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 2cfy_1_E DATA FIRST_RESID 10 DATA SEQUENCE SYDYDLIIIG GGSGGLAAAK EAAQYGKKVM VLDFVTPTPL GTRWGLGGTC DATA SEQUENCE VNVGCIPKKL MHQAALLGQA LQDSRNYGWK VEETVKHDWD RMIEAVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGQFIGPHR IKATNNKGKE KIYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPIKVEQI DATA SEQUENCE EAGTPGRLRV VAQSTNSEEI IEGEYNTVML AIGRDACTRK IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEDK VELTPVAIQA GRLLAQRLYA DATA SEQUENCE GSTVKCDYEN VPTTVFTPLE YGACGLSEEK AVEKFGEENI EVYHSYFWPL DATA SEQUENCE EWTIPSRDNN KCYAKIICNT KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKKQLDSTI GIHPVCAEVF TTLSVTKRSG ASIL 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.319 174.600 -0.468 0.000 1.055 10 S CA 0.000 57.979 58.200 -0.368 0.000 1.107 10 S CB 0.000 62.946 63.200 -0.423 0.000 0.593 11 Y N 2.900 123.196 120.300 -0.008 0.000 2.457 11 Y HA 0.508 5.057 4.550 -0.000 0.000 0.333 11 Y C 1.142 177.032 175.900 -0.017 0.000 1.119 11 Y CA -0.707 57.406 58.100 0.022 0.000 1.143 11 Y CB 0.575 39.079 38.460 0.074 0.000 1.230 11 Y HN 0.197 nan 8.280 nan 0.000 0.469 12 D N 0.433 120.927 120.400 0.157 0.000 2.104 12 D HA -0.177 4.462 4.640 -0.000 0.000 0.194 12 D C -0.403 175.732 176.300 -0.275 0.000 0.994 12 D CA 2.029 56.000 54.000 -0.049 0.000 0.830 12 D CB -0.032 40.809 40.800 0.069 0.000 0.959 12 D HN 0.429 nan 8.370 nan 0.000 0.452 13 Y N -0.223 120.116 120.300 0.066 0.000 2.570 13 Y HA 0.177 4.727 4.550 -0.000 0.000 0.345 13 Y C 0.992 176.896 175.900 0.005 0.000 1.014 13 Y CA -1.014 57.087 58.100 0.002 0.000 1.063 13 Y CB 1.647 40.070 38.460 -0.062 0.000 1.272 13 Y HN -0.326 nan 8.280 nan 0.000 0.477 14 D N 0.607 121.094 120.400 0.145 0.000 2.123 14 D HA -0.011 4.628 4.640 -0.000 0.000 0.200 14 D C -0.365 175.977 176.300 0.070 0.000 0.976 14 D CA 1.461 55.515 54.000 0.091 0.000 0.831 14 D CB 0.368 41.171 40.800 0.006 0.000 0.974 14 D HN 0.175 nan 8.370 nan 0.000 0.469 15 L N 0.317 121.556 121.223 0.026 0.000 2.464 15 L HA 0.425 4.765 4.340 -0.000 0.000 0.266 15 L C -1.603 175.148 176.870 -0.199 0.000 0.965 15 L CA -0.517 54.287 54.840 -0.060 0.000 0.833 15 L CB 2.117 44.204 42.059 0.047 0.000 1.296 15 L HN -0.210 nan 8.230 nan 0.000 0.405 16 I N 5.986 126.307 120.570 -0.416 0.000 2.389 16 I HA 0.436 4.606 4.170 -0.000 0.000 0.288 16 I C -0.564 175.438 176.117 -0.191 0.000 0.999 16 I CA -0.417 60.635 61.300 -0.412 0.000 1.129 16 I CB 1.573 39.198 38.000 -0.626 0.000 1.288 16 I HN 0.487 nan 8.210 nan 0.000 0.444 17 I N 7.143 127.649 120.570 -0.107 0.000 2.331 17 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 17 I C -0.116 175.995 176.117 -0.010 0.000 0.998 17 I CA -0.475 60.813 61.300 -0.019 0.000 1.267 17 I CB 1.131 39.117 38.000 -0.023 0.000 1.386 17 I HN 0.362 nan 8.210 nan 0.000 0.476 18 I N 6.165 126.752 120.570 0.030 0.000 2.291 18 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 18 I C 0.559 176.679 176.117 0.004 0.000 1.050 18 I CA -0.218 61.078 61.300 -0.007 0.000 1.245 18 I CB 0.594 38.578 38.000 -0.026 0.000 1.405 18 I HN 0.855 nan 8.210 nan 0.000 0.478 19 G N 3.662 112.465 108.800 0.004 0.000 3.367 19 G HA2 0.009 3.969 3.960 -0.000 0.000 0.686 19 G HA3 0.009 3.969 3.960 -0.000 0.000 0.686 19 G C -0.069 174.831 174.900 -0.001 0.000 1.146 19 G CA -0.546 44.566 45.100 0.020 0.000 0.913 19 G HN 0.946 nan 8.290 nan 0.000 0.554 20 G N 0.799 109.593 108.800 -0.010 0.000 4.294 20 G HA2 0.682 4.642 3.960 -0.000 0.000 0.301 20 G HA3 0.682 4.642 3.960 -0.000 0.000 0.301 20 G C 0.828 175.641 174.900 -0.144 0.000 1.321 20 G CA 0.896 45.940 45.100 -0.094 0.000 1.190 20 G HN 1.252 nan 8.290 nan 0.000 0.600 21 G N -0.117 108.630 108.800 -0.090 0.000 2.531 21 G HA2 0.376 4.336 3.960 -0.000 0.000 0.281 21 G HA3 0.376 4.336 3.960 -0.000 0.000 0.281 21 G C 1.194 176.010 174.900 -0.140 0.000 1.382 21 G CA 0.242 45.285 45.100 -0.095 0.000 1.045 21 G HN 0.163 nan 8.290 nan 0.000 0.533 22 S N -0.315 115.329 115.700 -0.093 0.000 2.368 22 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 22 S C 2.505 177.077 174.600 -0.047 0.000 1.044 22 S CA 1.953 60.111 58.200 -0.070 0.000 1.062 22 S CB -0.763 62.429 63.200 -0.012 0.000 0.931 22 S HN 0.807 nan 8.310 nan 0.000 0.440 23 G N 0.915 109.705 108.800 -0.016 0.000 2.404 23 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.215 23 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.215 23 G C 1.476 176.370 174.900 -0.009 0.000 1.174 23 G CA 0.948 46.050 45.100 0.003 0.000 0.780 23 G HN 0.576 nan 8.290 nan 0.000 0.537 24 G N 0.905 109.691 108.800 -0.023 0.000 2.446 24 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 24 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 24 G C 1.809 176.676 174.900 -0.055 0.000 1.168 24 G CA 0.832 45.914 45.100 -0.029 0.000 0.771 24 G HN 0.413 nan 8.290 nan 0.000 0.551 25 L N 0.523 121.682 121.223 -0.107 0.000 2.156 25 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 25 L C 3.384 180.224 176.870 -0.051 0.000 1.095 25 L CA 0.776 55.541 54.840 -0.125 0.000 0.770 25 L CB -0.407 41.483 42.059 -0.283 0.000 0.914 25 L HN 0.316 nan 8.230 nan 0.000 0.439 26 A N 0.352 123.154 122.820 -0.031 0.000 1.902 26 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 26 A C 2.562 180.151 177.584 0.009 0.000 1.181 26 A CA 1.703 53.741 52.037 0.001 0.000 0.623 26 A CB -0.618 18.386 19.000 0.006 0.000 0.818 26 A HN 0.379 nan 8.150 nan 0.000 0.443 27 A N -0.111 122.714 122.820 0.008 0.000 1.902 27 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 27 A C 2.522 180.122 177.584 0.027 0.000 1.181 27 A CA 2.161 54.214 52.037 0.027 0.000 0.623 27 A CB -1.065 17.949 19.000 0.024 0.000 0.818 27 A HN 1.034 nan 8.150 nan 0.000 0.443 28 A N -0.353 122.467 122.820 -0.001 0.000 1.858 28 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 28 A C 2.268 179.842 177.584 -0.017 0.000 1.190 28 A CA 2.276 54.304 52.037 -0.015 0.000 0.617 28 A CB -0.684 18.293 19.000 -0.038 0.000 0.827 28 A HN 0.369 nan 8.150 nan 0.000 0.443 29 K N -0.686 119.704 120.400 -0.018 0.000 2.063 29 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 29 K C 2.131 178.701 176.600 -0.050 0.000 1.048 29 K CA 1.744 58.013 56.287 -0.029 0.000 0.928 29 K CB -0.550 31.943 32.500 -0.012 0.000 0.713 29 K HN 0.746 nan 8.250 nan 0.000 0.442 30 E N 0.290 120.479 120.200 -0.018 0.000 2.072 30 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 30 E C 1.956 178.566 176.600 0.018 0.000 0.982 30 E CA 1.268 57.661 56.400 -0.012 0.000 0.803 30 E CB -0.393 29.355 29.700 0.080 0.000 0.755 30 E HN 0.352 nan 8.360 nan 0.000 0.453 31 A N 0.839 123.711 122.820 0.087 0.000 1.902 31 A HA -0.080 4.239 4.320 -0.000 0.000 0.217 31 A C 2.434 179.991 177.584 -0.046 0.000 1.181 31 A CA 2.013 54.116 52.037 0.110 0.000 0.623 31 A CB -1.047 17.993 19.000 0.067 0.000 0.818 31 A HN 0.373 nan 8.150 nan 0.000 0.443 32 A N -1.305 121.467 122.820 -0.081 0.000 1.972 32 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 32 A C 2.116 179.606 177.584 -0.156 0.000 1.169 32 A CA 1.845 53.822 52.037 -0.101 0.000 0.635 32 A CB -0.714 18.243 19.000 -0.072 0.000 0.810 32 A HN 0.469 nan 8.150 nan 0.000 0.446 33 Q N -1.867 117.771 119.800 -0.270 0.000 2.368 33 Q HA -0.143 4.197 4.340 -0.000 0.000 0.210 33 Q C 0.668 176.347 176.000 -0.535 0.000 0.982 33 Q CA 1.451 56.992 55.803 -0.435 0.000 0.884 33 Q CB -0.702 27.682 28.738 -0.591 0.000 0.933 33 Q HN 0.996 nan 8.270 nan 0.000 0.460 34 Y N -1.224 119.052 120.300 -0.040 0.000 2.708 34 Y HA 0.461 5.011 4.550 -0.000 0.000 0.287 34 Y C 1.601 177.455 175.900 -0.078 0.000 1.145 34 Y CA -0.099 57.978 58.100 -0.038 0.000 1.249 34 Y CB 0.407 38.866 38.460 -0.001 0.000 1.152 34 Y HN 0.275 nan 8.280 nan 0.000 0.532 35 G N 0.393 109.185 108.800 -0.013 0.000 2.153 35 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 35 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 35 G C 0.119 174.982 174.900 -0.063 0.000 0.994 35 G CA -0.195 44.888 45.100 -0.029 0.000 0.698 35 G HN 0.134 nan 8.290 nan 0.000 0.521 36 K N 0.348 120.671 120.400 -0.129 0.000 2.143 36 K HA 0.426 4.746 4.320 -0.000 0.000 0.272 36 K C 0.166 176.701 176.600 -0.109 0.000 1.001 36 K CA -0.557 55.608 56.287 -0.205 0.000 0.915 36 K CB 1.310 33.483 32.500 -0.546 0.000 1.047 36 K HN 0.062 nan 8.250 nan 0.000 0.458 37 K N 1.622 121.993 120.400 -0.048 0.000 2.310 37 K HA 0.261 4.580 4.320 -0.000 0.000 0.290 37 K C -0.170 176.537 176.600 0.177 0.000 1.077 37 K CA -0.468 55.857 56.287 0.062 0.000 0.922 37 K CB 0.526 33.039 32.500 0.022 0.000 1.057 37 K HN 0.356 nan 8.250 nan 0.000 0.479 38 V N 3.900 123.904 119.914 0.151 0.000 2.735 38 V HA 0.571 4.691 4.120 -0.000 0.000 0.310 38 V C -0.330 175.689 176.094 -0.125 0.000 1.061 38 V CA -0.977 61.334 62.300 0.020 0.000 0.913 38 V CB 1.943 33.744 31.823 -0.037 0.000 1.005 38 V HN 0.888 nan 8.190 nan 0.000 0.428 39 M N 4.698 124.056 119.600 -0.403 0.000 2.395 39 M HA 0.742 5.222 4.480 -0.000 0.000 0.307 39 M C -1.791 174.354 176.300 -0.258 0.000 1.091 39 M CA -0.451 54.551 55.300 -0.497 0.000 0.919 39 M CB 1.968 33.928 32.600 -1.068 0.000 1.662 39 M HN 0.422 nan 8.290 nan 0.000 0.440 40 V N 5.001 124.845 119.914 -0.118 0.000 2.398 40 V HA 0.719 4.839 4.120 -0.000 0.000 0.286 40 V C 0.087 176.206 176.094 0.040 0.000 1.026 40 V CA -0.847 61.434 62.300 -0.032 0.000 0.868 40 V CB 0.976 32.800 31.823 0.001 0.000 0.982 40 V HN 0.815 nan 8.190 nan 0.000 0.443 41 L N 2.737 123.967 121.223 0.012 0.000 2.265 41 L HA 0.913 5.253 4.340 -0.000 0.000 0.289 41 L C -0.489 176.445 176.870 0.107 0.000 1.033 41 L CA -0.333 54.533 54.840 0.044 0.000 0.814 41 L CB 0.838 42.877 42.059 -0.033 0.000 1.203 41 L HN 0.883 nan 8.230 nan 0.000 0.423 42 D N 1.946 122.486 120.400 0.233 0.000 2.646 42 D HA 0.774 5.414 4.640 -0.000 0.000 0.245 42 D C -1.475 175.029 176.300 0.339 0.000 1.099 42 D CA -0.104 54.039 54.000 0.238 0.000 0.849 42 D CB 1.941 42.859 40.800 0.198 0.000 1.448 42 D HN 0.529 nan 8.370 nan 0.000 0.489 43 F N 3.702 123.720 119.950 0.113 0.000 2.605 43 F HA 0.404 4.930 4.527 -0.000 0.000 0.320 43 F C -1.717 174.131 175.800 0.080 0.000 1.159 43 F CA -0.723 57.346 58.000 0.114 0.000 0.999 43 F CB 1.530 40.639 39.000 0.182 0.000 1.258 43 F HN 0.147 nan 8.300 nan 0.000 0.464 44 V N 5.153 124.691 119.914 -0.627 0.000 2.304 44 V HA 0.210 4.330 4.120 -0.000 0.000 0.262 44 V C 0.466 176.080 176.094 -0.801 0.000 1.061 44 V CA -0.405 61.527 62.300 -0.614 0.000 0.872 44 V CB 0.858 32.159 31.823 -0.869 0.000 1.077 44 V HN 0.844 nan 8.190 nan 0.000 0.480 45 T N 8.010 122.354 114.554 -0.351 0.000 2.902 45 T HA 0.222 4.572 4.350 -0.000 0.000 0.301 45 T C -2.031 172.515 174.700 -0.257 0.000 1.012 45 T CA -0.718 61.277 62.100 -0.175 0.000 1.151 45 T CB 0.720 69.631 68.868 0.071 0.000 0.946 45 T HN 0.452 nan 8.240 nan 0.000 0.542 46 P HA 0.232 nan 4.420 nan 0.000 0.272 46 P C -0.168 177.077 177.300 -0.092 0.000 1.240 46 P CA -0.430 62.544 63.100 -0.210 0.000 0.791 46 P CB 0.223 31.845 31.700 -0.130 0.000 0.978 47 T N 3.054 117.581 114.554 -0.045 0.000 2.900 47 T HA 0.055 4.405 4.350 -0.000 0.000 0.307 47 T C -1.322 173.412 174.700 0.056 0.000 1.065 47 T CA -0.500 61.645 62.100 0.075 0.000 1.105 47 T CB -0.376 68.580 68.868 0.146 0.000 0.979 47 T HN 0.346 nan 8.240 nan 0.000 0.544 48 P HA -0.093 nan 4.420 nan 0.000 0.218 48 P C 1.220 178.523 177.300 0.004 0.000 1.152 48 P CA 1.160 64.260 63.100 -0.001 0.000 0.857 48 P CB 0.031 31.686 31.700 -0.073 0.000 0.787 49 L N -3.122 118.131 121.223 0.050 0.000 2.599 49 L HA 0.166 4.505 4.340 -0.000 0.000 0.230 49 L C 1.505 178.409 176.870 0.056 0.000 1.141 49 L CA 0.773 55.646 54.840 0.055 0.000 0.877 49 L CB -0.791 41.327 42.059 0.098 0.000 1.009 49 L HN 0.184 nan 8.230 nan 0.000 0.447 50 G N -0.363 108.460 108.800 0.039 0.000 2.176 50 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.232 50 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.232 50 G C 0.304 175.215 174.900 0.017 0.000 0.986 50 G CA 0.104 45.215 45.100 0.019 0.000 0.643 50 G HN 0.277 nan 8.290 nan 0.000 0.522 51 T N 1.667 116.252 114.554 0.052 0.000 2.853 51 T HA 0.559 4.909 4.350 -0.000 0.000 0.298 51 T C 0.431 175.088 174.700 -0.072 0.000 0.978 51 T CA 0.184 62.336 62.100 0.088 0.000 1.152 51 T CB 1.479 70.483 68.868 0.227 0.000 0.914 51 T HN 0.573 nan 8.240 nan 0.000 0.539 52 R N 0.980 121.432 120.500 -0.081 0.000 2.912 52 R HA 0.845 5.185 4.340 -0.000 0.000 0.262 52 R C -1.244 175.023 176.300 -0.054 0.000 1.057 52 R CA -1.292 54.601 56.100 -0.345 0.000 0.981 52 R CB 1.412 31.557 30.300 -0.259 0.000 1.201 52 R HN 0.984 nan 8.270 nan 0.000 0.484 53 W N -2.264 119.029 121.300 -0.011 0.000 2.923 53 W HA 0.816 5.476 4.660 -0.000 0.000 0.373 53 W C 0.059 176.582 176.519 0.008 0.000 1.205 53 W CA -0.927 56.427 57.345 0.015 0.000 1.180 53 W CB 0.261 29.741 29.460 0.033 0.000 1.477 53 W HN 1.005 nan 8.180 nan 0.000 0.581 54 G N 0.351 109.368 108.800 0.361 0.000 2.509 54 G HA2 0.467 4.426 3.960 -0.000 0.000 0.269 54 G HA3 0.467 4.426 3.960 -0.000 0.000 0.269 54 G C -1.064 173.968 174.900 0.219 0.000 1.416 54 G CA -0.992 44.244 45.100 0.227 0.000 1.052 54 G HN 0.754 nan 8.290 nan 0.000 0.542 55 L N -0.371 120.905 121.223 0.088 0.000 2.467 55 L HA 0.448 4.788 4.340 -0.000 0.000 0.270 55 L C 1.454 178.306 176.870 -0.031 0.000 1.205 55 L CA 2.175 56.982 54.840 -0.055 0.000 0.828 55 L CB 1.134 43.025 42.059 -0.280 0.000 1.101 55 L HN 1.208 nan 8.230 nan 0.000 0.479 56 G N 0.935 109.616 108.800 -0.198 0.000 2.336 56 G HA2 0.218 4.178 3.960 -0.000 0.000 0.194 56 G HA3 0.218 4.178 3.960 -0.000 0.000 0.194 56 G C 0.783 175.575 174.900 -0.179 0.000 0.999 56 G CA 0.035 44.931 45.100 -0.340 0.000 0.669 56 G HN 1.819 nan 8.290 nan 0.000 0.482 57 G N -1.005 107.783 108.800 -0.020 0.000 2.632 57 G HA2 0.056 4.016 3.960 -0.000 0.000 0.224 57 G HA3 0.056 4.016 3.960 -0.000 0.000 0.224 57 G C 0.872 175.783 174.900 0.019 0.000 1.341 57 G CA 0.872 46.003 45.100 0.051 0.000 0.880 57 G HN 1.230 nan 8.290 nan 0.000 0.566 58 T N -0.308 114.262 114.554 0.028 0.000 2.737 58 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 58 T C 2.534 177.172 174.700 -0.103 0.000 1.038 58 T CA 2.757 64.838 62.100 -0.032 0.000 1.144 58 T CB -0.787 68.111 68.868 0.049 0.000 0.866 58 T HN 1.314 nan 8.240 nan 0.000 0.434 59 C N 1.604 120.875 119.300 -0.048 0.000 2.388 59 C HA -0.104 4.355 4.460 -0.000 0.000 0.277 59 C C 2.728 177.655 174.990 -0.106 0.000 1.210 59 C CA 0.907 59.895 59.018 -0.051 0.000 1.743 59 C CB -1.291 26.445 27.740 -0.006 0.000 2.047 59 C HN 0.377 nan 8.230 nan 0.000 0.458 60 V N 1.877 121.744 119.914 -0.078 0.000 2.358 60 V HA -0.160 3.959 4.120 -0.000 0.000 0.246 60 V C 2.409 178.403 176.094 -0.166 0.000 1.047 60 V CA 2.476 64.739 62.300 -0.063 0.000 1.035 60 V CB -0.733 31.127 31.823 0.061 0.000 0.658 60 V HN 0.613 nan 8.190 nan 0.000 0.452 61 N N -0.876 117.657 118.700 -0.277 0.000 2.402 61 N HA 0.049 4.789 4.740 -0.000 0.000 0.174 61 N C 0.956 176.127 175.510 -0.565 0.000 1.027 61 N CA 0.945 53.723 53.050 -0.453 0.000 0.891 61 N CB 1.323 39.317 38.487 -0.822 0.000 1.016 61 N HN 0.350 nan 8.380 nan 0.000 0.439 62 V N -0.206 119.373 119.914 -0.558 0.000 3.399 62 V HA 0.334 4.454 4.120 -0.000 0.000 0.357 62 V C 0.410 176.393 176.094 -0.185 0.000 1.480 62 V CA 0.017 62.084 62.300 -0.388 0.000 1.263 62 V CB 0.979 32.344 31.823 -0.763 0.000 1.103 62 V HN 0.289 nan 8.190 nan 0.000 0.533 63 G N -1.016 107.582 108.800 -0.336 0.000 3.418 63 G HA2 0.179 4.138 3.960 -0.000 0.000 0.179 63 G HA3 0.179 4.138 3.960 -0.000 0.000 0.179 63 G C 1.171 175.938 174.900 -0.220 0.000 1.212 63 G CA 0.789 45.798 45.100 -0.152 0.000 0.935 63 G HN 0.116 nan 8.290 nan 0.000 0.716 64 C N 0.955 120.209 119.300 -0.077 0.000 2.376 64 C HA -0.067 4.393 4.460 -0.000 0.000 0.275 64 C C 2.758 177.650 174.990 -0.162 0.000 1.200 64 C CA 0.576 59.564 59.018 -0.051 0.000 1.756 64 C CB -1.250 26.493 27.740 0.004 0.000 2.050 64 C HN 0.408 nan 8.230 nan 0.000 0.460 65 I N 2.218 122.678 120.570 -0.185 0.000 2.090 65 I HA -0.095 4.075 4.170 -0.000 0.000 0.236 65 I C 0.161 176.113 176.117 -0.276 0.000 1.064 65 I CA 1.834 63.026 61.300 -0.180 0.000 1.324 65 I CB -2.703 35.234 38.000 -0.105 0.000 1.044 65 I HN 0.224 nan 8.210 nan 0.000 0.399 66 P HA -0.196 nan 4.420 nan 0.000 0.217 66 P C 1.602 178.553 177.300 -0.581 0.000 1.150 66 P CA 1.561 64.342 63.100 -0.533 0.000 0.832 66 P CB -0.206 31.023 31.700 -0.785 0.000 0.787 67 K N 1.492 121.506 120.400 -0.643 0.000 2.026 67 K HA -0.188 4.131 4.320 -0.000 0.000 0.208 67 K C 2.145 178.632 176.600 -0.187 0.000 1.048 67 K CA 1.850 57.990 56.287 -0.245 0.000 0.929 67 K CB -0.519 32.001 32.500 0.035 0.000 0.713 67 K HN -0.055 nan 8.250 nan 0.000 0.439 68 K N 0.821 121.085 120.400 -0.226 0.000 2.097 68 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 68 K C 2.357 178.832 176.600 -0.208 0.000 1.050 68 K CA 0.936 57.069 56.287 -0.255 0.000 0.938 68 K CB -0.123 32.146 32.500 -0.384 0.000 0.718 68 K HN 0.174 nan 8.250 nan 0.000 0.442 69 L N 0.163 121.236 121.223 -0.250 0.000 2.046 69 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 69 L C 2.517 179.229 176.870 -0.263 0.000 1.077 69 L CA 1.364 56.059 54.840 -0.241 0.000 0.747 69 L CB -0.316 41.601 42.059 -0.237 0.000 0.896 