 177.648 174.990 0.039 0.000 1.262 105 C CA 1.488 60.525 59.018 0.031 0.000 1.733 105 C CB -0.972 26.763 27.740 -0.008 0.000 2.010 105 C HN 0.512 nan 8.230 nan 0.000 0.483 106 T N 0.873 115.449 114.554 0.036 0.000 2.777 106 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 106 T C 1.820 176.544 174.700 0.041 0.000 1.040 106 T CA 0.925 63.045 62.100 0.034 0.000 1.141 106 T CB -0.325 68.560 68.868 0.029 0.000 0.868 106 T HN 0.448 nan 8.240 nan 0.000 0.444 107 L N 0.593 121.843 121.223 0.046 0.000 2.012 107 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 107 L C 2.481 179.382 176.870 0.053 0.000 1.073 107 L CA 1.349 56.216 54.840 0.045 0.000 0.748 107 L CB -0.383 41.704 42.059 0.046 0.000 0.891 107 L HN 0.302 nan 8.230 nan 0.000 0.431 108 L N -0.470 120.792 121.223 0.065 0.000 2.046 108 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 108 L C 2.381 179.295 176.870 0.074 0.000 1.077 108 L CA 1.596 56.484 54.840 0.079 0.000 0.747 108 L CB -0.250 41.866 42.059 0.094 0.000 0.896 108 L HN 0.381 nan 8.230 nan 0.000 0.432 109 E N -0.692 119.546 120.200 0.065 0.000 2.208 109 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 109 E C 2.090 178.721 176.600 0.051 0.000 0.988 109 E CA 0.855 57.292 56.400 0.061 0.000 0.828 109 E CB 0.055 29.788 29.700 0.055 0.000 0.763 109 E HN 0.533 nan 8.360 nan 0.000 0.478 110 A N 1.122 123.969 122.820 0.045 0.000 1.898 110 A HA -0.103 4.217 4.320 -0.000 0.000 0.214 110 A C 2.033 179.640 177.584 0.040 0.000 1.183 110 A CA 0.850 52.909 52.037 0.037 0.000 0.622 110 A CB -0.187 18.832 19.000 0.031 0.000 0.824 110 A HN 0.032 nan 8.150 nan 0.000 0.444 111 R N -0.736 119.791 120.500 0.046 0.000 2.081 111 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 111 R C -0.223 176.110 176.300 0.055 0.000 1.131 111 R CA 1.380 57.508 56.100 0.048 0.000 0.960 111 R CB -0.120 30.213 30.300 0.056 0.000 0.856 111 R HN 0.313 nan 8.270 nan 0.000 0.436 112 V N 2.421 122.374 119.914 0.065 0.000 2.235 112 V HA 0.148 4.268 4.120 -0.000 0.000 0.266 112 V C -1.883 174.249 176.094 0.064 0.000 1.055 112 V CA -1.264 61.078 62.300 0.070 0.000 0.844 112 V CB 1.173 33.050 31.823 0.091 0.000 1.097 112 V HN 0.126 nan 8.190 nan 0.000 0.453 113 P HA -0.210 nan 4.420 nan 0.000 0.217 113 P C 1.113 178.443 177.300 0.050 0.000 1.148 113 P CA 1.369 64.496 63.100 0.045 0.000 0.834 113 P CB 0.294 32.016 31.700 0.038 0.000 0.783 114 Q N -0.762 119.072 119.800 0.056 0.000 2.246 114 Q HA 0.076 4.416 4.340 -0.000 0.000 0.202 114 Q C 1.930 177.976 176.000 0.076 0.000 0.883 114 Q CA 0.234 56.073 55.803 0.061 0.000 0.952 114 Q CB -0.188 28.585 28.738 0.058 0.000 1.078 114 Q HN 0.316 nan 8.270 nan 0.000 0.493 115 S N 0.916 116.665 115.700 0.082 0.000 2.374 115 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 115 S C 1.745 176.408 174.600 0.105 0.000 1.037 115 S CA 0.950 59.210 58.200 0.099 0.000 1.024 115 S CB -0.075 63.188 63.200 0.103 0.000 0.861 115 S HN 0.397 nan 8.310 nan 0.000 0.456 116 R N 0.170 120.725 120.500 0.092 0.000 2.148 116 R HA 0.093 4.433 4.340 -0.000 0.000 0.227 116 R C 2.242 178.601 176.300 0.100 0.000 1.103 116 R CA 1.125 57.281 56.100 0.094 0.000 0.983 116 R CB -0.569 29.774 30.300 0.071 0.000 0.874 116 R HN 0.372 nan 8.270 nan 0.000 0.451 117 V N 1.151 121.120 119.914 0.092 0.000 2.488 117 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 117 V C 2.098 178.278 176.094 0.143 0.000 1.046 117 V CA 1.491 63.851 62.300 0.101 0.000 1.053 117 V CB -0.147 31.721 31.823 0.074 0.000 0.679 117 V HN 0.222 nan 8.190 nan 0.000 0.458 118 I N 0.543 121.186 120.570 0.122 0.000 2.333 118 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 118 I C 2.583 178.767 176.117 0.112 0.000 1.106 118 I CA 1.889 63.256 61.300 0.112 0.000 1.411 118 I CB -0.592 37.472 38.000 0.108 0.000 1.082 118 I HN 0.463 nan 8.210 nan 0.000 0.420 119 T N -2.066 112.567 114.554 0.132 0.000 3.054 119 T HA 0.168 4.518 4.350 -0.000 0.000 0.259 119 T C 1.707 176.512 174.700 0.174 0.000 1.092 119 T CA 0.621 62.799 62.100 0.129 0.000 1.121 119 T CB 0.138 69.084 68.868 0.129 0.000 0.912 119 T HN 0.512 nan 8.240 nan 0.000 0.489 120 G N 1.176 110.122 108.800 0.244 0.000 2.155 120 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.257 120 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.257 120 G C -0.187 174.782 174.900 0.115 0.000 0.983 120 G CA 0.172 45.444 45.100 0.286 0.000 0.676 120 G HN 0.748 nan 8.290 nan 0.000 0.528 121 N N -1.383 117.395 118.700 0.130 0.000 2.284 121 N HA 0.674 5.414 4.740 -0.000 0.000 0.289 121 N C -0.654 174.979 175.510 0.205 0.000 1.179 121 N CA -0.838 52.320 53.050 0.179 0.000 0.774 121 N CB 1.892 40.504 38.487 0.209 0.000 1.548 121 N HN 0.171 nan 8.380 nan 0.000 0.473 122 L N 1.552 122.917 121.223 0.237 0.000 2.349 122 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 122 L C -0.276 176.739 176.870 0.241 0.000 1.115 122 L CA -0.365 54.589 54.840 0.191 0.000 0.820 122 L CB 0.640 42.772 42.059 0.122 0.000 1.135 122 L HN 0.586 nan 8.230 nan 0.000 0.445 123 M N 5.659 125.348 119.600 0.148 0.000 2.219 123 M HA 0.303 4.783 4.480 -0.000 0.000 0.353 123 M C -0.827 175.406 176.300 -0.112 0.000 1.304 123 M CA 0.922 56.289 55.300 0.111 0.000 1.115 123 M CB 0.273 32.927 32.600 0.091 0.000 1.664 123 M HN 0.412 nan 8.290 nan 0.000 0.459 124 M N 6.539 125.855 119.600 -0.473 0.000 2.591 124 M HA 0.393 4.873 4.480 -0.000 0.000 0.306 124 M C -2.063 173.924 176.300 -0.522 0.000 1.190 124 M CA -1.927 52.979 55.300 -0.658 0.000 0.889 124 M CB 1.388 33.287 32.600 -1.168 0.000 1.728 124 M HN 0.344 nan 8.290 nan 0.000 0.458 125 P HA 0.005 nan 4.420 nan 0.000 0.223 125 P C 1.305 178.481 177.300 -0.205 0.000 1.151 125 P CA 1.065 64.041 63.100 -0.206 0.000 0.787 125 P CB 0.183 31.784 31.700 -0.165 0.000 0.788 126 G N -1.368 107.271 108.800 -0.268 0.000 2.484 126 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 126 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 126 G C 0.475 175.373 174.900 -0.004 0.000 1.130 126 G CA -0.097 44.928 45.100 -0.125 0.000 0.784 126 G HN 0.233 nan 8.290 nan 0.000 0.543 127 F N 0.490 120.294 119.950 -0.244 0.000 2.406 127 F HA 0.152 4.679 4.527 0.000 0.000 0.327 127 F C 2.007 177.705 175.800 -0.170 0.000 1.153 127 F CA -0.732 57.108 58.000 -0.267 0.000 1.218 127 F CB 1.076 39.930 39.000 -0.243 0.000 1.215 127 F HN -0.100 nan 8.300 nan 0.000 0.570 128 T N 0.936 115.484 114.554 -0.009 0.000 2.812 128 T HA -0.159 4.191 4.350 -0.000 0.000 0.264 128 T C 2.094 176.621 174.700 -0.289 0.000 1.042 128 T CA 1.176 63.179 62.100 -0.162 0.000 1.140 128 T CB -0.300 68.388 68.868 -0.301 0.000 0.870 128 T HN 0.699 nan 8.240 nan 0.000 0.445 129 A N 2.753 125.244 122.820 -0.548 0.000 1.865 129 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 129 A C 0.440 178.059 177.584 0.058 0.000 1.191 129 A CA 1.507 53.313 52.037 -0.385 0.000 0.623 129 A CB -1.653 17.067 19.000 -0.467 0.000 0.826 129 A HN 0.423 nan 8.150 nan 0.000 0.444 130 P HA -0.154 nan 4.420 nan 0.000 0.218 130 P C 0.987 178.364 177.300 0.129 0.000 1.149 130 P CA 1.436 64.592 63.100 0.093 0.000 0.817 130 P CB -0.157 31.569 31.700 0.044 0.000 0.785 131 K N -0.533 119.918 120.400 0.085 0.000 2.103 131 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 131 K C 2.190 178.934 176.600 0.239 0.000 1.048 131 K CA 1.146 57.486 56.287 0.087 0.000 0.930 131 K CB -0.608 31.910 32.500 0.030 0.000 0.716 131 K HN 0.122 nan 8.250 nan 0.000 0.444 132 L N 0.257 121.663 121.223 0.304 0.000 2.131 132 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 132 L C 2.051 179.126 176.870 0.341 0.000 1.087 132 L CA 0.690 55.778 54.840 0.413 0.000 0.767 132 L CB -0.195 42.207 42.059 0.572 0.000 0.917 132 L HN 0.064 nan 8.230 nan 0.000 0.441 133 L N -1.541 119.838 121.223 0.259 0.000 2.042 133 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 133 L C 2.220 179.179 176.870 0.149 0.000 1.076 133 L CA 1.947 56.867 54.840 0.133 0.000 0.749 133 L CB -0.673 41.466 42.059 0.133 0.000 0.893 133 L HN 0.377 nan 8.230 nan 0.000 0.432 134 W N -0.755 120.582 121.300 0.062 0.000 2.335 134 W HA -0.238 4.422 4.660 -0.000 0.000 0.311 134 W C 2.385 178.979 176.519 0.125 0.000 1.213 134 W CA 2.003 59.404 57.345 0.093 0.000 1.274 134 W CB -0.222 29.219 29.460 -0.033 0.000 1.148 134 W HN -0.109 nan 8.180 nan 0.000 0.498 135 V N 0.711 120.912 119.914 0.478 0.000 2.287 135 V HA -0.396 3.724 4.120 -0.000 0.000 0.248 135 V C 2.394 178.538 176.094 0.083 0.000 1.053 135 V CA 2.443 64.943 62.300 0.333 0.000 1.027 135 V CB -1.259 30.817 31.823 0.422 0.000 0.646 135 V HN 0.364 nan 8.190 nan 0.000 0.447 136 Q N -0.245 119.517 119.800 -0.063 0.000 2.112 136 Q HA -0.275 4.065 4.340 -0.000 0.000 0.206 136 Q C 2.410 178.222 176.000 -0.312 0.000 0.987 136 Q CA 2.075 57.587 55.803 -0.484 0.000 0.858 136 Q CB -0.012 28.103 28.738 -1.038 0.000 0.905 136 Q HN 0.570 nan 8.270 nan 0.000 0.420 137 R N -1.685 118.653 120.500 -0.270 0.000 2.140 137 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 137 R C 1.822 177.798 176.300 -0.540 0.000 1.059 137 R CA 0.999 56.885 56.100 -0.357 0.000 1.000 137 R CB 0.198 30.313 30.300 -0.310 0.000 0.910 137 R HN 0.402 nan 8.270 nan 0.000 0.455 138 H N -0.928 117.807 119.070 -0.559 0.000 2.885 138 H HA 0.221 4.777 4.556 -0.000 0.000 0.260 138 H C -0.056 175.060 175.328 -0.354 0.000 0.985 138 H CA 0.423 56.093 56.048 -0.631 0.000 1.210 138 H CB 1.051 29.982 29.762 -1.385 0.000 1.466 138 H HN 0.132 nan 8.280 nan 0.000 0.493 139 E N 1.352 121.479 120.200 -0.123 0.000 3.935 139 E HA 0.111 4.461 4.350 -0.000 0.000 0.226 139 E C -2.026 174.610 176.600 0.060 0.000 1.220 139 E CA -1.401 55.010 56.400 0.018 0.000 1.226 139 E CB 1.436 31.210 29.700 0.124 0.000 1.237 139 E HN 0.225 nan 8.360 nan 0.000 0.417 140 P HA -0.194 nan 4.420 nan 0.000 0.219 140 P C 0.629 177.994 177.300 0.107 0.000 1.146 140 P CA 1.222 64.350 63.100 0.047 0.000 0.808 140 P CB 0.448 32.136 31.700 -0.020 0.000 0.779 141 E N 0.037 120.281 120.200 0.074 0.000 2.077 141 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 141 E C 2.194 178.845 176.600 0.086 0.000 0.989 141 E CA 0.884 57.326 56.400 0.070 0.000 0.800 141 E CB -1.024 28.707 29.700 0.051 0.000 0.746 141 E HN 0.201 nan 8.360 nan 0.000 0.452 142 I N 0.412 121.048 120.570 0.109 0.000 2.142 142 I HA -0.202 3.968 4.170 -0.000 0.000 0.240 142 I C 2.214 178.406 176.117 0.126 0.000 1.078 142 I CA 1.179 62.548 61.300 0.114 0.000 1.343 142 I CB -0.969 37.117 38.000 0.142 0.000 1.046 142 I HN 0.087 nan 8.210 nan 0.000 0.405 143 F N 2.006 121.978 119.950 0.035 0.000 2.120 143 F HA -0.245 4.282 4.527 0.000 0.000 0.300 143 F C 2.835 178.641 175.800 0.009 0.000 1.095 143 F CA 1.753 59.770 58.000 0.028 0.000 1.249 143 F CB -0.374 38.641 39.000 0.025 0.000 0.995 143 F HN -0.063 nan 8.300 nan 0.000 0.480 144 R N -0.070 120.517 120.500 0.145 0.000 2.170 144 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 144 R C 1.751 178.021 176.300 -0.051 0.000 1.145 144 R CA 1.935 58.064 56.100 0.049 0.000 0.984 144 R CB -0.225 30.116 30.300 0.068 0.000 0.869 144 R HN 0.492 nan 8.270 nan 0.000 0.455 145 Q N -0.455 119.311 119.800 -0.057 0.000 2.319 145 Q HA 0.173 4.513 4.340 -0.000 0.000 0.202 145 Q C -0.155 175.781 176.000 -0.107 0.000 0.896 145 Q CA -0.199 55.568 55.803 -0.061 0.000 0.942 145 Q CB 0.679 29.405 28.738 -0.019 0.000 1.083 145 Q HN 0.299 nan 8.270 nan 0.000 0.510 146 I N 1.494 121.946 120.570 -0.198 0.000 2.517 146 I HA -0.079 4.091 4.170 -0.000 0.000 0.285 146 I C 0.691 176.683 176.117 -0.210 0.000 1.106 146 I CA 0.400 61.568 61.300 -0.221 0.000 1.402 146 I CB 0.729 38.503 38.000 -0.377 0.000 1.399 146 I HN 0.076 nan 8.210 nan 0.000 0.535 147 D N 4.186 124.496 120.400 -0.149 0.000 2.431 147 D HA 0.100 4.740 4.640 -0.000 0.000 0.227 147 D C -0.039 176.148 176.300 -0.188 0.000 1.030 147 D CA 0.653 54.556 54.000 -0.162 0.000 0.897 147 D CB 0.580 41.307 40.800 -0.122 0.000 1.058 147 D HN 0.217 nan 8.370 nan 0.000 0.500 148 K N -0.263 120.061 120.400 -0.126 0.000 2.525 148 K HA 0.493 4.813 4.320 -0.000 0.000 0.254 148 K C -1.851 174.746 176.600 -0.006 0.000 0.934 148 K CA -0.713 55.520 56.287 -0.091 0.000 0.802 148 K CB 2.506 34.996 32.500 -0.017 0.000 1.295 148 K HN -0.211 nan 8.250 nan 0.000 0.433 149 V N 5.127 125.037 119.914 -0.006 0.000 2.378 149 V HA 0.534 4.654 4.120 -0.000 0.000 0.288 149 V C -0.682 175.536 176.094 0.208 0.000 1.016 149 V CA -0.766 61.600 62.300 0.110 0.000 0.840 149 V CB 1.070 32.958 31.823 0.109 0.000 0.994 149 V HN 0.558 nan 8.190 nan 0.000 0.431 150 L N 5.444 126.826 121.223 0.265 0.000 2.346 150 L HA 0.587 4.927 4.340 -0.000 0.000 0.276 150 L C -0.181 176.866 176.870 0.295 0.000 1.006 150 L CA -0.665 54.356 54.840 0.302 0.000 0.817 150 L CB 2.041 44.309 42.059 0.348 0.000 1.272 150 L HN 0.424 nan 8.230 nan 0.000 0.421 151 L N 3.292 124.669 121.223 0.257 0.000 2.476 151 L HA 0.084 4.424 4.340 -0.000 0.000 0.264 151 L C -1.402 175.559 176.870 0.151 0.000 1.224 151 L CA -1.115 53.833 54.840 0.181 0.000 0.821 151 L CB 0.200 42.325 42.059 0.109 0.000 1.101 151 L HN 0.411 nan 8.230 nan 0.000 0.488 152 P HA -0.160 nan 4.420 nan 0.000 