69 L HN 0.313 nan 8.230 nan 0.000 0.432 70 M N -1.569 117.800 119.600 -0.385 0.000 2.254 70 M HA -0.188 4.292 4.480 -0.000 0.000 0.265 70 M C 2.327 178.396 176.300 -0.384 0.000 1.066 70 M CA 1.272 56.245 55.300 -0.545 0.000 1.123 70 M CB -0.633 31.279 32.600 -1.147 0.000 1.388 70 M HN 0.270 nan 8.290 nan 0.000 0.425 71 H N 0.628 119.496 119.070 -0.336 0.000 2.352 71 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 71 H C 2.013 177.319 175.328 -0.036 0.000 1.097 71 H CA 2.205 58.241 56.048 -0.021 0.000 1.311 71 H CB -0.095 29.691 29.762 0.040 0.000 1.377 71 H HN 0.255 nan 8.280 nan 0.000 0.504 72 Q N 0.306 119.976 119.800 -0.216 0.000 2.124 72 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 72 Q C 2.416 178.313 176.000 -0.172 0.000 0.977 72 Q CA 1.753 57.414 55.803 -0.236 0.000 0.850 72 Q CB -0.711 27.917 28.738 -0.182 0.000 0.901 72 Q HN 0.562 nan 8.270 nan 0.000 0.429 73 A N 0.363 123.097 122.820 -0.144 0.000 1.883 73 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 73 A C 2.299 179.831 177.584 -0.087 0.000 1.186 73 A CA 2.152 54.132 52.037 -0.094 0.000 0.624 73 A CB -1.296 17.650 19.000 -0.090 0.000 0.822 73 A HN 0.529 nan 8.150 nan 0.000 0.444 74 A N -0.337 122.442 122.820 -0.067 0.000 1.877 74 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 74 A C 2.194 179.747 177.584 -0.052 0.000 1.186 74 A CA 1.530 53.559 52.037 -0.013 0.000 0.620 74 A CB -0.680 18.392 19.000 0.122 0.000 0.822 74 A HN 0.477 nan 8.150 nan 0.000 0.443 75 L N -0.748 120.391 121.223 -0.141 0.000 2.079 75 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 75 L C 2.549 179.375 176.870 -0.073 0.000 1.081 75 L CA 1.193 55.955 54.840 -0.129 0.000 0.752 75 L CB -0.518 41.409 42.059 -0.219 0.000 0.896 75 L HN 0.393 nan 8.230 nan 0.000 0.433 76 L N -0.785 120.391 121.223 -0.078 0.000 2.141 76 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 76 L C 2.645 179.497 176.870 -0.030 0.000 1.094 76 L CA 1.010 55.817 54.840 -0.056 0.000 0.763 76 L CB -0.972 41.051 42.059 -0.060 0.000 0.908 76 L HN 0.291 nan 8.230 nan 0.000 0.437 77 G N -0.541 108.248 108.800 -0.019 0.000 2.446 77 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.217 77 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.217 77 G C 1.518 176.421 174.900 0.003 0.000 1.168 77 G CA 0.864 45.965 45.100 0.002 0.000 0.771 77 G HN 0.287 nan 8.290 nan 0.000 0.551 78 Q N 0.573 120.369 119.800 -0.006 0.000 2.119 78 Q HA 0.177 4.517 4.340 -0.000 0.000 0.201 78 Q C 2.686 178.686 176.000 0.001 0.000 0.972 78 Q CA 1.747 57.545 55.803 -0.008 0.000 0.847 78 Q CB -0.594 28.127 28.738 -0.030 0.000 0.903 78 Q HN 0.379 nan 8.270 nan 0.000 0.433 79 A N 0.309 123.125 122.820 -0.006 0.000 1.908 79 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 79 A C 2.047 179.630 177.584 -0.001 0.000 1.181 79 A CA 1.488 53.522 52.037 -0.006 0.000 0.627 79 A CB -0.833 18.143 19.000 -0.040 0.000 0.818 79 A HN 0.463 nan 8.150 nan 0.000 0.445 80 L N -1.063 120.155 121.223 -0.008 0.000 2.042 80 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 80 L C 2.894 179.789 176.870 0.042 0.000 1.076 80 L CA 1.817 56.659 54.840 0.003 0.000 0.749 80 L CB -0.823 41.239 42.059 0.005 0.000 0.893 80 L HN 0.527 nan 8.230 nan 0.000 0.432 81 Q N -0.042 119.784 119.800 0.044 0.000 2.046 81 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 81 Q C 1.887 177.941 176.000 0.090 0.000 0.975 81 Q CA 1.657 57.494 55.803 0.057 0.000 0.836 81 Q CB -0.070 28.691 28.738 0.038 0.000 0.896 81 Q HN 0.447 nan 8.270 nan 0.000 0.428 82 D N 0.145 120.607 120.400 0.102 0.000 2.149 82 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 82 D C 2.064 178.549 176.300 0.308 0.000 0.990 82 D CA 1.611 55.725 54.000 0.189 0.000 0.839 82 D CB -0.368 40.555 40.800 0.205 0.000 0.948 82 D HN 0.243 nan 8.370 nan 0.000 0.460 83 S N 0.282 116.126 115.700 0.240 0.000 2.400 83 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 83 S C 1.942 176.778 174.600 0.393 0.000 1.025 83 S CA 0.697 59.094 58.200 0.328 0.000 0.993 83 S CB -0.252 63.024 63.200 0.126 0.000 0.808 83 S HN 0.165 nan 8.310 nan 0.000 0.478 84 R N 1.714 122.362 120.500 0.247 0.000 2.096 84 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 84 R C 2.063 178.452 176.300 0.147 0.000 1.139 84 R CA 2.097 58.309 56.100 0.186 0.000 0.952 84 R CB -0.606 29.764 30.300 0.117 0.000 0.854 84 R HN 0.625 nan 8.270 nan 0.000 0.436 85 N N -0.874 117.890 118.700 0.107 0.000 2.331 85 N HA -0.138 4.602 4.740 -0.000 0.000 0.180 85 N C 0.906 176.371 175.510 -0.075 0.000 1.019 85 N CA 0.829 53.870 53.050 -0.016 0.000 0.881 85 N CB -0.051 38.377 38.487 -0.098 0.000 0.972 85 N HN 0.240 nan 8.380 nan 0.000 0.435 86 Y N -0.314 120.052 120.300 0.110 0.000 2.583 86 Y HA 0.180 4.729 4.550 -0.000 0.000 0.293 86 Y C 1.734 177.638 175.900 0.007 0.000 1.157 86 Y CA 0.522 58.683 58.100 0.101 0.000 1.315 86 Y CB 0.162 38.743 38.460 0.202 0.000 1.021 86 Y HN 0.153 nan 8.280 nan 0.000 0.536 87 G N -2.230 106.637 108.800 0.113 0.000 2.192 87 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.193 87 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.193 87 G C -0.338 174.490 174.900 -0.119 0.000 0.999 87 G CA -0.695 44.371 45.100 -0.057 0.000 0.659 87 G HN 0.223 nan 8.290 nan 0.000 0.503 88 W N 1.495 122.842 121.300 0.079 0.000 2.287 88 W HA 0.537 5.197 4.660 -0.000 0.000 0.313 88 W C 0.598 177.144 176.519 0.044 0.000 1.267 88 W CA -0.568 56.810 57.345 0.056 0.000 1.201 88 W CB 1.022 30.516 29.460 0.056 0.000 1.196 88 W HN -0.040 nan 8.180 nan 0.000 0.536 89 K N 3.150 123.702 120.400 0.254 0.000 2.142 89 K HA 0.322 4.642 4.320 -0.000 0.000 0.250 89 K C -0.435 176.255 176.600 0.150 0.000 1.148 89 K CA -0.521 55.857 56.287 0.152 0.000 1.040 89 K CB -0.411 32.147 32.500 0.096 0.000 1.569 89 K HN 0.334 nan 8.250 nan 0.000 0.361 90 V N 1.237 121.235 119.914 0.141 0.000 2.483 90 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 90 V C 0.829 176.967 176.094 0.073 0.000 1.035 90 V CA -1.069 61.293 62.300 0.103 0.000 0.896 90 V CB 1.356 33.239 31.823 0.100 0.000 0.986 90 V HN 0.812 nan 8.190 nan 0.000 0.447 91 E N 1.397 121.631 120.200 0.057 0.000 2.502 91 E HA 0.040 4.390 4.350 -0.000 0.000 0.261 91 E C 1.273 177.900 176.600 0.044 0.000 0.974 91 E CA 0.727 57.154 56.400 0.045 0.000 0.936 91 E CB 0.311 30.034 29.700 0.038 0.000 0.926 91 E HN 0.805 nan 8.360 nan 0.000 0.459 92 E N 1.202 121.426 120.200 0.040 0.000 2.097 92 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 92 E C 0.624 177.245 176.600 0.037 0.000 1.000 92 E CA 1.847 58.270 56.400 0.038 0.000 0.804 92 E CB -0.109 29.610 29.700 0.031 0.000 0.740 92 E HN 0.810 nan 8.360 nan 0.000 0.454 93 T N 0.506 115.081 114.554 0.035 0.000 2.809 93 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 93 T C -0.629 174.095 174.700 0.040 0.000 0.992 93 T CA -0.602 61.520 62.100 0.037 0.000 0.957 93 T CB 1.727 70.615 68.868 0.034 0.000 0.942 93 T HN 0.124 nan 8.240 nan 0.000 0.439 94 V N 2.068 122.009 119.914 0.046 0.000 2.394 94 V HA 0.502 4.621 4.120 -0.000 0.000 0.282 94 V C 0.426 176.560 176.094 0.067 0.000 1.031 94 V CA -1.117 61.213 62.300 0.049 0.000 0.881 94 V CB 0.962 32.812 31.823 0.045 0.000 0.982 94 V HN 0.702 nan 8.190 nan 0.000 0.451 95 K N 2.269 122.708 120.400 0.066 0.000 2.126 95 K HA 0.391 4.711 4.320 -0.000 0.000 0.257 95 K C -0.300 176.375 176.600 0.124 0.000 1.007 95 K CA -0.665 55.676 56.287 0.091 0.000 0.928 95 K CB 1.264 33.804 32.500 0.067 0.000 1.013 95 K HN 0.900 nan 8.250 nan 0.000 0.473 96 H N 0.709 119.816 119.070 0.062 0.000 2.524 96 H HA 0.332 4.888 4.556 -0.000 0.000 0.353 96 H C -1.491 173.898 175.328 0.102 0.000 1.136 96 H CA -0.548 55.544 56.048 0.075 0.000 1.193 96 H CB 1.912 31.730 29.762 0.094 0.000 1.558 96 H HN 0.608 nan 8.280 nan 0.000 0.515 97 D N 4.649 124.714 120.400 -0.558 0.000 2.414 97 D HA -0.004 4.636 4.640 -0.000 0.000 0.232 97 D C 0.975 177.148 176.300 -0.211 0.000 1.070 97 D CA -0.562 53.299 54.000 -0.231 0.000 0.839 97 D CB 0.331 41.035 40.800 -0.159 0.000 1.079 97 D HN 0.602 nan 8.370 nan 0.000 0.521 98 W N 3.900 125.188 121.300 -0.020 0.000 2.333 98 W HA -0.208 4.452 4.660 -0.000 0.000 0.316 98 W C 0.379 176.921 176.519 0.038 0.000 1.215 98 W CA 1.430 58.837 57.345 0.104 0.000 1.278 98 W CB 0.094 29.630 29.460 0.128 0.000 1.154 98 W HN 0.417 nan 8.180 nan 0.000 0.486 99 D N -0.178 120.308 120.400 0.144 0.000 2.123 99 D HA -0.221 4.418 4.640 -0.000 0.000 0.196 99 D C 2.333 178.578 176.300 -0.091 0.000 0.992 99 D CA 1.430 55.450 54.000 0.034 0.000 0.833 99 D CB -0.659 40.213 40.800 0.120 0.000 0.954 99 D HN -0.014 nan 8.370 nan 0.000 0.455 100 R N 0.324 120.766 120.500 -0.097 0.000 2.092 100 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 100 R C 2.077 178.281 176.300 -0.160 0.000 1.119 100 R CA 0.747 56.778 56.100 -0.116 0.000 0.970 100 R CB -0.501 29.729 30.300 -0.117 0.000 0.864 100 R HN 0.299 nan 8.270 nan 0.000 0.440 101 M N 0.121 119.590 119.600 -0.219 0.000 2.086 101 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 101 M C 1.836 177.968 176.300 -0.280 0.000 1.067 101 M CA 1.477 56.647 55.300 -0.218 0.000 1.116 101 M CB -0.026 32.477 32.600 -0.161 0.000 1.348 101 M HN 0.026 nan 8.290 nan 0.000 0.407 102 I N 0.105 120.433 120.570 -0.404 0.000 2.226 102 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 102 I C 2.466 178.486 176.117 -0.163 0.000 1.100 102 I CA 1.390 62.488 61.300 -0.337 0.000 1.374 102 I CB -1.726 36.049 38.000 -0.374 0.000 1.057 102 I HN 0.353 nan 8.210 nan 0.000 0.413 103 E N 0.736 120.860 120.200 -0.125 0.000 2.058 103 E HA -0.223 4.126 4.350 -0.000 0.000 0.194 103 E C 2.388 178.950 176.600 -0.064 0.000 0.997 103 E CA 1.403 57.763 56.400 -0.067 0.000 0.801 103 E CB -0.372 29.298 29.700 -0.051 0.000 0.746 103 E HN 0.632 nan 8.360 nan 0.000 0.450 104 A N -0.163 122.606 122.820 -0.086 0.000 1.898 104 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 104 A C 2.555 180.103 177.584 -0.060 0.000 1.181 104 A CA 1.678 53.671 52.037 -0.073 0.000 0.620 104 A CB -0.713 18.231 19.000 -0.092 0.000 0.819 104 A HN 0.383 nan 8.150 nan 0.000 0.442 105 V N -0.005 119.854 119.914 -0.091 0.000 2.261 105 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 105 V C 2.725 178.803 176.094 -0.028 0.000 1.047 105 V CA 2.017 64.270 62.300 -0.078 0.000 1.015 105 V CB -0.720 31.023 31.823 -0.134 0.000 0.642 105 V HN 0.532 nan 8.190 nan 0.000 0.446 106 Q N -0.160 119.620 119.800 -0.033 0.000 2.170 106 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 106 Q C 2.186 178.192 176.000 0.011 0.000 0.976 106 Q CA 1.358 57.160 55.803 -0.001 0.000 0.858 106 Q CB -0.781 27.964 28.738 0.011 0.000 0.907 106 Q HN 0.638 nan 8.270 nan 0.000 0.433 107 N N 0.635 119.339 118.700 0.007 0.000 2.069 107 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 107 N C 1.688 177.219 175.510 0.034 0.000 1.031 107 N CA 1.414 54.472 53.050 0.013 0.000 0.852 107 N CB -0.354 38.136 38.487 0.005 0.000 1.018 107 N HN 0.423 nan 8.380 nan 0.000 0.423 108 H N 0.157 119.195 119.070 -0.053 0.000 2.357 108 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 108 H C 2.195 177.498 175.328 -0.041 0.000 1.082 108 H CA 1.286 57.300 56.048 -0.056 0.000 1.342 108 H CB 0.026 29.741 29.762 -0.079 0.000 1.389 108 H HN 0.224 nan 8.280 nan 0.000 0.511 109 I N 0.264 120.805 120.570 -0.048 0.000 2.163 109 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 109 I C 2.906 178.995 176.117 -0.046 0.000 1.085 109 I CA 1.207 62.462 61.300 -0.074 0.000 1.347 109 I CB -0.637 37.342 38.000 -0.035 0.000 1.044 109 I HN 0.315 nan 8.210 nan 0.000 0.408 110 G N 0.609 109.406 108.800 -0.004 0.000 2.469 110 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.219 110 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.219 110 G C 1.781 176.711 174.900 0.050 0.000 1.150 110 G CA 1.272 46.399 45.100 0.045 0.000 0.763 110 G HN 0.531 nan 8.290 nan 0.000 0.561 111 S N 0.203 115.875 115.700 -0.046 0.000 2.406 111 S HA 0.101 4.571 4.470 -0.000 0.000 0.228 111 S C 2.320 176.868 174.600 -0.086 0.000 1.020 111 S CA 0.871 59.040 58.200 -0.051 0.000 0.965 111 S CB -0.260 62.868 63.200 -0.121 0.000 0.798 111 S HN 0.307 nan 8.310 nan 0.000 0.488 112 L N 1.356 122.460 121.223 -0.198 0.000 2.072 112 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 112 L C 2.575 179.413 176.870 -0.054 0.000 1.079 112 L CA 0.950 55.656 54.840 -0.224 0.000 0.752 112 L CB -0.831 41.084 42.059 -0.240 0.000 0.906 112 L HN 0.267 nan 8.230 nan 0.000 0.436 113 N N -0.179 118.566 118.700 0.074 0.000 2.036 113 N HA -0.278 4.462 4.740 -0.000 0.000 0.195 113 N C 1.539 177.114 175.510 0.108 0.000 1.037 113 N CA 1.558 54.697 53.050 0.149 0.000 0.855 113 N CB -0.465 38.123 38.487 0.169 0.000 1.033 113 N HN 0.458 nan 8.380 nan 0.000 0.423 114 W N 1.893 123.182 121.300 -0.018 0.000 2.381 114 W HA -0.064 4.596 4.660 -0.000 0.000 0.301 114 W C 2.188 178.674 176.519 -0.054 0.000 1.205 114 W CA 1.579 58.911 57.345 -0.021 0.000 1.285 114 W CB -0.685 28.757 29.460 -0.030 0.000 1.133 114 W HN 0.100 nan 8.180 nan 0.000 0.521 115 G N -0.222 108.582 108.800 0.007 0.000 2.505 115 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.220 115 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.220 115 G C 1.168 175.923 174.900 -0.241 0.000 1.145 115 G CA 1.356 46.367 45.100 -0.149 0.000 0.761 115 G HN 0.284 nan 8.290 nan 0.000 0.571 116 Y N 0.154 120.358 120.300 -0.159 0.000 2.200 116 Y HA 0.033 4.582 4.550 -0.000 0.000 0.290 116 Y C 2.990 178.720 175.900 -0.285 0.000 1.137 116 Y CA 1.244 59.224 58.100 -0.200 0.000 1.163 116 Y CB -0.514 37.824 38.460 -0.203 0.000 0.988 116 Y HN 0.054 nan 8.280 nan 0.000 0.518 117 R N -0.175 120.175 120.500 -0.250 0.000 2.096 117 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 117 R C 2.302 178.396 176.300 -0.344 0.000 1.139 117 R CA 1.683 57.536 56.100 -0.411 0.000 0.952 117 R CB -0.887 28.948 30.300 -0.775 0.000 0.854 117 R HN 0.184 nan 8.270 nan 0.000 0.436 118 V N 0.204 119.886 119.914 -0.386 0.000 2.307 118 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 118 V C 2.231 178.265 176.094 -0.100 0.000 1.045 118 V CA 1.875 64.059 62.300 -0.193 0.000 1.024 118 V CB -0.578 31.196 31.823 -0.082 0.000 0.651 118 V HN 0.566 nan 8.190 nan 0.000 0.449 119 A N -0.271 122.493 122.820 -0.092 0.000 1.892 119 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 119 A C 2.184 179.745 177.584 -0.038 0.000 1.188 119 A CA 2.172 54.179 52.037 -0.051 0.000 0.631 119 A CB -0.629 18.354 19.000 -0.028 0.000 0.822 119 A HN 0.511 nan 8.150 nan 0.000 0.447 120 L N -1.257 119.939 121.223 -0.045 0.000 2.046 120 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 120 L C 3.375 180.232 176.870 -0.022 0.000 1.077 120 L CA 1.529 56.349 54.840 -0.034 0.000 0.747 120 L CB -0.899 41.133 42.059 -0.046 0.000 0.896 120 L HN 0.592 nan 8.230 nan 0.000 0.432 121 R N 0.444 120.925 120.500 -0.031 0.000 2.083 121 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 121 R C 1.934 178.227 176.300 -0.011 0.000 1.137 121 R CA 1.766 57.857 56.100 -0.014 0.000 0.951 121 R CB -1.345 28.942 30.300 -0.022 0.000 0.851 121 R HN 0.450 nan 8.270 nan 0.000 0.434 122 E N 0.634 120.823 120.200 -0.019 0.000 2.153 122 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 122 E C 1.351 177.939 176.600 -0.020 0.000 0.988 122 E CA 1.156 57.546 56.400 -0.016 0.000 0.811 122 E CB 0.024 29.713 29.700 -0.019 0.000 0.746 122 E HN 0.566 nan 8.360 nan 0.000 0.466 123 K N 0.309 120.694 120.400 -0.025 0.000 2.437 123 K HA 0.053 4.373 4.320 -0.000 0.000 0.198 123 K C 0.533 177.119 176.600 -0.024 0.000 1.024 123 K CA 0.483 56.750 56.287 -0.032 0.000 1.148 123 K CB 0.424 32.899 32.500 -0.042 0.000 0.860 123 K HN 0.026 nan 8.250 nan 0.000 0.515 124 K N 0.235 120.629 120.400 -0.010 0.000 3.096 124 K HA -0.133 4.187 4.320 -0.000 0.000 0.266 124 K C -0.360 176.251 176.600 0.017 0.000 1.043 124 K CA 1.164 57.454 56.287 0.005 0.000 0.758 124 K CB -2.891 29.609 32.500 0.000 0.000 1.260 124 K HN 0.088 nan 8.250 nan 0.000 0.481 125 V N 0.847 120.769 119.914 0.014 0.000 2.398 125 V HA 0.480 4.599 4.120 -0.000 0.000 0.286 125 V C 0.842 176.958 176.094 0.037 0.000 1.026 125 V CA -0.917 61.394 62.300 0.018 0.000 0.868 125 V CB 2.040 33.858 31.823 -0.008 0.000 0.982 125 V HN 0.436 nan 8.190 nan 0.000 0.443 126 V N 5.916 125.857 119.914 0.044 0.000 2.479 126 V HA 0.092 4.212 4.120 -0.000 0.000 0.281 126 V C -0.344 175.773 176.094 0.037 0.000 1.031 126 V CA -0.144 62.181 62.300 0.042 0.000 1.038 126 V CB 0.235 32.094 31.823 0.061 0.000 0.981 126 V HN 0.747 nan 8.190 nan 0.000 0.478 127 Y N 4.900 125.162 120.300 -0.063 0.000 2.331 127 Y HA 0.659 5.209 4.550 -0.000 0.000 0.338 127 Y C -0.252 175.620 175.900 -0.048 0.000 0.992 127 Y CA -1.668 56.391 58.100 -0.068 0.000 1.121 127 Y CB 1.532 39.952 38.460 -0.068 0.000 1.184 127 Y HN 0.712 nan 8.280 nan 0.000 0.469 128 E N 4.415 124.419 120.200 -0.326 0.000 2.216 128 E HA 0.224 4.573 4.350 -0.000 0.000 0.260 128 E C -1.270 175.079 176.600 -0.418 0.000 0.880 128 E CA -0.502 55.650 56.400 -0.413 0.000 0.765 128 E CB 0.511 30.106 29.700 -0.175 0.000 1.174 128 E HN 0.576 nan 8.360 nan 0.000 0.417 129 N N 3.196 121.568 118.700 -0.547 0.000 2.971 129 N HA 0.279 5.019 4.740 -0.000 0.000 0.294 129 N C -1.684 173.870 175.510 