0.215 152 P C 1.157 178.334 177.300 -0.205 0.000 1.157 152 P CA 1.206 64.122 63.100 -0.307 0.000 0.859 152 P CB 0.073 31.342 31.700 -0.718 0.000 0.786 153 K N -0.431 119.876 120.400 -0.154 0.000 2.211 153 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 153 K C 1.131 177.751 176.600 0.033 0.000 1.050 153 K CA 1.662 57.906 56.287 -0.072 0.000 0.945 153 K CB -0.709 31.739 32.500 -0.086 0.000 0.732 153 K HN 0.007 nan 8.250 nan 0.000 0.451 154 D N 0.276 120.721 120.400 0.075 0.000 2.183 154 D HA -0.139 4.501 4.640 -0.000 0.000 0.203 154 D C 1.709 178.098 176.300 0.148 0.000 0.969 154 D CA 0.802 54.867 54.000 0.107 0.000 0.842 154 D CB -0.267 40.620 40.800 0.145 0.000 0.957 154 D HN 0.323 nan 8.370 nan 0.000 0.484 155 Y N 1.433 121.815 120.300 0.137 0.000 2.181 155 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 155 Y C 2.087 178.083 175.900 0.161 0.000 1.146 155 Y CA 0.895 59.105 58.100 0.182 0.000 1.164 155 Y CB -0.340 38.335 38.460 0.357 0.000 0.982 155 Y HN -0.144 nan 8.280 nan 0.000 0.515 156 L N 1.269 122.603 121.223 0.184 0.000 2.013 156 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 156 L C 2.749 179.638 176.870 0.031 0.000 1.073 156 L CA 2.185 57.113 54.840 0.146 0.000 0.753 156 L CB -1.137 41.047 42.059 0.209 0.000 0.890 156 L HN 0.314 nan 8.230 nan 0.000 0.432 157 R N -0.788 119.714 120.500 0.003 0.000 2.094 157 R HA -0.237 4.103 4.340 -0.000 0.000 0.239 157 R C 2.370 178.580 176.300 -0.150 0.000 1.137 157 R CA 2.253 58.327 56.100 -0.043 0.000 0.943 157 R CB -0.686 29.589 30.300 -0.042 0.000 0.850 157 R HN 0.391 nan 8.270 nan 0.000 0.433 158 L N 1.369 122.446 121.223 -0.243 0.000 2.012 158 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 158 L C 2.387 179.001 176.870 -0.427 0.000 1.073 158 L CA 1.792 56.394 54.840 -0.397 0.000 0.748 158 L CB -0.412 41.348 42.059 -0.498 0.000 0.891 158 L HN 0.120 nan 8.230 nan 0.000 0.431 159 R N -0.716 119.480 120.500 -0.506 0.000 2.120 159 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 159 R C 2.115 178.134 176.300 -0.467 0.000 1.123 159 R CA 1.844 57.583 56.100 -0.602 0.000 0.975 159 R CB -0.600 29.238 30.300 -0.770 0.000 0.866 159 R HN 0.508 nan 8.270 nan 0.000 0.446 160 M N -0.786 118.695 119.600 -0.197 0.000 2.435 160 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 160 M C 1.589 177.804 176.300 -0.142 0.000 1.104 160 M CA 1.624 56.871 55.300 -0.089 0.000 1.140 160 M CB 0.226 32.890 32.600 0.106 0.000 1.372 160 M HN 0.153 nan 8.290 nan 0.000 0.456 161 T N -5.334 109.123 114.554 -0.162 0.000 2.969 161 T HA 0.333 4.683 4.350 -0.000 0.000 0.258 161 T C 1.397 175.996 174.700 -0.168 0.000 0.962 161 T CA 0.612 62.627 62.100 -0.141 0.000 0.903 161 T CB 0.591 69.393 68.868 -0.111 0.000 1.177 161 T HN 0.455 nan 8.240 nan 0.000 0.511 162 G N 1.903 110.562 108.800 -0.236 0.000 2.155 162 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 162 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 162 G C -0.232 174.497 174.900 -0.285 0.000 0.983 162 G CA 0.372 45.315 45.100 -0.261 0.000 0.676 162 G HN 0.665 nan 8.290 nan 0.000 0.528 163 E N -0.641 119.399 120.200 -0.267 0.000 2.222 163 E HA 0.623 4.973 4.350 -0.000 0.000 0.272 163 E C -0.609 175.809 176.600 -0.303 0.000 0.982 163 E CA -0.887 55.403 56.400 -0.183 0.000 0.842 163 E CB 0.855 30.514 29.700 -0.069 0.000 1.144 163 E HN 0.132 nan 8.360 nan 0.000 0.397 164 F N 1.018 120.987 119.950 0.032 0.000 2.313 164 F HA 0.530 5.057 4.527 -0.000 0.000 0.369 164 F C 0.331 176.198 175.800 0.113 0.000 1.109 164 F CA -0.498 57.541 58.000 0.065 0.000 1.132 164 F CB 1.155 40.194 39.000 0.065 0.000 1.291 164 F HN 0.376 nan 8.300 nan 0.000 0.496 165 A N 1.887 124.840 122.820 0.221 0.000 2.574 165 A HA 0.797 5.117 4.320 -0.000 0.000 0.297 165 A C -1.013 176.680 177.584 0.182 0.000 1.062 165 A CA -0.581 51.587 52.037 0.219 0.000 0.686 165 A CB 2.008 21.041 19.000 0.054 0.000 1.285 165 A HN 0.495 nan 8.150 nan 0.000 0.403 166 S N -0.329 115.511 115.700 0.233 0.000 2.732 166 S HA 0.725 5.195 4.470 -0.000 0.000 0.293 166 S C -1.647 173.026 174.600 0.122 0.000 1.159 166 S CA -0.244 58.050 58.200 0.156 0.000 0.847 166 S CB 1.357 64.675 63.200 0.197 0.000 1.169 166 S HN 0.983 nan 8.310 nan 0.000 0.501 167 D N 0.669 121.094 120.400 0.042 0.000 2.340 167 D HA 0.238 4.878 4.640 -0.000 0.000 0.243 167 D C 1.115 177.376 176.300 -0.066 0.000 0.988 167 D CA -0.602 53.399 54.000 0.001 0.000 0.959 167 D CB 0.753 41.541 40.800 -0.020 0.000 1.226 167 D HN 0.397 nan 8.370 nan 0.000 0.509 168 M N 0.841 120.380 119.600 -0.101 0.000 2.213 168 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 168 M C 2.189 178.417 176.300 -0.119 0.000 1.062 168 M CA 1.328 56.535 55.300 -0.155 0.000 1.105 168 M CB -1.335 31.150 32.600 -0.191 0.000 1.385 168 M HN 0.634 nan 8.290 nan 0.000 0.417 169 S N -0.289 115.370 115.700 -0.068 0.000 2.371 169 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 169 S C 1.733 176.235 174.600 -0.163 0.000 1.029 169 S CA 1.340 59.522 58.200 -0.031 0.000 0.978 169 S CB -0.278 62.975 63.200 0.089 0.000 0.833 169 S HN 0.312 nan 8.310 nan 0.000 0.466 170 D N 1.954 122.265 120.400 -0.148 0.000 2.123 170 D HA 0.194 4.834 4.640 -0.000 0.000 0.200 170 D C 2.252 178.450 176.300 -0.171 0.000 0.976 170 D CA 1.346 55.229 54.000 -0.194 0.000 0.831 170 D CB -0.588 40.147 40.800 -0.109 0.000 0.974 170 D HN 0.481 nan 8.370 nan 0.000 0.469 171 A N 0.790 123.551 122.820 -0.098 0.000 1.940 171 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 171 A C 2.309 179.845 177.584 -0.080 0.000 1.176 171 A CA 2.261 54.267 52.037 -0.052 0.000 0.631 171 A CB -0.820 18.036 19.000 -0.239 0.000 0.814 171 A HN 0.254 nan 8.150 nan 0.000 0.446 172 A N -0.514 122.216 122.820 -0.151 0.000 1.978 172 A HA 0.065 4.385 4.320 -0.000 0.000 0.220 172 A C 2.273 179.740 177.584 -0.196 0.000 1.170 172 A CA 1.831 53.815 52.037 -0.088 0.000 0.636 172 A CB -1.256 17.757 19.000 0.021 0.000 0.810 172 A HN 0.843 nan 8.150 nan 0.000 0.448 173 G N -0.894 107.619 108.800 -0.479 0.000 2.776 173 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.209 173 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.209 173 G C 1.456 176.237 174.900 -0.198 0.000 1.145 173 G CA 1.574 46.366 45.100 -0.514 0.000 0.791 173 G HN 0.681 nan 8.290 nan 0.000 0.530 174 T N -2.526 111.944 114.554 -0.140 0.000 2.942 174 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 174 T C 1.681 176.115 174.700 -0.443 0.000 1.062 174 T CA 1.037 62.992 62.100 -0.242 0.000 1.139 174 T CB -0.106 68.758 68.868 -0.007 0.000 0.883 174 T HN 0.236 nan 8.240 nan 0.000 0.468 175 M N -1.413 118.056 119.600 -0.220 0.000 2.939 175 M HA -0.115 4.365 4.480 -0.000 0.000 0.202 175 M C -0.136 176.151 176.300 -0.021 0.000 0.592 175 M CA 0.571 55.800 55.300 -0.119 0.000 0.749 175 M CB -2.754 29.791 32.600 -0.092 0.000 2.692 175 M HN 0.596 nan 8.290 nan 0.000 0.382 176 W N -0.149 121.290 121.300 0.232 0.000 3.058 176 W HA 0.510 5.170 4.660 -0.000 0.000 0.306 176 W C 0.810 177.546 176.519 0.363 0.000 1.188 176 W CA -0.436 57.080 57.345 0.285 0.000 1.651 176 W CB 0.137 29.769 29.460 0.287 0.000 1.051 176 W HN 0.217 nan 8.180 nan 0.000 0.592 177 L N 2.143 123.626 121.223 0.433 0.000 2.305 177 L HA 0.190 4.530 4.340 -0.000 0.000 0.281 177 L C 0.361 177.301 176.870 0.118 0.000 1.085 177 L CA 0.337 55.301 54.840 0.207 0.000 0.813 177 L CB 0.602 42.655 42.059 -0.010 0.000 1.157 177 L HN -0.238 nan 8.230 nan 0.000 0.436 178 D N 3.870 124.316 120.400 0.077 0.000 2.359 178 D HA 0.029 4.669 4.640 -0.000 0.000 0.250 178 D C 0.944 177.200 176.300 -0.073 0.000 1.264 178 D CA 0.047 54.058 54.000 0.017 0.000 0.911 178 D CB 1.236 42.059 40.800 0.038 0.000 1.056 178 D HN 0.440 nan 8.370 nan 0.000 0.499 179 V N 4.427 124.238 119.914 -0.171 0.000 2.548 179 V HA -0.197 3.923 4.120 -0.000 0.000 0.249 179 V C 2.488 178.399 176.094 -0.304 0.000 1.055 179 V CA 1.775 63.920 62.300 -0.259 0.000 1.065 179 V CB -0.509 31.084 31.823 -0.382 0.000 0.681 179 V HN 0.668 nan 8.190 nan 0.000 0.462 180 A N -0.052 122.416 122.820 -0.588 0.000 1.908 180 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 180 A C 2.219 179.834 177.584 0.052 0.000 1.181 180 A CA 1.841 53.690 52.037 -0.314 0.000 0.627 180 A CB -0.306 18.599 19.000 -0.159 0.000 0.818 180 A HN 0.542 nan 8.150 nan 0.000 0.445 181 K N -1.505 118.905 120.400 0.016 0.000 2.367 181 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 181 K C -0.256 176.357 176.600 0.021 0.000 1.027 181 K CA 0.065 56.378 56.287 0.043 0.000 1.075 181 K CB 0.302 32.814 32.500 0.020 0.000 0.845 181 K HN 0.436 nan 8.250 nan 0.000 0.529 182 R N 1.719 122.217 120.500 -0.002 0.000 3.416 182 R HA -0.192 4.148 4.340 -0.000 0.000 0.263 182 R C -0.690 175.508 176.300 -0.170 0.000 1.053 182 R CA 0.862 56.901 56.100 -0.102 0.000 0.705 182 R CB -1.767 28.464 30.300 -0.116 0.000 1.124 182 R HN 0.277 nan 8.270 nan 0.000 0.444 183 D N -1.344 118.957 120.400 -0.164 0.000 2.609 183 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 183 D C -0.542 175.689 176.300 -0.115 0.000 1.229 183 D CA -0.689 53.193 54.000 -0.197 0.000 0.808 183 D CB 0.601 41.361 40.800 -0.067 0.000 1.448 183 D HN 0.106 nan 8.370 nan 0.000 0.433 184 W N 1.239 122.565 121.300 0.044 0.000 2.187 184 W HA 0.223 4.883 4.660 -0.000 0.000 0.348 184 W C 0.929 177.487 176.519 0.065 0.000 1.282 184 W CA -0.304 57.082 57.345 0.069 0.000 1.271 184 W CB 0.408 29.897 29.460 0.048 0.000 1.170 184 W HN 0.184 nan 8.180 nan 0.000 0.583 185 S N 1.935 117.854 115.700 0.365 0.000 2.448 185 S HA 0.106 4.576 4.470 -0.000 0.000 0.320 185 S C 0.696 175.413 174.600 0.194 0.000 1.071 185 S CA -0.746 57.593 58.200 0.232 0.000 1.113 185 S CB 0.431 63.759 63.200 0.214 0.000 0.972 185 S HN 0.423 nan 8.310 nan 0.000 0.465 186 D N 3.887 124.368 120.400 0.135 0.000 2.149 186 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 186 D C 2.043 178.393 176.300 0.082 0.000 0.990 186 D CA 1.067 55.117 54.000 0.084 0.000 0.839 186 D CB -0.142 40.695 40.800 0.061 0.000 0.948 186 D HN 0.459 nan 8.370 nan 0.000 0.460 187 V N 0.958 120.932 119.914 0.098 0.000 2.287 187 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 187 V C 2.452 178.624 176.094 0.131 0.000 1.053 187 V CA 1.293 63.653 62.300 0.099 0.000 1.027 187 V CB -0.334 31.547 31.823 0.096 0.000 0.646 187 V HN 0.217 nan 8.190 nan 0.000 0.447 188 M N -0.981 118.729 119.600 0.182 0.000 2.175 188 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 188 M C 2.128 178.610 176.300 0.304 0.000 1.063 188 M CA 1.695 57.153 55.300 0.264 0.000 1.119 188 M CB -1.087 31.714 32.600 0.335 0.000 1.377 188 M HN 0.288 nan 8.290 nan 0.000 0.415 189 L N -0.724 120.603 121.223 0.174 0.000 2.044 189 L HA -0.193 4.147 4.340 -0.000 0.000 0.205 189 L C 2.546 179.415 176.870 -0.001 0.000 1.075 189 L CA 1.046 55.868 54.840 -0.029 0.000 0.747 189 L CB -0.599 41.354 42.059 -0.177 0.000 0.903 189 L HN 0.237 nan 8.230 nan 0.000 0.435 190 Q N -0.179 119.636 119.800 0.025 0.000 2.096 190 Q HA -0.265 4.075 4.340 -0.000 0.000 0.208 190 Q C 2.268 178.307 176.000 0.066 0.000 0.993 190 Q CA 2.255 58.078 55.803 0.033 0.000 0.862 190 Q CB -0.340 28.419 28.738 0.035 0.000 0.915 190 Q HN 0.555 nan 8.270 nan 0.000 0.416 191 A N -0.940 121.938 122.820 0.098 0.000 2.125 191 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 191 A C 1.760 179.421 177.584 0.128 0.000 1.156 191 A CA 1.297 53.398 52.037 0.107 0.000 0.671 191 A CB -0.336 18.740 19.000 0.126 0.000 0.794 191 A HN 0.549 nan 8.150 nan 0.000 0.459 192 C N -0.569 118.832 119.300 0.168 0.000 2.974 192 C HA 0.260 4.720 4.460 -0.000 0.000 0.282 192 C C 0.468 175.574 174.990 0.194 0.000 1.292 192 C CA -0.275 58.870 59.018 0.211 0.000 1.710 192 C CB -0.933 27.039 27.740 0.387 0.000 2.036 192 C HN 0.688 nan 8.230 nan 0.000 0.629 193 D N 1.248 121.725 120.400 0.129 0.000 2.699 193 D HA -0.145 4.495 4.640 -0.000 0.000 0.239 193 D C -0.454 175.928 176.300 0.137 0.000 1.136 193 D CA 0.817 54.905 54.000 0.145 0.000 0.668 193 D CB -0.891 40.029 40.800 0.202 0.000 1.060 193 D HN 0.469 nan 8.370 nan 0.000 0.429 194 L N -0.470 120.742 121.223 -0.019 0.000 2.283 194 L HA 0.628 4.968 4.340 -0.000 0.000 0.259 194 L C 0.623 177.364 176.870 -0.216 0.000 1.027 194 L CA -0.676 54.054 54.840 -0.184 0.000 0.828 194 L CB 2.101 43.927 42.059 -0.389 0.000 1.380 194 L HN 0.137 nan 8.230 nan 0.000 0.425 195 S N -1.284 114.247 115.700 -0.282 0.000 2.661 195 S HA 0.492 4.962 4.470 -0.000 0.000 0.285 195 S C 0.370 174.757 174.600 -0.356 0.000 1.138 195 S CA -0.961 57.088 58.200 -0.252 0.000 0.855 195 S CB 2.022 65.118 63.200 -0.172 0.000 1.136 195 S HN 0.608 nan 8.310 nan 0.000 0.484 196 R N 0.722 121.043 120.500 -0.297 0.000 2.159 196 R HA -0.078 4.262 4.340 -0.000 0.000 0.237 196 R C 0.873 176.979 176.300 -0.323 0.000 1.131 196 R CA 1.817 57.703 56.100 -0.358 0.000 0.982 196 R CB -0.616 29.589 30.300 -0.157 0.000 0.868 196 R HN 0.686 nan 8.270 nan 0.000 0.453 197 D N 0.811 121.064 120.400 -0.246 0.000 2.263 197 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 197 D C 1.283 177.415 176.300 -0.280 0.000 0.971 197 D CA 1.085 54.953 54.000 -0.221 0.000 0.867 197 D CB 0.029 40.723 40.800 -0.176 0.000 0.929 197 D HN 0.419 nan 8.370 nan 0.000 0.492 198 Q N -0.692 118.902 119.800 -0.344 0.000 2.360 198 Q HA 0.106 4.446 4.340 -0.000 0.000 0.202 198 Q C 0.314 176.066 176.000 -0.412 0.000 0.915 198 Q CA 0.114 55.699 55.803 -0.364 0.000 0.943 198 Q CB 0.564 29.075 28.738 -0.379 0.000 1.064 198 Q HN 0.135 nan 8.270 nan 0.000 0.511 199 M N 1.477 120.779 119.600 -0.497 0.000 2.478 199 M HA 0.404 4.884 4.480 -0.000 0.000 0.327 199 M C -2.302 173.916 176.300 -0.136 0.000 1.187 199 M CA -2.555 52.434 55.300 -0.518 0.000 1.022 199 M CB 0.550 32.350 32.600 -1.333 0.000 1.629 199 M HN -0.174 nan 8.290 nan 0.000 0.461 200 P HA 0.182 nan 4.420 nan 0.000 0.270 200 P C -0.764 176.796 177.300 0.433 0.000 1.223 200 P CA -0.321 62.969 63.100 0.317 0.000 0.785 200 P CB 0.250 32.184 31.700 0.390 0.000 0.923 201 A N 2.426 125.468 122.820 0.370 0.000 2.498 201 A HA 0.270 4.590 4.320 -0.000 0.000 0.239 201 A C 0.294 178.091 177.584 0.356 0.000 1.068 201 A CA -0.147 52.097 52.037 0.345 0.000 0.766 201 A CB -0.681 18.510 19.000 0.317 0.000 1.003 201 A HN 0.512 nan 8.150 nan 0.000 0.497 202 L N 1.988 123.288 121.223 0.129 0.000 2.307 202 L HA 0.555 4.895 4.340 -0.000 0.000 0.282 202 L C -0.808 175.997 176.870 -0.109 0.000 1.051 202 L CA -0.358 54.484 54.840 0.003 0.000 0.804 202 L CB 0.898 42.792 42.059 -0.275 0.000 1.197 202 L HN 0.742 nan 8.230 nan 0.000 0.431 203 Y N 0.237 120.498 120.300 -0.064 0.000 2.634 203 Y HA 0.400 4.950 4.550 -0.000 0.000 0.340 203 Y C 0.076 175.918 175.900 -0.097 0.000 1.058 203 Y CA -1.155 56.907 58.100 -0.063 0.000 1.081 203 Y CB 1.261 39.701 38.460 -0.034 0.000 1.295 203 Y HN 0.411 nan 8.280 nan 0.000 0.487 204 E N -0.055 120.184 120.200 0.065 0.000 2.349 204 E HA 0.152 4.502 4.350 -0.000 0.000 0.265 204 E C 0.938 177.536 176.600 -0.003 0.000 1.064 204 E CA 0.351 56.739 56.400 -0.019 0.000 0.886 204 E CB 1.100 30.763 29.700 -0.062 0.000 1.036 204 E HN 0.961 nan 8.360 nan 0.000 0.413 205 G N 1.438 110.204 108.800 -0.057 0.000 2.475 205 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 205 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 205 G C 1.241 176.103 174.900 -0.064 0.000 1.125 205 G CA 1.275 46.336 45.100 -0.065 0.000 0.755 205 G HN 0.471 nan 8.290 nan 0.000 0.565 206 S N -0.416 115.246 115.700 -0.064 0.000 2.556 206 S HA 0.277 4.747 4.470 -0.000 0.000 0.216 206 S C 0.435 175.015 174.600 -0.033 0.000 0.970 206 S CA -0.309 57.853 58.200 -0.063 0.000 0.912 206 S CB 0.412 63.565 63.200 -0.078 0.000 0.790 206 S HN 0.526 nan 8.310 nan 0.000 0.504 207 E N 1.146 121.345 120.200 -0.002 0.000 2.283 207 E HA 0.432 4.782 4.350 -0.000 0.000 0.271 207 E C -0.572 176.014 176.600 -0.023 0.000 1.031 207 E CA -0.617 55.806 56.400 0.040 0.000 0.868 207 E CB 1.113 30.913 29.700 0.166 0.000 1.094 207 E HN 0.324 nan 8.360 nan 0.000 0.401 208 I N 2.051 122.610 120.570 -0.019 0.000 2.441 208 I HA -0.004 4.166 4.170 -0.000 0.000 0.287 208 I C 1.401 177.390 176.117 -0.214 0.000 1.049 208 I CA 0.121 61.370 61.300 -0.084 0.000 1.381 208 I CB 0.928 38.912 38.000 -0.027 0.000 1.409 208 I HN 0.692 nan 8.210 nan 0.000 0.523 209 T N 0.965 115.316 114.554 -0.339 0.000 3.040 209 T HA 0.486 4.836 4.350 -0.000 0.000 0.250 209 T C 0.636 175.204 174.700 -0.219 0.000 1.058 209 T CA 0.166 61.945 62.100 -0.535 0.000 0.988 209 T CB 0.636 69.135 68.868 -0.614 0.000 0.993 209 T HN 0.895 nan 8.240 nan 0.000 0.519 210 G N 0.431 109.155 108.800 -0.126 0.000 2.368 210 G HA2 0.543 4.503 3.960 -0.000 0.000 0.269 210 G HA3 0.543 4.503 3.960 -0.000 0.000 0.269 210 G C -1.796 173.075 174.900 -0.050 0.000 1.291 210 G CA -0.293 44.766 45.100 -0.069 0.000 0.903 210 G HN 0.856 nan 8.290 nan 0.000 0.483 211 A N -1.050 121.745 122.820 -0.042 0.000 2.556 211 A HA 0.806 5.126 4.320 -0.000 0.000 0.294 211 A C -0.308 177.255 177.584 -0.034 0.000 1.091 211 A CA -0.689 51.333 52.037 -0.026 0.000 0.704 211 A CB 0.979 19.968 19.000 -0.018 0.000 1.300 211 A HN 1.292 nan 8.150 nan 0.000 0.406 212 L N 1.476 122.688 121.223 -0.017 0.000 2.540 212 L HA 0.039 4.379 4.340 -0.000 0.000 0.276 212 L C -0.130 176.698 176.870 -0.069 0.000 1.212 212 L CA 0.068 54.884 54.840 -0.040 0.000 0.893 212 L CB -0.247 41.805 42.059 -0.012 0.000 1.138 212 L HN 0.561 nan 8.230 nan 0.000 0.491 213 L N 5.613 126.771 121.223 -0.108 0.000 2.525 213 L HA -0.035 4.305 4.340 -0.000 0.000 0.278 213 L C -1.152 175.654 176.870 -0.107 0.000 1.218 213 L CA -1.117 53.655 54.840 -0.113 0.000 0.878 213 L CB -0.144 41.826 42.059 -0.149 0.000 1.127 213 L HN 0.460 nan 8.230 nan 0.000 0.492 214 P HA -0.244 nan 4.420 nan 0.000 0.219 214 P C 1.051 178.304 177.300 -0.079 0.000 1.161 214 P CA 1.409 64.471 63.100 -0.063 0.000 0.909 214 P CB 0.235 31.905 31.700 -0.050 0.000 0.793 215 E N -0.940 119.204 120.200 -0.094 0.000 2.077 215 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 215 E C 2.020 178.533 176.600 -0.146 0.000 0.989 215 E CA 0.988 57.330 56.400 -0.097 0.000 0.800 215 E CB -1.214 28.430 29.700 -0.094 0.000 0.746 215 E HN 0.061 nan 8.360 nan 0.000 0.452 216 V N 1.021 120.804 119.914 -0.219 0.000 2.307 216 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 216 V C 2.244 178.088 176.094 -0.417 0.000 1.045 216 V CA 1.738 63.786 62.300 -0.419 0.000 1.024 216 V CB -0.966 30.573 31.823 -0.472 0.000 0.651 216 V HN 0.360 nan 8.190 nan 0.000 0.449 217 A N -0.032 122.670 122.820 -0.197 0.000 1.873 217 A HA -0.325 3.995 4.320 -0.000 0.000 0.218 217 A C 2.368 179.954 177.584 0.003 0.000 1.193 217 A CA 2.509 54.519 52.037 -0.045 0.000 0.629 217 A CB -0.634 18.356 19.000 -0.017 0.000 0.826 217 A HN 0.490 nan 8.150 nan 0.000 0.447 218 K N -0.373 120.011 120.400 -0.028 0.000 2.032 218 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 218 K C 2.165 178.783 176.600 0.030 0.000 1.048 218 K CA 1.473 57.762 56.287 0.003 0.000 0.927 218 K CB -0.412 32.082 32.500 -0.011 0.000 0.712 218 K HN 0.378 nan 8.250 nan 0.000 0.441 219 A N 0.168 122.980 122.820 -0.013 0.000 2.024 219 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 219 A C 1.314 179.035 177.584 0.228 0.000 1.164 219 A CA 1.319 53.384 52.037 0.045 0.000 0.643 219 A CB -0.588 18.391 19.000 -0.035 0.000 0.806 219 A HN 0.545 nan 8.150 nan 0.000 0.451 220 W N -1.408 119.904 121.300 0.020 0.000 3.220 220 W HA 0.404 5.064 4.660 -0.000 0.000 0.328 220 W C 1.361 177.881 176.519 0.001 0.000 1.205 220 W CA -0.132 57.214 57.345 0.002 0.000 1.773 220 W CB -0.793 28.668 29.460 0.002 0.000 1.086 220 W HN 0.597 nan 8.180 nan 0.000 0.622 221 G N 2.456 111.377 108.800 0.202 0.000 2.272 221 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 221 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 221 G C 0.043 175.007 174.900 0.106 0.000 1.067 221 G CA 0.634 45.804 45.100 0.116 0.000 0.902 221 G HN 0.224 nan 8.290 nan 0.000 0.500 222 M N -2.013 117.659 119.600 0.119 0.000 2.664 222 M HA 0.873 5.353 4.480 -0.000 0.000 0.279 222 M C 0.222 176.560 176.300 0.062 0.000 1.275 222 M CA -0.679 54.676 55.300 0.092 0.000 0.829 222 M CB 1.411 34.086 32.600 0.124 0.000 1.727 222 M HN 1.058 nan 8.290 nan 0.000 0.459 223 A N 0.775 123.620 122.820 0.042 0.000 2.366 223 A HA 0.456 4.776 4.320 -0.000 0.000 0.249 223 A C 0.694 178.294 177.584 0.027 0.000 1.084 223 A CA 0.136 52.188 52.037 0.025 0.000 0.794 223 A CB -0.192 18.816 19.000 0.013 0.000 1.034 223 A HN 0.897 nan 8.150 nan 0.000 0.491 224 T N 0.254 114.814 114.554 0.011 0.000 4.622 224 T HA 0.266 4.616 4.350 -0.000 0.000 0.223 224 T C 0.151 174.857 174.700 0.010 0.000 0.939 224 T CA -0.306 61.796 62.100 0.003 0.000 1.070 224 T CB -1.327 67.534 68.868 -0.011 0.000 1.391 224 T HN 0.418 nan 8.240 nan 0.000 1.063 225 V N 3.854 123.784 119.914 0.027 0.000 2.811 225 V HA 0.272 4.392 4.120 -0.000 0.000 0.302 225 V C -1.838 174.271 176.094 0.026 0.000 1.063 225 V CA -1.956 60.362 62.300 0.030 0.000 1.088 225 V CB 1.018 32.867 31.823 0.045 0.000 0.982 225 V HN 0.578 nan 8.190 nan 0.000 0.485 226 P HA 0.200 nan 4.420 nan 0.000 0.271 226 P C -1.104 176.203 177.300 0.012 0.000 1.216 226 P CA 0.026 63.133 63.100 0.011 0.000 0.776 226 P CB 0.575 32.283 31.700 0.014 0.000 0.881 227 V N 3.917 123.824 119.914 -0.013 0.000 2.448 227 V HA 0.317 4.437 4.120 -0.000 0.000 0.295 227 V C 0.646 176.702 176.094 -0.062 0.000 1.025 227 V CA -0.812 61.476 62.300 -0.020 0.000 0.859 227 V CB 1.773 33.583 31.823 -0.021 0.000 0.988 227 V HN 0.460 nan 8.190 nan 0.000 0.431 228 V N 2.713 122.595 119.914 -0.053 0.000 3.036 228 V HA 0.774 4.894 4.120 -0.000 0.000 0.308 228 V C 1.374 177.406 176.094 -0.103 0.000 1.070 228 V CA 0.462 62.713 62.300 -0.082 0.000 1.056 228 V CB 1.252 33.039 31.823 -0.059 0.000 1.084 228 V HN 0.919 nan 8.190 nan 0.000 0.471 229 A N 1.655 124.402 122.820 -0.121 0.000 1.933 229 A HA 0.387 4.707 4.320 -0.000 0.000 0.218 229 A C 1.854 179.399 177.584 -0.064 0.000 1.175 229 A CA 1.906 53.880 52.037 -0.105 0.000 0.628 229 A CB -1.304 17.659 19.000 -0.062 0.000 0.814 229 A HN 2.824 nan 8.150 nan 0.000 0.444 230 G N -2.357 106.405 108.800 -0.063 0.000 2.542 230 G HA2 0.367 4.327 3.960 -0.000 0.000 0.235 230 G HA3 0.367 4.327 3.960 -0.000 0.000 0.235 230 G C 0.339 175.202 174.900 -0.061 0.000 1.286 230 G CA -0.229 44.833 45.100 -0.062 0.000 0.904 230 G HN 1.978 nan 8.290 nan 0.000 0.577 231 G N -1.528 107.234 108.800 -0.063 0.000 2.698 231 G HA2 0.807 4.767 3.960 -0.000 0.000 0.293 231 G HA3 0.807 4.767 3.960 -0.000 0.000 0.293 231 G C 0.278 175.130 174.900 -0.080 0.000 1.437 231 G CA 0.593 45.659 45.100 -0.056 0.000 0.852 231 G HN 1.979 nan 8.290 nan 0.000 0.499 232 G N -0.160 108.583 108.800 -0.094 0.000 2.562 232 G HA2 0.313 4.273 3.960 -0.000 0.000 0.233 232 G HA3 0.313 4.273 3.960 -0.000 0.000 0.233 232 G C 1.013 175.841 174.900 -0.119 0.000 1.266 232 G CA 0.791 45.805 45.100 -0.143 0.000 0.852 232 G HN 0.779 nan 8.290 nan 0.000 0.581 233 D N 0.985 121.295 120.400 -0.151 0.000 2.116 233 D HA -0.209 4.431 4.640 -0.000 0.000 0.193 233 D C 1.695 177.922 176.300 -0.122 0.000 0.998 233 D CA 1.553 55.470 54.000 -0.138 0.000 0.836 233 D CB -0.321 40.383 40.800 -0.160 0.000 0.951 233 D HN 0.356 nan 8.370 nan 0.000 0.449 234 N N 1.288 119.934 118.700 -0.089 0.000 2.025 234 N HA -0.142 4.598 4.740 -0.000 0.000 0.194 234 N C 2.043 177.447 175.510 -0.178 0.000 1.044 234 N CA 2.104 55.124 53.050 -0.051 0.000 0.851 234 N CB -0.739 37.838 38.487 0.151 0.000 1.036 234 N HN 0.401 nan 8.380 nan 0.000 0.422 235 A N 1.151 123.952 122.820 -0.030 0.000 1.908 235 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 235 A C 2.419 179.958 177.584 -0.074 0.000 1.181 235 A CA 2.138 54.160 52.037 -0.024 0.000 0.627 235 A CB -0.841 18.304 19.000 0.241 0.000 0.818 235 A HN 0.372 nan 8.150 nan 0.000 0.445 236 A N -0.465 122.302 122.820 -0.088 0.000 1.877 236 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 236 A C 2.483 179.975 177.584 -0.153 0.000 1.186 236 A CA 1.942 53.914 52.037 -0.107 0.000 0.620 236 A CB -1.548 17.393 19.000 -0.098 0.000 0.822 236 A HN 0.814 nan 8.150 nan 0.000 0.443 237 G N -0.183 108.506 108.800 -0.186 0.000 2.513 237 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.219 237 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.219 237 G C 1.779 176.508 174.900 -0.286 0.000 1.160 237 G CA 1.948 46.920 45.100 -0.213 0.000 0.767 237 G HN 0.917 nan 8.290 nan 0.000 0.571 238 A N -0.245 122.284 122.820 -0.485 0.000 1.933 238 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 238 A C 2.625 180.059 177.584 -0.250 0.000 1.175 238 A CA 1.929 53.614 52.037 -0.586 0.000 0.628 238 A CB -0.601 17.603 19.000 -1.327 0.000 0.814 238 A HN 0.315 nan 8.150 nan 0.000 0.444 239 V N -0.184 119.638 119.914 -0.153 0.000 2.427 239 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 239 V C 2.765 178.789 176.094 -0.117 0.000 1.051 239 V CA 1.872 64.107 62.300 -0.109 0.000 1.048 239 V CB -1.262 30.484 31.823 -0.127 0.000 0.666 239 V HN 0.622 nan 8.190 nan 0.000 0.456 240 G N -0.849 107.874 108.800 -0.128 0.000 2.470 240 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 240 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 240 G C 1.462 176.301 174.900 -0.102 0.000 1.121 240 G CA 1.132 46.165 45.100 -0.111 0.000 0.766 240 G HN 0.434 nan 8.290 nan 0.000 0.553 241 V N -0.101 119.744 119.914 -0.115 0.000 3.590 241 V HA 0.393 4.513 4.120 -0.000 0.000 0.265 241 V C 1.923 177.971 176.094 -0.077 0.000 1.239 241 V CA 1.045 63.286 62.300 -0.098 0.000 1.117 241 V CB 0.113 31.867 31.823 -0.115 0.000 0.818 241 V HN 0.721 nan 8.190 nan 0.000 0.451 242 G N 0.350 109.105 108.800 -0.075 0.000 2.134 242 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.209 242 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.209 242 G C -0.013 174.872 174.900 -0.024 0.000 0.993 242 G CA 0.130 45.200 45.100 -0.050 0.000 0.669 242 G HN 0.344 nan 8.290 nan 0.000 0.519 243 M N 0.824 120.407 119.600 -0.029 0.000 2.108 243 M HA 0.647 5.127 4.480 -0.000 0.000 0.347 243 M C 0.979 177.365 176.300 0.143 0.000 1.326 243 M CA 0.266 55.580 55.300 0.024 0.000 1.126 243 M CB 1.398 33.971 32.600 -0.045 0.000 1.606 243 M HN 0.093 nan 8.290 nan 0.000 0.462 244 V N 1.553 121.552 119.914 0.142 0.000 3.119 244 V HA 0.221 4.341 4.120 -0.000 0.000 0.245 244 V C -0.445 175.727 176.094 0.130 0.000 1.598 244 V CA 0.284 62.657 62.300 0.121 0.000 1.116 244 V CB 0.889 32.728 31.823 0.028 0.000 0.981 244 V HN 0.648 nan 8.190 nan 0.000 0.430 245 D N 0.243 120.710 120.400 0.113 0.000 2.490 245 D HA 0.619 5.259 4.640 -0.000 0.000 0.232 245 D C -0.030 176.335 176.300 0.108 0.000 1.053 245 D CA 0.270 54.331 54.000 0.103 0.000 0.914 245 D CB 2.233 43.071 40.800 0.063 0.000 1.431 245 D HN 0.229 nan 8.370 nan 0.000 0.483 246 A N 1.690 124.573 122.820 0.105 0.000 2.591 246 A HA -0.026 4.294 4.320 -0.000 0.000 0.244 246 A C 0.932 178.551 177.584 0.058 0.000 1.031 246 A CA 0.449 52.540 52.037 0.090 0.000 0.767 246 A CB -0.359 18.688 19.000 0.079 0.000 0.942 246 A HN 0.707 nan 8.150 nan 0.000 0.514 247 N N -0.131 118.597 118.700 0.047 0.000 2.909 247 N HA -0.159 4.581 4.740 -0.000 0.000 0.242 247 N C -0.256 175.271 175.510 0.028 0.000 0.975 247 N CA 1.606 54.669 53.050 0.022 0.000 0.921 247 N CB -1.215 37.273 38.487 0.002 0.000 1.112 247 N HN 0.931 nan 8.380 nan 0.000 0.581 248 Q N 0.503 120.332 119.800 0.049 0.000 2.332 248 Q HA 0.564 4.904 4.340 -0.000 0.000 0.263 248 Q C 0.163 176.192 176.000 0.049 0.000 0.979 248 Q CA 0.474 56.309 55.803 0.052 0.000 0.885 248 Q CB 1.121 29.898 28.738 0.064 0.000 1.218 248 Q HN 0.376 nan 8.270 nan 0.000 0.405 249 A N 3.438 126.284 122.820 0.043 0.000 2.486 249 A HA 0.724 5.044 4.320 -0.000 0.000 0.300 249 A C -0.860 176.754 177.584 0.050 0.000 1.048 249 A CA -0.868 51.167 52.037 -0.002 0.000 0.696 249 A CB 1.402 20.406 19.000 0.007 0.000 1.278 249 A HN 0.779 nan 8.150 nan 0.000 0.405 250 M N 1.580 121.192 119.600 0.020 0.000 2.464 250 M HA 0.858 5.338 4.480 -0.000 0.000 0.308 250 M C -1.960 174.462 176.300 0.203 0.000 1.127 250 M CA -0.842 54.514 55.300 0.094 0.000 0.913 250 M CB 1.906 34.521 32.600 0.024 0.000 1.689 250 M HN 0.602 nan 8.290 nan 0.000 0.445 251 L N 2.325 123.697 121.223 0.248 0.000 2.319 251 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 251 L C -0.874 176.091 176.870 0.157 0.000 1.005 251 L CA 0.174 55.176 54.840 0.270 0.000 0.828 251 L CB 1.924 44.110 42.059 0.211 0.000 1.227 251 L HN 0.910 nan 8.230 nan 0.000 0.415 252 S N 5.669 121.455 115.700 0.144 0.000 2.404 252 S HA 0.451 4.921 4.470 -0.000 0.000 0.309 252 S C 0.195 174.866 174.600 0.117 0.000 1.076 252 S CA -0.597 57.669 58.200 0.109 0.000 1.095 252 S CB -0.029 63.217 63.200 0.076 0.000 0.972 252 S HN 0.642 nan 8.310 nan 0.000 0.484 253 L N 5.300 126.602 121.223 0.130 0.000 2.998 253 L HA 0.399 4.739 4.340 -0.000 0.000 0.234 253 L C 1.275 178.220 176.870 0.124 0.000 1.350 253 L CA -0.631 54.300 54.840 0.153 0.000 1.202 253 L CB -0.763 41.432 42.059 0.226 0.000 1.583 253 L HN 0.673 nan 8.230 nan 0.000 0.456 254 G N -0.219 108.639 108.800 0.097 0.000 2.641 254 G HA2 0.245 4.205 3.960 -0.000 0.000 0.239 254 G HA3 0.245 4.205 3.960 -0.000 0.000 0.239 254 G C 1.053 175.995 174.900 0.070 0.000 1.402 254 G CA 0.432 45.578 45.100 0.077 0.000 1.046 254 G HN 0.306 nan 8.290 nan 0.000 0.565 255 T N -2.327 112.262 114.554 0.059 0.000 3.035 255 T HA 0.073 4.423 4.350 -0.000 0.000 0.268 255 T C 1.165 175.904 174.700 0.065 0.000 1.109 255 T CA 1.133 63.268 62.100 0.060 0.000 1.119 255 T CB -0.224 68.676 68.868 0.055 0.000 0.900 255 T HN 0.906 nan 8.240 nan 0.000 0.503 256 S N 0.410 116.146 115.700 0.060 0.000 2.659 256 S HA 0.674 5.144 4.470 -0.000 0.000 0.312 256 S C -0.010 174.631 174.600 0.069 0.000 1.114 256 S CA -0.737 57.501 58.200 0.063 0.000 1.063 256 S CB 1.416 64.638 63.200 0.037 0.000 0.996 256 S HN 0.502 nan 8.310 nan 0.000 0.478 257 G N 2.242 111.094 108.800 0.086 0.000 2.353 257 G HA2 0.584 4.544 3.960 -0.000 0.000 0.284 257 G HA3 0.584 4.544 3.960 -0.000 0.000 0.284 257 G C -0.829 174.139 174.900 0.114 0.000 1.172 257 G CA -0.602 44.558 45.100 0.100 0.000 0.854 257 G HN 1.059 nan 8.290 nan 0.000 0.485 258 V N 1.973 121.968 119.914 0.134 0.000 2.888 258 V HA 0.388 4.508 4.120 -0.000 0.000 0.309 258 V C -1.478 174.763 176.094 0.246 0.000 1.114 258 V CA -1.109 61.295 62.300 0.174 0.000 0.940 258 V CB 1.932 33.852 31.823 0.161 0.000 1.021 258 V HN 0.702 nan 8.190 nan 0.000 0.426 259 Y N 3.837 124.197 120.300 0.100 0.000 2.328 259 Y HA 0.716 5.266 4.550 -0.000 0.000 0.337 259 Y C -1.255 174.737 175.900 0.153 0.000 0.966 259 Y CA -1.748 56.412 58.100 0.100 0.000 1.136 259 Y CB 1.563 40.041 38.460 0.030 0.000 1.170 259 Y HN 0.627 nan 8.280 nan 0.000 0.470 260 F N 5.337 125.085 119.950 -0.337 0.000 2.477 260 F HA 0.800 5.327 4.527 -0.000 0.000 0.335 260 F C -1.106 174.433 175.800 -0.435 0.000 1.130 260 F CA -0.633 57.190 58.000 -0.296 0.000 0.948 260 F CB 1.018 39.888 39.000 -0.217 0.000 1.154 260 F HN 0.626 nan 8.300 nan 0.000 0.439 261 A N 5.702 128.273 122.820 -0.414 0.000 2.359 261 A HA 0.658 4.978 4.320 -0.000 0.000 0.303 261 A C -1.527 175.969 177.584 -0.147 0.000 1.066 261 A CA -0.687 51.213 52.037 -0.229 0.000 0.730 261 A CB 1.174 20.015 19.000 -0.266 0.000 1.211 261 A HN 0.520 nan 8.150 nan 0.000 0.439 262 V N 3.082 123.010 119.914 0.022 0.000 2.521 262 V HA 0.372 4.492 4.120 -0.000 0.000 0.286 262 V C 0.987 177.132 176.094 0.085 0.000 1.034 262 V CA 0.476 62.833 62.300 0.094 0.000 1.045 262 V CB 0.826 32.760 31.823 0.184 0.000 0.974 262 V HN 1.055 nan 8.190 nan 0.000 0.480 263 S N 3.190 118.961 115.700 0.118 0.000 2.722 263 S HA 0.527 4.997 4.470 -0.000 0.000 0.292 263 S C -0.267 174.401 174.600 0.114 0.000 1.135 263 S CA -0.825 57.425 58.200 0.083 0.000 1.003 263 S CB 1.627 64.855 63.200 0.047 0.000 1.067 263 S HN 0.671 nan 8.310 nan 0.000 0.546 264 E N 0.972 121.205 120.200 0.053 0.000 1.932 264 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 264 E C 1.042 177.650 176.600 0.014 0.000 1.159 264 E CA 1.121 57.551 56.400 0.049 0.000 0.905 264 E CB -0.532 29.175 29.700 0.012 0.000 1.059 264 E HN 1.072 nan 8.360 nan 0.000 0.400 265 G N 3.699 112.552 108.800 0.089 0.000 2.598 265 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.269 265 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.269 265 G C -0.423 174.302 174.900 -0.291 0.000 1.289 265 G CA -0.045 45.004 45.100 -0.086 0.000 0.926 265 G HN 0.555 nan 8.290 nan 0.000 0.567 266 F N 0.926 120.302 119.950 -0.956 0.000 2.438 266 F HA 0.693 5.220 4.527 -0.000 0.000 0.356 266 F C 0.333 175.888 175.800 -0.409 0.000 1.099 266 F CA -1.170 56.294 58.000 -0.892 0.000 1.185 266 F CB 0.409 38.714 39.000 -1.158 0.000 1.115 266 F HN 0.420 nan 8.300 nan 0.000 0.526 267 L N 5.569 126.290 121.223 -0.835 0.000 2.333 267 L HA 0.381 4.721 4.340 -0.000 0.000 0.280 267 L C -0.291 176.026 176.870 -0.922 0.000 1.004 267 L CA -0.687 53.714 54.840 -0.732 0.000 0.820 267 L CB 1.830 43.682 42.059 -0.344 0.000 1.247 267 L HN 0.571 nan 8.230 nan 0.000 0.416 268 S N 3.262 118.504 115.700 -0.763 0.000 2.594 268 S HA 0.403 4.873 4.470 -0.000 0.000 0.322 268 S C -0.519 173.928 174.600 -0.255 0.000 1.085 268 S CA -0.533 57.376 58.200 -0.485 0.000 1.116 268 S CB 0.422 63.376 63.200 -0.411 0.000 0.979 268 S HN 0.555 nan 8.310 nan 0.000 0.465 269 K N 5.190 125.479 120.400 -0.184 0.000 2.827 269 K HA 0.384 4.704 4.320 -0.000 0.000 0.186 269 K C -2.857 173.692 176.600 -0.086 0.000 1.093 269 K CA -1.795 54.421 56.287 -0.117 0.000 0.993 269 K CB 1.106 33.542 32.500 -0.107 0.000 1.199 269 K HN 0.299 nan 8.250 nan 0.000 0.598 270 P HA 0.300 nan 4.420 nan 0.000 0.291 270 P C -1.276 176.013 177.300 -0.018 0.000 1.378 270 P CA -0.388 62.699 63.100 -0.023 0.000 0.853 270 P CB 1.184 32.894 31.700 0.016 0.000 1.002 271 E N 0.184 120.368 120.200 -0.027 0.000 3.733 271 E HA 0.287 4.637 4.350 -0.000 0.000 0.172 271 E C -0.491 176.095 176.600 -0.025 0.000 1.032 271 E CA -0.261 56.128 56.400 -0.019 0.000 1.532 271 E CB -0.264 29.424 29.700 -0.020 0.000 1.149 271 E HN 0.357 nan 8.360 nan 0.000 0.373 272 S N -0.578 115.102 115.700 -0.033 0.000 2.690 272 S HA 0.730 5.200 4.470 -0.000 0.000 0.264 272 S C -1.256 173.292 174.600 -0.086 0.000 1.040 272 S CA 0.087 58.251 58.200 -0.059 0.000 0.869 272 S CB 0.627 63.789 63.200 -0.062 0.000 1.132 272 S HN 0.493 nan 8.310 nan 0.000 0.474 273 A N 0.676 123.407 122.820 -0.148 0.000 2.504 273 A HA 0.471 4.791 4.320 -0.000 0.000 0.233 273 A C -0.760 176.634 177.584 -0.317 0.000 1.079 273 A CA 0.296 52.204 52.037 -0.215 0.000 1.080 273 A CB -0.087 18.845 19.000 -0.114 0.000 1.144 273 A HN 1.016 nan 8.150 nan 0.000 0.491 274 V N 1.760 121.514 119.914 -0.267 0.000 2.407 274 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 274 V C -0.096 175.797 176.094 -0.334 0.000 1.037 274 V CA -0.273 61.873 62.300 -0.257 0.000 0.900 274 V CB 0.705 32.445 31.823 -0.138 0.000 0.983 274 V HN 0.539 nan 8.190 nan 0.000 0.459 275 H N 1.812 120.808 119.070 -0.123 0.000 2.467 275 H HA 0.549 5.105 4.556 -0.000 0.000 0.331 275 H C -0.022 174.975 175.328 -0.551 0.000 1.120 275 H CA -0.173 55.675 56.048 -0.333 0.000 1.270 275 H CB 1.525 31.108 29.762 -0.298 0.000 1.466 275 H HN 0.625 nan 8.280 nan 0.000 0.504 276 S N 3.551 118.906 115.700 -0.576 0.000 2.552 276 S HA 0.519 4.989 4.470 -0.000 0.000 0.314 276 S C -1.390 172.861 174.600 -0.581 0.000 1.099 276 S CA -0.570 57.364 58.200 -0.443 0.000 1.070 276 S CB -0.000 63.142 63.200 -0.096 0.000 0.998 276 S HN 0.488 nan 8.310 nan 0.000 0.474 277 F N 1.414 121.246 119.950 -0.196 0.000 2.640 277 F HA 0.518 5.045 4.527 -0.000 0.000 0.324 277 F C 0.347 176.105 175.800 -0.071 0.000 1.077 277 F CA -1.277 56.614 58.000 -0.181 0.000 0.965 277 F CB 1.113 39.945 39.000 -0.280 0.000 1.351 277 F HN 0.388 nan 8.300 nan 0.000 0.487 278 C N 1.265 120.673 119.300 0.179 0.000 2.676 278 C HA 0.146 4.606 4.460 -0.000 0.000 0.416 278 C C 0.596 175.681 174.990 0.157 0.000 1.299 278 C CA -0.046 58.941 59.018 -0.051 0.000 2.048 278 C CB -0.916 26.701 27.740 -0.206 0.000 2.713 278 C HN 0.574 nan 8.230 nan 0.000 0.624 279 H N 0.834 119.914 119.070 0.016 0.000 2.508 279 H HA 0.407 4.963 4.556 0.000 0.000 0.358 279 H C 0.647 175.972 175.328 -0.005 0.000 1.212 279 H CA -0.151 56.000 56.048 0.172 0.000 1.356 279 H CB 1.066 30.931 29.762 0.171 0.000 1.525 279 H HN 0.672 nan 8.280 nan 0.000 0.578 280 A N 4.014 126.929 122.820 0.159 0.000 2.261 280 A HA 0.215 4.535 4.320 -0.000 0.000 0.208 280 A C 0.173 177.612 177.584 -0.242 0.000 1.223 280 A CA 0.104 52.092 52.037 -0.082 0.000 0.833 280 A CB -0.667 18.305 19.000 -0.046 0.000 0.830 280 A HN 0.432 nan 8.150 nan 0.000 0.483 281 L N -0.990 120.025 121.223 -0.347 0.000 2.323 281 L HA 0.445 4.785 4.340 -0.000 0.000 0.265 281 L C -2.697 174.040 176.870 -0.222 0.000 1.012 281 L CA -2.720 51.953 54.840 -0.278 0.000 0.820 281 L CB 2.078 43.941 42.059 -0.327 0.000 1.334 281 L HN -0.138 nan 8.230 nan 0.000 0.427 282 P HA 0.064 nan 4.420 nan 0.000 0.271 282 P C -0.769 176.429 177.300 -0.171 0.000 1.216 282 P CA 0.034 63.035 63.100 -0.166 0.000 0.771 282 P CB 0.458 32.096 31.700 -0.104 0.000 0.864 283 Q N -0.131 119.519 119.800 -0.249 0.000 2.461 283 Q HA -0.224 4.116 4.340 -0.000 0.000 0.273 283 Q C -0.380 175.530 176.000 -0.150 0.000 1.163 283 Q CA 1.283 56.964 55.803 -0.204 0.000 0.929 283 Q CB -1.081 27.664 28.738 0.012 0.000 1.334 283 Q HN 0.523 nan 8.270 nan 0.000 0.499 284 R N -0.756 119.548 120.500 -0.327 0.000 2.686 284 R HA 0.585 4.925 4.340 -0.000 0.000 0.286 284 R C -0.204 176.018 176.300 -0.131 0.000 0.969 284 R CA -0.200 55.880 56.100 -0.032 0.000 0.898 284 R CB 1.324 31.670 30.300 0.078 0.000 1.183 284 R HN 0.120 nan 8.270 nan 0.000 0.456 285 W N 2.206 123.639 121.300 0.222 0.000 3.029 285 W HA 0.349 5.009 4.660 -0.000 0.000 0.339 285 W C 0.146 176.752 176.519 0.144 0.000 1.198 285 W CA -0.273 57.180 57.345 0.181 0.000 1.148 285 W CB 1.763 31.318 29.460 0.158 0.000 1.451 285 W HN 0.610 nan 8.180 nan 0.000 0.564 286 H N -0.066 119.117 119.070 0.189 0.000 3.037 286 H HA 0.563 5.119 4.556 -0.000 0.000 0.355 286 H C -2.020 173.190 175.328 -0.196 0.000 1.263 286 H CA -0.856 55.099 56.048 -0.155 0.000 1.129 286 H CB 1.595 30.991 29.762 -0.610 0.000 1.861 286 H HN 0.222 nan 8.280 nan 0.000 0.546 287 L N 2.383 123.483 121.223 -0.205 0.000 2.334 287 L HA 0.519 4.859 4.340 -0.000 0.000 0.272 287 L C 0.160 176.929 176.870 -0.168 0.000 1.020 287 L CA -0.730 53.983 54.840 -0.211 0.000 0.812 287 L CB 1.421 43.398 42.059 -0.138 0.000 1.264 287 L HN 0.871 nan 8.230 nan 0.000 0.439 288 M N 0.783 120.338 119.600 -0.075 0.000 2.520 288 M HA 0.761 5.241 4.480 -0.000 0.000 0.280 288 M C -1.206 175.151 176.300 0.094 0.000 1.232 288 M CA -0.516 54.803 55.300 0.033 0.000 0.892 288 M CB 2.176 34.880 32.600 0.174 0.000 1.728 288 M HN 0.304 nan 8.290 nan 0.000 0.475 289 S N 1.614 117.398 115.700 0.140 0.000 2.575 289 S HA 0.771 5.241 4.470 -0.000 0.000 0.278 289 S C -1.286 173.413 174.600 0.164 0.000 1.139 289 S CA -0.658 57.616 58.200 0.123 0.000 0.954 289 S CB 1.470 64.715 63.200 0.076 0.000 1.054 289 S HN 0.874 nan 8.310 nan 0.000 0.483 290 V N 6.271 126.285 119.914 0.165 0.000 2.673 290 V HA 0.232 4.352 4.120 -0.000 0.000 0.303 290 V C 0.340 176.504 176.094 0.117 