0.072 0.000 1.210 129 N CA 0.169 53.142 53.050 -0.129 0.000 1.157 129 N CB -0.104 38.331 38.487 -0.086 0.000 1.450 129 N HN 0.462 nan 8.380 nan 0.000 0.527 130 A N 1.913 124.778 122.820 0.075 0.000 2.539 130 A HA 0.368 4.688 4.320 -0.000 0.000 0.296 130 A C -1.640 175.954 177.584 0.017 0.000 1.073 130 A CA -0.726 51.299 52.037 -0.020 0.000 0.700 130 A CB 0.751 19.708 19.000 -0.070 0.000 1.296 130 A HN 0.422 nan 8.150 nan 0.000 0.405 131 Y N 1.482 121.596 120.300 -0.310 0.000 2.404 131 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 131 Y C 0.836 176.660 175.900 -0.127 0.000 0.995 131 Y CA 0.444 58.423 58.100 -0.202 0.000 1.201 131 Y CB 0.737 38.955 38.460 -0.403 0.000 1.151 131 Y HN 0.813 nan 8.280 nan 0.000 0.517 132 G N 4.864 113.457 108.800 -0.345 0.000 2.420 132 G HA2 0.432 4.391 3.960 -0.000 0.000 0.284 132 G HA3 0.432 4.391 3.960 -0.000 0.000 0.284 132 G C -1.483 173.198 174.900 -0.365 0.000 1.177 132 G CA -0.564 44.358 45.100 -0.297 0.000 0.841 132 G HN 0.657 nan 8.290 nan 0.000 0.527 133 Q N 1.057 120.701 119.800 -0.260 0.000 2.380 133 Q HA 0.267 4.606 4.340 -0.000 0.000 0.245 133 Q C -1.362 174.546 176.000 -0.155 0.000 0.893 133 Q CA -0.687 55.025 55.803 -0.152 0.000 0.922 133 Q CB 1.274 30.009 28.738 -0.006 0.000 1.432 133 Q HN 0.444 nan 8.270 nan 0.000 0.434 134 F N 4.079 123.976 119.950 -0.089 0.000 2.572 134 F HA 0.068 4.595 4.527 -0.000 0.000 0.370 134 F C 1.546 177.312 175.800 -0.056 0.000 1.103 134 F CA 0.527 58.458 58.000 -0.115 0.000 1.286 134 F CB 0.567 39.463 39.000 -0.174 0.000 1.105 134 F HN 0.600 nan 8.300 nan 0.000 0.583 135 I N -0.591 120.068 120.570 0.147 0.000 4.139 135 I HA 0.612 4.782 4.170 -0.000 0.000 0.320 135 I C 0.779 176.957 176.117 0.102 0.000 1.290 135 I CA 0.209 61.570 61.300 0.102 0.000 1.253 135 I CB 0.328 38.371 38.000 0.072 0.000 1.122 135 I HN 0.554 nan 8.210 nan 0.000 0.421 136 G N 0.908 109.786 108.800 0.130 0.000 2.441 136 G HA2 0.371 4.331 3.960 -0.000 0.000 0.294 136 G HA3 0.371 4.331 3.960 -0.000 0.000 0.294 136 G C -3.233 171.756 174.900 0.149 0.000 1.393 136 G CA -0.926 44.240 45.100 0.110 0.000 0.796 136 G HN -0.232 nan 8.290 nan 0.000 0.494 137 P HA 0.212 nan 4.420 nan 0.000 0.258 137 P C -0.102 177.409 177.300 0.351 0.000 1.172 137 P CA 1.059 64.308 63.100 0.247 0.000 0.762 137 P CB -0.122 31.718 31.700 0.234 0.000 0.764 138 H N -0.236 118.963 119.070 0.215 0.000 3.179 138 H HA -0.208 4.348 4.556 -0.000 0.000 0.250 138 H C 0.258 175.820 175.328 0.390 0.000 1.142 138 H CA 1.115 57.336 56.048 0.289 0.000 1.165 138 H CB -1.396 28.404 29.762 0.063 0.000 1.253 138 H HN 0.467 nan 8.280 nan 0.000 0.325 139 R N 0.043 120.738 120.500 0.325 0.000 2.686 139 R HA 0.753 5.093 4.340 -0.000 0.000 0.286 139 R C -0.751 175.628 176.300 0.133 0.000 0.969 139 R CA -0.918 55.346 56.100 0.273 0.000 0.898 139 R CB 2.551 32.975 30.300 0.207 0.000 1.183 139 R HN 0.171 nan 8.270 nan 0.000 0.456 140 I N 0.974 121.612 120.570 0.113 0.000 2.722 140 I HA 0.254 4.423 4.170 -0.000 0.000 0.295 140 I C -1.193 174.923 176.117 -0.002 0.000 1.161 140 I CA -0.631 60.633 61.300 -0.061 0.000 1.032 140 I CB 2.044 39.948 38.000 -0.161 0.000 1.244 140 I HN 0.412 nan 8.210 nan 0.000 0.421 141 K N 5.711 126.089 120.400 -0.037 0.000 2.206 141 K HA 0.893 5.213 4.320 -0.000 0.000 0.264 141 K C -1.073 175.504 176.600 -0.038 0.000 0.967 141 K CA -0.095 56.185 56.287 -0.012 0.000 0.844 141 K CB 1.542 34.045 32.500 0.006 0.000 1.099 141 K HN 0.749 nan 8.250 nan 0.000 0.441 142 A N 2.923 125.726 122.820 -0.030 0.000 2.291 142 A HA 0.592 4.912 4.320 -0.000 0.000 0.311 142 A C -0.360 177.194 177.584 -0.051 0.000 1.224 142 A CA -0.671 51.337 52.037 -0.047 0.000 0.821 142 A CB 1.099 20.069 19.000 -0.049 0.000 1.172 142 A HN 0.879 nan 8.150 nan 0.000 0.494 143 T N 3.678 118.191 114.554 -0.068 0.000 2.756 143 T HA 0.368 4.718 4.350 -0.000 0.000 0.290 143 T C 0.447 175.016 174.700 -0.218 0.000 0.985 143 T CA -0.717 61.314 62.100 -0.114 0.000 0.955 143 T CB 0.493 69.295 68.868 -0.110 0.000 0.930 143 T HN 0.865 nan 8.240 nan 0.000 0.451 144 N N 2.758 121.363 118.700 -0.159 0.000 2.327 144 N HA 0.083 4.823 4.740 -0.000 0.000 0.257 144 N C 1.075 176.490 175.510 -0.159 0.000 1.281 144 N CA -0.586 52.376 53.050 -0.147 0.000 0.942 144 N CB 0.212 38.662 38.487 -0.063 0.000 1.199 144 N HN 0.313 nan 8.380 nan 0.000 0.532 145 N N -0.936 117.759 118.700 -0.008 0.000 2.069 145 N HA -0.202 4.538 4.740 -0.000 0.000 0.191 145 N C 1.350 176.877 175.510 0.028 0.000 1.031 145 N CA 2.672 55.781 53.050 0.099 0.000 0.852 145 N CB -0.611 37.997 38.487 0.201 0.000 1.018 145 N HN 0.747 nan 8.380 nan 0.000 0.423 146 K N -0.241 120.165 120.400 0.011 0.000 2.555 146 K HA 0.247 4.567 4.320 -0.000 0.000 0.193 146 K C 1.388 177.976 176.600 -0.020 0.000 1.032 146 K CA 1.045 57.333 56.287 0.001 0.000 1.004 146 K CB -1.057 31.445 32.500 0.004 0.000 0.804 146 K HN 0.555 nan 8.250 nan 0.000 0.496 147 G N -2.628 106.144 108.800 -0.046 0.000 2.195 147 G HA2 0.111 4.071 3.960 -0.000 0.000 0.224 147 G HA3 0.111 4.071 3.960 -0.000 0.000 0.224 147 G C 0.545 175.414 174.900 -0.052 0.000 0.990 147 G CA 0.699 45.764 45.100 -0.058 0.000 0.639 147 G HN 1.236 nan 8.290 nan 0.000 0.514 148 K N 0.342 120.716 120.400 -0.043 0.000 2.350 148 K HA 0.783 5.103 4.320 -0.000 0.000 0.279 148 K C 0.183 176.760 176.600 -0.039 0.000 1.027 148 K CA 1.169 57.436 56.287 -0.033 0.000 0.969 148 K CB 0.094 32.580 32.500 -0.023 0.000 0.954 148 K HN 1.804 nan 8.250 nan 0.000 0.474 149 E N 1.363 121.547 120.200 -0.026 0.000 2.214 149 E HA 0.615 4.965 4.350 -0.000 0.000 0.274 149 E C -0.452 176.143 176.600 -0.009 0.000 0.977 149 E CA -0.843 55.544 56.400 -0.021 0.000 0.827 149 E CB 1.132 30.824 29.700 -0.012 0.000 1.130 149 E HN 0.652 nan 8.360 nan 0.000 0.394 150 K N 1.688 122.085 120.400 -0.004 0.000 2.498 150 K HA 0.584 4.903 4.320 -0.000 0.000 0.254 150 K C -1.395 175.220 176.600 0.025 0.000 0.933 150 K CA -0.629 55.665 56.287 0.012 0.000 0.806 150 K CB 1.569 34.076 32.500 0.011 0.000 1.301 150 K HN 0.595 nan 8.250 nan 0.000 0.432 151 I N 3.230 123.826 120.570 0.044 0.000 2.359 151 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 151 I C -0.903 175.273 176.117 0.099 0.000 0.987 151 I CA -0.722 60.617 61.300 0.066 0.000 1.225 151 I CB 1.375 39.415 38.000 0.067 0.000 1.366 151 I HN 0.432 nan 8.210 nan 0.000 0.466 152 Y N 1.803 122.183 120.300 0.134 0.000 2.512 152 Y HA 0.549 5.099 4.550 -0.000 0.000 0.348 152 Y C 0.248 176.317 175.900 0.280 0.000 0.990 152 Y CA -1.468 56.750 58.100 0.197 0.000 1.033 152 Y CB 2.177 40.749 38.460 0.187 0.000 1.259 152 Y HN 0.680 nan 8.280 nan 0.000 0.461 153 S N 0.657 116.549 115.700 0.320 0.000 2.566 153 S HA 0.960 5.430 4.470 -0.000 0.000 0.298 153 S C -0.538 174.290 174.600 0.380 0.000 1.083 153 S CA -0.550 57.906 58.200 0.426 0.000 0.978 153 S CB 2.051 65.504 63.200 0.421 0.000 1.073 153 S HN 1.628 nan 8.310 nan 0.000 0.491 154 A N 0.532 123.557 122.820 0.342 0.000 2.572 154 A HA 0.673 4.993 4.320 -0.000 0.000 0.295 154 A C 0.417 177.902 177.584 -0.165 0.000 1.072 154 A CA -0.619 51.417 52.037 -0.002 0.000 0.691 154 A CB 1.275 19.913 19.000 -0.603 0.000 1.291 154 A HN 0.964 nan 8.150 nan 0.000 0.404 155 E N 0.243 120.281 120.200 -0.269 0.000 2.106 155 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 155 E C 0.454 177.090 176.600 0.060 0.000 0.984 155 E CA 0.992 57.178 56.400 -0.356 0.000 0.806 155 E CB 0.130 29.795 29.700 -0.059 0.000 0.750 155 E HN 0.570 nan 8.360 nan 0.000 0.458 156 R N -1.245 119.329 120.500 0.124 0.000 2.836 156 R HA 0.449 4.789 4.340 -0.000 0.000 0.269 156 R C -1.468 174.908 176.300 0.126 0.000 1.010 156 R CA -0.745 55.547 56.100 0.320 0.000 0.930 156 R CB 1.379 31.842 30.300 0.271 0.000 1.218 156 R HN -0.099 nan 8.270 nan 0.000 0.473 157 F N 0.899 120.994 119.950 0.241 0.000 2.565 157 F HA 0.457 4.984 4.527 -0.000 0.000 0.313 157 F C -0.862 175.049 175.800 0.184 0.000 1.091 157 F CA -0.947 57.171 58.000 0.197 0.000 0.915 157 F CB 1.868 41.039 39.000 0.284 0.000 1.208 157 F HN 0.135 nan 8.300 nan 0.000 0.453 158 L N 4.585 125.980 121.223 0.286 0.000 2.343 158 L HA 0.609 4.948 4.340 -0.000 0.000 0.278 158 L C -0.960 176.025 176.870 0.192 0.000 0.996 158 L CA -0.636 54.333 54.840 0.216 0.000 0.831 158 L CB 1.011 43.143 42.059 0.120 0.000 1.232 158 L HN 0.467 nan 8.230 nan 0.000 0.413 159 I N 5.653 126.332 120.570 0.183 0.000 2.363 159 I HA 0.429 4.598 4.170 -0.000 0.000 0.292 159 I C 0.522 176.695 176.117 0.095 0.000 1.075 159 I CA 0.111 61.494 61.300 0.139 0.000 1.333 159 I CB 1.109 39.182 38.000 0.122 0.000 1.415 159 I HN 0.835 nan 8.210 nan 0.000 0.502 160 A N 4.026 126.889 122.820 0.072 0.000 3.253 160 A HA 0.338 4.658 4.320 -0.000 0.000 0.290 160 A C 0.687 178.300 177.584 0.048 0.000 0.950 160 A CA -0.321 51.750 52.037 0.056 0.000 0.986 160 A CB 0.022 19.047 19.000 0.042 0.000 1.104 160 A HN 0.650 nan 8.150 nan 0.000 0.481 161 T N 0.088 114.674 114.554 0.054 0.000 3.060 161 T HA 0.416 4.766 4.350 -0.000 0.000 0.249 161 T C 1.299 176.043 174.700 0.073 0.000 1.079 161 T CA 1.157 63.288 62.100 0.052 0.000 1.013 161 T CB -0.089 68.802 68.868 0.037 0.000 0.975 161 T HN 1.742 nan 8.240 nan 0.000 0.518 162 G N 1.843 110.687 108.800 0.074 0.000 2.697 162 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.240 162 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.240 162 G C -0.698 174.257 174.900 0.092 0.000 1.346 162 G CA -0.395 44.756 45.100 0.086 0.000 0.887 162 G HN 0.464 nan 8.290 nan 0.000 0.569 163 E N -0.374 119.888 120.200 0.102 0.000 2.393 163 E HA 0.776 5.126 4.350 -0.000 0.000 0.265 163 E C -0.345 176.328 176.600 0.121 0.000 0.941 163 E CA -1.172 55.288 56.400 0.100 0.000 0.801 163 E CB 1.750 31.498 29.700 0.081 0.000 1.313 163 E HN 0.462 nan 8.360 nan 0.000 0.435 164 R N 0.447 121.014 120.500 0.112 0.000 2.771 164 R HA 0.458 4.798 4.340 -0.000 0.000 0.274 164 R C -2.738 173.605 176.300 0.072 0.000 0.987 164 R CA -2.532 53.642 56.100 0.124 0.000 0.908 164 R CB 0.942 31.330 30.300 0.147 0.000 1.213 164 R HN 0.325 nan 8.270 nan 0.000 0.468 165 P HA 0.095 nan 4.420 nan 0.000 0.266 165 P C -0.303 176.929 177.300 -0.112 0.000 1.195 165 P CA 0.149 63.210 63.100 -0.065 0.000 0.768 165 P CB 0.586 32.205 31.700 -0.135 0.000 0.838 166 R N 2.348 122.780 120.500 -0.114 0.000 2.404 166 R HA 0.397 4.737 4.340 -0.000 0.000 0.291 166 R C -0.381 175.825 176.300 -0.156 0.000 1.025 166 R CA -0.419 55.647 56.100 -0.057 0.000 0.991 166 R CB 0.542 30.844 30.300 0.003 0.000 1.053 166 R HN 0.478 nan 8.270 nan 0.000 0.479 167 Y N 1.500 121.820 120.300 0.034 0.000 2.419 167 Y HA 0.293 4.842 4.550 -0.000 0.000 0.328 167 Y C 0.461 176.378 175.900 0.030 0.000 1.162 167 Y CA -0.690 57.428 58.100 0.031 0.000 1.174 167 Y CB 1.209 39.686 38.460 0.029 0.000 1.228 167 Y HN 0.274 nan 8.280 nan 0.000 0.473 168 L N 1.343 122.688 121.223 0.204 0.000 2.417 168 L HA 0.224 4.564 4.340 -0.000 0.000 0.268 168 L C 1.263 178.209 176.870 0.127 0.000 1.158 168 L CA -0.139 54.780 54.840 0.131 0.000 0.819 168 L CB 0.634 42.757 42.059 0.107 0.000 1.112 168 L HN 0.966 nan 8.230 nan 0.000 0.458 169 G N 3.839 112.692 108.800 0.089 0.000 3.352 169 G HA2 0.202 4.162 3.960 -0.000 0.000 0.236 169 G HA3 0.202 4.162 3.960 -0.000 0.000 0.236 169 G C 0.192 175.124 174.900 0.053 0.000 1.324 169 G CA -0.173 44.966 45.100 0.065 0.000 1.404 169 G HN 0.546 nan 8.290 nan 0.000 0.542 170 I N -3.556 117.053 120.570 0.065 0.000 2.707 170 I HA 0.663 4.833 4.170 -0.000 0.000 0.309 170 I C -2.679 173.469 176.117 0.053 0.000 1.001 170 I CA -3.409 57.927 61.300 0.060 0.000 1.129 170 I CB 1.843 39.888 38.000 0.075 0.000 1.308 170 I HN -0.265 nan 8.210 nan 0.000 0.466 171 P HA 0.240 nan 4.420 nan 0.000 0.271 171 P C 0.642 178.002 177.300 0.101 0.000 1.220 171 P CA 0.626 63.761 63.100 0.058 0.000 0.768 171 P CB 0.995 32.731 31.700 0.059 0.000 0.848 172 G N 3.216 112.076 108.800 0.100 0.000 2.213 172 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 172 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 172 G C 0.954 175.940 174.900 0.143 0.000 0.991 172 G CA 0.511 45.742 45.100 0.220 0.000 0.629 172 G HN 0.569 nan 8.290 nan 0.000 0.517 173 D N 1.273 121.721 120.400 0.080 0.000 2.087 173 D HA -0.082 4.558 4.640 -0.000 0.000 0.192 173 D C 2.036 178.330 176.300 -0.010 0.000 0.993 173 D CA 2.090 56.154 54.000 0.106 0.000 0.828 173 D CB -0.770 40.120 40.800 0.150 0.000 0.968 173 D HN 0.329 nan 8.370 nan 0.000 0.448 174 K N 0.194 120.432 120.400 -0.269 0.000 2.217 174 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 174 K C 2.098 178.537 176.600 -0.268 0.000 1.051 174 K CA 1.398 57.395 56.287 -0.483 0.000 0.952 174 K CB -0.316 31.858 32.500 -0.543 0.000 0.736 174 K HN 0.646 nan 8.250 nan 0.000 0.453 175 E N -1.418 118.593 120.200 -0.315 0.000 2.216 175 E HA -0.060 4.289 4.350 -0.000 0.000 0.192 175 E C 1.150 177.465 176.600 -0.476 0.000 0.973 175 E CA 1.105 57.212 56.400 -0.487 0.000 0.851 175 E CB -0.116 29.122 29.700 -0.770 0.000 0.804 175 E HN 0.629 nan 8.360 nan 0.000 0.477 176 Y N 0.590 120.912 120.300 0.037 0.000 2.430 176 Y HA 0.273 4.823 4.550 -0.000 0.000 0.254 176 Y C 1.213 177.164 175.900 0.084 0.000 1.088 176 Y CA -0.990 57.144 58.100 0.056 0.000 1.267 176 Y CB 0.291 38.777 38.460 0.044 0.000 1.204 176 Y HN -0.024 nan 8.280 nan 0.000 0.515 177 C N 2.126 121.559 119.300 0.222 0.000 2.351 177 C HA 0.692 5.152 4.460 -0.000 0.000 0.359 177 C C 0.559 175.669 174.990 0.199 0.000 1.193 177 C CA -1.208 57.930 59.018 0.201 0.000 2.270 177 C CB 0.291 28.157 27.740 0.210 0.000 2.369 177 C HN 0.333 nan 8.230 nan 0.000 0.553 178 I N 0.323 120.974 120.570 0.134 0.000 2.910 178 I HA 0.841 5.011 4.170 -0.000 0.000 0.310 178 I C 0.043 176.173 176.117 0.021 0.000 1.043 178 I CA -0.173 61.187 61.300 0.100 0.000 1.053 178 I CB 1.858 39.892 38.000 0.056 0.000 1.242 178 I HN 0.694 nan 8.210 nan 0.000 0.452 179 S N 0.672 116.364 115.700 -0.013 0.000 2.806 179 S HA 0.349 4.819 4.470 -0.000 0.000 0.315 179 S C 0.980 175.516 174.600 -0.108 0.000 1.127 179 S CA -0.034 58.108 58.200 -0.097 0.000 0.918 179 S CB 1.162 64.269 63.200 -0.154 0.000 1.240 179 S HN 0.910 nan 8.310 nan 0.000 0.552 180 S N 0.412 116.039 115.700 -0.121 0.000 2.387 180 S HA -0.236 4.234 4.470 -0.000 0.000 0.230 180 S C 1.005 175.522 174.600 -0.138 0.000 1.035 180 S CA 1.928 60.013 58.200 -0.191 0.000 1.014 180 S CB -1.142 62.072 63.200 0.024 0.000 0.836 180 S HN 0.692 nan 8.310 nan 0.000 0.466 181 D N 2.141 122.567 120.400 0.043 0.000 2.149 181 D HA -0.043 4.597 4.640 -0.000 0.000 0.198 181 D C 1.380 177.805 176.300 0.208 0.000 0.990 181 D CA 1.666 55.775 54.000 0.182 0.000 0.839 181 D CB -0.537 40.503 40.800 0.400 0.000 0.948 181 D HN 0.634 nan 8.370 nan 0.000 0.460 182 D N -0.803 119.666 120.400 0.115 0.000 2.240 182 D HA -0.007 4.633 4.640 -0.000 0.000 0.206 182 D C 1.794 178.108 176.300 0.023 0.000 0.963 182 D CA -0.056 54.014 54.000 0.116 0.000 0.863 182 D CB -0.020 40.843 40.800 0.106 0.000 0.973 182 D HN 0.011 nan 8.370 nan 0.000 0.501 183 L N 0.060 121.197 121.223 -0.143 0.000 2.042 183 L HA -0.103 4.236 4.340 -0.000 0.000 0.210 183 L C 1.155 177.985 176.870 -0.067 0.000 1.076 183 L CA 1.673 56.398 54.840 -0.192 0.000 0.749 183 L CB -0.556 41.241 42.059 -0.438 0.000 0.893 183 L HN -0.029 nan 8.230 nan 0.000 0.432 184 F N -0.946 119.077 119.950 0.120 0.000 2.748 184 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 184 F C 2.107 177.912 175.800 0.009 0.000 1.154 184 F CA 0.661 58.683 58.000 0.037 0.000 1.446 184 F CB -0.863 38.111 39.000 -0.044 0.000 1.112 184 F HN 0.331 nan 8.300 nan 0.000 0.584 185 S N -1.229 114.588 115.700 0.195 0.000 2.819 185 S HA 0.263 4.733 4.470 -0.000 0.000 0.249 185 S C 0.054 174.741 174.600 0.146 0.000 1.030 185 S CA -0.423 57.867 58.200 0.150 0.000 1.052 185 S CB -0.492 62.815 63.200 0.178 0.000 1.017 185 S HN 0.031 nan 8.310 nan 0.000 0.576 186 L N 4.209 125.538 121.223 0.177 0.000 2.584 186 L HA 0.303 4.642 4.340 -0.000 0.000 0.272 186 L C -1.752 175.207 176.870 0.148 0.000 1.195 186 L CA -1.189 53.694 54.840 0.072 0.000 0.920 186 L CB 0.404 42.454 42.059 -0.014 0.000 1.173 186 L HN 0.044 nan 8.230 nan 0.000 0.489 187 P HA 0.016 nan 4.420 nan 0.000 0.253 187 P C -1.389 176.123 177.300 0.353 0.000 1.281 187 P CA 0.515 63.756 63.100 0.235 0.000 0.792 187 P CB -0.319 31.540 31.700 0.265 0.000 1.193 188 Y N -3.597 116.862 120.300 0.265 0.000 2.609 188 Y HA 0.494 5.044 4.550 -0.000 0.000 0.336 188 Y C -0.492 175.270 175.900 -0.231 0.000 1.129 188 Y CA -1.950 56.223 58.100 0.122 0.000 1.040 188 Y CB 0.086 38.566 38.460 0.034 0.000 1.310 188 Y HN -0.221 nan 8.280 nan 0.000 0.460 189 C N 3.966 123.117 119.300 -0.248 0.000 2.648 189 C HA 0.319 4.779 4.460 -0.000 0.000 0.415 189 C C -1.190 173.516 174.990 -0.474 0.000 1.366 189 C CA -1.294 57.244 59.018 -0.799 0.000 1.756 189 C CB 0.086 27.688 27.740 -0.231 0.000 2.549 189 C HN 0.786 nan 8.230 nan 0.000 0.597 190 P HA 0.164 nan 4.420 nan 0.000 0.223 190 P C 1.091 178.304 177.300 -0.144 0.000 1.151 190 P CA 1.932 64.837 63.100 -0.326 0.000 0.787 190 P CB -0.149 31.299 31.700 -0.419 0.000 0.788 191 G N -0.012 108.690 108.800 -0.163 0.000 2.552 191 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.265 191 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.265 