0.000 1.046 290 V CA 0.394 62.786 62.300 0.153 0.000 1.126 290 V CB 0.413 32.336 31.823 0.167 0.000 0.934 290 V HN 0.786 nan 8.190 nan 0.000 0.487 291 M N 4.059 123.727 119.600 0.113 0.000 2.761 291 M HA 0.524 5.004 4.480 -0.000 0.000 0.305 291 M C -0.397 175.955 176.300 0.086 0.000 1.235 291 M CA -0.973 54.379 55.300 0.086 0.000 0.850 291 M CB 1.742 34.394 32.600 0.086 0.000 1.744 291 M HN 0.317 nan 8.290 nan 0.000 0.480 292 L N 1.030 122.297 121.223 0.074 0.000 2.529 292 L HA -0.012 4.328 4.340 -0.000 0.000 0.287 292 L C 0.529 177.452 176.870 0.089 0.000 1.241 292 L CA 0.281 55.166 54.840 0.077 0.000 0.857 292 L CB 0.070 42.175 42.059 0.075 0.000 1.113 292 L HN 0.661 nan 8.230 nan 0.000 0.504 293 S N 2.229 117.975 115.700 0.078 0.000 3.072 293 S HA 0.198 4.668 4.470 -0.000 0.000 0.306 293 S C 1.181 175.827 174.600 0.076 0.000 1.207 293 S CA -0.111 58.136 58.200 0.080 0.000 1.008 293 S CB 1.034 64.274 63.200 0.066 0.000 1.390 293 S HN 0.742 nan 8.310 nan 0.000 0.523 294 A N 3.199 126.087 122.820 0.115 0.000 2.024 294 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 294 A C 2.232 179.809 177.584 -0.011 0.000 1.164 294 A CA 1.662 53.761 52.037 0.103 0.000 0.643 294 A CB -0.687 18.527 19.000 0.358 0.000 0.806 294 A HN 0.798 nan 8.150 nan 0.000 0.451 295 A N -0.491 122.356 122.820 0.045 0.000 1.841 295 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 295 A C 2.458 180.055 177.584 0.021 0.000 1.195 295 A CA 2.061 54.114 52.037 0.026 0.000 0.611 295 A CB -1.061 17.972 19.000 0.056 0.000 0.835 295 A HN 0.824 nan 8.150 nan 0.000 0.443 296 S N -1.813 113.912 115.700 0.042 0.000 2.603 296 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 296 S C 1.559 176.198 174.600 0.066 0.000 0.972 296 S CA 1.084 59.317 58.200 0.054 0.000 0.935 296 S CB -0.822 62.407 63.200 0.049 0.000 0.769 296 S HN 0.577 nan 8.310 nan 0.000 0.536 297 C N 0.277 119.603 119.300 0.043 0.000 2.611 297 C HA 0.349 4.809 4.460 -0.000 0.000 0.283 297 C C 2.480 177.530 174.990 0.099 0.000 1.340 297 C CA -0.066 58.999 59.018 0.079 0.000 1.716 297 C CB -1.301 26.461 27.740 0.036 0.000 2.134 297 C HN 0.569 nan 8.230 nan 0.000 0.526 298 L N 1.198 122.371 121.223 -0.084 0.000 2.021 298 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 298 L C 2.166 179.001 176.870 -0.058 0.000 1.074 298 L CA 1.756 56.496 54.840 -0.167 0.000 0.760 298 L CB -0.950 40.932 42.059 -0.296 0.000 0.889 298 L HN 0.417 nan 8.230 nan 0.000 0.433 299 D N -1.130 119.273 120.400 0.004 0.000 2.182 299 D HA -0.235 4.405 4.640 -0.000 0.000 0.201 299 D C 1.707 178.054 176.300 0.079 0.000 0.986 299 D CA 1.284 55.304 54.000 0.034 0.000 0.847 299 D CB -0.127 40.707 40.800 0.056 0.000 0.942 299 D HN 0.527 nan 8.370 nan 0.000 0.467 300 W N 1.612 122.874 121.300 -0.062 0.000 2.488 300 W HA 0.111 4.771 4.660 -0.000 0.000 0.304 300 W C 2.379 178.863 176.519 -0.059 0.000 1.175 300 W CA 1.528 58.850 57.345 -0.040 0.000 1.365 300 W CB -0.431 29.020 29.460 -0.015 0.000 1.131 300 W HN -0.083 nan 8.180 nan 0.000 0.520 301 A N 1.310 124.058 122.820 -0.121 0.000 2.009 301 A HA -0.230 4.090 4.320 -0.000 0.000 0.222 301 A C 2.042 179.430 177.584 -0.326 0.000 1.175 301 A CA 2.926 54.736 52.037 -0.379 0.000 0.651 301 A CB -1.497 17.388 19.000 -0.191 0.000 0.815 301 A HN 0.524 nan 8.150 nan 0.000 0.459 302 A N 0.034 122.726 122.820 -0.213 0.000 1.840 302 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 302 A C 2.066 179.538 177.584 -0.187 0.000 1.198 302 A CA 2.226 54.163 52.037 -0.165 0.000 0.608 302 A CB -0.426 18.512 19.000 -0.102 0.000 0.839 302 A HN 0.535 nan 8.150 nan 0.000 0.443 303 K N -0.350 119.939 120.400 -0.185 0.000 2.062 303 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 303 K C 1.645 178.105 176.600 -0.234 0.000 1.051 303 K CA 1.385 57.577 56.287 -0.159 0.000 0.941 303 K CB -0.827 31.621 32.500 -0.087 0.000 0.719 303 K HN 0.177 nan 8.250 nan 0.000 0.440 304 L N 1.608 122.570 121.223 -0.434 0.000 2.082 304 L HA -0.251 4.089 4.340 -0.000 0.000 0.223 304 L C 1.851 178.531 176.870 -0.317 0.000 1.086 304 L CA 2.808 57.343 54.840 -0.508 0.000 0.793 304 L CB -1.270 40.192 42.059 -0.995 0.000 0.896 304 L HN 0.661 nan 8.230 nan 0.000 0.441 305 T N -4.117 110.264 114.554 -0.288 0.000 3.163 305 T HA 0.391 4.741 4.350 -0.000 0.000 0.252 305 T C 1.386 175.996 174.700 -0.149 0.000 1.056 305 T CA 0.289 62.266 62.100 -0.205 0.000 0.947 305 T CB -0.245 68.506 68.868 -0.195 0.000 1.016 305 T HN 0.622 nan 8.240 nan 0.000 0.554 306 G N 1.672 110.385 108.800 -0.144 0.000 2.205 306 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.269 306 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.269 306 G C 0.153 175.000 174.900 -0.087 0.000 0.977 306 G CA 0.446 45.486 45.100 -0.100 0.000 0.652 306 G HN 0.646 nan 8.290 nan 0.000 0.539 307 L N 0.269 121.431 121.223 -0.101 0.000 2.483 307 L HA 0.256 4.596 4.340 -0.000 0.000 0.275 307 L C 1.813 178.640 176.870 -0.072 0.000 1.220 307 L CA 0.641 55.431 54.840 -0.084 0.000 0.833 307 L CB 1.013 43.015 42.059 -0.095 0.000 1.102 307 L HN 0.215 nan 8.230 nan 0.000 0.490 308 S N 0.805 116.472 115.700 -0.055 0.000 2.404 308 S HA 0.044 4.514 4.470 -0.000 0.000 0.223 308 S C 0.371 174.949 174.600 -0.036 0.000 1.040 308 S CA 0.226 58.402 58.200 -0.041 0.000 0.957 308 S CB 0.089 63.270 63.200 -0.032 0.000 0.826 308 S HN 0.901 nan 8.310 nan 0.000 0.491 309 N N -0.856 117.821 118.700 -0.038 0.000 2.825 309 N HA 0.170 4.910 4.740 -0.000 0.000 0.253 309 N C -0.045 175.442 175.510 -0.038 0.000 1.426 309 N CA -0.502 52.530 53.050 -0.030 0.000 0.851 309 N CB 1.262 39.737 38.487 -0.019 0.000 1.470 309 N HN -0.083 nan 8.380 nan 0.000 0.517 310 V N 0.136 120.032 119.914 -0.031 0.000 3.305 310 V HA 0.016 4.136 4.120 -0.000 0.000 0.269 310 V C -1.377 174.695 176.094 -0.037 0.000 1.157 310 V CA 1.097 63.370 62.300 -0.044 0.000 1.157 310 V CB -0.861 30.938 31.823 -0.039 0.000 0.772 310 V HN 0.635 nan 8.190 nan 0.000 0.498 311 P HA 0.241 nan 4.420 nan 0.000 0.258 311 P C 1.603 178.887 177.300 -0.027 0.000 1.174 311 P CA 0.859 63.950 63.100 -0.016 0.000 0.899 311 P CB 0.363 32.060 31.700 -0.004 0.000 1.163 312 A N 0.882 123.682 122.820 -0.033 0.000 1.881 312 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 312 A C 2.113 179.666 177.584 -0.052 0.000 1.215 312 A CA 2.274 54.285 52.037 -0.043 0.000 0.648 312 A CB -1.742 17.231 19.000 -0.045 0.000 0.832 312 A HN 0.195 nan 8.150 nan 0.000 0.455 313 L N -0.699 120.488 121.223 -0.060 0.000 1.956 313 L HA -0.170 4.170 4.340 -0.000 0.000 0.216 313 L C 2.243 179.083 176.870 -0.050 0.000 1.073 313 L CA 2.469 57.265 54.840 -0.072 0.000 0.762 313 L CB -0.581 41.421 42.059 -0.095 0.000 0.889 313 L HN 0.323 nan 8.230 nan 0.000 0.433 314 I N -0.089 120.464 120.570 -0.027 0.000 2.502 314 I HA -0.265 3.905 4.170 -0.000 0.000 0.258 314 I C 2.306 178.407 176.117 -0.027 0.000 1.172 314 I CA 1.427 62.749 61.300 0.036 0.000 1.430 314 I CB -0.547 37.508 38.000 0.092 0.000 1.086 314 I HN 0.468 nan 8.210 nan 0.000 0.440 315 A N -0.470 122.316 122.820 -0.057 0.000 1.943 315 A HA 0.165 4.485 4.320 -0.000 0.000 0.213 315 A C 2.484 180.018 177.584 -0.083 0.000 1.181 315 A CA 0.890 52.873 52.037 -0.090 0.000 0.653 315 A CB -0.804 18.154 19.000 -0.070 0.000 0.833 315 A HN 0.354 nan 8.150 nan 0.000 0.451 316 A N 0.332 123.113 122.820 -0.065 0.000 1.917 316 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 316 A C 2.411 179.961 177.584 -0.055 0.000 1.182 316 A CA 2.185 54.185 52.037 -0.061 0.000 0.633 316 A CB -0.924 18.037 19.000 -0.065 0.000 0.819 316 A HN 1.070 nan 8.150 nan 0.000 0.448 317 A N -1.174 121.621 122.820 -0.041 0.000 2.066 317 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 317 A C 2.015 179.592 177.584 -0.013 0.000 1.157 317 A CA 1.418 53.454 52.037 -0.003 0.000 0.670 317 A CB -0.384 18.657 19.000 0.068 0.000 0.804 317 A HN 0.671 nan 8.150 nan 0.000 0.453 318 Q N -0.917 118.829 119.800 -0.091 0.000 2.331 318 Q HA -0.051 4.289 4.340 -0.000 0.000 0.203 318 Q C 1.123 177.076 176.000 -0.079 0.000 0.944 318 Q CA 0.622 56.345 55.803 -0.134 0.000 0.892 318 Q CB 0.088 28.663 28.738 -0.272 0.000 0.983 318 Q HN 0.487 nan 8.270 nan 0.000 0.482 319 Q N -0.076 119.685 119.800 -0.065 0.000 2.415 319 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 319 Q C -0.161 175.820 176.000 -0.033 0.000 0.946 319 Q CA 0.046 55.821 55.803 -0.047 0.000 0.951 319 Q CB -0.134 28.576 28.738 -0.048 0.000 1.026 319 Q HN 0.228 nan 8.270 nan 0.000 0.510 320 A N 1.554 124.359 122.820 -0.025 0.000 2.520 320 A HA 0.000 4.320 4.320 -0.000 0.000 0.245 320 A C 0.118 177.696 177.584 -0.010 0.000 1.072 320 A CA -0.321 51.708 52.037 -0.013 0.000 0.761 320 A CB 0.091 19.091 19.000 0.000 0.000 1.004 320 A HN 0.080 nan 8.150 nan 0.000 0.499 321 D N 2.425 122.819 120.400 -0.010 0.000 2.349 321 D HA -0.000 4.640 4.640 -0.000 0.000 0.266 321 D C 1.010 177.305 176.300 -0.008 0.000 1.293 321 D CA 0.093 54.085 54.000 -0.013 0.000 0.926 321 D CB 0.443 41.229 40.800 -0.023 0.000 1.090 321 D HN 0.523 nan 8.370 nan 0.000 0.502 322 E N 1.861 122.056 120.200 -0.008 0.000 2.209 322 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 322 E C 1.654 178.251 176.600 -0.005 0.000 0.993 322 E CA 0.945 57.341 56.400 -0.006 0.000 0.819 322 E CB 0.009 29.706 29.700 -0.006 0.000 0.745 322 E HN 0.588 nan 8.360 nan 0.000 0.477 323 S N -0.025 115.670 115.700 -0.009 0.000 2.486 323 S HA 0.245 4.715 4.470 -0.000 0.000 0.220 323 S C 1.172 175.762 174.600 -0.015 0.000 1.011 323 S CA 0.194 58.389 58.200 -0.009 0.000 0.921 323 S CB 0.126 63.320 63.200 -0.011 0.000 0.785 323 S HN 0.174 nan 8.310 nan 0.000 0.517 324 A N 2.037 124.841 122.820 -0.027 0.000 2.584 324 A HA 0.194 4.514 4.320 -0.000 0.000 0.239 324 A C 0.315 177.912 177.584 0.021 0.000 1.043 324 A CA -0.030 51.984 52.037 -0.037 0.000 0.756 324 A CB -0.316 18.677 19.000 -0.011 0.000 0.963 324 A HN 0.641 nan 8.150 nan 0.000 0.511 325 E N 2.291 122.508 120.200 0.028 0.000 2.436 325 E HA 0.163 4.513 4.350 -0.000 0.000 0.262 325 E C -2.209 174.485 176.600 0.157 0.000 1.063 325 E CA -0.866 55.592 56.400 0.097 0.000 0.944 325 E CB -0.002 29.767 29.700 0.114 0.000 0.950 325 E HN 0.473 nan 8.360 nan 0.000 0.444 326 P HA 0.000 nan 4.420 nan 0.000 0.271 326 P C -1.003 176.168 177.300 -0.215 0.000 1.216 326 P CA -0.082 62.892 63.100 -0.209 0.000 0.771 326 P CB 0.588 31.969 31.700 -0.531 0.000 0.864 327 V N 3.555 123.259 119.914 -0.351 0.000 2.649 327 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 327 V C -0.305 175.688 176.094 -0.169 0.000 1.055 327 V CA -0.207 61.943 62.300 -0.251 0.000 1.023 327 V CB 0.288 31.898 31.823 -0.356 0.000 0.992 327 V HN 0.540 nan 8.190 nan 0.000 0.480 328 W N 4.036 125.562 121.300 0.377 0.000 2.417 328 W HA 0.544 5.204 4.660 -0.000 0.000 0.315 328 W C -0.550 176.291 176.519 0.536 0.000 1.045 328 W CA -0.594 57.031 57.345 0.466 0.000 1.221 328 W CB 1.166 30.900 29.460 0.457 0.000 1.309 328 W HN 0.468 nan 8.180 nan 0.000 0.453 329 F N 5.213 125.467 119.950 0.506 0.000 2.405 329 F HA 0.585 5.112 4.527 -0.000 0.000 0.355 329 F C -0.717 175.282 175.800 0.333 0.000 1.121 329 F CA -1.222 56.936 58.000 0.263 0.000 1.112 329 F CB 0.505 39.556 39.000 0.085 0.000 1.126 329 F HN 0.114 nan 8.300 nan 0.000 0.481 330 L N 9.069 130.094 121.223 -0.330 0.000 2.301 330 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 330 L C -2.491 173.972 176.870 -0.677 0.000 1.022 330 L CA -1.891 52.772 54.840 -0.297 0.000 0.854 330 L CB 1.140 43.102 42.059 -0.163 0.000 1.226 330 L HN 0.436 nan 8.230 nan 0.000 0.429 331 P HA 0.243 nan 4.420 nan 0.000 0.297 331 P C -1.452 175.695 177.300 -0.255 0.000 1.331 331 P CA -0.410 62.424 63.100 -0.443 0.000 0.803 331 P CB 0.666 32.245 31.700 -0.202 0.000 0.929 332 Y N 2.701 122.961 120.300 -0.067 0.000 2.342 332 Y HA 0.337 4.887 4.550 0.000 0.000 0.338 332 Y C 0.662 176.565 175.900 0.006 0.000 0.965 332 Y CA -0.946 57.153 58.100 -0.003 0.000 1.159 332 Y CB 1.562 39.938 38.460 -0.141 0.000 1.157 332 Y HN 0.249 nan 8.280 nan 0.000 0.486 333 L N 3.384 124.714 121.223 0.178 0.000 2.369 333 L HA 0.331 4.671 4.340 -0.000 0.000 0.279 333 L C 0.364 177.303 176.870 0.114 0.000 1.108 333 L CA 0.537 55.449 54.840 0.121 0.000 0.852 333 L CB 0.207 42.330 42.059 0.107 0.000 1.169 333 L HN 0.591 nan 8.230 nan 0.000 0.452 344 Q N 1.094 120.929 119.800 0.058 0.000 2.478 344 Q HA 0.369 4.709 4.340 -0.000 0.000 0.323 344 Q C -0.473 175.539 176.000 0.019 0.000 1.087 344 Q CA 0.929 56.748 55.803 0.026 0.000 1.056 344 Q CB -0.166 28.588 28.738 0.026 0.000 1.018 344 Q HN 0.412 nan 8.270 nan 0.000 0.387 345 A N 4.880 127.689 122.820 -0.019 0.000 2.374 345 A HA 0.605 4.925 4.320 -0.000 0.000 0.305 345 A C -0.832 176.706 177.584 -0.076 0.000 1.053 345 A CA -0.717 51.302 52.037 -0.030 0.000 0.726 345 A CB 1.274 20.247 19.000 -0.044 0.000 1.229 345 A HN 0.613 nan 8.150 nan 0.000 0.431 346 K N 0.941 121.323 120.400 -0.030 0.000 2.270 346 K HA 0.628 4.948 4.320 -0.000 0.000 0.255 346 K C 0.044 176.630 176.600 -0.024 0.000 0.936 346 K CA -0.336 55.923 56.287 -0.047 0.000 0.809 346 K CB 2.333 34.809 32.500 -0.040 0.000 1.131 346 K HN 0.854 nan 8.250 nan 0.000 0.427 347 G N 0.873 109.620 108.800 -0.089 0.000 2.453 347 G HA2 0.587 4.547 3.960 -0.000 0.000 0.323 347 G HA3 0.587 4.547 3.960 -0.000 0.000 0.323 347 G C -1.238 173.616 174.900 -0.076 0.000 1.198 347 G CA -0.497 44.478 45.100 -0.208 0.000 0.959 347 G HN 0.342 nan 8.290 nan 0.000 0.482 348 V N 0.902 120.722 119.914 -0.157 0.000 2.540 348 V HA 0.434 4.554 4.120 -0.000 0.000 0.302 348 V C -0.959 175.203 176.094 0.113 0.000 1.035 348 V CA -0.668 61.666 62.300 0.056 0.000 0.873 348 V CB 1.648 33.551 31.823 0.134 0.000 0.992 348 V HN 0.647 nan 8.190 nan 0.000 0.428 349 F N 4.677 124.857 119.950 0.384 0.000 2.371 349 F HA 0.496 5.023 4.527 -0.000 0.000 0.363 349 F C -0.231 175.784 175.800 0.358 0.000 1.122 349 F CA -0.287 57.955 58.000 0.404 0.000 1.129 349 F CB 0.905 40.097 39.000 0.321 0.000 1.173 349 F HN 0.477 nan 8.300 nan 0.000 0.489 350 F N 2.552 122.781 119.950 0.465 0.000 2.458 350 F HA 0.612 5.139 4.527 -0.000 0.000 0.336 350 F C 0.491 176.520 175.800 0.381 0.000 1.114 350 F CA -0.672 57.540 58.000 0.353 0.000 0.987 350 F CB 1.627 40.804 39.000 0.296 0.000 1.130 350 F HN 0.591 nan 8.300 nan 0.000 0.458 351 G N 5.469 114.012 108.800 -0.429 0.000 2.203 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.231 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.231 351 G C -0.686 174.244 174.900 0.050 0.000 1.058 351 G CA -0.179 44.773 45.100 -0.246 0.000 0.781 351 G HN 0.739 nan 8.290 nan 0.000 0.496 352 L N 1.320 122.574 121.223 0.052 0.000 2.380 352 L HA 0.684 5.024 4.340 -0.000 0.000 0.273 352 L C 1.147 178.145 176.870 0.213 0.000 1.138 352 L CA 0.345 55.304 54.840 0.199 0.000 0.832 352 L CB 1.114 43.221 42.059 0.080 0.000 1.124 352 L HN 0.471 nan 8.230 nan 0.000 0.454 353 T N -3.299 111.420 114.554 0.276 0.000 2.864 353 T HA 0.242 4.592 4.350 -0.000 0.000 0.289 353 T C 1.087 175.703 174.700 -0.141 0.000 1.082 353 T CA -0.507 61.581 62.100 -0.020 0.000 1.009 353 T CB 1.029 69.805 68.868 -0.154 0.000 1.234 353 T HN 0.743 nan 8.240 nan 0.000 0.526 354 H N 0.119 119.120 119.070 -0.114 0.000 2.496 354 H HA -0.130 4.426 4.556 0.000 0.000 0.296 354 H C 1.208 176.443 175.328 -0.154 0.000 1.107 354 H CA 1.745 57.732 56.048 -0.103 0.000 1.263 354 H CB -0.284 29.432 29.762 -0.076 0.000 1.369 354 H HN 0.689 nan 8.280 nan 0.000 0.541 355 Q N 0.465 119.742 119.800 -0.872 0.000 2.432 355 Q HA 0.003 4.343 4.340 -0.000 0.000 0.205 355 Q C -0.113 175.628 176.000 -0.431 0.000 0.945 355 Q CA 0.205 55.559 55.803 -0.748 0.000 0.924 355 Q CB 0.276 28.487 28.738 -0.877 0.000 1.016 355 Q HN 0.609 nan 8.270 nan 0.000 0.503 356 H N -0.462 118.507 119.070 -0.168 0.000 2.488 356 H HA 0.472 5.028 4.556 -0.000 0.000 0.322 356 H C 0.150 175.407 175.328 -0.118 0.000 1.078 356 H CA -0.067 55.899 56.048 -0.136 0.000 1.260 356 H CB 1.446 31.126 29.762 -0.138 0.000 1.425 356 H HN 0.137 nan 8.280 nan 0.000 0.471 357 G N 2.152 110.960 108.800 0.014 0.000 3.211 357 G HA2 0.257 4.217 3.960 -0.000 0.000 0.262 357 G HA3 0.257 4.217 3.960 -0.000 0.000 0.262 357 G C -1.827 173.025 174.900 -0.081 0.000 1.352 357 G CA -1.459 43.616 45.100 -0.042 0.000 1.004 357 G HN 0.227 nan 8.290 nan 0.000 0.559 358 P HA -0.072 nan 4.420 nan 0.000 0.218 358 P C 1.493 178.729 177.300 -0.107 0.000 1.149 358 P CA 0.856 63.884 63.100 -0.119 0.000 0.817 358 P CB 0.224 31.863 31.700 -0.103 0.000 0.785 359 N N -0.146 118.508 118.700 -0.077 0.000 2.084 359 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 359 N C 1.592 177.067 175.510 -0.058 0.000 1.030 359 N CA 1.350 54.363 53.050 -0.061 0.000 0.849 359 N CB -0.741 37.718 38.487 -0.046 0.000 1.012 359 N HN 0.182 nan 8.380 nan 0.000 0.423 360 E N 0.713 120.880 120.200 -0.055 0.000 2.051 360 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 360 E C 1.985 178.512 176.600 -0.122 0.000 0.991 360 E CA 0.415 56.778 56.400 -0.061 0.000 0.799 360 E CB -0.464 29.236 29.700 0.000 0.000 0.748 360 E HN 0.106 nan 8.360 nan 0.000 0.449 361 L N 0.469 121.582 121.223 -0.183 0.000 2.042 361 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 361 L C 2.156 178.966 176.870 -0.099 0.000 1.076 361 L CA 2.075 56.764 54.840 -0.251 0.000 0.749 361 L CB -1.190 40.639 42.059 -0.383 0.000 0.893 361 L HN 0.159 nan 8.230 nan 0.000 0.432 362 A N -1.413 121.345 122.820 -0.103 0.000 1.898 362 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 362 A C 2.459 180.013 177.584 -0.050 0.000 1.181 362 A CA 1.088 53.071 52.037 -0.089 0.000 0.620 362 A CB -0.415 18.530 19.000 -0.091 0.000 0.819 362 A HN 0.248 nan 8.150 nan 0.000 0.442 363 R N -0.360 120.128 120.500 -0.021 0.000 2.103 363 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 363 R C 2.434 178.741 176.300 0.012 0.000 1.142 363 R CA 1.531 57.640 56.100 0.016 0.000 0.960 363 R CB -0.762 29.550 30.300 0.021 0.000 0.858 363 R HN 0.524 nan 8.270 nan 0.000 0.439 364 A N 0.305 123.140 122.820 0.024 0.000 1.883 364 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 364 A C 2.434 180.104 177.584 0.143 0.000 1.186 364 A CA 1.784 53.890 52.037 0.115 0.000 0.624 364 A CB -0.654 18.490 19.000 0.240 0.000 0.822 364 A HN 0.152 nan 8.150 nan 0.000 0.444 365 V N 0.372 120.289 119.914 0.005 0.000 2.255 365 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 365 V C 2.584 178.634 176.094 -0.073 0.000 1.051 365 V CA 2.056 64.221 62.300 -0.226 0.000 1.018 365 V CB -0.970 30.617 31.823 -0.393 0.000 0.641 365 V HN 0.575 nan 8.190 nan 0.000 0.445 366 L N -0.307 120.853 121.223 -0.105 0.000 2.012 366 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 366 L C 2.647 179.527 176.870 0.017 0.000 1.073 366 L CA 1.984 56.771 54.840 -0.089 0.000 0.748 366 L CB -0.739 41.280 42.059 -0.066 0.000 0.891 366 L HN 0.422 nan 8.230 nan 0.000 0.431 367 E N -0.143 119.984 120.200 -0.122 0.000 2.072 367 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 367 E C 2.222 178.321 176.600 -0.835 0.000 0.985 367 E CA 0.965 57.072 56.400 -0.489 0.000 0.801 367 E CB -0.240 29.253 29.700 -0.344 0.000 0.750 367 E HN 0.555 nan 8.360 nan 0.000 0.452 368 G N 0.975 109.638 108.800 -0.227 0.000 2.402 368 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 368 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 368 G C 1.760 176.643 174.900 -0.028 0.000 1.162 368 G CA 0.564 45.672 45.100 0.014 0.000 0.777 368 G HN 0.095 nan 8.290 nan 0.000 0.539 369 V N 1.803 121.796 119.914 0.132 0.000 2.287 369 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 369 V C 3.181 179.300 176.094 0.041 0.000 1.053 369 V CA 2.066 64.449 62.300 0.138 0.000 1.027 369 V CB -1.207 30.737 31.823 0.201 0.000 0.646 369 V HN 0.432 nan 8.190 nan 0.000 0.447 370 G N -1.015 107.777 108.800 -0.012 0.000 2.529 370 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 370 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 370 G C 1.396 176.105 174.900 -0.317 0.000 1.177 370 G CA 1.449 46.410 45.100 -0.232 0.000 0.773 370 G HN 0.500 nan 8.290 nan 0.000 0.573 371 Y N 1.338 121.375 120.300 -0.439 0.000 2.181 371 Y HA 0.035 4.585 4.550 -0.000 0.000 0.288 371 Y C 3.172 178.677 175.900 -0.659 0.000 1.146 371 Y CA 0.225 57.895 58.100 -0.716 0.000 1.164 371 Y CB -1.200 36.443 38.460 -1.361 0.000 0.982 371 Y HN 0.283 nan 8.280 nan 0.000 0.515 372 A N 0.358 122.927 122.820 -0.417 0.000 1.865 372 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 372 A C 2.386 179.885 177.584 -0.142 0.000 1.191 372 A CA 1.883 53.825 52.037 -0.159 0.000 0.623 372 A CB -1.228 17.755 19.000 -0.029 0.000 0.826 372 A HN 0.453 nan 8.150 nan 0.000 0.444 373 L N -0.907 120.235 121.223 -0.134 0.000 2.046 373 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 373 L C 3.102 179.838 176.870 -0.224 0.000 1.077 373 L CA 1.119 55.867 54.840 -0.153 0.000 0.747 373 L CB -0.598 41.380 42.059 -0.135 0.000 0.896 373 L HN 0.467 nan 8.230 nan 0.000 0.432 374 A N -0.302 122.389 122.820 -0.214 0.000 1.898 374 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 374 A C 1.960 179.431 177.584 -0.188 0.000 1.181 374 A CA 1.855 53.771 52.037 -0.202 0.000 0.620 374 A CB -0.484 18.427 19.000 -0.149 0.000 0.819 374 A HN 0.328 nan 8.150 nan 0.000 0.442 375 D N -0.259 120.048 120.400 -0.156 0.000 2.144 375 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 375 D C 2.090 178.289 176.300 -0.169 0.000 0.984 375 D CA 1.426 55.346 54.000 -0.133 0.000 0.834 375 D CB -0.658 40.082 40.800 -0.101 0.000 0.955 375 D HN 0.424 nan 8.370 nan 0.000 0.465 376 G N 0.654 109.340 108.800 -0.190 0.000 2.446 376 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 376 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 376 G C 1.687 176.407 174.900 -0.300 0.000 1.168 376 G CA 0.690 45.674 45.100 -0.194 0.000 0.771 376 G HN 0.211 nan 8.290 nan 0.000 0.551 377 M N 0.434 119.740 119.600 -0.489 0.000 2.117 377 M HA -0.045 4.435 4.480 -0.000 0.000 0.262 377 M C 2.180 178.021 176.300 -0.766 0.000 1.065 377 M CA 1.386 56.175 55.300 -0.850 0.000 1.114 377 M CB -0.432 31.575 32.600 -0.989 0.000 1.361 377 M HN 0.077 nan 8.290 nan 0.000 0.408 378 D N 0.400 120.553 120.400 -0.412 0.000 2.133 378 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 378 D C 2.079 178.300 176.300 -0.132 0.000 0.997 378 D CA 1.287 55.169 54.000 -0.196 0.000 0.840 378 D CB -0.468 40.277 40.800 -0.090 0.000 0.947 378 D HN 0.149 nan 8.370 nan 0.000 0.452 379 V N 0.599 120.430 119.914 -0.140 0.000 2.287 379 V HA -0.232 3.889 4.120 -0.000 0.000 0.248 379 V C 2.693 178.753 176.094 -0.057 0.000 1.053 379 V CA 1.167 63.416 62.300 -0.084 0.000 1.027 379 V CB -0.580 31.192 31.823 -0.085 0.000 0.646 379 V HN 0.068 nan 8.190 nan 0.000 0.447 380 V N -0.195 119.678 119.914 -0.068 0.000 2.332 380 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 380 V C 2.251 178.415 176.094 0.116 0.000 1.055 380 V CA 2.454 64.771 62.300 0.028 0.000 1.038 380 V CB -0.947 30.976 31.823 0.166 0.000 0.651 380 V HN 0.691 nan 8.190 nan 0.000 0.450 381 H N -0.160 118.950 119.070 0.066 0.000 2.387 381 H HA -0.072 4.484 4.556 0.000 0.000 0.299 381 H C 2.264 177.593 175.328 0.003 0.000 1.090 381 H CA 0.941 57.014 56.048 0.043 0.000 1.332 381 H CB -0.116 29.670 29.762 0.039 0.000 1.386 381 H HN 0.480 nan 8.280 nan 0.000 0.516 382 A N 0.373 123.256 122.820 0.105 0.000 2.125 382 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 382 A C 2.214 179.801 177.584 0.006 0.000 1.156 382 A CA 1.092 53.151 52.037 0.038 0.000 0.671 382 A CB -0.827 18.178 19.000 0.008 0.000 0.794 382 A HN 0.526 nan 8.150 nan 0.000 0.459 383 C N -1.999 117.303 119.300 0.004 0.000 2.481 383 C HA 0.410 4.870 4.460 -0.000 0.000 0.275 383 C C 1.888 176.849 174.990 -0.050 0.000 1.419 383 C CA 0.635 59.628 59.018 -0.041 0.000 1.773 383 C CB -0.782 26.923 27.740 -0.057 0.000 1.862 383 C HN 1.038 nan 8.230 nan 0.000 0.530 384 G N 0.035 108.827 108.800 -0.014 0.000 2.165 384 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.144 384 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.144 384 G C -0.319 174.573 174.900 -0.012 0.000 1.049 384 G CA -0.628 44.456 45.100 -0.027 0.000 0.741 384 G HN 0.301 nan 8.290 nan 0.000 0.493 385 I N 0.460 121.048 120.570 0.030 0.000 2.359 385 I HA 0.584 4.754 4.170 -0.000 0.000 0.294 385 I C -0.021 176.057 176.117 -0.065 0.000 0.987 385 I CA -0.803 60.513 61.300 0.027 0.000 1.225 385 I CB 1.833 39.911 38.000 0.129 0.000 1.366 385 I HN 0.070 nan 8.210 nan 0.000 0.466 386 K N 8.915 129.254 120.400 -0.101 0.000 2.675 386 K HA 0.461 4.781 4.320 -0.000 0.000 0.224 386 K C -2.763 173.754 176.600 -0.139 0.000 1.003 386 K CA -1.667 54.520 56.287 -0.167 0.000 1.034 386 K CB 1.052 33.494 32.500 -0.097 0.000 1.218 386 K HN 0.188 nan 8.250 nan 0.000 0.507 387 P HA 0.179 nan 4.420 nan 0.000 0.279 387 P C -0.175 177.087 177.300 -0.063 0.000 1.239 387 P CA -0.263 62.788 63.100 -0.082 0.000 0.789 387 P CB 1.487 33.168 31.700 -0.032 0.000 0.933 388 Q N 0.275 120.058 119.800 -0.028 0.000 2.123 388 Q HA 0.052 4.392 4.340 -0.000 0.000 0.199 388 Q C 0.657 176.653 176.000 -0.007 0.000 0.966 388 Q CA 0.988 56.779 55.803 -0.020 0.000 0.845 388 Q CB 0.049 28.781 28.738 -0.010 0.000 0.907 388 Q HN 0.394 nan 8.270 nan 0.000 0.439 389 S N -1.024 114.683 115.700 0.013 0.000 2.638 389 S HA 0.503 4.973 4.470 -0.000 0.000 0.274 389 S C -1.521 173.119 174.600 0.068 0.000 1.157 389 S CA -0.746 57.474 58.200 0.033 0.000 0.826 389 S CB 2.188 65.408 63.200 0.032 0.000 1.139 389 S HN -0.063 nan 8.310 nan 0.000 0.474 390 V N 2.293 122.262 119.914 0.091 0.000 2.378 390 V HA 0.401 4.521 4.120 -0.000 0.000 0.288 390 V C 0.187 176.349 176.094 0.112 0.000 1.016 390 V CA -0.536 61.848 62.300 0.141 0.000 0.840 390 V CB 1.542 33.486 31.823 0.201 0.000 0.994 390 V HN 0.935 nan 8.190 nan 0.000 0.431 391 T N 6.251 120.867 114.554 0.102 0.000 2.867 391 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 391 T C -0.393 174.371 174.700 0.108 0.000 0.989 391 T CA 0.469 62.620 62.100 0.086 0.000 1.159 391 T CB 0.125 69.023 68.868 0.049 0.000 0.928 391 T HN 0.359 nan 8.240 nan 0.000 0.538 392 L N 7.215 128.513 121.223 0.125 0.000 2.343 392 L HA 0.712 5.052 4.340 -0.000 0.000 0.278 392 L C -0.668 176.328 