191 G C -0.292 174.577 174.900 -0.052 0.000 1.234 191 G CA -0.230 44.829 45.100 -0.069 0.000 0.944 191 G HN 0.449 nan 8.290 nan 0.000 0.568 192 K N 1.821 122.217 120.400 -0.006 0.000 2.419 192 K HA 0.410 4.730 4.320 -0.000 0.000 0.282 192 K C 0.552 177.170 176.600 0.030 0.000 1.056 192 K CA 0.917 57.221 56.287 0.030 0.000 1.035 192 K CB -0.283 32.265 32.500 0.081 0.000 0.921 192 K HN 0.907 nan 8.250 nan 0.000 0.472 193 T N -0.200 114.318 114.554 -0.059 0.000 2.863 193 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 193 T C -0.328 174.141 174.700 -0.385 0.000 1.009 193 T CA -1.077 60.922 62.100 -0.168 0.000 0.989 193 T CB 1.381 70.143 68.868 -0.177 0.000 1.004 193 T HN 0.341 nan 8.240 nan 0.000 0.455 194 L N 3.010 123.875 121.223 -0.597 0.000 2.287 194 L HA 0.891 5.231 4.340 -0.000 0.000 0.287 194 L C 0.090 176.731 176.870 -0.383 0.000 1.022 194 L CA -1.147 53.244 54.840 -0.748 0.000 0.814 194 L CB 0.796 42.131 42.059 -1.207 0.000 1.217 194 L HN 0.865 nan 8.230 nan 0.000 0.420 195 V N 4.379 124.106 119.914 -0.310 0.000 2.364 195 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 195 V C 0.279 176.276 176.094 -0.161 0.000 1.036 195 V CA -0.742 61.431 62.300 -0.213 0.000 0.880 195 V CB 1.345 33.044 31.823 -0.208 0.000 0.991 195 V HN 0.668 nan 8.190 nan 0.000 0.460 196 V N 5.054 124.901 119.914 -0.111 0.000 2.364 196 V HA 0.918 5.038 4.120 -0.000 0.000 0.272 196 V C 0.675 176.746 176.094 -0.038 0.000 1.036 196 V CA 0.495 62.762 62.300 -0.056 0.000 0.880 196 V CB 0.456 32.264 31.823 -0.026 0.000 0.991 196 V HN 1.228 nan 8.190 nan 0.000 0.460 197 G N 3.825 112.619 108.800 -0.010 0.000 2.357 197 G HA2 0.463 4.422 3.960 -0.000 0.000 0.643 197 G HA3 0.463 4.422 3.960 -0.000 0.000 0.643 197 G C -0.361 174.553 174.900 0.024 0.000 1.358 197 G CA -0.068 45.034 45.100 0.003 0.000 0.986 197 G HN 1.381 nan 8.290 nan 0.000 0.620 198 A N -0.236 122.606 122.820 0.037 0.000 2.594 198 A HA 0.744 5.063 4.320 -0.000 0.000 0.292 198 A C 1.073 178.681 177.584 0.040 0.000 1.026 198 A CA 1.213 53.287 52.037 0.061 0.000 0.983 198 A CB -0.440 18.610 19.000 0.084 0.000 1.233 198 A HN 2.321 nan 8.150 nan 0.000 0.519 199 S N -0.658 115.045 115.700 0.004 0.000 2.608 199 S HA 0.297 4.767 4.470 -0.000 0.000 0.261 199 S C 1.136 175.721 174.600 -0.025 0.000 1.314 199 S CA 0.217 58.401 58.200 -0.025 0.000 0.992 199 S CB -0.044 63.083 63.200 -0.122 0.000 0.935 199 S HN 0.883 nan 8.310 nan 0.000 0.564 200 Y N -0.293 119.996 120.300 -0.018 0.000 2.207 200 Y HA -0.051 4.498 4.550 -0.000 0.000 0.287 200 Y C 1.848 177.761 175.900 0.021 0.000 1.156 200 Y CA 1.156 59.218 58.100 -0.064 0.000 1.182 200 Y CB -1.177 37.221 38.460 -0.104 0.000 0.979 200 Y HN 0.292 nan 8.280 nan 0.000 0.521 201 V N 1.541 121.332 119.914 -0.205 0.000 2.332 201 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 201 V C 2.930 179.025 176.094 0.002 0.000 1.055 201 V CA 1.876 64.152 62.300 -0.039 0.000 1.038 201 V CB -1.489 30.233 31.823 -0.169 0.000 0.651 201 V HN 0.673 nan 8.190 nan 0.000 0.450 202 A N -0.064 122.727 122.820 -0.049 0.000 1.858 202 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 202 A C 2.206 179.765 177.584 -0.042 0.000 1.190 202 A CA 1.983 53.988 52.037 -0.053 0.000 0.617 202 A CB -0.546 18.430 19.000 -0.041 0.000 0.827 202 A HN 0.508 nan 8.150 nan 0.000 0.443 203 L N -1.055 120.177 121.223 0.015 0.000 2.109 203 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 203 L C 2.560 179.448 176.870 0.031 0.000 1.086 203 L CA 1.327 56.190 54.840 0.039 0.000 0.760 203 L CB -0.695 41.416 42.059 0.086 0.000 0.910 203 L HN 0.456 nan 8.230 nan 0.000 0.437 204 E N -0.258 119.992 120.200 0.083 0.000 2.058 204 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 204 E C 2.344 178.931 176.600 -0.022 0.000 0.997 204 E CA 1.774 58.261 56.400 0.145 0.000 0.801 204 E CB -0.193 29.684 29.700 0.294 0.000 0.746 204 E HN 0.519 nan 8.360 nan 0.000 0.450 205 C N 0.532 119.714 119.300 -0.196 0.000 2.453 205 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 205 C C 2.918 177.440 174.990 -0.780 0.000 1.262 205 C CA 0.672 59.211 59.018 -0.798 0.000 1.718 205 C CB -0.986 26.532 27.740 -0.369 0.000 2.031 205 C HN 0.537 nan 8.230 nan 0.000 0.480 206 A N 1.006 123.603 122.820 -0.372 0.000 1.892 206 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 206 A C 2.377 179.823 177.584 -0.230 0.000 1.188 206 A CA 2.405 54.272 52.037 -0.283 0.000 0.631 206 A CB -1.369 17.504 19.000 -0.211 0.000 0.822 206 A HN 0.576 nan 8.150 nan 0.000 0.447 207 G N -0.303 108.412 108.800 -0.142 0.000 2.421 207 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 207 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 207 G C 1.379 176.330 174.900 0.085 0.000 1.171 207 G CA 1.378 46.490 45.100 0.020 0.000 0.775 207 G HN 0.831 nan 8.290 nan 0.000 0.543 208 F N 0.534 120.574 119.950 0.150 0.000 2.293 208 F HA 0.324 4.851 4.527 -0.000 0.000 0.297 208 F C 2.151 178.009 175.800 0.097 0.000 1.089 208 F CA 0.102 58.189 58.000 0.145 0.000 1.377 208 F CB -0.664 38.451 39.000 0.192 0.000 1.051 208 F HN 0.038 nan 8.300 nan 0.000 0.511 209 L N 0.879 122.077 121.223 -0.041 0.000 2.083 209 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 209 L C 2.912 179.802 176.870 0.035 0.000 1.083 209 L CA 1.256 56.129 54.840 0.054 0.000 0.752 209 L CB -1.088 40.891 42.059 -0.135 0.000 0.899 209 L HN 0.371 nan 8.230 nan 0.000 0.433 210 A N 0.188 123.004 122.820 -0.007 0.000 1.929 210 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 210 A C 2.399 180.012 177.584 0.049 0.000 1.176 210 A CA 1.443 53.485 52.037 0.009 0.000 0.628 210 A CB -1.109 17.889 19.000 -0.004 0.000 0.816 210 A HN 0.424 nan 8.150 nan 0.000 0.444 211 G N -0.181 108.671 108.800 0.087 0.000 2.448 211 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.219 211 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.219 211 G C 1.196 176.114 174.900 0.031 0.000 1.127 211 G CA 1.025 46.173 45.100 0.080 0.000 0.766 211 G HN 0.400 nan 8.290 nan 0.000 0.552 212 I N 0.916 121.500 120.570 0.022 0.000 3.428 212 I HA 0.133 4.303 4.170 -0.000 0.000 0.286 212 I C 2.060 178.185 176.117 0.013 0.000 1.287 212 I CA 1.083 62.332 61.300 -0.085 0.000 1.396 212 I CB -0.812 37.142 38.000 -0.076 0.000 1.062 212 I HN 0.376 nan 8.210 nan 0.000 0.471 213 G N 0.565 109.387 108.800 0.037 0.000 2.163 213 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.213 213 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.213 213 G C 0.263 175.184 174.900 0.035 0.000 0.991 213 G CA 0.102 45.228 45.100 0.044 0.000 0.653 213 G HN 0.120 nan 8.290 nan 0.000 0.518 214 L N 1.060 122.299 121.223 0.027 0.000 2.439 214 L HA 0.620 4.960 4.340 -0.000 0.000 0.261 214 L C 0.834 177.694 176.870 -0.017 0.000 1.153 214 L CA -0.572 54.269 54.840 0.001 0.000 0.808 214 L CB 1.389 43.434 42.059 -0.023 0.000 1.126 214 L HN 0.387 nan 8.230 nan 0.000 0.460 215 D N 0.752 121.139 120.400 -0.021 0.000 2.339 215 D HA 0.322 4.961 4.640 -0.000 0.000 0.241 215 D C -0.828 175.441 176.300 -0.051 0.000 1.183 215 D CA 0.055 54.041 54.000 -0.023 0.000 0.859 215 D CB 1.206 42.005 40.800 -0.001 0.000 1.067 215 D HN 0.248 nan 8.370 nan 0.000 0.484 216 V N 3.636 123.499 119.914 -0.086 0.000 2.495 216 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 216 V C 0.311 176.287 176.094 -0.197 0.000 1.031 216 V CA -0.583 61.625 62.300 -0.153 0.000 0.871 216 V CB 2.166 33.887 31.823 -0.171 0.000 0.988 216 V HN 0.536 nan 8.190 nan 0.000 0.432 217 T N 3.751 118.149 114.554 -0.260 0.000 2.841 217 T HA 0.633 4.983 4.350 -0.000 0.000 0.283 217 T C -0.665 173.814 174.700 -0.368 0.000 1.000 217 T CA -0.455 61.468 62.100 -0.295 0.000 0.977 217 T CB 1.837 70.582 68.868 -0.205 0.000 0.979 217 T HN 0.353 nan 8.240 nan 0.000 0.446 218 V N 3.781 123.431 119.914 -0.439 0.000 2.409 218 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 218 V C -0.212 175.802 176.094 -0.134 0.000 1.020 218 V CA -0.766 61.332 62.300 -0.336 0.000 0.848 218 V CB 1.609 33.164 31.823 -0.448 0.000 0.990 218 V HN 0.859 nan 8.190 nan 0.000 0.430 219 M N 5.500 125.062 119.600 -0.062 0.000 2.088 219 M HA 0.580 5.060 4.480 -0.000 0.000 0.346 219 M C -1.232 175.124 176.300 0.092 0.000 1.111 219 M CA -0.382 54.942 55.300 0.040 0.000 1.017 219 M CB 1.329 33.941 32.600 0.021 0.000 1.568 219 M HN 0.531 nan 8.290 nan 0.000 0.445 220 V N 4.995 125.001 119.914 0.154 0.000 2.667 220 V HA 0.440 4.560 4.120 -0.000 0.000 0.308 220 V C 0.740 176.906 176.094 0.120 0.000 1.048 220 V CA -0.719 61.662 62.300 0.136 0.000 0.928 220 V CB 1.705 33.622 31.823 0.157 0.000 1.004 220 V HN 0.934 nan 8.190 nan 0.000 0.444 221 R N 1.730 122.279 120.500 0.083 0.000 2.052 221 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 221 R C 1.437 177.760 176.300 0.038 0.000 1.145 221 R CA 1.898 58.032 56.100 0.056 0.000 0.952 221 R CB 0.151 30.477 30.300 0.043 0.000 0.847 221 R HN 0.920 nan 8.270 nan 0.000 0.431 222 S N 0.232 115.956 115.700 0.039 0.000 3.830 222 S HA 0.247 4.717 4.470 -0.000 0.000 0.172 222 S C 0.731 175.349 174.600 0.030 0.000 0.966 222 S CA -0.345 57.871 58.200 0.026 0.000 1.124 222 S CB -0.408 62.803 63.200 0.018 0.000 1.697 222 S HN 0.357 nan 8.310 nan 0.000 0.872 223 I N 0.903 121.492 120.570 0.032 0.000 2.664 223 I HA 0.592 4.761 4.170 -0.000 0.000 0.308 223 I C -0.794 175.347 176.117 0.040 0.000 0.984 223 I CA -1.244 60.072 61.300 0.027 0.000 1.213 223 I CB 0.847 38.864 38.000 0.029 0.000 1.379 223 I HN 0.356 nan 8.210 nan 0.000 0.501 224 L N 5.146 126.382 121.223 0.023 0.000 2.371 224 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 224 L C 0.188 177.093 176.870 0.058 0.000 1.124 224 L CA -0.833 54.026 54.840 0.032 0.000 0.816 224 L CB 0.783 42.834 42.059 -0.013 0.000 1.129 224 L HN 0.694 nan 8.230 nan 0.000 0.448 225 L N 2.138 123.401 121.223 0.067 0.000 3.795 225 L HA -0.222 4.117 4.340 -0.000 0.000 0.489 225 L C 0.781 177.823 176.870 0.287 0.000 1.259 225 L CA 0.211 55.115 54.840 0.106 0.000 0.765 225 L CB -1.254 40.768 42.059 -0.063 0.000 1.519 225 L HN 0.715 nan 8.230 nan 0.000 0.842 226 R N 1.017 121.654 120.500 0.229 0.000 2.538 226 R HA 0.248 4.587 4.340 -0.000 0.000 0.282 226 R C 1.447 177.922 176.300 0.292 0.000 1.009 226 R CA 1.378 57.603 56.100 0.209 0.000 1.063 226 R CB 0.323 30.704 30.300 0.134 0.000 0.945 226 R HN 0.579 nan 8.270 nan 0.000 0.414 227 G N 3.434 112.351 108.800 0.195 0.000 2.279 227 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.223 227 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.223 227 G C -0.066 174.834 174.900 0.000 0.000 1.015 227 G CA -0.114 45.025 45.100 0.065 0.000 0.621 227 G HN 0.527 nan 8.290 nan 0.000 0.506 228 F N 1.911 121.931 119.950 0.117 0.000 2.403 228 F HA 0.485 5.012 4.527 -0.000 0.000 0.326 228 F C 0.822 176.699 175.800 0.128 0.000 1.081 228 F CA -0.573 57.525 58.000 0.162 0.000 1.041 228 F CB 0.733 39.881 39.000 0.246 0.000 1.234 228 F HN -0.012 nan 8.300 nan 0.000 0.503 229 D N 2.049 122.641 120.400 0.319 0.000 2.502 229 D HA -0.104 4.535 4.640 -0.000 0.000 0.249 229 D C 0.682 177.028 176.300 0.077 0.000 1.188 229 D CA 0.227 54.294 54.000 0.111 0.000 0.890 229 D CB 0.913 41.655 40.800 -0.098 0.000 1.140 229 D HN 0.511 nan 8.370 nan 0.000 0.505 230 Q N 2.942 122.768 119.800 0.043 0.000 2.230 230 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 230 Q C 1.261 177.240 176.000 -0.035 0.000 0.963 230 Q CA 0.739 56.554 55.803 0.020 0.000 0.866 230 Q CB -0.040 28.711 28.738 0.021 0.000 0.931 230 Q HN 0.640 nan 8.270 nan 0.000 0.452 231 D N 0.108 120.477 120.400 -0.052 0.000 2.117 231 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 231 D C 1.680 177.903 176.300 -0.129 0.000 0.987 231 D CA 1.117 55.070 54.000 -0.079 0.000 0.829 231 D CB 0.207 40.977 40.800 -0.051 0.000 0.961 231 D HN 0.033 nan 8.370 nan 0.000 0.460 232 M N 0.414 119.909 119.600 -0.174 0.000 2.156 232 M HA 0.057 4.537 4.480 -0.000 0.000 0.264 232 M C 2.434 178.551 176.300 -0.305 0.000 1.067 232 M CA 1.131 56.228 55.300 -0.338 0.000 1.131 232 M CB -1.420 30.736 32.600 -0.741 0.000 1.368 232 M HN 0.115 nan 8.290 nan 0.000 0.416 233 A N 1.283 123.999 122.820 -0.172 0.000 1.892 233 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 233 A C 2.003 179.524 177.584 -0.105 0.000 1.188 233 A CA 2.247 54.227 52.037 -0.095 0.000 0.631 233 A CB -0.967 18.031 19.000 -0.004 0.000 0.822 233 A HN 0.498 nan 8.150 nan 0.000 0.447 234 N N -0.177 118.460 118.700 -0.105 0.000 2.244 234 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 234 N C 1.577 177.020 175.510 -0.112 0.000 1.016 234 N CA 1.391 54.373 53.050 -0.113 0.000 0.866 234 N CB -0.279 38.149 38.487 -0.099 0.000 0.980 234 N HN 0.580 nan 8.380 nan 0.000 0.430 235 K N 0.477 120.805 120.400 -0.120 0.000 2.057 235 K HA 0.025 4.345 4.320 -0.000 0.000 0.206 235 K C 1.946 178.526 176.600 -0.034 0.000 1.050 235 K CA 0.744 56.976 56.287 -0.091 0.000 0.935 235 K CB -0.141 32.276 32.500 -0.138 0.000 0.715 235 K HN 0.178 nan 8.250 nan 0.000 0.439 236 I N 0.687 121.217 120.570 -0.066 0.000 2.163 236 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 236 I C 2.510 178.663 176.117 0.061 0.000 1.085 236 I CA 1.487 62.786 61.300 -0.000 0.000 1.347 236 I CB -0.691 37.293 38.000 -0.026 0.000 1.044 236 I HN 0.298 nan 8.210 nan 0.000 0.408 237 G N 0.120 108.897 108.800 -0.039 0.000 2.418 237 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 237 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 237 G C 1.532 176.361 174.900 -0.118 0.000 1.158 237 G CA 0.643 45.644 45.100 -0.165 0.000 0.771 237 G HN 0.390 nan 8.290 nan 0.000 0.545 238 E N -0.750 119.412 120.200 -0.063 0.000 2.110 238 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 238 E C 2.183 178.843 176.600 0.099 0.000 0.988 238 E CA 0.758 57.152 56.400 -0.010 0.000 0.804 238 E CB -0.208 29.483 29.700 -0.015 0.000 0.745 238 E HN 0.564 nan 8.360 nan 0.000 0.458 239 H N 0.344 119.455 119.070 0.069 0.000 2.326 239 H HA -0.062 4.493 4.556 -0.000 0.000 0.301 239 H C 2.042 177.505 175.328 0.226 0.000 1.081 239 H CA 1.425 57.563 56.048 0.150 0.000 1.334 239 H CB 0.043 29.857 29.762 0.087 0.000 1.385 239 H HN 0.164 nan 8.280 nan 0.000 0.504 240 M N 0.393 120.162 119.600 0.283 0.000 2.117 240 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 240 M C 2.441 178.904 176.300 0.271 0.000 1.065 240 M CA 1.835 57.307 55.300 0.286 0.000 1.114 240 M CB -0.210 32.636 32.600 0.409 0.000 1.361 240 M HN 0.309 nan 8.290 nan 0.000 0.408 241 E N 0.594 120.985 120.200 0.318 0.000 2.106 241 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 241 E C 1.650 178.306 176.600 0.093 0.000 0.984 241 E CA 1.164 57.718 56.400 0.258 0.000 0.806 241 E CB 0.115 29.932 29.700 0.195 0.000 0.750 241 E HN 0.506 nan 8.360 nan 0.000 0.458 242 E N -0.857 119.367 120.200 0.041 0.000 2.347 242 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 242 E C 0.291 176.738 176.600 -0.255 0.000 1.008 242 E CA 0.570 56.914 56.400 -0.092 0.000 0.852 242 E CB 0.085 29.723 29.700 -0.103 0.000 0.783 242 E HN 0.378 nan 8.360 nan 0.000 0.505 243 H N -1.294 117.686 119.070 -0.150 0.000 2.507 243 H HA 0.277 4.833 4.556 -0.000 0.000 0.271 243 H C 0.723 176.012 175.328 -0.065 0.000 1.224 243 H CA 0.342 56.305 56.048 -0.142 0.000 1.000 243 H CB 0.773 30.390 29.762 -0.241 0.000 1.663 243 H HN 0.248 nan 8.280 nan 0.000 0.548 244 G N 0.203 109.009 108.800 0.011 0.000 2.345 244 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 244 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 244 G C 0.382 175.278 174.900 -0.007 0.000 1.058 244 G CA -0.196 44.905 45.100 0.002 0.000 0.632 244 G HN 0.354 nan 8.290 nan 0.000 0.508 245 I N 2.524 123.094 120.570 0.000 0.000 2.598 245 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 245 I C 0.718 176.764 176.117 -0.119 0.000 1.140 245 I CA 0.252 61.492 61.300 -0.101 0.000 1.420 245 I CB 0.740 38.649 38.000 -0.152 0.000 1.387 245 I HN 0.065 nan 8.210 nan 0.000 0.553 246 K N 6.285 126.566 120.400 -0.198 0.000 2.143 246 K HA 0.510 4.830 4.320 -0.000 0.000 0.272 246 K C -1.132 175.283 176.600 -0.308 0.000 1.001 246 K CA -0.402 55.812 56.287 -0.122 0.000 0.915 246 K CB 1.221 33.681 32.500 -0.067 0.000 1.047 246 K HN 0.264 nan 8.250 nan 0.000 0.458 247 F N 2.291 122.238 119.950 -0.005 0.000 2.493 247 F HA 0.416 4.943 4.527 -0.000 0.000 0.329 247 F C 0.049 175.855 175.800 0.011 0.000 1.126 247 F CA -0.764 57.237 58.000 0.002 0.000 0.937 247 F CB 1.206 40.212 39.000 0.011 0.000 1.146 247 F HN 0.213 nan 8.300 nan 0.000 0.442 248 I N 5.352 126.024 120.570 0.171 0.000 2.354 248 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 248 I C -0.521 175.744 176.117 0.247 0.000 1.007 248 I CA -0.865 60.517 61.300 0.137 0.000 1.167 248 I CB 0.710 38.714 38.000 0.007 0.000 1.320 248 I HN 0.379 nan 8.210 nan 0.000 0.458 249 R N 5.765 126.433 120.500 0.280 0.000 2.368 249 R HA 0.374 4.714 4.340 -0.000 0.000 0.302 249 R C -0.150 176.321 176.300 0.285 0.000 1.002 249 R CA -0.636 55.609 56.100 0.242 0.000 0.929 249 R CB 1.001 31.389 30.300 0.146 0.000 1.073 249 R HN 0.596 nan 8.270 nan 0.000 0.464 250 Q N 1.034 120.925 119.800 0.152 0.000 2.464 250 Q HA -0.208 4.132 4.340 -0.000 0.000 0.304 250 Q C -1.192 174.688 176.000 -0.200 0.000 1.401 250 Q CA 0.883 56.676 55.803 -0.017 0.000 0.806 250 Q CB -1.507 27.175 28.738 -0.093 0.000 1.134 250 Q HN 0.443 nan 8.270 nan 0.000 0.411 251 F N -0.867 119.106 119.950 0.040 0.000 2.601 251 F HA 0.666 5.192 4.527 -0.000 0.000 0.309 251 F C 0.075 175.898 175.800 0.038 0.000 1.089 251 F CA -0.938 57.086 58.000 0.039 0.000 0.940 251 F CB 1.918 40.945 39.000 0.044 0.000 1.273 251 F HN -0.145 nan 8.300 nan 0.000 0.450 252 V N 2.094 122.133 119.914 0.209 0.000 2.789 252 V HA 0.536 4.656 4.120 -0.000 0.000 0.311 252 V C -2.603 173.578 176.094 0.146 0.000 1.073 252 V CA -2.375 60.008 62.300 0.138 0.000 0.921 252 V CB 2.132 34.002 31.823 0.080 0.000 1.009 252 V HN 0.444 nan 8.190 nan 0.000 0.426 253 P HA 0.428 nan 4.420 nan 0.000 0.275 253 P C 0.413 177.771 177.300 0.097 0.000 1.227 253 P CA 0.082 63.250 63.100 0.112 0.000 0.781 253 P CB 0.846 32.606 31.700 0.100 0.000 0.906 254 I N 0.079 120.704 120.570 0.092 0.000 4.181 254 I HA 0.223 4.393 4.170 -0.000 0.000 0.331 254 I C 0.688 176.848 176.117 0.070 0.000 1.312 254 I CA 0.529 61.874 61.300 0.076 0.000 1.146 254 I CB -0.354 37.688 38.000 0.069 0.000 1.074 254 I HN 0.320 nan 8.210 nan 0.000 0.402 255 K N -0.197 120.248 120.400 0.075 0.000 2.569 255 K HA 0.686 5.006 4.320 -0.000 0.000 0.259 255 K C -2.194 174.454 176.600 0.080 0.000 0.932 255 K CA -0.069 56.263 56.287 0.073 0.000 0.833 255 K CB 1.391 33.925 32.500 0.056 0.000 1.340 255 K HN 0.668 nan 8.250 nan 0.000 0.429 256 V N 2.088 122.063 119.914 0.101 0.000 2.487 256 V HA 0.869 4.988 4.120 -0.000 0.000 0.298 256 V C 0.187 176.323 176.094 0.070 0.000 1.028 256 V CA -0.104 62.257 62.300 0.101 0.000 0.860 256 V CB 1.285 33.205 31.823 0.161 0.000 0.991 256 V HN 1.065 nan 8.190 nan 0.000 0.427 257 E N 2.694 122.856 120.200 -0.063 0.000 2.317 257 E HA 0.602 4.952 4.350 -0.000 0.000 0.270 257 E C -0.729 175.625 176.600 -0.409 0.000 0.885 257 E CA -0.931 55.341 56.400 -0.214 0.000 0.760 257 E CB 1.941 31.579 29.700 -0.103 0.000 1.227 257 E HN 0.706 nan 8.360 nan 0.000 0.434 258 Q N 0.877 120.256 119.800 -0.701 0.000 2.314 258 Q HA 0.501 4.841 4.340 -0.000 0.000 0.257 258 Q C 1.108 176.945 176.000 -0.272 0.000 0.975 258 Q CA 0.507 55.963 55.803 -0.579 0.000 0.933 258 Q CB 0.798 29.096 28.738 -0.732 0.000 1.195 258 Q HN 0.935 nan 8.270 nan 0.000 0.426 259 I N 2.708 123.165 120.570 -0.188 0.000 2.333 259 I HA 0.065 4.235 4.170 -0.000 0.000 0.246 259 I C 0.803 176.861 176.117 -0.099 0.000 1.106 259 I CA 1.520 62.747 61.300 -0.122 0.000 1.411 259 I CB -0.224 37.715 38.000 -0.103 0.000 1.082 259 I HN 0.793 nan 8.210 nan 0.000 0.420 260 E N -0.264 119.876 120.200 -0.099 0.000 2.321 260 E HA 0.604 4.954 4.350 -0.000 0.000 0.281 260 E C -0.832 175.728 176.600 -0.067 0.000 0.910 260 E CA -0.164 56.193 56.400 -0.071 0.000 0.770 260 E CB 1.896 31.560 29.700 -0.060 0.000 1.225 260 E HN 0.718 nan 8.360 nan 0.000 0.417 261 A N 2.328 125.121 122.820 -0.045 0.000 2.332 261 A HA 0.839 5.159 4.320 -0.000 0.000 0.258 261 A C 0.533 178.082 177.584 -0.059 0.000 1.087 261 A CA 0.752 52.770 52.037 -0.031 0.000 0.802 261 A CB 0.794 19.795 19.000 0.001 0.000 1.042 261 A HN 0.819 nan 8.150 nan 0.000 0.489 262 G N -1.546 107.200 108.800 -0.091 0.000 2.367 262 G HA2 0.460 4.420 3.960 -0.000 0.000 0.272 262 G HA3 0.460 4.420 3.960 -0.000 0.000 0.272 262 G C -0.496 174.224 174.900 -0.299 0.000 1.271 262 G CA 0.413 45.426 45.100 -0.145 0.000 0.893 262 G HN 1.471 nan 8.290 nan 0.000 0.485 263 T N 2.163 116.499 114.554 -0.363 0.000 3.631 263 T HA 0.584 4.934 4.350 -0.000 0.000 0.256 263 T C -2.762 171.693 174.700 -0.409 0.000 1.187 263 T CA -0.535 61.138 62.100 -0.712 0.000 1.667 263 T CB 0.678 69.292 68.868 -0.424 0.000 0.804 263 T HN 0.536 nan 8.240 nan 0.000 0.639 264 P HA 0.572 nan 4.420 nan 0.000 0.282 264 P C 0.630 177.832 177.300 -0.162 0.000 1.259 264 P CA -0.156 62.783 63.100 -0.269 0.000 0.826 264 P CB 1.230 32.949 31.700 0.032 0.000 1.064 265 G N 1.596 110.319 108.800 -0.128 0.000 2.509 265 G HA2 0.448 4.408 3.960 -0.000 0.000 0.269 265 G HA3 0.448 4.408 3.960 -0.000 0.000 0.269 265 G C -0.630 174.241 174.900 -0.049 0.000 1.416 265 G CA -0.823 44.229 45.100 -0.080 0.000 1.052 265 G HN 0.472 nan 8.290 nan 0.000 0.542 266 R N -0.807 119.659 120.500 -0.057 0.000 2.480 266 R HA 0.531 4.870 4.340 -0.000 0.000 0.306 266 R C -0.985 175.268 176.300 -0.079 0.000 0.958 266 R CA -0.476 55.590 56.100 -0.056 0.000 0.861 266 R CB 1.919 32.179 30.300 -0.066 0.000 1.171 266 R HN 0.241 nan 8.270 nan 0.000 0.445 267 L N 1.849 123.038 121.223 -0.057 0.000 2.354 267 L HA 0.720 5.060 4.340 -0.000 0.000 0.269 267 L C 0.327 177.152 176.870 -0.074 0.000 1.005 267 L CA -1.164 53.629 54.840 -0.078 0.000 0.819 267 L CB 1.712 43.761 42.059 -0.017 0.000 1.311 267 L HN 0.678 nan 8.230 nan 0.000 0.423 268 R N 1.833 122.277 120.500 -0.094 0.000 2.294 268 R HA 0.708 5.048 4.340 -0.000 0.000 0.319 268 R C -0.988 175.296 176.300 -0.025 0.000 0.984 268 R CA -0.460 55.586 56.100 -0.089 0.000 0.861 268 R CB 1.264 31.509 30.300 -0.092 0.000 1.104 268 R HN 0.416 nan 8.270 nan 0.000 0.451 269 V N 3.449 123.366 119.914 0.005 0.000 2.357 269 V HA 0.417 4.536 4.120 -0.000 0.000 0.284 269 V C -0.223 175.899 176.094 0.047 0.000 1.018 269 V CA -0.945 61.405 62.300 0.082 0.000 0.841 269 V CB 1.764 33.722 31.823 0.225 0.000 0.991 269 V HN 0.673 nan 8.190 nan 0.000 0.437 270 V N 4.636 124.579 119.914 0.049 0.000 2.407 270 V HA 0.817 4.937 4.120 -0.000 0.000 0.278 270 V C 0.425 176.568 176.094 0.083 0.000 1.037 270 V CA -0.237 62.091 62.300 0.047 0.000 0.900 270 V CB 1.400 33.246 31.823 0.039 0.000 0.983 270 V HN 0.976 nan 8.190 nan 0.000 0.459 271 A N 4.073 126.955 122.820 0.103 0.000 2.401 271 A HA 0.906 5.226 4.320 -0.000 0.000 0.310 271 A C -0.228 177.529 177.584 0.287 0.000 1.075 271 A CA -0.418 51.728 52.037 0.182 0.000 0.746 271 A CB 1.754 20.867 19.000 0.187 0.000 1.277 271 A HN 1.046 nan 8.150 nan 0.000 0.425 272 Q N 0.240 120.205 119.800 0.275 0.000 2.309 272 Q HA 0.722 5.062 4.340 -0.000 0.000 0.264 272 Q C 0.231 176.263 176.000 0.053 0.000 1.008 272 Q CA -0.191 55.735 55.803 0.205 0.000 0.853 272 Q CB 1.417 30.207 28.738 0.087 0.000 1.314 272 Q HN 1.668 nan 8.270 nan 0.000 0.448 273 S N 0.341 115.897 115.700 -0.239 0.000 2.573 273 S HA 0.126 4.596 4.470 -0.000 0.000 0.277 273 S C 0.956 175.329 174.600 -0.379 0.000 1.346 273 S CA 0.592 58.307 58.200 -0.808 0.000 1.034 273 S CB 0.246 63.058 63.200 -0.647 0.000 0.879 273 S HN 0.775 nan 8.310 nan 0.000 0.528 274 T N 2.701 117.029 114.554 -0.376 0.000 3.035 274 T HA 0.005 4.355 4.350 -0.000 0.000 0.259 274 T C 1.109 175.728 174.700 -0.135 0.000 1.078 274 T CA 1.063 63.053 62.100 -0.183 0.000 1.132 274 T CB -0.271 68.516 68.868 -0.135 0.000 0.900 274 T HN 0.830 nan 8.240 nan 0.000 0.480 275 N N 0.738 119.343 118.700 -0.158 0.000 2.171 275 N HA 0.142 4.882 4.740 -0.000 0.000 0.212 275 N C 0.137 175.596 175.510 -0.086 0.000 1.184 275 N CA -0.330 52.661 53.050 -0.099 0.000 0.888 275 N CB 0.493 38.931 38.487 -0.081 0.000 1.038 275 N HN 0.335 nan 8.380 nan 0.000 0.517 276 S N -2.314 113.322 115.700 -0.107 0.000 2.776 276 S HA 0.666 5.136 4.470 -0.000 0.000 0.292 276 S C 0.328 174.895 174.600 -0.055 0.000 1.187 276 S CA -0.136 58.024 58.200 -0.066 0.000 0.834 276 S CB 0.682 63.850 63.200 -0.053 0.000 1.199 276 S HN 0.024 nan 8.310 nan 0.000 0.514 277 E N -0.610 119.578 120.200 -0.021 0.000 2.465 277 E HA 0.256 4.606 4.350 -0.000 0.000 0.191 277 E C 0.426 177.042 176.600 0.027 0.000 1.053 277 E CA 0.021 56.421 56.400 0.000 0.000 0.869 277 E CB -0.384 29.320 29.700 0.007 0.000 0.977 277 E HN 0.649 nan 8.360 nan 0.000 0.483 278 E N -0.045 120.176 120.200 0.034 0.000 2.414 278 E HA 0.260 4.610 4.350 -0.000 0.000 0.263 278 E C -0.607 176.107 176.600 0.190 0.000 1.000 278 E CA 0.022 56.486 56.400 0.107 0.000 0.914 278 E CB 0.361 30.149 29.700 0.147 0.000 0.948 278 E HN 0.413 nan 8.360 nan 0.000 0.444 279 I N 5.964 126.643 120.570 0.181 0.000 2.509 279 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 279 I C -0.009 176.189 176.117 0.134 0.000 1.020 279 I CA -0.879 60.533 61.300 0.186 0.000 1.088 279 I CB 1.579 39.640 38.000 0.101 0.000 1.267 279 I HN 0.457 nan 8.210 nan 0.000 0.430 280 I N 2.021 122.640 120.570 0.083 0.000 2.689 280 I HA 0.646 4.816 4.170 -0.000 0.000 0.299 280 I C -1.126 174.956 176.117 -0.058 0.000 1.059 280 I CA -0.581 60.681 61.300 -0.064 0.000 1.055 280 I CB 2.391 40.214 38.000 -0.295 0.000 1.243 280 I HN 0.531 nan 8.210 nan 0.000 0.425 281 E N 2.974 123.128 120.200 -0.076 0.000 2.227 281 E HA 0.763 5.113 4.350 -0.000 0.000 0.268 281 E C -0.623 175.894 176.600 -0.139 0.000 0.907 281 E CA -1.087 55.264 56.400 -0.081 0.000 0.786 281 E CB 2.591 32.250 29.700 -0.069 0.000 1.191 281 E HN 0.961 nan 8.360 nan 0.000 0.411 282 G N 0.090 108.772 108.800 -0.198 0.000 2.718 282 G HA2 0.555 4.515 3.960 -0.000 0.000 0.295 282 G HA3 0.555 4.515 3.960 -0.000 0.000 0.295 282 G C -1.427 173.117 174.900 -0.594 0.000 1.421 282 G CA -0.485 44.362 45.100 -0.422 0.000 0.902 282 G HN 0.502 nan 8.290 nan 0.000 0.501 283 E N -0.083 119.706 120.200 -0.685 0.000 2.171 283 E HA 0.777 5.127 4.350 -0.000 0.000 0.271 283 E C -1.592 174.602 176.600 -0.677 0.000 0.916 283 E CA -0.870 55.209 56.400 -0.536 0.000 0.774 283 E CB 1.630 31.167 29.700 -0.272 0.000 1.128 283 E HN 0.589 nan 8.360 nan 0.000 0.403 284 Y N 0.789 121.057 120.300 -0.052 0.000 2.605 284 Y HA 0.391 4.941 4.550 -0.000 0.000 0.343 284 Y C 1.169 177.043 175.900 -0.044 0.000 1.036 284 Y CA -1.267 56.803 58.100 -0.050 0.000 1.065 284 Y CB 2.429 40.860 38.460 -0.049 0.000 1.288 284 Y HN 0.509 nan 8.280 nan 0.000 0.481 285 N N -0.213 118.563 118.700 0.127 0.000 2.290 285 N HA 0.040 4.780 4.740 -0.000 0.000 0.179 285 N C -0.286 175.271 175.510 0.078 0.000 1.016 285 N CA 0.953 54.039 53.050 0.061 0.000 0.871 285 N CB 0.266 38.771 38.487 0.030 0.000 0.987 285 N HN 0.556 nan 8.380 nan 0.000 0.431 286 T N 0.077 114.675 114.554 0.075 0.000 2.909 286 T HA 0.529 4.878 4.350 -0.000 0.000 0.299 286 T C -0.856 173.850 174.700 0.009 0.000 1.073 286 T CA -0.559 61.574 62.100 0.055 0.000 0.999 286 T CB 2.953 71.830 68.868 0.015 0.000 1.098 286 T HN -0.353 nan 8.240 nan 0.000 0.477 287 V N 3.634 123.563 119.914 0.023 0.000 2.443 287 V HA 0.501 4.621 4.120 -0.000 0.000 0.293 287 V C -0.446 175.635 176.094 -0.021 0.000 1.021 287 V CA -0.689 61.598 62.300 -0.022 0.000 0.848 287 V CB 1.691 33.543 31.823 0.049 0.000 0.998 287 V HN 0.795 nan 8.190 nan 0.000 0.424 288 M N 5.876 125.426 119.600 -0.082 0.000 2.205 288 M HA 0.542 5.022 4.480 -0.000 0.000 0.344 288 M C -1.219 175.032 176.300 -0.082 0.000 1.085 288 M CA -0.553 54.697 55.300 -0.083 0.000 1.001 288 M CB 1.493 34.017 32.600 -0.127 0.000 1.626 288 M HN 0.502 nan 8.290 nan 0.000 0.442 289 L N 4.430 125.609 121.223 -0.073 0.000 2.259 289 L HA 0.448 4.787 4.340 -0.000 0.000 0.288 289 L C 0.210 177.007 176.870 -0.121 0.000 1.051 289 L CA -0.466 54.322 54.840 -0.085 0.000 0.824 289 L CB 1.066 43.072 42.059 -0.088 0.000 1.206 289 L HN 0.803 nan 8.230 nan 0.000 0.429 290 A N 5.208 127.970 122.820 -0.096 0.000 3.218 290 A HA 0.438 4.757 4.320 -0.000 0.000 0.321 290 A C 0.531 178.070 177.584 -0.075 0.000 1.012 290 A CA -0.379 51.600 52.037 -0.096 0.000 0.948 290 A CB -0.255 18.689 19.000 -0.093 0.000 1.050 290 A HN 0.830 nan 8.150 nan 0.000 0.492 291 I N -2.573 117.956 120.570 -0.069 0.000 3.889 291 I HA 0.630 4.800 4.170 -0.000 0.000 0.332 291 I C 0.579 176.677 176.117 -0.032 0.000 1.493 291 I CA 0.181 61.459 61.300 -0.036 0.000 1.158 291 I CB 0.086 38.077 38.000 -0.016 0.000 1.117 291 I HN 0.571 nan 8.210 nan 0.000 0.411 292 G N 1.514 110.282 108.800 -0.052 0.000 2.434 292 G HA2 0.020 3.980 3.960 -0.000 0.000 0.671 292 G HA3 0.020 3.980 3.960 -0.000 0.000 0.671 292 G C -1.130 173.750 174.900 -0.032 0.000 1.280 292 G CA -1.066 44.012 45.100 -0.036 0.000 0.975 292 G HN 0.406 nan 8.290 nan 0.000 0.510 293 R N -0.521 119.976 120.500 -0.005 0.000 2.698 293 R HA 0.681 5.021 4.340 -0.000 0.000 0.275 293 R C -0.833 175.487 176.300 0.034 0.000 1.001 293 R CA -0.251 55.857 56.100 0.013 0.000 0.896 293 R CB 1.592 31.906 30.300 0.024 0.000 1.218 293 R HN 1.076 nan 8.270 nan 0.000 0.462 294 D N 0.976 121.405 120.400 0.048 0.000 2.278 294 D HA 0.589 5.229 4.640 -0.000 0.000 0.245 294 D C -0.026 176.314 176.300 0.067 0.000 1.052 294 D CA -0.514 53.520 54.000 0.057 0.000 0.834 294 D CB 1.824 42.662 40.800 0.065 0.000 1.194 294 D HN 0.702 nan 8.370 nan 0.000 0.481 295 A N 0.444 123.299 122.820 0.059 0.000 2.498 295 A HA 0.423 4.742 4.320 -0.000 0.000 0.239 295 A C 0.755 178.382 177.584 0.072 0.000 1.068 295 A CA -0.211 51.863 52.037 0.062 0.000 0.766 295 A CB -0.044 18.985 19.000 0.047 0.000 1.003 295 A HN 0.933 nan 8.150 nan 0.000 0.497 296 C N 2.939 122.288 119.300 0.081 0.000 2.865 296 C HA 0.320 4.780 4.460 -0.000 0.000 0.545 296 C C 1.701 176.735 174.990 0.075 0.000 1.154 296 C CA 0.307 59.382 59.018 0.094 0.000 1.375 296 C CB -2.208 25.599 27.740 0.112 0.000 1.627 296 C HN 0.909 nan 8.230 nan 0.000 0.623 297 T N -3.656 110.936 114.554 0.064 0.000 3.040 297 T HA 0.148 4.498 4.350 -0.000 0.000 0.266 297 T C 1.887 176.618 174.700 0.051 0.000 1.005 297 T CA 0.513 62.643 62.100 0.050 0.000 0.906 297 T CB 0.060 68.948 68.868 0.033 0.000 1.082 297 T HN 0.503 nan 8.240 nan 0.000 0.531 298 R N 1.568 122.106 120.500 0.065 0.000 2.140 298 R HA 0.528 4.868 4.340 -0.000 0.000 0.213 298 R C 2.036 178.381 176.300 0.075 0.000 1.059 298 R CA 1.194 57.330 56.100 0.060 0.000 1.000 298 R CB -1.199 29.138 30.300 0.060 0.000 0.910 298 R HN 0.595 nan 8.270 nan 0.000 0.455 299 K N 1.270 121.736 120.400 0.109 0.000 2.981 299 K HA 0.536 4.855 4.320 -0.000 0.000 0.213 299 K C 0.728 177.420 176.600 0.154 0.000 1.154 299 K CA 0.313 56.685 56.287 0.143 0.000 1.111 299 K CB -0.730 31.883 32.500 0.188 0.000 0.975 299 K HN 0.790 nan 8.250 nan 0.000 0.462 300 I N -4.994 115.634 120.570 0.096 0.000 3.947 300 I HA 0.465 4.635 4.170 -0.000 0.000 0.327 300 I C 0.904 177.112 176.117 0.151 0.000 1.519 300 I CA 0.048 61.386 61.300 0.064 0.000 1.122 300 I CB 0.593 38.606 38.000 0.023 0.000 1.146 300 I HN 0.238 nan 8.210 nan 0.000 0.442 301 G N 2.254 111.127 108.800 0.122 0.000 2.198 301 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 301 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 301 G C 0.595 175.542 174.900 0.078 0.000 1.025 301 G CA 0.603 45.776 45.100 0.122 0.000 0.769 301 G HN 0.504 nan 8.290 nan 0.000 0.507 302 L N -0.837 120.393 121.223 0.013 0.000 2.187 302 L HA -0.091 4.248 4.340 -0.000 0.000 0.213 302 L C 2.728 179.510 176.870 -0.147 0.000 1.100 302 L CA 1.952 56.707 54.840 -0.141 0.000 0.765 302 L CB -0.341 41.653 42.059 -0.109 0.000 0.904 302 L HN 0.355 nan 8.230 nan 0.000 0.437 303 E N -0.297 119.862 120.200 -0.068 0.000 2.110 303 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 303 E C 2.176 178.741 176.600 -0.059 0.000 0.988 303 E CA 1.737 58.103 56.400 -0.056 0.000 0.804 303 E CB -0.630 29.057 29.700 -0.022 0.000 0.745 303 E HN 0.521 nan 8.360 nan 0.000 0.458 304 T N -1.905 112.624 114.554 -0.041 0.000 3.007 304 T HA -0.040 4.310 4.350 -0.000 0.000 0.270 304 T C 1.682 176.348 174.700 -0.057 0.000 1.107 304 T CA 0.966 63.055 62.100 -0.019 0.000 1.118 304 T CB 0.090 68.979 68.868 0.034 0.000 0.889 304 T HN 0.113 nan 8.240 nan 0.000 0.506 305 V N -0.489 119.328 119.914 -0.162 0.000 3.502 305 V HA 0.585 4.705 4.120 -0.000 0.000 0.288 305 V C 1.400 177.355 176.094 -0.231 0.000 1.461 305 V CA 0.661 62.820 62.300 -0.235 0.000 1.029 305 V CB -0.014 31.478 31.823 -0.552 0.000 0.843 305 V HN 0.779 nan 8.190 nan 0.000 0.438 306 G N 0.823 109.506 108.800 -0.195 0.000 2.132 306 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.234 306 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.234 306 G C 0.076 174.866 174.900 -0.184 0.000 0.989 306 G CA 0.159 45.168 45.100 -0.151 0.000 0.676 306 G HN 0.774 nan 8.290 nan 0.000 0.522 307 V N 1.267 121.031 119.914 -0.250 0.000 2.470 307 V HA 0.367 4.487 4.120 -0.000 0.000 0.276 307 V C 0.946 176.945 176.094 -0.159 0.000 1.040 307 V CA -0.212 61.944 62.300 -0.242 0.000 1.008 307 V CB 1.127 32.761 31.823 -0.315 0.000 0.990 307 V HN 0.319 nan 8.190 nan 0.000 0.477 308 K N 5.891 126.213 120.400 -0.130 0.000 2.249 308 K HA 0.613 4.933 4.320 -0.000 0.000 0.280 308 K C -0.138 176.414 176.600 -0.081 0.000 1.033 308 K CA -0.327 55.904 56.287 -0.092 0.000 0.946 308 K CB 1.445 33.897 32.500 -0.080 0.000 1.005 308 K HN 0.756 nan 8.250 nan 0.000 0.469 309 I N -1.255 119.279 120.570 -0.060 0.000 3.042 309 I HA 0.514 4.684 4.170 -0.000 0.000 0.310 309 I C -0.394 175.703 176.117 -0.034 0.000 1.117 309 I CA -1.043 60.230 61.300 -0.045 0.000 1.003 309 I CB 2.284 40.264 38.000 -0.034 0.000 1.228 309 I HN 0.465 nan 8.210 nan 0.000 0.443 310 N N 3.165 121.849 118.700 -0.027 0.000 2.405 310 N HA 0.094 4.834 4.740 -0.000 0.000 0.260 310 N C 0.771 176.275 175.510 -0.011 0.000 1.152 310 N CA 0.979 54.017 53.050 -0.020 0.000 0.948 310 N CB 1.556 40.032 38.487 -0.018 0.000 1.111 310 N HN 0.877 nan 8.380 nan 0.000 0.485 311 E N 3.806 124.000 120.200 -0.010 0.000 2.204 311 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 311 E C 1.966 178.568 176.600 0.002 0.000 0.989 311 E CA 1.928 58.326 56.400 -0.004 0.000 