176.870 0.210 0.000 0.996 392 L CA -0.516 54.414 54.840 0.150 0.000 0.831 392 L CB 0.638 42.776 42.059 0.131 0.000 1.232 392 L HN 0.671 nan 8.230 nan 0.000 0.413 393 I N 1.700 122.367 120.570 0.161 0.000 3.264 393 I HA 1.081 5.251 4.170 -0.000 0.000 0.315 393 I C 0.201 176.411 176.117 0.154 0.000 1.154 393 I CA -0.579 60.815 61.300 0.156 0.000 0.962 393 I CB 2.034 40.070 38.000 0.061 0.000 1.265 393 I HN 0.838 nan 8.210 nan 0.000 0.463 394 G N 0.703 109.589 108.800 0.144 0.000 2.570 394 G HA2 0.171 4.131 3.960 -0.000 0.000 0.686 394 G HA3 0.171 4.131 3.960 -0.000 0.000 0.686 394 G C 0.292 175.280 174.900 0.147 0.000 1.257 394 G CA -0.340 44.833 45.100 0.122 0.000 0.846 394 G HN 1.424 nan 8.290 nan 0.000 0.627 395 G N -0.258 108.609 108.800 0.111 0.000 2.432 395 G HA2 0.239 4.199 3.960 -0.000 0.000 0.219 395 G HA3 0.239 4.199 3.960 -0.000 0.000 0.219 395 G C 1.943 176.903 174.900 0.101 0.000 1.135 395 G CA 1.889 47.050 45.100 0.101 0.000 0.767 395 G HN 1.950 nan 8.290 nan 0.000 0.550 396 G N 0.783 109.650 108.800 0.113 0.000 2.479 396 G HA2 0.083 4.043 3.960 -0.000 0.000 0.220 396 G HA3 0.083 4.043 3.960 -0.000 0.000 0.220 396 G C 1.648 176.694 174.900 0.243 0.000 1.115 396 G CA 1.185 46.367 45.100 0.137 0.000 0.757 396 G HN 0.660 nan 8.290 nan 0.000 0.560 397 A N 0.713 123.651 122.820 0.197 0.000 2.278 397 A HA 0.216 4.536 4.320 -0.000 0.000 0.212 397 A C 2.260 179.787 177.584 -0.095 0.000 1.213 397 A CA 0.795 52.903 52.037 0.118 0.000 0.840 397 A CB -0.240 18.874 19.000 0.190 0.000 0.866 397 A HN 0.491 nan 8.150 nan 0.000 0.489 398 R N -0.670 119.838 120.500 0.013 0.000 2.093 398 R HA 0.050 4.390 4.340 -0.000 0.000 0.224 398 R C 0.852 177.102 176.300 -0.084 0.000 1.101 398 R CA 1.135 57.222 56.100 -0.021 0.000 0.979 398 R CB -0.659 29.690 30.300 0.082 0.000 0.877 398 R HN 0.277 nan 8.270 nan 0.000 0.441 399 S N 1.351 117.049 115.700 -0.003 0.000 2.498 399 S HA -0.029 4.441 4.470 -0.000 0.000 0.281 399 S C 0.936 175.537 174.600 0.002 0.000 1.265 399 S CA -0.343 57.883 58.200 0.044 0.000 1.071 399 S CB 1.083 64.356 63.200 0.122 0.000 0.894 399 S HN 0.491 nan 8.310 nan 0.000 0.491 400 E N 4.411 124.631 120.200 0.034 0.000 2.077 400 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 400 E C 1.273 177.941 176.600 0.114 0.000 0.989 400 E CA 1.347 57.791 56.400 0.075 0.000 0.800 400 E CB -0.276 29.509 29.700 0.141 0.000 0.746 400 E HN 0.947 nan 8.360 nan 0.000 0.452 401 Y N -0.106 120.221 120.300 0.045 0.000 2.114 401 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 401 Y C 1.872 177.814 175.900 0.071 0.000 1.165 401 Y CA 2.116 60.254 58.100 0.062 0.000 1.148 401 Y CB -0.753 37.749 38.460 0.070 0.000 0.972 401 Y HN 0.273 nan 8.280 nan 0.000 0.504 402 W N 1.337 122.483 121.300 -0.257 0.000 2.418 402 W HA -0.039 4.621 4.660 -0.000 0.000 0.292 402 W C 2.417 178.711 176.519 -0.375 0.000 1.213 402 W CA 1.704 58.824 57.345 -0.376 0.000 1.283 402 W CB -0.404 28.921 29.460 -0.225 0.000 1.119 402 W HN -0.089 nan 8.180 nan 0.000 0.542 403 R N -0.202 120.046 120.500 -0.419 0.000 2.103 403 R HA -0.256 4.084 4.340 -0.000 0.000 0.242 403 R C 2.072 177.919 176.300 -0.754 0.000 1.142 403 R CA 2.017 57.690 56.100 -0.712 0.000 0.960 403 R CB -0.694 29.091 30.300 -0.859 0.000 0.858 403 R HN 0.191 nan 8.270 nan 0.000 0.439 404 Q N 0.808 120.270 119.800 -0.562 0.000 2.083 404 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 404 Q C 2.019 177.861 176.000 -0.264 0.000 0.969 404 Q CA 1.530 57.179 55.803 -0.256 0.000 0.838 404 Q CB -0.159 28.585 28.738 0.010 0.000 0.900 404 Q HN 0.270 nan 8.270 nan 0.000 0.436 405 M N -0.769 118.594 119.600 -0.394 0.000 2.106 405 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 405 M C 1.247 177.252 176.300 -0.493 0.000 1.068 405 M CA 1.420 56.478 55.300 -0.403 0.000 1.100 405 M CB -0.086 32.220 32.600 -0.490 0.000 1.351 405 M HN 0.365 nan 8.290 nan 0.000 0.404 406 L N 0.632 121.448 121.223 -0.678 0.000 2.083 406 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 406 L C 2.740 179.378 176.870 -0.387 0.000 1.083 406 L CA 2.100 56.546 54.840 -0.656 0.000 0.752 406 L CB -1.283 40.257 42.059 -0.865 0.000 0.899 406 L HN 0.414 nan 8.230 nan 0.000 0.433 407 A N -1.079 121.561 122.820 -0.300 0.000 1.929 407 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 407 A C 1.994 179.546 177.584 -0.054 0.000 1.176 407 A CA 1.575 53.525 52.037 -0.144 0.000 0.628 407 A CB -0.489 18.465 19.000 -0.076 0.000 0.816 407 A HN 0.381 nan 8.150 nan 0.000 0.444 408 D N 0.200 120.579 120.400 -0.035 0.000 2.097 408 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 408 D C 1.884 178.299 176.300 0.191 0.000 0.984 408 D CA 1.092 55.170 54.000 0.130 0.000 0.826 408 D CB -0.352 40.571 40.800 0.206 0.000 0.973 408 D HN 0.488 nan 8.370 nan 0.000 0.460 409 I N 1.025 121.522 120.570 -0.121 0.000 2.179 409 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 409 I C 2.419 178.552 176.117 0.026 0.000 1.088 409 I CA 1.469 62.640 61.300 -0.216 0.000 1.357 409 I CB -0.168 37.535 38.000 -0.495 0.000 1.051 409 I HN 0.030 nan 8.210 nan 0.000 0.409 410 S N -0.053 115.642 115.700 -0.008 0.000 2.478 410 S HA 0.116 4.586 4.470 -0.000 0.000 0.222 410 S C 1.734 176.404 174.600 0.116 0.000 1.008 410 S CA 0.542 58.752 58.200 0.017 0.000 0.928 410 S CB 0.414 63.558 63.200 -0.093 0.000 0.781 410 S HN 0.607 nan 8.310 nan 0.000 0.518 411 G N 0.189 109.046 108.800 0.095 0.000 2.148 411 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 411 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 411 G C -0.170 174.655 174.900 -0.124 0.000 0.981 411 G CA 0.398 45.393 45.100 -0.174 0.000 0.670 411 G HN 0.721 nan 8.290 nan 0.000 0.528 412 Q N -0.085 119.681 119.800 -0.057 0.000 2.316 412 Q HA 0.584 4.924 4.340 -0.000 0.000 0.264 412 Q C 0.148 176.130 176.000 -0.029 0.000 0.987 412 Q CA -0.586 55.197 55.803 -0.033 0.000 0.852 412 Q CB 1.022 29.759 28.738 -0.002 0.000 1.287 412 Q HN 0.428 nan 8.270 nan 0.000 0.448 413 Q N 3.887 123.679 119.800 -0.014 0.000 2.262 413 Q HA 0.214 4.554 4.340 -0.000 0.000 0.272 413 Q C -1.187 174.834 176.000 0.034 0.000 1.076 413 Q CA 0.088 55.898 55.803 0.011 0.000 0.905 413 Q CB 0.328 29.070 28.738 0.007 0.000 1.182 413 Q HN 0.617 nan 8.270 nan 0.000 0.390 414 L N 4.587 125.844 121.223 0.057 0.000 2.276 414 L HA 0.374 4.714 4.340 -0.000 0.000 0.286 414 L C -0.719 176.241 176.870 0.150 0.000 1.024 414 L CA -0.882 53.999 54.840 0.068 0.000 0.826 414 L CB 1.379 43.423 42.059 -0.026 0.000 1.211 414 L HN 0.543 nan 8.230 nan 0.000 0.422 415 D N 2.702 123.179 120.400 0.128 0.000 2.365 415 D HA 0.085 4.725 4.640 -0.000 0.000 0.237 415 D C -0.476 175.944 176.300 0.199 0.000 1.190 415 D CA -0.075 54.008 54.000 0.139 0.000 0.867 415 D CB 0.958 41.805 40.800 0.078 0.000 1.050 415 D HN 0.221 nan 8.370 nan 0.000 0.491 416 Y N 3.597 123.959 120.300 0.103 0.000 2.402 416 Y HA 0.212 4.762 4.550 0.000 0.000 0.333 416 Y C 0.147 176.079 175.900 0.054 0.000 1.076 416 Y CA -0.177 57.975 58.100 0.088 0.000 1.299 416 Y CB 0.406 38.950 38.460 0.138 0.000 1.197 416 Y HN 0.188 nan 8.280 nan 0.000 0.517 417 R N 2.573 122.849 120.500 -0.374 0.000 2.837 417 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 417 R C -0.751 175.216 176.300 -0.556 0.000 0.993 417 R CA -1.013 54.848 56.100 -0.398 0.000 0.931 417 R CB 1.661 31.865 30.300 -0.160 0.000 1.206 417 R HN 0.642 nan 8.270 nan 0.000 0.474 418 T N -1.753 112.579 114.554 -0.370 0.000 2.925 418 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 418 T C 0.860 175.481 174.700 -0.132 0.000 1.021 418 T CA -0.118 61.834 62.100 -0.246 0.000 1.042 418 T CB 1.708 70.467 68.868 -0.181 0.000 1.037 418 T HN 0.854 nan 8.240 nan 0.000 0.481 419 G N 0.186 108.936 108.800 -0.084 0.000 2.135 419 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.183 419 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.183 419 G C 0.712 175.581 174.900 -0.052 0.000 1.004 419 G CA -0.136 44.929 45.100 -0.059 0.000 0.677 419 G HN 1.301 nan 8.290 nan 0.000 0.512 420 G N 0.660 109.435 108.800 -0.042 0.000 3.181 420 G HA2 0.295 4.255 3.960 -0.000 0.000 0.219 420 G HA3 0.295 4.255 3.960 -0.000 0.000 0.219 420 G C 1.254 176.141 174.900 -0.022 0.000 1.182 420 G CA 1.186 46.265 45.100 -0.034 0.000 0.791 420 G HN 0.669 nan 8.290 nan 0.000 0.537 421 D N 0.855 121.244 120.400 -0.019 0.000 2.117 421 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 421 D C 2.327 178.613 176.300 -0.023 0.000 0.987 421 D CA 0.875 54.867 54.000 -0.012 0.000 0.829 421 D CB -0.580 40.215 40.800 -0.008 0.000 0.961 421 D HN 0.209 nan 8.370 nan 0.000 0.460 422 V N 0.736 120.629 119.914 -0.035 0.000 2.343 422 V HA 0.081 4.201 4.120 -0.000 0.000 0.247 422 V C 1.789 177.855 176.094 -0.047 0.000 1.051 422 V CA 1.568 63.843 62.300 -0.041 0.000 1.036 422 V CB -1.409 30.386 31.823 -0.047 0.000 0.654 422 V HN 0.775 nan 8.190 nan 0.000 0.451 423 G N -0.899 107.868 108.800 -0.055 0.000 2.582 423 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.222 423 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.222 423 G C -1.981 172.871 174.900 -0.080 0.000 1.311 423 G CA -0.234 44.828 45.100 -0.064 0.000 0.915 423 G HN 0.184 nan 8.290 nan 0.000 0.528 424 P HA -0.014 nan 4.420 nan 0.000 0.218 424 P C 2.203 179.449 177.300 -0.089 0.000 1.146 424 P CA 2.908 65.949 63.100 -0.099 0.000 0.813 424 P CB -0.160 31.479 31.700 -0.102 0.000 0.778 425 A N -0.550 122.224 122.820 -0.078 0.000 1.940 425 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 425 A C 2.099 179.640 177.584 -0.071 0.000 1.176 425 A CA 1.568 53.562 52.037 -0.072 0.000 0.631 425 A CB -1.633 17.326 19.000 -0.067 0.000 0.814 425 A HN 0.163 nan 8.150 nan 0.000 0.446 426 L N 0.129 121.308 121.223 -0.073 0.000 1.989 426 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 426 L C 2.467 179.283 176.870 -0.089 0.000 1.071 426 L CA 2.572 57.367 54.840 -0.076 0.000 0.749 426 L CB -1.261 40.753 42.059 -0.075 0.000 0.890 426 L HN 0.315 nan 8.230 nan 0.000 0.431 427 G N -1.337 107.405 108.800 -0.098 0.000 2.440 427 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 427 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 427 G C 1.626 176.465 174.900 -0.101 0.000 1.154 427 G CA 1.057 46.092 45.100 -0.107 0.000 0.767 427 G HN 0.700 nan 8.290 nan 0.000 0.552 428 A N 1.335 124.101 122.820 -0.089 0.000 1.892 428 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 428 A C 2.848 180.389 177.584 -0.073 0.000 1.188 428 A CA 2.773 54.764 52.037 -0.077 0.000 0.631 428 A CB -0.976 17.984 19.000 -0.066 0.000 0.822 428 A HN 0.921 nan 8.150 nan 0.000 0.447 429 A N -1.227 121.552 122.820 -0.070 0.000 1.898 429 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 429 A C 2.164 179.663 177.584 -0.142 0.000 1.181 429 A CA 1.639 53.637 52.037 -0.064 0.000 0.620 429 A CB -0.436 18.542 19.000 -0.036 0.000 0.819 429 A HN 0.346 nan 8.150 nan 0.000 0.442 430 R N -0.169 120.244 120.500 -0.145 0.000 2.091 430 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 430 R C 1.999 178.190 176.300 -0.182 0.000 1.136 430 R CA 1.293 57.286 56.100 -0.179 0.000 0.959 430 R CB -1.229 28.985 30.300 -0.142 0.000 0.856 430 R HN 0.626 nan 8.270 nan 0.000 0.437 431 L N -0.271 120.867 121.223 -0.141 0.000 2.046 431 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 431 L C 2.474 179.274 176.870 -0.117 0.000 1.077 431 L CA 1.415 56.181 54.840 -0.123 0.000 0.747 431 L CB -0.568 41.429 42.059 -0.103 0.000 0.896 431 L HN 0.152 nan 8.230 nan 0.000 0.432 432 A N -0.757 121.999 122.820 -0.107 0.000 1.902 432 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 432 A C 2.221 179.719 177.584 -0.143 0.000 1.181 432 A CA 1.443 53.443 52.037 -0.061 0.000 0.623 432 A CB -0.493 18.525 19.000 0.030 0.000 0.818 432 A HN 0.439 nan 8.150 nan 0.000 0.443 433 Q N -0.475 119.069 119.800 -0.427 0.000 2.062 433 Q HA -0.226 4.114 4.340 -0.000 0.000 0.209 433 Q C 2.121 177.959 176.000 -0.272 0.000 0.996 433 Q CA 1.973 57.389 55.803 -0.645 0.000 0.859 433 Q CB -0.418 27.901 28.738 -0.698 0.000 0.920 433 Q HN 0.765 nan 8.270 nan 0.000 0.415 434 I N 0.244 120.698 120.570 -0.193 0.000 2.127 434 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 434 I C 2.460 178.534 176.117 -0.071 0.000 1.075 434 I CA 1.215 62.445 61.300 -0.118 0.000 1.334 434 I CB -0.575 37.360 38.000 -0.108 0.000 1.040 434 I HN 0.194 nan 8.210 nan 0.000 0.405 435 A N 0.626 123.412 122.820 -0.058 0.000 1.933 435 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 435 A C 2.451 180.038 177.584 0.005 0.000 1.175 435 A CA 1.898 53.922 52.037 -0.022 0.000 0.628 435 A CB -0.735 18.255 19.000 -0.017 0.000 0.814 435 A HN 0.483 nan 8.150 nan 0.000 0.444 436 A N -0.608 122.228 122.820 0.026 0.000 2.119 436 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 436 A C 0.696 178.319 177.584 0.064 0.000 1.152 436 A CA 1.033 53.121 52.037 0.086 0.000 0.708 436 A CB -0.334 18.810 19.000 0.239 0.000 0.805 436 A HN 0.596 nan 8.150 nan 0.000 0.460 437 N N -0.154 118.557 118.700 0.018 0.000 2.813 437 N HA 0.231 4.971 4.740 -0.000 0.000 0.282 437 N C -2.396 173.109 175.510 -0.009 0.000 1.748 437 N CA -1.183 