0.824 311 E CB -0.707 28.990 29.700 -0.005 0.000 0.756 311 E HN 0.842 nan 8.360 nan 0.000 0.477 312 K N 0.619 121.020 120.400 0.001 0.000 1.984 312 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 312 K C 2.569 179.174 176.600 0.009 0.000 1.046 312 K CA 2.249 58.539 56.287 0.005 0.000 0.934 312 K CB -1.332 31.169 32.500 0.002 0.000 0.717 312 K HN 0.677 nan 8.250 nan 0.000 0.438 313 T N -4.447 110.111 114.554 0.007 0.000 3.065 313 T HA 0.369 4.719 4.350 -0.000 0.000 0.252 313 T C 1.804 176.513 174.700 0.015 0.000 1.099 313 T CA 1.075 63.182 62.100 0.011 0.000 1.063 313 T CB 0.330 69.202 68.868 0.006 0.000 0.948 313 T HN 1.453 nan 8.240 nan 0.000 0.506 314 G N 1.575 110.382 108.800 0.011 0.000 2.205 314 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.261 314 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.261 314 G C 0.189 175.095 174.900 0.010 0.000 0.980 314 G CA 0.128 45.237 45.100 0.015 0.000 0.632 314 G HN 0.566 nan 8.290 nan 0.000 0.533 315 K N 0.255 120.657 120.400 0.003 0.000 2.168 315 K HA 0.557 4.877 4.320 -0.000 0.000 0.258 315 K C 0.578 177.169 176.600 -0.016 0.000 1.010 315 K CA -0.442 55.843 56.287 -0.003 0.000 0.929 315 K CB 0.972 33.467 32.500 -0.007 0.000 0.998 315 K HN 0.306 nan 8.250 nan 0.000 0.479 316 I N 4.085 124.642 120.570 -0.021 0.000 2.328 316 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 316 I C -2.123 173.964 176.117 -0.049 0.000 1.012 316 I CA -2.356 58.922 61.300 -0.037 0.000 1.195 316 I CB 1.555 39.535 38.000 -0.033 0.000 1.350 316 I HN 0.146 nan 8.210 nan 0.000 0.464 317 P HA 0.152 nan 4.420 nan 0.000 0.269 317 P C -0.701 176.554 177.300 -0.075 0.000 1.209 317 P CA -0.018 63.043 63.100 -0.066 0.000 0.776 317 P CB 1.180 32.843 31.700 -0.062 0.000 0.876 318 V N 1.491 121.360 119.914 -0.076 0.000 3.120 318 V HA 0.394 4.514 4.120 -0.000 0.000 0.303 318 V C -0.020 176.036 176.094 -0.065 0.000 1.238 318 V CA -0.487 61.770 62.300 -0.072 0.000 1.008 318 V CB 2.480 34.271 31.823 -0.053 0.000 1.064 318 V HN 0.739 nan 8.190 nan 0.000 0.434 319 T N 0.138 114.660 114.554 -0.053 0.000 2.766 319 T HA 0.139 4.488 4.350 -0.000 0.000 0.295 319 T C 0.939 175.637 174.700 -0.003 0.000 1.024 319 T CA 0.339 62.421 62.100 -0.030 0.000 1.018 319 T CB 0.463 69.317 68.868 -0.024 0.000 1.002 319 T HN 0.862 nan 8.240 nan 0.000 0.532 320 D N -0.994 119.412 120.400 0.011 0.000 2.403 320 D HA -0.120 4.520 4.640 -0.000 0.000 0.227 320 D C 0.953 177.306 176.300 0.088 0.000 0.995 320 D CA 0.576 54.604 54.000 0.047 0.000 0.928 320 D CB -0.119 40.708 40.800 0.045 0.000 0.887 320 D HN 0.838 nan 8.370 nan 0.000 0.529 321 E N -0.080 120.169 120.200 0.082 0.000 2.624 321 E HA 0.050 4.399 4.350 -0.000 0.000 0.210 321 E C -0.510 176.198 176.600 0.181 0.000 0.997 321 E CA -0.176 56.294 56.400 0.117 0.000 0.999 321 E CB 0.195 29.959 29.700 0.107 0.000 1.040 321 E HN -0.053 nan 8.360 nan 0.000 0.469 322 E N 0.259 120.546 120.200 0.145 0.000 2.971 322 E HA -0.266 4.083 4.350 -0.000 0.000 0.278 322 E C -0.357 176.351 176.600 0.181 0.000 1.009 322 E CA 0.718 57.218 56.400 0.167 0.000 0.862 322 E CB -1.155 28.667 29.700 0.203 0.000 1.436 322 E HN 0.334 nan 8.360 nan 0.000 0.434 323 Q N 0.834 120.642 119.800 0.012 0.000 2.256 323 Q HA 0.348 4.688 4.340 -0.000 0.000 0.254 323 Q C 0.501 176.339 176.000 -0.271 0.000 0.916 323 Q CA 0.186 55.771 55.803 -0.363 0.000 0.932 323 Q CB 0.939 29.448 28.738 -0.381 0.000 1.207 323 Q HN 0.291 nan 8.270 nan 0.000 0.426 324 T N 0.304 114.658 114.554 -0.333 0.000 2.729 324 T HA 0.072 4.422 4.350 -0.000 0.000 0.298 324 T C 1.286 175.844 174.700 -0.235 0.000 1.013 324 T CA -0.035 61.923 62.100 -0.238 0.000 0.957 324 T CB 0.371 69.097 68.868 -0.237 0.000 1.130 324 T HN 0.800 nan 8.240 nan 0.000 0.526 325 N N -0.185 118.403 118.700 -0.187 0.000 2.453 325 N HA -0.064 4.676 4.740 -0.000 0.000 0.183 325 N C 0.256 175.663 175.510 -0.170 0.000 1.041 325 N CA 0.324 53.281 53.050 -0.154 0.000 0.900 325 N CB -0.577 37.839 38.487 -0.118 0.000 0.961 325 N HN 0.385 nan 8.380 nan 0.000 0.443 326 V N 2.899 122.667 119.914 -0.243 0.000 2.348 326 V HA 0.159 4.278 4.120 -0.000 0.000 0.270 326 V C -1.325 174.583 176.094 -0.309 0.000 1.037 326 V CA -1.297 60.842 62.300 -0.267 0.000 0.872 326 V CB 1.432 33.006 31.823 -0.415 0.000 1.002 326 V HN -0.037 nan 8.190 nan 0.000 0.464 327 P HA -0.202 nan 4.420 nan 0.000 0.216 327 P C 1.249 178.476 177.300 -0.122 0.000 1.154 327 P CA 1.657 64.688 63.100 -0.115 0.000 0.865 327 P CB -0.029 31.697 31.700 0.044 0.000 0.789 328 Y N -2.034 118.211 120.300 -0.092 0.000 2.490 328 Y HA 0.336 4.886 4.550 -0.000 0.000 0.281 328 Y C 0.556 176.515 175.900 0.098 0.000 1.174 328 Y CA -0.713 57.411 58.100 0.041 0.000 1.295 328 Y CB -0.936 37.530 38.460 0.011 0.000 1.062 328 Y HN -0.170 nan 8.280 nan 0.000 0.522 329 I N 1.458 121.710 120.570 -0.530 0.000 2.354 329 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 329 I C -1.210 174.730 176.117 -0.296 0.000 0.989 329 I CA -0.901 60.197 61.300 -0.336 0.000 1.188 329 I CB 0.894 38.551 38.000 -0.572 0.000 1.342 329 I HN -0.078 nan 8.210 nan 0.000 0.457 330 Y N 4.050 124.328 120.300 -0.036 0.000 2.549 330 Y HA 0.795 5.344 4.550 -0.000 0.000 0.339 330 Y C 0.181 176.087 175.900 0.009 0.000 1.053 330 Y CA -0.920 57.171 58.100 -0.016 0.000 1.105 330 Y CB 2.055 40.520 38.460 0.007 0.000 1.258 330 Y HN 0.564 nan 8.280 nan 0.000 0.478 331 A N 2.002 124.914 122.820 0.153 0.000 2.449 331 A HA 0.850 5.169 4.320 -0.000 0.000 0.302 331 A C -1.770 175.878 177.584 0.108 0.000 1.048 331 A CA -0.598 51.501 52.037 0.103 0.000 0.708 331 A CB 1.328 20.353 19.000 0.042 0.000 1.274 331 A HN 0.648 nan 8.150 nan 0.000 0.410 332 I N 0.136 120.764 120.570 0.097 0.000 2.994 332 I HA 0.766 4.936 4.170 -0.000 0.000 0.306 332 I C 0.544 176.713 176.117 0.087 0.000 1.195 332 I CA 1.098 62.458 61.300 0.101 0.000 1.001 332 I CB 2.349 40.407 38.000 0.097 0.000 1.244 332 I HN 1.867 nan 8.210 nan 0.000 0.437 333 G N 4.087 112.948 108.800 0.102 0.000 2.512 333 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.210 333 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.210 333 G C -0.093 174.859 174.900 0.086 0.000 1.295 333 G CA 0.149 45.304 45.100 0.092 0.000 0.934 333 G HN 0.565 nan 8.290 nan 0.000 0.554 334 D N 0.265 120.714 120.400 0.081 0.000 2.218 334 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 334 D C 2.606 178.941 176.300 0.058 0.000 0.976 334 D CA 1.036 55.082 54.000 0.077 0.000 0.853 334 D CB -0.059 40.792 40.800 0.085 0.000 0.939 334 D HN 0.399 nan 8.370 nan 0.000 0.481 335 I N 0.394 120.997 120.570 0.054 0.000 2.315 335 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 335 I C 0.839 176.968 176.117 0.021 0.000 1.125 335 I CA 0.495 61.819 61.300 0.041 0.000 1.392 335 I CB -1.097 36.929 38.000 0.044 0.000 1.065 335 I HN 0.046 nan 8.210 nan 0.000 0.424 336 L N 1.086 122.318 121.223 0.015 0.000 2.456 336 L HA 0.022 4.362 4.340 -0.000 0.000 0.272 336 L C 0.919 177.765 176.870 -0.040 0.000 1.189 336 L CA 0.455 55.282 54.840 -0.021 0.000 0.846 336 L CB -0.202 41.831 42.059 -0.042 0.000 1.111 336 L HN 0.175 nan 8.230 nan 0.000 0.475 337 E N 2.582 122.748 120.200 -0.057 0.000 2.290 337 E HA 0.031 4.381 4.350 -0.000 0.000 0.277 337 E C -0.514 176.033 176.600 -0.087 0.000 1.035 337 E CA -0.321 56.045 56.400 -0.058 0.000 0.873 337 E CB 0.255 29.923 29.700 -0.053 0.000 1.029 337 E HN 0.530 nan 8.360 nan 0.000 0.419 338 D N 2.899 123.257 120.400 -0.069 0.000 2.723 338 D HA -0.166 4.473 4.640 -0.000 0.000 0.236 338 D C -0.458 175.764 176.300 -0.130 0.000 1.138 338 D CA 0.921 54.873 54.000 -0.080 0.000 0.676 338 D CB -0.326 40.429 40.800 -0.074 0.000 1.069 338 D HN 0.400 nan 8.370 nan 0.000 0.430 339 K N -1.100 119.217 120.400 -0.137 0.000 1.950 339 K HA 0.686 5.006 4.320 -0.000 0.000 0.259 339 K C 0.311 176.902 176.600 -0.015 0.000 1.013 339 K CA -0.555 55.610 56.287 -0.204 0.000 1.147 339 K CB 0.525 32.793 32.500 -0.386 0.000 2.115 339 K HN -0.088 nan 8.250 nan 0.000 0.877 340 V N 2.022 122.007 119.914 0.118 0.000 2.444 340 V HA 0.224 4.344 4.120 -0.000 0.000 0.294 340 V C -0.616 175.559 176.094 0.134 0.000 1.022 340 V CA -0.592 61.787 62.300 0.132 0.000 0.850 340 V CB 1.432 33.354 31.823 0.166 0.000 0.992 340 V HN 0.510 nan 8.190 nan 0.000 0.426 341 E N 5.825 126.090 120.200 0.109 0.000 2.122 341 E HA 0.474 4.824 4.350 -0.000 0.000 0.288 341 E C -0.951 175.730 176.600 0.136 0.000 1.260 341 E CA 0.027 56.501 56.400 0.124 0.000 1.344 341 E CB 0.337 30.116 29.700 0.131 0.000 1.337 341 E HN 0.478 nan 8.360 nan 0.000 0.484 342 L N -0.091 121.197 121.223 0.108 0.000 2.409 342 L HA 0.283 4.622 4.340 -0.000 0.000 0.262 342 L C 1.363 178.275 176.870 0.070 0.000 0.992 342 L CA -0.664 54.228 54.840 0.087 0.000 0.817 342 L CB 2.003 44.092 42.059 0.049 0.000 1.350 342 L HN 0.121 nan 8.230 nan 0.000 0.411 343 T N 1.195 115.787 114.554 0.063 0.000 2.635 343 T HA -0.082 4.267 4.350 -0.000 0.000 0.267 343 T C -1.118 173.599 174.700 0.029 0.000 1.040 343 T CA 1.933 64.061 62.100 0.047 0.000 1.156 343 T CB -0.527 68.367 68.868 0.043 0.000 0.863 343 T HN 0.487 nan 8.240 nan 0.000 0.430 344 P HA 0.034 nan 4.420 nan 0.000 0.220 344 P C 1.505 178.792 177.300 -0.021 0.000 1.148 344 P CA 0.518 63.617 63.100 -0.001 0.000 0.803 344 P CB -0.181 31.514 31.700 -0.008 0.000 0.782 345 V N 0.445 120.351 119.914 -0.014 0.000 2.323 345 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 345 V C 2.578 178.667 176.094 -0.008 0.000 1.041 345 V CA 2.087 64.361 62.300 -0.044 0.000 1.025 345 V CB -1.747 30.084 31.823 0.013 0.000 0.656 345 V HN 0.096 nan 8.190 nan 0.000 0.451 346 A N 0.176 123.021 122.820 0.041 0.000 1.892 346 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 346 A C 2.195 179.794 177.584 0.024 0.000 1.188 346 A CA 2.230 54.298 52.037 0.052 0.000 0.631 346 A CB -0.620 18.411 19.000 0.052 0.000 0.822 346 A HN 0.509 nan 8.150 nan 0.000 0.447 347 I N -1.084 119.492 120.570 0.009 0.000 2.179 347 I HA -0.289 3.880 4.170 -0.000 0.000 0.242 347 I C 2.796 178.908 176.117 -0.009 0.000 1.088 347 I CA 1.862 63.164 61.300 0.003 0.000 1.357 347 I CB -0.318 37.685 38.000 0.006 0.000 1.051 347 I HN 0.459 nan 8.210 nan 0.000 0.409 348 Q N 1.157 120.937 119.800 -0.033 0.000 2.050 348 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 348 Q C 2.196 178.167 176.000 -0.049 0.000 0.980 348 Q CA 2.272 58.042 55.803 -0.055 0.000 0.840 348 Q CB -0.255 28.419 28.738 -0.105 0.000 0.898 348 Q HN 0.496 nan 8.270 nan 0.000 0.424 349 A N -0.205 122.589 122.820 -0.044 0.000 1.933 349 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 349 A C 2.261 179.860 177.584 0.024 0.000 1.175 349 A CA 1.647 53.687 52.037 0.005 0.000 0.628 349 A CB -1.372 17.679 19.000 0.085 0.000 0.814 349 A HN 0.575 nan 8.150 nan 0.000 0.444 350 G N -1.061 107.753 108.800 0.023 0.000 2.404 350 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 350 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 350 G C 1.819 176.733 174.900 0.023 0.000 1.174 350 G CA 1.098 46.212 45.100 0.023 0.000 0.780 350 G HN 0.440 nan 8.290 nan 0.000 0.537 351 R N -0.037 120.476 120.500 0.021 0.000 2.080 351 R HA 0.071 4.411 4.340 -0.000 0.000 0.236 351 R C 2.892 179.215 176.300 0.038 0.000 1.137 351 R CA 1.566 57.687 56.100 0.035 0.000 0.943 351 R CB -1.098 29.215 30.300 0.021 0.000 0.846 351 R HN 0.520 nan 8.270 nan 0.000 0.431 352 L N 0.222 121.451 121.223 0.011 0.000 2.141 352 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 352 L C 2.509 179.369 176.870 -0.018 0.000 1.094 352 L CA 0.869 55.708 54.840 -0.001 0.000 0.763 352 L CB -0.491 41.559 42.059 -0.016 0.000 0.908 352 L HN 0.232 nan 8.230 nan 0.000 0.437 353 L N 0.392 121.600 121.223 -0.024 0.000 2.027 353 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 353 L C 2.669 179.462 176.870 -0.129 0.000 1.074 353 L CA 2.027 56.814 54.840 -0.089 0.000 0.745 353 L CB -0.860 41.143 42.059 -0.094 0.000 0.898 353 L HN 0.131 nan 8.230 nan 0.000 0.433 354 A N -1.076 121.732 122.820 -0.020 0.000 1.908 354 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 354 A C 2.223 179.850 177.584 0.071 0.000 1.181 354 A CA 2.050 54.149 52.037 0.102 0.000 0.627 354 A CB -0.607 18.526 19.000 0.222 0.000 0.818 354 A HN 0.664 nan 8.150 nan 0.000 0.445 355 Q N -1.236 118.588 119.800 0.039 0.000 2.123 355 Q HA -0.091 4.248 4.340 -0.000 0.000 0.199 355 Q C 2.363 178.280 176.000 -0.139 0.000 0.966 355 Q CA 1.287 57.062 55.803 -0.047 0.000 0.845 355 Q CB -0.072 28.678 28.738 0.020 0.000 0.907 355 Q HN 0.622 nan 8.270 nan 0.000 0.439 356 R N 0.096 120.521 120.500 -0.125 0.000 2.066 356 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 356 R C 2.140 178.303 176.300 -0.229 0.000 1.131 356 R CA 1.077 57.090 56.100 -0.144 0.000 0.955 356 R CB -0.117 30.118 30.300 -0.108 0.000 0.851 356 R HN 0.210 nan 8.270 nan 0.000 0.432 357 L N -1.310 119.689 121.223 -0.373 0.000 2.072 357 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 357 L C 1.145 177.629 176.870 -0.644 0.000 1.079 357 L CA 1.227 55.675 54.840 -0.654 0.000 0.752 357 L CB 0.002 41.373 42.059 -1.148 0.000 0.906 357 L HN 0.286 nan 8.230 nan 0.000 0.436 358 Y N -2.279 117.915 120.300 -0.176 0.000 2.527 358 Y HA 0.380 4.930 4.550 -0.000 0.000 0.247 358 Y C 1.243 176.861 175.900 -0.471 0.000 1.138 358 Y CA -0.050 57.915 58.100 -0.225 0.000 1.228 358 Y CB 0.375 38.772 38.460 -0.104 0.000 1.252 358 Y HN -0.020 nan 8.280 nan 0.000 0.531 359 A N -0.838 121.737 122.820 -0.408 0.000 2.635 359 A HA 0.576 4.896 4.320 -0.000 0.000 0.279 359 A C 1.692 179.141 177.584 -0.225 0.000 1.122 359 A CA 0.312 52.057 52.037 -0.487 0.000 0.965 359 A CB -0.482 18.035 19.000 -0.806 0.000 1.221 359 A HN 0.477 nan 8.150 nan 0.000 0.566 360 G N 0.711 109.416 108.800 -0.159 0.000 2.166 360 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 360 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 360 G C 0.607 175.460 174.900 -0.078 0.000 0.986 360 G CA 1.023 46.066 45.100 -0.096 0.000 0.683 360 G HN 1.863 nan 8.290 nan 0.000 0.527 361 S N -0.791 114.855 115.700 -0.090 0.000 2.593 361 S HA 0.585 5.054 4.470 -0.000 0.000 0.269 361 S C 1.183 175.755 174.600 -0.047 0.000 1.334 361 S CA 1.053 59.218 58.200 -0.058 0.000 1.015 361 S CB 1.699 64.869 63.200 -0.050 0.000 0.912 361 S HN 1.523 nan 8.310 nan 0.000 0.541 362 T N -0.949 113.587 114.554 -0.030 0.000 3.145 362 T HA 0.280 4.630 4.350 -0.000 0.000 0.281 362 T C -0.072 174.620 174.700 -0.013 0.000 1.003 362 T CA -0.368 61.720 62.100 -0.020 0.000 0.901 362 T CB -0.338 68.522 68.868 -0.014 0.000 1.112 362 T HN 0.422 nan 8.240 nan 0.000 0.535 363 V N 2.651 122.555 119.914 -0.016 0.000 2.508 363 V HA 0.365 4.485 4.120 -0.000 0.000 0.281 363 V C 0.236 176.326 176.094 -0.008 0.000 1.041 363 V CA -0.356 61.937 62.300 -0.012 0.000 1.016 363 V CB 0.757 32.571 31.823 -0.016 0.000 0.984 363 V HN 0.418 nan 8.190 nan 0.000 0.478 364 K N 2.795 123.195 120.400 -0.000 0.000 2.123 364 K HA 0.472 4.791 4.320 -0.000 0.000 0.248 364 K C -0.407 176.187 176.600 -0.010 0.000 0.969 364 K CA -0.591 55.705 56.287 0.015 0.000 0.882 364 K CB 1.600 34.123 32.500 0.039 0.000 1.080 364 K HN 0.705 nan 8.250 nan 0.000 0.441 365 C N 2.002 121.296 119.300 -0.010 0.000 2.576 365 C HA 0.123 4.582 4.460 -0.000 0.000 0.401 365 C C -0.183 174.707 174.990 -0.167 0.000 1.314 365 C CA -0.195 58.734 59.018 -0.149 0.000 1.855 365 C CB -0.714 26.892 27.740 -0.224 0.000 2.537 365 C HN 0.642 nan 8.230 nan 0.000 0.578 366 D N 3.804 124.080 120.400 -0.206 0.000 2.359 366 D HA 0.239 4.878 4.640 -0.000 0.000 0.230 366 D C -0.164 176.027 176.300 -0.183 0.000 1.118 366 D CA -0.121 53.819 54.000 -0.101 0.000 0.844 366 D CB 0.352 41.115 40.800 -0.061 0.000 1.059 366 D HN 0.686 nan 8.370 nan 0.000 0.493 367 Y N 0.840 121.135 120.300 -0.008 0.000 2.461 367 Y HA 0.093 4.643 4.550 -0.000 0.000 0.277 367 Y C 0.775 176.666 175.900 -0.016 0.000 1.182 367 Y CA -0.183 57.911 58.100 -0.011 0.000 1.276 367 Y CB 0.485 38.940 38.460 -0.008 0.000 1.087 367 Y HN 0.157 nan 8.280 nan 0.000 0.519 368 E N 0.674 120.930 120.200 0.093 0.000 2.249 368 E HA 0.152 4.502 4.350 -0.000 0.000 0.280 368 E C -0.103 176.508 176.600 0.017 0.000 1.016 368 E CA -0.717 55.716 56.400 0.054 0.000 0.830 368 E CB 0.530 30.257 29.700 0.046 0.000 1.081 368 E HN 0.369 nan 8.360 nan 0.000 0.395 369 N N -0.286 118.421 118.700 0.011 0.000 2.725 369 N HA -0.162 4.578 4.740 -0.000 0.000 0.251 369 N C -0.520 174.971 175.510 -0.033 0.000 1.031 369 N CA 0.496 53.540 53.050 -0.011 0.000 0.720 369 N CB -1.703 36.778 38.487 -0.010 0.000 0.930 369 N HN 0.313 nan 8.380 nan 0.000 0.543 370 V N 1.557 121.455 119.914 -0.027 0.000 2.508 370 V HA 0.247 4.366 4.120 -0.000 0.000 0.281 370 V C -1.131 174.930 176.094 -0.056 0.000 1.041 370 V CA -0.928 61.347 62.300 -0.042 0.000 1.016 370 V CB 1.011 32.820 31.823 -0.023 0.000 0.984 370 V HN 0.168 nan 8.190 nan 0.000 0.478 371 P HA 0.411 nan 4.420 nan 0.000 0.276 371 P C -0.481 176.770 177.300 -0.083 0.000 1.244 371 P CA -0.122 62.930 63.100 -0.079 0.000 0.801 371 P CB 1.319 32.967 31.700 -0.086 0.000 1.006 372 T N -2.465 112.024 114.554 -0.108 0.000 2.865 372 T HA 0.671 5.020 4.350 -0.000 0.000 0.294 372 T C -0.840 173.729 174.700 -0.218 0.000 1.119 372 T CA -0.619 61.395 62.100 -0.143 0.000 1.007 372 T CB 1.295 70.090 68.868 -0.122 0.000 1.225 372 T HN 0.322 nan 8.240 nan 0.000 0.515 373 T N 1.187 115.534 114.554 -0.344 0.000 2.991 373 T HA 0.523 4.873 4.350 -0.000 0.000 0.303 373 T C -0.744 173.438 174.700 -0.863 0.000 1.015 373 T CA -0.583 61.175 62.100 -0.570 0.000 1.007 373 T CB 1.524 70.029 68.868 -0.604 0.000 1.034 373 T HN 0.696 nan 8.240 nan 0.000 0.446 374 V N 4.039 123.574 119.914 -0.633 0.000 2.406 374 V HA 0.346 4.466 4.120 -0.000 0.000 0.272 374 V C -0.252 175.542 176.094 -0.500 0.000 1.043 374 V CA -0.441 61.565 62.300 -0.491 0.000 0.915 374 V CB 0.321 31.997 31.823 -0.245 0.000 0.988 374 V HN 0.899 nan 8.190 nan 0.000 0.466 375 F N 3.194 123.083 119.950 -0.100 0.000 2.871 375 F HA 0.183 4.710 4.527 -0.000 0.000 0.317 375 F C 1.551 177.163 175.800 -0.313 0.000 1.193 375 F CA -0.618 57.206 58.000 -0.293 0.000 1.311 375 F CB -0.269 38.474 39.000 -0.428 0.000 1.380 375 F HN 0.564 nan 8.300 nan 0.000 0.557 376 T N -2.270 112.291 114.554 0.012 0.000 2.748 376 T HA 0.078 4.428 4.350 -0.000 0.000 0.304 376 T C -1.506 173.302 174.700 0.180 0.000 1.041 376 T CA -1.472 60.685 62.100 0.095 0.000 1.033 376 T CB 0.718 69.643 68.868 0.095 0.000 0.995 376 T HN -0.031 nan 8.240 nan 0.000 0.536 377 P HA -0.044 nan 4.420 nan 0.000 0.216 377 P C 0.339 177.772 177.300 0.222 0.000 1.157 377 P CA 0.662 63.944 63.100 0.303 0.000 0.880 377 P CB -0.049 31.821 31.700 0.284 0.000 0.791 378 L N 0.358 121.580 121.223 -0.002 0.000 2.257 378 L HA 0.236 4.576 4.340 -0.000 0.000 0.290 378 L C 0.029 176.935 176.870 0.060 0.000 1.044 378 L CA -0.741 54.039 54.840 -0.099 0.000 0.810 378 L CB 0.072 41.767 42.059 -0.606 0.000 1.193 378 L HN -0.107 nan 8.230 nan 0.000 0.425 379 E N 3.721 124.027 120.200 0.175 0.000 2.383 379 E HA 0.113 4.463 4.350 -0.000 0.000 0.264 379 E C -1.465 175.251 176.600 0.192 0.000 1.050 379 E CA -0.089 56.415 56.400 0.172 0.000 0.896 379 E CB 0.900 30.753 29.700 0.255 0.000 0.982 379 E HN 0.449 nan 8.360 nan 0.000 0.424 380 Y N 0.898 121.177 120.300 -0.034 0.000 2.331 380 Y HA 0.505 5.055 4.550 -0.000 0.000 0.334 380 Y C -0.432 175.462 175.900 -0.010 0.000 0.960 380 Y CA -1.336 56.769 58.100 0.008 0.000 1.130 380 Y CB 1.396 39.850 38.460 -0.009 0.000 1.164 380 Y HN 0.499 nan 8.280 nan 0.000 0.458 381 G N 3.509 112.390 108.800 0.135 0.000 2.415 381 G HA2 0.753 4.713 3.960 -0.000 0.000 0.327 381 G HA3 0.753 4.713 3.960 -0.000 0.000 0.327 381 G C -1.668 173.208 174.900 -0.040 0.000 1.182 381 G CA -0.466 44.611 45.100 -0.038 0.000 0.924 381 G HN 0.958 nan 8.290 nan 0.000 0.470 382 A N 0.337 123.063 122.820 -0.156 0.000 2.515 382 A HA 0.765 5.085 4.320 -0.000 0.000 0.298 382 A C -1.085 176.473 177.584 -0.043 0.000 1.059 382 A CA -0.646 51.358 52.037 -0.054 0.000 0.698 382 A CB 1.747 20.685 19.000 -0.104 0.000 1.289 382 A HN 1.560 nan 8.150 nan 0.000 0.404 383 C N 1.278 120.551 119.300 -0.044 0.000 2.752 383 C HA 0.806 5.266 4.460 -0.000 0.000 0.360 383 C C 0.673 175.625 174.990 -0.064 0.000 1.081 383 C CA 1.250 60.231 59.018 -0.062 0.000 1.272 383 C CB 0.448 28.133 27.740 -0.092 0.000 1.754 383 C HN 2.892 nan 8.230 nan 0.000 0.483 384 G N 4.489 113.268 108.800 -0.034 0.000 2.499 384 G HA2 -0.105 3.854 3.960 -0.000 0.000 0.232 384 G HA3 -0.105 3.854 3.960 -0.000 0.000 0.232 384 G C -0.874 174.052 174.900 0.043 0.000 1.251 384 G CA -0.211 44.892 45.100 0.004 0.000 0.917 384 G HN 1.061 nan 8.290 nan 0.000 0.580 385 L N 1.495 122.771 121.223 0.089 0.000 2.380 385 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 385 L C 1.654 178.677 176.870 0.254 0.000 1.138 385 L CA 0.093 55.013 54.840 0.133 0.000 0.832 385 L CB 1.317 43.459 42.059 0.138 0.000 1.124 385 L HN 0.993 nan 8.230 nan 0.000 0.454 386 S N 1.035 116.878 115.700 0.237 0.000 2.584 386 S HA -0.005 4.464 4.470 -0.000 0.000 0.270 386 S C 0.975 175.679 174.600 0.174 0.000 1.346 386 S CA -0.229 58.115 58.200 0.240 0.000 1.018 386 S CB 1.108 64.384 63.200 0.127 0.000 0.899 386 S HN 0.793 nan 8.310 nan 0.000 0.542 387 E N 1.120 121.382 120.200 0.104 0.000 2.058 387 E HA -0.254 4.095 4.350 -0.000 0.000 0.194 387 E C 1.628 178.265 176.600 0.061 0.000 0.997 387 E CA 1.908 58.357 56.400 0.082 0.000 0.801 387 E CB -0.303 29.414 29.700 0.029 0.000 0.746 387 E HN 0.860 nan 8.360 nan 0.000 0.450 388 E N 0.506 120.730 120.200 0.040 0.000 2.070 388 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 388 E C 2.050 178.664 176.600 0.024 0.000 1.004 388 E CA 1.536 57.953 56.400 0.027 0.000 0.805 388 E CB -0.084 29.630 29.700 0.022 0.000 0.744 388 E HN 0.010 nan 8.360 nan 0.000 0.451 389 K N 0.215 120.632 120.400 0.030 0.000 2.155 389 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 389 K C 1.816 178.407 176.600 -0.014 0.000 1.052 389 K CA 1.046 57.333 56.287 0.001 0.000 0.948 389 K CB -0.336 32.166 32.500 0.005 0.000 0.728 389 K HN 0.169 nan 8.250 nan 0.000 0.448 390 A N -0.074 122.776 122.820 0.050 0.000 1.898 390 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 390 A C 2.222 179.862 177.584 0.093 0.000 1.181 390 A CA 1.680 53.781 52.037 0.107 0.000 0.620 390 A CB -0.660 18.459 19.000 0.199 0.000 0.819 390 A HN 0.073 nan 8.150 nan 0.000 0.442 391 V N 0.113 120.067 119.914 0.066 0.000 2.295 391 V HA -0.280 3.839 4.120 -0.000 0.000 0.246 391 V C 2.527 178.628 176.094 0.013 0.000 1.049 391 V CA 2.339 64.671 62.300 0.053 0.000 1.024 391 V CB -0.801 31.043 31.823 0.035 0.000 0.648 391 V HN 0.816 nan 8.190 nan 0.000 0.447 392 E N 0.497 120.685 120.200 -0.021 0.000 2.058 392 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 392 E C 2.291 178.826 176.600 -0.107 0.000 0.997 392 E CA 1.965 58.335 56.400 -0.050 0.000 0.801 392 E CB -0.145 29.524 29.700 -0.052 0.000 0.746 392 E HN 0.567 nan 8.360 nan 0.000 0.450 393 K N -0.997 119.274 120.400 -0.215 0.000 2.031 393 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 393 K C 1.455 177.780 176.600 -0.458 0.000 1.049 393 K CA 1.447 57.460 56.287 -0.457 0.000 0.939 393 K CB -0.004 32.008 32.500 -0.814 0.000 0.717 393 K HN 0.183 nan 8.250 nan 0.000 0.438 394 F N -0.426 119.534 119.950 0.016 0.000 2.724 394 F HA 0.301 4.828 4.527 -0.000 0.000 0.306 394 F C 0.469 176.277 175.800 0.012 0.000 1.100 394 F CA -0.019 57.990 58.000 0.015 0.000 1.255 394 F CB 1.547 40.558 39.000 0.019 0.000 1.072 394 F HN 0.141 nan 8.300 nan 0.000 0.589 395 G N 1.649 110.535 108.800 0.144 0.000 3.209 395 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 395 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 395 G C 0.350 175.301 174.900 0.085 0.000 1.065 395 G CA -0.303 44.851 45.100 0.090 0.000 0.812 395 G HN 0.101 nan 8.290 nan 0.000 0.573 396 E N 1.016 121.248 120.200 0.052 0.000 2.136 396 E HA -0.262 4.088 4.350 -0.000 0.000 0.202 396 E C 2.360 178.979 176.600 0.032 0.000 1.019 396 E CA 2.182 58.604 56.400 0.037 0.000 0.819 396 E CB 0.018 29.730 29.700 0.020 0.000 0.739 396 E HN 0.877 nan 8.360 nan 0.000 0.458 397 E N -0.412 119.806 120.200 0.030 0.000 2.338 397 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 397 E C 0.925 177.539 176.600 0.023 0.000 1.007 397 E CA 0.772 57.184 56.400 0.020 0.000 0.849 397 E CB -0.229 29.482 29.700 0.019 0.000 0.774 397 E HN 0.198 nan 8.360 nan 0.000 0.506 398 N N 0.310 119.036 118.700 0.042 0.000 2.236 398 N HA 0.146 4.886 4.740 -0.000 0.000 0.196 398 N C -0.413 175.117 175.510 0.034 0.000 1.114 398 N CA -0.035 53.036 53.050 0.036 0.000 0.859 398 N CB 0.650 39.168 38.487 0.052 0.000 0.982 398 N HN 0.126 nan 8.380 nan 0.000 0.493 399 I N 1.073 121.672 120.570 0.047 0.000 2.354 399 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 399 I C -0.106 176.017 176.117 0.010 0.000 0.989 399 I CA -0.764 60.567 61.300 0.052 0.000 1.188 399 I CB 1.692 39.743 38.000 0.085 0.000 1.342 399 I HN -0.191 nan 8.210 nan 0.000 0.457 400 E N 4.932 125.138 120.200 0.009 0.000 2.158 400 E HA 0.594 4.943 4.350 -0.000 0.000 0.271 400 E C -1.430 175.139 176.600 -0.053 0.000 0.911 400 E CA -0.428 55.931 56.400 -0.069 0.000 0.767 400 E CB 1.485 31.146 29.700 -0.065 0.000 1.120 400 E HN 0.273 nan 8.360 nan 0.000 0.405 401 V N 5.689 125.506 119.914 -0.162 0.000 2.313 401 V HA 0.305 4.424 4.120 -0.000 0.000 0.278 401 V C -0.908 175.050 176.094 -0.227 0.000 1.017 401 V CA -0.740 61.491 62.300 -0.115 0.000 0.823 401 V CB 0.114 31.851 31.823 -0.144 0.000 1.010 401 V HN 0.617 nan 8.190 nan 0.000 0.443 402 Y N 4.853 125.117 120.300 -0.060 0.000 2.308 402 Y HA 0.605 5.155 4.550 -0.000 0.000 0.329 402 Y C 0.766 176.668 175.900 0.003 0.000 1.111 402 Y CA -0.266 57.824 58.100 -0.017 0.000 1.179 402 Y CB 0.883 39.347 38.460 0.008 0.000 1.201 402 Y HN 0.823 nan 8.280 nan 0.000 0.483 403 H N -1.104 117.979 119.070 0.020 0.000 3.017 403 H HA 0.838 5.394 4.556 -0.000 0.000 0.346 403 H C -1.487 173.784 175.328 -0.095 0.000 1.286 403 H CA -1.235 54.727 56.048 -0.143 0.000 1.120 403 H CB 2.194 31.869 29.762 -0.145 0.000 1.860 403 H HN 0.503 nan 8.280 nan 0.000 0.542 404 S N 0.725 116.299 115.700 -0.210 0.000 2.556 404 S HA 0.285 4.754 4.470 -0.000 0.000 0.280 404 S C -1.852 172.708 174.600 -0.067 0.000 1.141 404 S CA -0.699 57.429 58.200 -0.119 0.000 0.883 404 S CB 0.917 64.083 63.200 -0.056 0.000 1.103 404 S HN 0.534 nan 8.310 nan 0.000 0.453 405 Y N 2.760 123.110 120.300 0.084 0.000 2.298 405 Y HA 0.643 5.192 4.550 -0.000 0.000 0.329 405 Y C 0.344 176.346 175.900 0.169 0.000 1.293 405 Y CA 0.108 58.265 58.100 0.096 0.000 1.388 405 Y CB 0.831 39.297 38.460 0.010 0.000 1.309 405 Y HN 0.663 nan 8.280 nan 0.000 0.544 406 F N -1.448 118.619 119.950 0.196 0.000 2.662 406 F HA 0.561 5.087 4.527 -0.000 0.000 0.312 406 F C -1.959 173.969 175.800 0.213 0.000 1.113 406 F CA -1.876 56.206 58.000 0.136 0.000 0.951 406 F CB 1.151 40.163 39.000 0.020 0.000 1.344 406 F HN 0.370 nan 8.300 nan 0.000 0.462 407 W N 4.120 125.499 121.300 0.132 0.000 2.453 407 W HA 0.657 5.317 4.660 -0.000 0.000 0.310 407 W C -2.939 173.573 176.519 -0.013 0.000 1.000 407 W CA -3.346 54.005 57.345 0.011 0.000 1.367 407 W CB 1.058 30.560 29.460 0.069 0.000 1.269 407 W HN 0.335 nan 8.180 nan 0.000 0.418 408 P HA -0.113 nan 4.420 nan 0.000 0.262 408 P C 1.072 178.111 177.300 -0.435 0.000 1.182 408 P CA 0.051 62.918 63.100 -0.387 0.000 0.761 408 P CB 0.713 31.841 31.700 -0.953 0.000 0.795 409 L N 4.430 125.483 121.223 -0.284 0.000 2.081 409 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 409 L C 1.701 178.472 176.870 -0.165 0.000 1.080 409 L CA 2.031 56.712 54.840 -0.265 0.000 0.754 409 L CB -0.930 41.032 42.059 -0.161 0.000 0.893 409 L HN 0.329 nan 8.230 nan 0.000 0.433 410 E N -1.562 118.608 120.200 -0.048 0.000 2.267 410 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 410 E C 1.506 178.361 176.600 0.425 0.000 0.998 410 E CA 1.383 57.907 56.400 0.208 0.000 0.830 410 E CB -0.289 29.543 29.700 0.219 0.000 0.751 410 E HN 0.583 nan 8.360 nan 0.000 0.491 411 W N 0.076 121.325 121.300 -0.085 0.000 3.197 411 W HA 0.150 4.810 4.660 -0.000 0.000 0.274 411 W C 1.952 178.379 176.519 -0.154 0.000 1.297 411 W CA 0.798 58.133 57.345 -0.017 0.000 1.662 411 W CB -0.910 28.632 29.460 0.135 0.000 1.106 411 W HN 0.138 nan 8.180 nan 0.000 0.663 412 T N -2.545 111.815 114.554 -0.324 0.000 2.812 412 T HA -0.115 4.235 4.350 -0.000 0.000 0.264 412 T C 1.848 176.483 174.700 -0.109 0.000 1.042 412 T CA 1.078 62.855 62.100 -0.539 0.000 1.140 412 T CB -0.417 67.987 68.868 -0.775 0.000 0.870 412 T HN 0.058 nan 8.240 nan 0.000 0.445 413 I N 2.005 122.485 120.570 -0.150 0.000 2.233 413 I HA -0.005 4.165 4.170 -0.000 0.000 0.243 413 I C -0.538 175.484 176.117 -0.158 0.000 1.093 413 I CA 0.886 62.036 61.300 -0.251 0.000 1.380 413 I CB -0.936 36.657 38.000 -0.679 0.000 1.067 413 I HN 0.224 nan 8.210 nan 0.000 0.413 414 P HA -0.142 nan 4.420 nan 0.000 0.221 414 P C 0.483 177.843 177.300 0.100 0.000 1.145 414 P CA 0.976 64.099 63.100 0.038 0.000 0.795 414 P CB 0.019 31.783 31.700 0.107 0.000 0.775 415 S N -0.676 115.137 115.700 0.188 0.000 3.866 415 S HA -0.145 4.325 4.470 -0.000 0.000 0.427 415 S C -0.008 174.764 174.600 0.285 0.000 0.891 415 S CA 0.327 58.703 58.200 0.294 0.000 1.275 415 S CB -1.587 61.714 63.200 0.167 0.000 0.872 415 S HN 0.514 nan 8.310 nan 0.000 0.562 416 R N 0.355 121.099 120.500 0.407 0.000 2.707 416 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 416 R C -0.990 175.549 176.300 0.397 0.000 1.011 416 R CA -0.302 55.954 56.100 0.261 0.000 0.893 416 R CB 0.611 30.973 30.300 0.103 0.000 1.233 416 R HN 0.084 nan 8.270 nan 0.000 0.464 417 D N 0.513 121.040 120.400 0.211 0.000 2.699 417 D HA -0.175 4.465 4.640 -0.000 0.000 0.239 417 D C -0.760 175.671 176.300 0.218 0.000 1.136 417 D CA 0.954 55.110 54.000 0.261 0.000 0.668 417 D CB -0.779 40.213 40.800 0.320 0.000 1.060 417 D HN 0.608 nan 8.370 nan 0.000 0.429 418 N N 1.286 119.823 118.700 -0.272 0.000 2.444 418 N HA 0.047 4.786 4.740 -0.000 0.000 0.255 418 N C 0.597 175.891 175.510 -0.361 0.000 1.255 418 N CA 0.076 52.663 53.050 -0.772 0.000 0.933 418 N CB 0.353 38.118 38.487 -1.203 0.000 1.143 418 N HN 0.087 nan 8.380 nan 0.000 0.453 419 N N 0.119 118.617 118.700 -0.337 0.000 2.714 419 N HA -0.196 4.544 4.740 -0.000 0.000 0.252 419 N C -0.240 175.084 175.510 -0.310 0.000 1.014 419 N CA 0.650 53.453 53.050 -0.410 0.000 0.735 419 N CB -0.523 37.614 38.487 -0.584 0.000 0.924 419 N HN 0.472 nan 8.380 nan 0.000 0.540 420 K N -1.508 118.899 120.400 0.013 0.000 2.412 420 K HA 0.218 4.537 4.320 -0.000 0.000 0.201 420 K C 0.867 177.567 176.600 0.167 0.000 1.275 420 K CA 0.617 56.998 56.287 0.155 0.000 0.910 420 K CB 0.205 32.852 32.500 0.246 0.000 1.346 420 K HN 0.446 nan 8.250 nan 0.000 0.490 421 C N 1.975 121.248 119.300 -0.044 0.000 2.662 421 C HA 0.522 4.982 4.460 -0.000 0.000 0.420 421 C C 0.052 174.809 174.990 -0.387 0.000 1.314 421 C CA -0.306 58.449 59.018 -0.438 0.000 1.963 421 C CB -1.218 25.767 27.740 -1.260 0.000 2.686 421 C HN 0.581 nan 8.230 nan 0.000 0.609 422 Y N 1.020 121.098 120.300 -0.370 0.000 2.479 422 Y HA 0.595 5.145 4.550 -0.000 0.000 0.338 422 Y C -0.495 175.406 175.900 0.001 0.000 1.055 422 Y CA -0.694 57.249 58.100 -0.260 0.000 1.023 422 Y CB 0.976 39.200 38.460 -0.393 0.000 1.287 422 Y HN 0.858 nan 8.280 nan 0.000 0.447 423 A N 6.307 128.816 122.820 -0.520 0.000 2.356 423 A HA 0.827 5.147 4.320 -0.000 0.000 0.310 423 A C -1.519 175.568 177.584 -0.828 0.000 1.075 423 A CA -0.804 50.855 52.037 -0.630 0.000 0.746 423 A CB 1.080 19.488 19.000 -0.985 0.000 1.221 423 A HN 0.727 nan 8.150 nan 0.000 0.443 424 K N 1.600 121.695 120.400 -0.509 0.000 2.527 424 K HA 0.771 5.091 4.320 -0.000 0.000 0.260 424 K C -1.247 175.341 176.600 -0.020 0.000 0.937 424 K CA -0.651 55.484 56.287 -0.253 0.000 0.826 424 K CB 1.726 34.085 32.500 -0.235 0.000 1.359 424 K HN 0.830 nan 8.250 nan 0.000 0.434 425 I N -0.814 119.795 120.570 0.066 0.000 2.646 425 I HA 0.573 4.742 4.170 -0.000 0.000 0.299 425 I C -1.143 175.065 176.117 0.151 0.000 1.036 425 I CA -1.435 59.925 61.300 0.100 0.000 1.074 425 I CB 1.579 39.651 38.000 0.120 0.000 1.258 425 I HN 0.485 nan 8.210 nan 0.000 0.430 426 I N 4.552 125.211 120.570 0.149 0.000 2.362 426 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 426 I C -0.630 175.569 176.117 0.136 0.000 0.994 426 I CA -0.021 61.370 61.300 0.152 0.000 1.158 426 I CB 1.386 39.492 38.000 0.177 0.000 1.315 426 I HN 0.669 nan 8.210 nan 0.000 0.451 427 C N 4.561 123.944 119.300 0.139 0.000 2.456 427 C HA 0.493 4.952 4.460 -0.000 0.000 0.325 427 C C 0.283 175.298 174.990 0.043 0.000 1.217 427 C CA -0.828 58.251 59.018 0.102 0.000 1.687 427 C CB 1.210 29.050 27.740 0.167 0.000 2.270 427 C HN 0.718 nan 8.230 nan 0.000 0.499 428 N N 1.265 119.936 118.700 -0.048 0.000 2.462 428 N HA 0.185 4.925 4.740 -0.000 0.000 0.242 428 N C 0.924 176.363 175.510 -0.118 0.000 1.010 428 N CA -0.058 52.891 53.050 -0.168 0.000 0.939 428 N CB 1.096 39.290 38.487 -0.489 0.000 1.127 428 N HN 0.700 nan 8.380 nan 0.000 0.509 429 T N 1.246 115.762 114.554 -0.062 0.000 2.915 429 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 429 T C 1.610 176.279 174.700 -0.052 0.000 1.071 429 T CA 0.915 62.997 62.100 -0.031 0.000 1.132 429 T CB 0.122 68.989 68.868 -0.003 0.000 0.878 429 T HN 0.332 nan 8.240 nan 0.000 0.479 430 K N 1.246 121.595 120.400 -0.085 0.000 2.504 430 K HA -0.006 4.314 4.320 -0.000 0.000 0.195 430 K C 0.737 177.278 176.600 -0.100 0.000 1.036 430 K CA 0.708 56.948 56.287 -0.078 0.000 0.984 430 K CB -0.235 32.225 32.500 -0.066 0.000 0.788 430 K HN 0.510 nan 8.250 nan 0.000 0.488 431 D N -0.169 120.151 120.400 -0.132 0.000 2.879 431 D HA 0.173 4.812 4.640 -0.000 0.000 0.351 431 D C -0.882 175.370 176.300 -0.081 0.000 1.239 431 D CA -0.397 53.532 54.000 -0.119 0.000 0.771 431 D CB -1.060 39.624 40.800 -0.193 0.000 1.176 431 D HN 0.220 nan 8.370 nan 0.000 0.496 432 N N 1.697 120.366 118.700 -0.050 0.000 2.725 432 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 432 N C -0.616 174.880 175.510 -0.023 0.000 1.103 432 N CA 0.889 53.922 53.050 -0.030 0.000 0.707 432 N CB -1.093 37.378 38.487 -0.027 0.000 1.043 432 N HN 0.504 nan 8.380 nan 0.000 0.553 433 E N -1.852 118.335 120.200 -0.021 0.000 2.360 433 E HA -0.317 4.033 4.350 -0.000 0.000 0.238 433 E C 0.090 176.683 176.600 -0.011 0.000 1.186 433 E CA 0.502 56.903 56.400 0.002 0.000 0.719 433 