51.873 53.050 0.010 0.000 0.860 437 N CB 1.419 39.906 38.487 -0.000 0.000 1.204 437 N HN 0.157 nan 8.380 nan 0.000 0.490 438 P HA -0.161 nan 4.420 nan 0.000 0.226 438 P C 0.876 178.170 177.300 -0.009 0.000 1.153 438 P CA 1.084 64.179 63.100 -0.008 0.000 0.777 438 P CB 0.465 32.164 31.700 -0.001 0.000 0.794 439 E N 0.848 121.045 120.200 -0.005 0.000 2.318 439 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 439 E C 0.351 176.945 176.600 -0.010 0.000 0.998 439 E CA 0.475 56.871 56.400 -0.005 0.000 0.859 439 E CB -0.205 29.494 29.700 -0.001 0.000 0.812 439 E HN 0.205 nan 8.360 nan 0.000 0.492 440 K N 1.635 122.027 120.400 -0.014 0.000 2.154 440 K HA 0.195 4.515 4.320 -0.000 0.000 0.264 440 K C 0.309 176.893 176.600 -0.027 0.000 1.008 440 K CA -0.097 56.178 56.287 -0.020 0.000 0.937 440 K CB 1.226 33.712 32.500 -0.024 0.000 1.002 440 K HN 0.129 nan 8.250 nan 0.000 0.469 441 S N 1.540 117.225 115.700 -0.026 0.000 2.652 441 S HA 0.192 4.662 4.470 -0.000 0.000 0.270 441 S C 1.295 175.871 174.600 -0.039 0.000 1.243 441 S CA -0.765 57.418 58.200 -0.029 0.000 0.999 441 S CB 0.545 63.731 63.200 -0.022 0.000 0.973 441 S HN 0.564 nan 8.310 nan 0.000 0.544 442 L N 0.713 121.911 121.223 -0.042 0.000 2.093 442 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 442 L C 2.107 178.950 176.870 -0.046 0.000 1.085 442 L CA 0.744 55.553 54.840 -0.052 0.000 0.755 442 L CB -0.973 41.054 42.059 -0.053 0.000 0.904 442 L HN 0.597 nan 8.230 nan 0.000 0.435 443 I N 0.596 121.146 120.570 -0.033 0.000 2.143 443 I HA -0.348 3.822 4.170 -0.000 0.000 0.245 443 I C 2.512 178.609 176.117 -0.033 0.000 1.068 443 I CA 1.575 62.858 61.300 -0.028 0.000 1.326 443 I CB -0.921 37.067 38.000 -0.020 0.000 1.028 443 I HN 0.296 nan 8.210 nan 0.000 0.412 444 E N 0.100 120.279 120.200 -0.034 0.000 2.047 444 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 444 E C 2.202 178.774 176.600 -0.048 0.000 0.987 444 E CA 1.221 57.600 56.400 -0.035 0.000 0.799 444 E CB -0.248 29.434 29.700 -0.031 0.000 0.752 444 E HN 0.469 nan 8.360 nan 0.000 0.449 445 L N 0.069 121.254 121.223 -0.062 0.000 2.513 445 L HA 0.139 4.479 4.340 -0.000 0.000 0.222 445 L C 0.797 177.612 176.870 -0.092 0.000 1.096 445 L CA 0.062 54.850 54.840 -0.086 0.000 0.857 445 L CB 0.447 42.440 42.059 -0.110 0.000 1.026 445 L HN 0.004 nan 8.230 nan 0.000 0.469 446 L N 2.389 123.566 121.223 -0.076 0.000 2.581 446 L HA 0.353 4.693 4.340 -0.000 0.000 0.241 446 L C -2.303 174.532 176.870 -0.058 0.000 1.265 446 L CA -1.429 53.366 54.840 -0.075 0.000 0.954 446 L CB 0.431 42.443 42.059 -0.079 0.000 1.269 446 L HN -0.091 nan 8.230 nan 0.000 0.475 447 P HA 0.174 nan 4.420 nan 0.000 0.277 447 P C -0.544 176.729 177.300 -0.045 0.000 1.240 447 P CA -0.476 62.597 63.100 -0.044 0.000 0.798 447 P CB 1.201 32.875 31.700 -0.043 0.000 0.979 448 Q N 0.475 120.252 119.800 -0.037 0.000 2.474 448 Q HA 0.186 4.526 4.340 -0.000 0.000 0.256 448 Q C 0.059 176.032 176.000 -0.045 0.000 1.048 448 Q CA 0.052 55.832 55.803 -0.038 0.000 0.922 448 Q CB 0.061 28.783 28.738 -0.028 0.000 1.288 448 Q HN 0.341 nan 8.270 nan 0.000 0.484 449 L N 3.160 124.352 121.223 -0.052 0.000 2.474 449 L HA 0.244 4.584 4.340 -0.000 0.000 0.259 449 L C -1.889 174.944 176.870 -0.062 0.000 1.232 449 L CA -1.833 52.970 54.840 -0.062 0.000 0.821 449 L CB -0.228 41.786 42.059 -0.076 0.000 1.108 449 L HN 0.545 nan 8.230 nan 0.000 0.495 450 P HA 0.014 nan 4.420 nan 0.000 0.266 450 P C -0.422 176.830 177.300 -0.080 0.000 1.215 450 P CA 0.080 63.140 63.100 -0.066 0.000 0.763 450 P CB 0.374 32.033 31.700 -0.068 0.000 0.806 451 L N 3.418 124.608 121.223 -0.053 0.000 2.597 451 L HA -0.067 4.273 4.340 -0.000 0.000 0.271 451 L C 1.509 178.355 176.870 -0.040 0.000 1.157 451 L CA 0.426 55.241 54.840 -0.041 0.000 0.928 451 L CB 0.462 42.510 42.059 -0.018 0.000 1.216 451 L HN 0.385 nan 8.230 nan 0.000 0.481 452 E N 3.382 123.552 120.200 -0.049 0.000 2.162 452 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 452 E C -0.114 176.529 176.600 0.071 0.000 0.953 452 E CA 0.625 57.018 56.400 -0.011 0.000 0.849 452 E CB 0.492 30.134 29.700 -0.098 0.000 0.810 452 E HN 0.655 nan 8.360 nan 0.000 0.470 453 Q N -0.575 119.295 119.800 0.115 0.000 2.468 453 Q HA 0.349 4.689 4.340 -0.000 0.000 0.263 453 Q C -1.687 174.330 176.000 0.029 0.000 0.979 453 Q CA -0.344 55.488 55.803 0.049 0.000 0.932 453 Q CB 1.530 30.298 28.738 0.050 0.000 1.462 453 Q HN 0.011 nan 8.270 nan 0.000 0.403 454 S N 2.529 118.180 115.700 -0.081 0.000 2.433 454 S HA 0.448 4.918 4.470 -0.000 0.000 0.310 454 S C -1.286 173.220 174.600 -0.156 0.000 1.097 454 S CA -0.478 57.698 58.200 -0.041 0.000 1.103 454 S CB 0.447 63.638 63.200 -0.015 0.000 0.992 454 S HN 0.429 nan 8.310 nan 0.000 0.469 455 H N 3.707 122.783 119.070 0.010 0.000 2.597 455 H HA 0.334 4.891 4.556 0.000 0.000 0.303 455 H C -0.536 174.779 175.328 -0.021 0.000 1.057 455 H CA -0.310 55.731 56.048 -0.011 0.000 1.261 455 H CB 0.835 30.575 29.762 -0.038 0.000 1.397 455 H HN 0.351 nan 8.280 nan 0.000 0.461 456 L N 5.861 127.120 121.223 0.059 0.000 2.312 456 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 456 L C -1.917 174.971 176.870 0.030 0.000 1.070 456 L CA -1.934 52.922 54.840 0.026 0.000 0.805 456 L CB 1.090 43.149 42.059 0.001 0.000 1.174 456 L HN 0.415 nan 8.230 nan 0.000 0.434 457 P HA -0.021 nan 4.420 nan 0.000 0.263 457 P C -1.086 176.228 177.300 0.024 0.000 1.195 457 P CA -0.178 62.923 63.100 0.000 0.000 0.762 457 P CB 0.317 31.964 31.700 -0.088 0.000 0.799 458 D N 2.421 122.865 120.400 0.073 0.000 2.348 458 D HA 0.271 4.911 4.640 -0.000 0.000 0.253 458 D C 1.266 177.636 176.300 0.116 0.000 1.161 458 D CA -0.209 53.841 54.000 0.083 0.000 0.876 458 D CB 0.747 41.604 40.800 0.095 0.000 1.160 458 D HN 0.298 nan 8.370 nan 0.000 0.459 459 A N 3.571 126.442 122.820 0.085 0.000 1.969 459 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 459 A C 1.907 179.582 177.584 0.151 0.000 1.169 459 A CA 1.305 53.407 52.037 0.109 0.000 0.635 459 A CB -0.371 18.666 19.000 0.061 0.000 0.810 459 A HN 0.779 nan 8.150 nan 0.000 0.445 460 Q N -0.810 119.053 119.800 0.105 0.000 2.049 460 Q HA -0.072 4.268 4.340 -0.000 0.000 0.198 460 Q C 2.335 178.381 176.000 0.077 0.000 0.971 460 Q CA 1.092 56.942 55.803 0.079 0.000 0.833 460 Q CB -0.167 28.601 28.738 0.049 0.000 0.896 460 Q HN 0.542 nan 8.270 nan 0.000 0.434 461 R N -0.248 120.311 120.500 0.097 0.000 2.115 461 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 461 R C 2.126 178.545 176.300 0.198 0.000 1.111 461 R CA 1.009 57.159 56.100 0.083 0.000 0.976 461 R CB -0.377 30.004 30.300 0.135 0.000 0.870 461 R HN 0.342 nan 8.270 nan 0.000 0.445 462 Y N 1.662 122.044 120.300 0.137 0.000 2.128 462 Y HA -0.246 4.304 4.550 0.000 0.000 0.284 462 Y C 2.354 178.329 175.900 0.126 0.000 1.154 462 Y CA 1.534 59.728 58.100 0.156 0.000 1.149 462 Y CB -0.408 38.104 38.460 0.088 0.000 0.976 462 Y HN 0.037 nan 8.280 nan 0.000 0.505 463 A N 0.568 123.419 122.820 0.052 0.000 1.933 463 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 463 A C 2.387 179.922 177.584 -0.082 0.000 1.175 463 A CA 1.877 53.881 52.037 -0.054 0.000 0.628 463 A CB -1.492 17.537 19.000 0.048 0.000 0.814 463 A HN 0.645 nan 8.150 nan 0.000 0.444 464 A N -2.036 120.743 122.820 -0.067 0.000 2.015 464 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 464 A C 2.004 179.508 177.584 -0.134 0.000 1.163 464 A CA 1.276 53.240 52.037 -0.122 0.000 0.646 464 A CB -0.645 18.239 19.000 -0.193 0.000 0.806 464 A HN 0.648 nan 8.150 nan 0.000 0.448 465 Y N -0.668 119.598 120.300 -0.056 0.000 2.475 465 Y HA -0.104 4.446 4.550 -0.000 0.000 0.289 465 Y C 2.751 178.582 175.900 -0.114 0.000 1.121 465 Y CA 0.687 58.772 58.100 -0.025 0.000 1.257 465 Y CB 0.208 38.683 38.460 0.025 0.000 1.026 465 Y HN 0.281 nan 8.280 nan 0.000 0.555 466 Q N 0.302 120.055 119.800 -0.079 0.000 2.050 466 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 466 Q C -0.571 175.386 176.000 -0.071 0.000 0.980 466 Q CA 1.528 57.241 55.803 -0.150 0.000 0.840 466 Q CB -1.757 26.831 28.738 -0.250 0.000 0.898 466 Q HN 0.415 nan 8.270 nan 0.000 0.424 467 P HA -0.104 nan 4.420 nan 0.000 0.220 467 P C 0.982 178.306 177.300 0.040 0.000 1.148 467 P CA 1.211 64.312 63.100 0.002 0.000 0.803 467 P CB -0.187 31.527 31.700 0.022 0.000 0.782 468 R N -0.177 120.370 120.500 0.079 0.000 2.092 468 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 468 R C 2.653 178.859 176.300 -0.158 0.000 1.119 468 R CA 1.017 57.208 56.100 0.152 0.000 0.970 468 R CB -0.428 30.027 30.300 0.258 0.000 0.864 468 R HN 0.142 nan 8.270 nan 0.000 0.440 469 R N 0.634 120.955 120.500 -0.299 0.000 2.073 469 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 469 R C 2.242 178.481 176.300 -0.101 0.000 1.134 469 R CA 1.599 57.507 56.100 -0.321 0.000 0.952 469 R CB -0.168 30.017 30.300 -0.192 0.000 0.850 469 R HN 0.301 nan 8.270 nan 0.000 0.433 470 E N -0.435 119.717 120.200 -0.079 0.000 2.085 470 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 470 E C 1.512 178.056 176.600 -0.093 0.000 0.994 470 E CA 1.753 58.115 56.400 -0.064 0.000 0.801 470 E CB 0.126 29.795 29.700 -0.052 0.000 0.743 470 E HN 0.249 nan 8.360 nan 0.000 0.453 471 T N 0.446 114.931 114.554 -0.115 0.000 2.737 471 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 471 T C 1.376 175.861 174.700 -0.358 0.000 1.038 471 T CA 1.204 63.145 62.100 -0.265 0.000 1.144 471 T CB -0.493 68.178 68.868 -0.328 0.000 0.866 471 T HN 0.273 nan 8.240 nan 0.000 0.434 472 F N 2.326 122.056 119.950 -0.367 0.000 2.063 472 F HA -0.235 4.292 4.527 0.000 0.000 0.298 472 F C 2.463 178.174 175.800 -0.149 0.000 1.109 472 F CA 1.629 59.507 58.000 -0.202 0.000 1.212 472 F CB -0.190 38.740 39.000 -0.118 0.000 0.973 472 F HN -0.051 nan 8.300 nan 0.000 0.480 473 R N -0.185 120.253 120.500 -0.104 0.000 2.091 473 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 473 R C 2.550 178.738 176.300 -0.187 0.000 1.136 473 R CA 1.557 57.558 56.100 -0.165 0.000 0.959 473 R CB -0.502 29.769 30.300 -0.047 0.000 0.856 473 R HN 0.330 nan 8.270 nan 0.000 0.437 474 R N 0.978 121.363 120.500 -0.192 0.000 2.080 474 R HA -0.128 4.212 4.340 -0.000 0.000 0.236 474 R C 2.306 178.459 176.300 -0.246 0.000 1.137 474 R CA 1.464 57.450 56.100 -0.191 0.000 0.943 474 R CB -0.351 29.832 30.300 -0.194 0.000 0.846 474 R HN 0.213 nan 8.270 nan 0.000 0.431 475 L N -0.582 120.427 121.223 -0.357 0.000 2.017 475 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 475 L C 2.476 179.143 176.870 -0.337 0.000 1.073 475 L CA 1.518 56.102 54.840 -0.427 0.000 0.745 475 L CB -0.725 40.983 42.059 -0.586 0.000 0.894 475 L HN 0.282 nan 8.230 nan 0.000 0.432 476 Y N 0.717 120.696 120.300 -0.536 0.000 2.097 476 Y HA -0.338 4.212 4.550 0.000 0.000 0.282 476 Y C 2.912 178.698 175.900 -0.190 0.000 1.152 476 Y CA 1.686 59.508 58.100 -0.462 0.000 1.136 476 Y CB -0.100 37.870 38.460 -0.818 0.000 0.975 476 Y HN 0.150 nan 8.280 nan 0.000 0.498 477 Q N 0.476 120.275 119.800 -0.002 0.000 2.077 477 Q HA -0.293 4.047 4.340 -0.000 0.000 0.206 477 Q C 2.233 178.164 176.000 -0.114 0.000 0.989 477 Q CA 2.157 57.940 55.803 -0.034 0.000 0.853 477 Q CB -0.633 28.090 28.738 -0.026 0.000 0.907 477 Q HN 0.684 nan 8.270 nan 0.000 0.418 478 Q N -0.366 119.343 119.800 -0.151 0.000 2.096 478 Q HA -0.098 4.242 4.340 -0.000 0.000 0.204 478 Q C 1.945 177.844 176.000 -0.169 0.000 0.982 478 Q CA 0.914 56.622 55.803 -0.158 0.000 0.850 478 Q CB 0.037 28.660 28.738 -0.191 0.000 0.901 478 Q HN 0.362 nan 8.270 nan 0.000 0.422 479 L N 0.210 121.310 121.223 -0.204 0.000 2.567 479 L HA 0.032 4.372 4.340 -0.000 0.000 0.225 479 L C 2.067 178.735 176.870 -0.337 0.000 1.119 479 L CA -0.074 54.627 54.840 -0.232 0.000 0.871 479 L CB -0.174 41.759 42.059 -0.211 0.000 1.036 479 L HN 0.303 nan 8.230 nan 0.000 0.459 480 L N 1.440 122.479 121.223 -0.306 0.000 2.043 480 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 480 L C -0.252 176.449 176.870 -0.282 0.000 1.075 480 L CA 2.022 56.659 54.840 -0.338 0.000 0.752 480 L CB -0.980 40.967 42.059 -0.186 0.000 0.891 480 L HN 0.234 nan 8.230 nan 0.000 0.432 481 P HA -0.128 nan 4.420 nan 0.000 0.221 481 P C 1.586 178.787 177.300 -0.165 0.000 1.150 481 P CA 0.750 63.760 63.100 -0.149 0.000 0.800 481 P CB 0.103 31.737 31.700 -0.110 0.000 0.787 482 L N -1.451 119.651 121.223 -0.201 0.000 2.376 482 L HA -0.003 4.337 4.340 -0.000 0.000 0.219 482 L C 1.861 178.587 176.870 -0.239 0.000 1.133 482 L CA 1.678 56.404 54.840 -0.191 0.000 0.816 482 L CB -1.185 40.766 42.059 -0.180 0.000 0.933 482 L HN 0.054 nan 8.230 nan 0.000 0.449 483 M N -1.281 118.110 119.600 -0.349 0.000 2.428 483 M HA 0.391 4.871 4.480 -0.000 0.000 0.239 483 M C 0.981 177.144 176.300 -0.228 0.000 1.121 483 M CA 0.243 55.323 55.300 -0.367 0.000 1.019 483 M CB -1.063 31.127 32.600 -0.684 0.000 1.485 483 M HN 0.092 nan 8.290 nan 0.000 0.484 484 A N 0.000 122.718 122.820 -0.171 0.000 2.254 484 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 484 A CA 0.000 51.973 52.037 -0.107 0.000 0.836 484 A CB 0.000 18.947 19.000 -0.089 0.000 0.831 484 A HN 0.000 nan 8.150 nan 0.000 0.486