E CB -0.474 29.247 29.700 0.035 0.000 1.236 433 E HN 0.434 nan 8.360 nan 0.000 0.386 434 R N 0.109 120.584 120.500 -0.041 0.000 2.585 434 R HA 0.065 4.404 4.340 -0.000 0.000 0.275 434 R C -0.423 175.873 176.300 -0.006 0.000 1.018 434 R CA 0.201 56.281 56.100 -0.035 0.000 1.072 434 R CB 0.693 30.953 30.300 -0.067 0.000 0.953 434 R HN 0.026 nan 8.270 nan 0.000 0.419 435 V N 7.631 127.555 119.914 0.017 0.000 2.352 435 V HA -0.004 4.116 4.120 -0.000 0.000 0.253 435 V C 1.137 177.263 176.094 0.053 0.000 1.083 435 V CA 0.320 62.649 62.300 0.048 0.000 0.993 435 V CB 0.582 32.443 31.823 0.064 0.000 1.111 435 V HN 0.811 nan 8.190 nan 0.000 0.490 436 V N 2.228 122.185 119.914 0.072 0.000 3.506 436 V HA 0.520 4.640 4.120 -0.000 0.000 0.263 436 V C 0.847 177.003 176.094 0.103 0.000 1.203 436 V CA 0.854 63.217 62.300 0.104 0.000 1.133 436 V CB -0.047 31.888 31.823 0.186 0.000 0.802 436 V HN 0.705 nan 8.190 nan 0.000 0.459 437 G N -0.370 108.484 108.800 0.089 0.000 2.731 437 G HA2 0.599 4.559 3.960 -0.000 0.000 0.298 437 G HA3 0.599 4.559 3.960 -0.000 0.000 0.298 437 G C -1.962 172.911 174.900 -0.044 0.000 1.424 437 G CA -0.558 44.559 45.100 0.028 0.000 1.029 437 G HN 0.175 nan 8.290 nan 0.000 0.518 438 F N 1.913 121.590 119.950 -0.454 0.000 2.539 438 F HA 0.722 5.249 4.527 -0.000 0.000 0.318 438 F C -0.905 174.523 175.800 -0.619 0.000 1.135 438 F CA -0.699 57.044 58.000 -0.428 0.000 0.915 438 F CB 1.973 40.745 39.000 -0.380 0.000 1.176 438 F HN 0.558 nan 8.300 nan 0.000 0.440 439 H N 3.910 122.763 119.070 -0.362 0.000 2.877 439 H HA 0.660 5.216 4.556 -0.000 0.000 0.347 439 H C -1.499 173.795 175.328 -0.056 0.000 1.042 439 H CA -0.947 55.105 56.048 0.006 0.000 1.276 439 H CB 2.200 32.073 29.762 0.184 0.000 1.681 439 H HN 0.526 nan 8.280 nan 0.000 0.521 440 V N 4.329 124.428 119.914 0.308 0.000 2.686 440 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 440 V C -1.636 174.695 176.094 0.395 0.000 1.065 440 V CA -0.789 61.704 62.300 0.322 0.000 0.894 440 V CB 1.772 33.833 31.823 0.396 0.000 1.004 440 V HN 0.604 nan 8.190 nan 0.000 0.424 441 L N 7.226 128.622 121.223 0.288 0.000 2.294 441 L HA 1.041 5.381 4.340 -0.000 0.000 0.283 441 L C 0.055 177.038 176.870 0.187 0.000 1.015 441 L CA 1.113 56.077 54.840 0.206 0.000 0.831 441 L CB 0.954 43.065 42.059 0.087 0.000 1.217 441 L HN 1.031 nan 8.230 nan 0.000 0.420 442 G N 4.295 113.229 108.800 0.224 0.000 2.320 442 G HA2 0.299 4.259 3.960 -0.000 0.000 0.296 442 G HA3 0.299 4.259 3.960 -0.000 0.000 0.296 442 G C -3.397 171.660 174.900 0.262 0.000 1.306 442 G CA -0.712 44.517 45.100 0.214 0.000 0.836 442 G HN 0.382 nan 8.290 nan 0.000 0.517 443 P HA 0.154 nan 4.420 nan 0.000 0.271 443 P C -0.170 177.276 177.300 0.243 0.000 1.218 443 P CA 0.167 63.436 63.100 0.281 0.000 0.780 443 P CB 0.408 32.261 31.700 0.255 0.000 0.901 444 N N 0.240 119.094 118.700 0.257 0.000 2.727 444 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 444 N C 1.130 176.778 175.510 0.230 0.000 1.048 444 N CA 0.906 54.093 53.050 0.229 0.000 0.714 444 N CB -1.575 37.011 38.487 0.163 0.000 0.959 444 N HN 0.596 nan 8.380 nan 0.000 0.544 445 A N 0.179 123.151 122.820 0.253 0.000 1.940 445 A HA -0.036 4.283 4.320 -0.000 0.000 0.219 445 A C 2.294 179.991 177.584 0.188 0.000 1.176 445 A CA 2.200 54.377 52.037 0.234 0.000 0.631 445 A CB -0.747 18.382 19.000 0.215 0.000 0.814 445 A HN 0.544 nan 8.150 nan 0.000 0.446 446 G N -0.492 108.418 108.800 0.184 0.000 2.402 446 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 446 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 446 G C 1.357 176.331 174.900 0.123 0.000 1.162 446 G CA 0.891 46.081 45.100 0.149 0.000 0.777 446 G HN 0.521 nan 8.290 nan 0.000 0.539 447 E N 0.563 120.846 120.200 0.138 0.000 2.110 447 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 447 E C 2.824 179.475 176.600 0.086 0.000 0.988 447 E CA 0.821 57.275 56.400 0.091 0.000 0.804 447 E CB -0.463 29.289 29.700 0.088 0.000 0.745 447 E HN 0.364 nan 8.360 nan 0.000 0.458 448 V N 1.246 121.245 119.914 0.142 0.000 2.379 448 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 448 V C 2.308 178.519 176.094 0.196 0.000 1.044 448 V CA 1.983 64.404 62.300 0.202 0.000 1.036 448 V CB -0.777 31.218 31.823 0.286 0.000 0.664 448 V HN 0.242 nan 8.190 nan 0.000 0.453 449 T N -0.758 113.876 114.554 0.133 0.000 2.951 449 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 449 T C 1.878 176.504 174.700 -0.123 0.000 1.073 449 T CA 1.390 63.484 62.100 -0.011 0.000 1.134 449 T CB -0.149 68.754 68.868 0.057 0.000 0.884 449 T HN 0.426 nan 8.240 nan 0.000 0.479 450 Q N 1.558 121.318 119.800 -0.068 0.000 2.014 450 Q HA -0.081 4.258 4.340 -0.000 0.000 0.207 450 Q C 2.435 178.333 176.000 -0.170 0.000 0.993 450 Q CA 2.352 58.096 55.803 -0.099 0.000 0.850 450 Q CB -1.086 27.614 28.738 -0.063 0.000 0.916 450 Q HN 0.481 nan 8.270 nan 0.000 0.417 451 G N -1.234 107.433 108.800 -0.221 0.000 2.422 451 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 451 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 451 G C 1.055 175.673 174.900 -0.471 0.000 1.146 451 G CA 0.733 45.630 45.100 -0.339 0.000 0.769 451 G HN 0.398 nan 8.290 nan 0.000 0.547 452 F N 1.748 121.424 119.950 -0.456 0.000 2.293 452 F HA 0.100 4.627 4.527 -0.000 0.000 0.300 452 F C 2.946 178.437 175.800 -0.516 0.000 1.086 452 F CA 0.647 58.263 58.000 -0.641 0.000 1.375 452 F CB -0.253 37.919 39.000 -1.380 0.000 1.045 452 F HN 0.235 nan 8.300 nan 0.000 0.516 453 A N 0.124 122.777 122.820 -0.277 0.000 1.902 453 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 453 A C 2.447 179.939 177.584 -0.152 0.000 1.181 453 A CA 1.773 53.694 52.037 -0.194 0.000 0.623 453 A CB -1.227 17.679 19.000 -0.156 0.000 0.818 453 A HN 0.300 nan 8.150 nan 0.000 0.443 454 A N -0.221 122.498 122.820 -0.167 0.000 1.930 454 A HA 0.199 4.519 4.320 -0.000 0.000 0.217 454 A C 2.483 179.987 177.584 -0.133 0.000 1.175 454 A CA 1.924 53.877 52.037 -0.141 0.000 0.627 454 A CB -0.952 17.956 19.000 -0.152 0.000 0.815 454 A HN 1.056 nan 8.150 nan 0.000 0.443 455 A N -0.189 122.532 122.820 -0.165 0.000 1.933 455 A HA -0.033 4.286 4.320 -0.000 0.000 0.218 455 A C 2.098 179.639 177.584 -0.072 0.000 1.175 455 A CA 1.438 53.401 52.037 -0.123 0.000 0.628 455 A CB -0.496 18.426 19.000 -0.130 0.000 0.814 455 A HN 0.454 nan 8.150 nan 0.000 0.444 456 L N -0.800 120.379 121.223 -0.074 0.000 2.093 456 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 456 L C 2.366 179.212 176.870 -0.040 0.000 1.085 456 L CA 1.280 56.093 54.840 -0.045 0.000 0.755 456 L CB -0.737 41.293 42.059 -0.048 0.000 0.904 456 L HN 0.345 nan 8.230 nan 0.000 0.435 457 K N -0.009 120.358 120.400 -0.055 0.000 2.211 457 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 457 K C 1.821 178.397 176.600 -0.039 0.000 1.047 457 K CA 1.156 57.416 56.287 -0.045 0.000 0.935 457 K CB -0.298 32.169 32.500 -0.056 0.000 0.728 457 K HN 0.422 nan 8.250 nan 0.000 0.452 458 C N 0.276 119.548 119.300 -0.046 0.000 2.673 458 C HA 0.223 4.683 4.460 -0.000 0.000 0.274 458 C C 1.179 176.151 174.990 -0.030 0.000 1.276 458 C CA -0.009 58.985 59.018 -0.040 0.000 1.701 458 C CB -0.983 26.727 27.740 -0.050 0.000 1.836 458 C HN 0.649 nan 8.230 nan 0.000 0.596 459 G N 1.388 110.173 108.800 -0.024 0.000 2.256 459 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.272 459 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.272 459 G C -0.105 174.786 174.900 -0.015 0.000 1.076 459 G CA 0.112 45.202 45.100 -0.016 0.000 0.882 459 G HN 0.524 nan 8.290 nan 0.000 0.497 460 L N 0.793 122.008 121.223 -0.013 0.000 2.559 460 L HA 0.573 4.913 4.340 -0.000 0.000 0.282 460 L C 0.652 177.524 176.870 0.002 0.000 1.232 460 L CA 1.253 56.091 54.840 -0.003 0.000 0.885 460 L CB 0.717 42.784 42.059 0.014 0.000 1.131 460 L HN 0.256 nan 8.230 nan 0.000 0.498 461 T N 3.087 117.641 114.554 -0.001 0.000 2.912 461 T HA 0.290 4.640 4.350 -0.000 0.000 0.288 461 T C 0.736 175.428 174.700 -0.013 0.000 1.030 461 T CA -0.502 61.593 62.100 -0.009 0.000 1.020 461 T CB 1.739 70.598 68.868 -0.014 0.000 1.056 461 T HN 0.761 nan 8.240 nan 0.000 0.480 462 K N 1.937 122.318 120.400 -0.032 0.000 2.063 462 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 462 K C 2.353 178.912 176.600 -0.068 0.000 1.048 462 K CA 1.994 58.232 56.287 -0.082 0.000 0.928 462 K CB -0.482 31.937 32.500 -0.135 0.000 0.713 462 K HN 0.281 nan 8.250 nan 0.000 0.442 463 K N 0.413 120.788 120.400 -0.042 0.000 2.074 463 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 463 K C 2.284 178.873 176.600 -0.018 0.000 1.048 463 K CA 2.075 58.346 56.287 -0.027 0.000 0.926 463 K CB -0.400 32.091 32.500 -0.016 0.000 0.713 463 K HN 0.612 nan 8.250 nan 0.000 0.444 464 Q N -0.682 119.110 119.800 -0.013 0.000 2.079 464 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 464 Q C 2.237 178.242 176.000 0.009 0.000 0.974 464 Q CA 1.685 57.485 55.803 -0.005 0.000 0.840 464 Q CB -0.254 28.480 28.738 -0.007 0.000 0.898 464 Q HN 0.320 nan 8.270 nan 0.000 0.430 465 L N 1.332 122.567 121.223 0.019 0.000 2.017 465 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 465 L C 1.329 178.223 176.870 0.040 0.000 1.073 465 L CA 1.952 56.828 54.840 0.060 0.000 0.745 465 L CB -0.455 41.653 42.059 0.081 0.000 0.894 465 L HN 0.085 nan 8.230 nan 0.000 0.432 466 D N -0.919 119.479 120.400 -0.005 0.000 2.221 466 D HA -0.159 4.480 4.640 -0.000 0.000 0.204 466 D C 2.406 178.709 176.300 0.004 0.000 0.982 466 D CA 1.391 55.384 54.000 -0.011 0.000 0.857 466 D CB -0.115 40.662 40.800 -0.039 0.000 0.934 466 D HN 0.585 nan 8.370 nan 0.000 0.475 467 S N -0.951 114.751 115.700 0.004 0.000 2.470 467 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 467 S C 1.029 175.634 174.600 0.008 0.000 1.006 467 S CA 0.075 58.277 58.200 0.003 0.000 0.934 467 S CB -0.268 62.931 63.200 -0.002 0.000 0.778 467 S HN -0.036 nan 8.310 nan 0.000 0.517 468 T N 4.578 119.143 114.554 0.018 0.000 2.888 468 T HA 0.321 4.670 4.350 -0.000 0.000 0.301 468 T C 0.060 174.779 174.700 0.032 0.000 1.001 468 T CA -0.201 61.911 62.100 0.021 0.000 1.147 468 T CB 0.261 69.151 68.868 0.037 0.000 0.931 468 T HN 0.178 nan 8.240 nan 0.000 0.541 469 I N 2.834 123.417 120.570 0.021 0.000 2.472 469 I HA 0.317 4.487 4.170 -0.000 0.000 0.290 469 I C 1.330 177.472 176.117 0.041 0.000 1.016 469 I CA -0.529 60.787 61.300 0.027 0.000 1.348 469 I CB 0.593 38.601 38.000 0.014 0.000 1.417 469 I HN 0.690 nan 8.210 nan 0.000 0.521 470 G N 6.034 114.868 108.800 0.056 0.000 2.606 470 G HA2 0.468 4.428 3.960 -0.000 0.000 0.252 470 G HA3 0.468 4.428 3.960 -0.000 0.000 0.252 470 G C -0.168 174.773 174.900 0.069 0.000 1.206 470 G CA -0.551 44.594 45.100 0.076 0.000 0.861 470 G HN 0.530 nan 8.290 nan 0.000 0.561 471 I N 0.222 120.834 120.570 0.071 0.000 2.336 471 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 471 I C -0.248 175.928 176.117 0.098 0.000 0.991 471 I CA -0.592 60.748 61.300 0.067 0.000 1.227 471 I CB 1.555 39.575 38.000 0.034 0.000 1.366 471 I HN 0.520 nan 8.210 nan 0.000 0.466 472 H N 6.952 126.025 119.070 0.004 0.000 2.495 472 H HA 0.548 5.103 4.556 -0.000 0.000 0.348 472 H C -2.437 172.892 175.328 0.002 0.000 1.113 472 H CA -1.639 54.411 56.048 0.003 0.000 1.195 472 H CB 1.743 31.508 29.762 0.005 0.000 1.521 472 H HN 0.331 nan 8.280 nan 0.000 0.509 473 P HA 0.297 nan 4.420 nan 0.000 0.294 473 P C -1.409 175.743 177.300 -0.247 0.000 1.389 473 P CA -0.482 62.254 63.100 -0.606 0.000 0.875 473 P CB 1.086 32.400 31.700 -0.644 0.000 1.018 474 V N 2.683 122.496 119.914 -0.169 0.000 2.841 474 V HA 0.081 4.201 4.120 -0.000 0.000 0.310 474 V C 1.250 177.283 176.094 -0.101 0.000 1.090 474 V CA -0.515 61.731 62.300 -0.091 0.000 0.930 474 V CB 1.940 33.742 31.823 -0.036 0.000 1.014 474 V HN 0.633 nan 8.190 nan 0.000 0.425 475 C N 2.692 121.932 119.300 -0.099 0.000 2.398 475 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 475 C C 2.791 177.600 174.990 -0.302 0.000 1.222 475 C CA 1.702 60.596 59.018 -0.208 0.000 1.746 475 C CB -0.994 26.694 27.740 -0.087 0.000 2.039 475 C HN 1.046 nan 8.230 nan 0.000 0.470 476 A N 0.996 123.775 122.820 -0.067 0.000 2.131 476 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 476 A C 2.049 179.720 177.584 0.145 0.000 1.158 476 A CA 1.845 53.953 52.037 0.120 0.000 0.665 476 A CB -0.756 18.391 19.000 0.245 0.000 0.795 476 A HN 0.874 nan 8.150 nan 0.000 0.460 477 E N -0.127 120.089 120.200 0.026 0.000 2.338 477 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 477 E C 1.526 178.122 176.600 -0.006 0.000 1.007 477 E CA 1.045 57.479 56.400 0.057 0.000 0.849 477 E CB -0.504 29.229 29.700 0.055 0.000 0.774 477 E HN 0.304 nan 8.360 nan 0.000 0.506 478 V N 0.315 120.117 119.914 -0.186 0.000 2.469 478 V HA -0.231 3.888 4.120 -0.000 0.000 0.251 478 V C 1.496 177.415 176.094 -0.291 0.000 1.064 478 V CA 1.586 63.705 62.300 -0.303 0.000 1.066 478 V CB -0.629 30.835 31.823 -0.599 0.000 0.667 478 V HN 0.332 nan 8.190 nan 0.000 0.461 479 F N 0.493 120.363 119.950 -0.134 0.000 2.604 479 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 479 F C 2.383 178.170 175.800 -0.022 0.000 1.131 479 F CA 1.580 59.507 58.000 -0.120 0.000 1.457 479 F CB -0.753 38.113 39.000 -0.223 0.000 1.095 479 F HN 0.123 nan 8.300 nan 0.000 0.574 480 T N -1.509 113.139 114.554 0.156 0.000 2.985 480 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 480 T C 1.597 176.326 174.700 0.047 0.000 1.076 480 T CA 1.786 63.954 62.100 0.115 0.000 1.135 480 T CB -0.264 68.663 68.868 0.098 0.000 0.890 480 T HN 0.325 nan 8.240 nan 0.000 0.480 481 T N -0.467 114.097 114.554 0.017 0.000 3.460 481 T HA 0.427 4.777 4.350 -0.000 0.000 0.304 481 T C 0.082 174.781 174.700 -0.001 0.000 0.991 481 T CA -0.459 61.644 62.100 0.006 0.000 0.975 481 T CB -0.709 68.169 68.868 0.017 0.000 1.196 481 T HN 0.106 nan 8.240 nan 0.000 0.490 482 L N 2.828 124.036 121.223 -0.025 0.000 2.500 482 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 482 L C 1.245 178.170 176.870 0.091 0.000 1.149 482 L CA -0.141 54.707 54.840 0.013 0.000 0.897 482 L CB 0.582 42.632 42.059 -0.015 0.000 1.178 482 L HN 0.479 nan 8.230 nan 0.000 0.473 483 S N 0.767 116.581 115.700 0.190 0.000 2.628 483 S HA 0.177 4.647 4.470 -0.000 0.000 0.246 483 S C 0.249 175.023 174.600 0.289 0.000 1.062 483 S CA -0.430 57.921 58.200 0.253 0.000 1.028 483 S CB 0.497 63.776 63.200 0.132 0.000 0.985 483 S HN 0.225 nan 8.310 nan 0.000 0.551 484 V N 4.224 124.281 119.914 0.238 0.000 2.370 484 V HA 0.531 4.650 4.120 -0.000 0.000 0.279 484 V C 0.444 176.601 176.094 0.105 0.000 1.029 484 V CA -0.353 62.039 62.300 0.153 0.000 0.870 484 V CB 1.006 32.916 31.823 0.145 0.000 0.984 484 V HN 0.604 nan 8.190 nan 0.000 0.451 485 T N 1.723 116.222 114.554 -0.091 0.000 2.928 485 T HA 0.395 4.744 4.350 -0.000 0.000 0.284 485 T C 0.931 175.539 174.700 -0.154 0.000 1.008 485 T CA -0.781 61.145 62.100 -0.290 0.000 1.057 485 T CB 1.636 70.239 68.868 -0.441 0.000 1.018 485 T HN 0.539 nan 8.240 nan 0.000 0.493 486 K N 0.553 120.765 120.400 -0.314 0.000 2.032 486 K HA -0.160 4.159 4.320 -0.000 0.000 0.209 486 K C 2.451 178.992 176.600 -0.097 0.000 1.048 486 K CA 1.460 57.611 56.287 -0.226 0.000 0.927 486 K CB -0.202 32.118 32.500 -0.300 0.000 0.712 486 K HN 0.658 nan 8.250 nan 0.000 0.441 487 R N 1.418 121.845 120.500 -0.122 0.000 2.105 487 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 487 R C 2.275 178.546 176.300 -0.049 0.000 1.135 487 R CA 2.108 58.162 56.100 -0.077 0.000 0.967 487 R CB -0.286 29.961 30.300 -0.087 0.000 0.861 487 R HN 0.236 nan 8.270 nan 0.000 0.442 488 S N -1.163 114.506 115.700 -0.052 0.000 2.419 488 S HA 0.002 4.472 4.470 -0.000 0.000 0.233 488 S C 1.695 176.298 174.600 0.005 0.000 1.016 488 S CA 0.989 59.177 58.200 -0.021 0.000 0.974 488 S CB -0.378 62.813 63.200 -0.015 0.000 0.786 488 S HN 0.705 nan 8.310 nan 0.000 0.492 489 G N 1.022 109.833 108.800 0.018 0.000 2.212 489 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.266 489 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.266 489 G C 0.339 175.269 174.900 0.051 0.000 0.978 489 G CA 0.274 45.395 45.100 0.035 0.000 0.632 489 G HN 1.441 nan 8.290 nan 0.000 0.537 490 A N 0.118 122.971 122.820 0.055 0.000 2.483 490 A HA 0.647 4.967 4.320 -0.000 0.000 0.238 490 A C 0.993 178.618 177.584 0.069 0.000 1.070 490 A CA 1.232 53.302 52.037 0.054 0.000 0.770 490 A CB 0.496 19.527 19.000 0.052 0.000 1.008 490 A HN 1.712 nan 8.150 nan 0.000 0.497 491 S N -0.037 115.692 115.700 0.048 0.000 2.592 491 S HA 0.408 4.878 4.470 -0.000 0.000 0.271 491 S C 0.551 175.177 174.600 0.042 0.000 1.326 491 S CA 0.116 58.341 58.200 0.042 0.000 1.024 491 S CB -0.030 63.183 63.200 0.022 0.000 0.921 491 S HN 0.965 nan 8.310 nan 0.000 0.527 492 I N 1.679 122.276 120.570 0.046 0.000 3.817 492 I HA 0.379 4.549 4.170 -0.000 0.000 0.325 492 I C -0.285 175.908 176.117 0.127 0.000 1.550 492 I CA -0.537 60.803 61.300 0.067 0.000 1.100 492 I CB -0.110 37.873 38.000 -0.028 0.000 1.216 492 I HN 0.341 nan 8.210 nan 0.000 0.481 493 L N 0.000 121.246 121.223 0.038 0.000 2.949 493 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 493 L CA 0.000 54.809 54.840 -0.051 0.000 0.813 493 L CB 0.000 42.001 42.059 -0.097 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502