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 2j3n_1_A 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 ASILQAG 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 0.000 174.465 174.600 -0.225 0.000 1.055 10 S CA 0.000 58.062 58.200 -0.230 0.000 1.107 10 S CB 0.000 63.000 63.200 -0.334 0.000 0.593 11 Y N 3.133 123.448 120.300 0.025 0.000 2.374 11 Y HA 0.433 4.983 4.550 -0.000 0.000 0.322 11 Y C 1.391 177.290 175.900 -0.001 0.000 1.275 11 Y CA -0.661 57.472 58.100 0.055 0.000 1.307 11 Y CB 0.310 38.843 38.460 0.122 0.000 1.282 11 Y HN 0.278 nan 8.280 nan 0.000 0.509 12 D N -0.125 120.374 120.400 0.165 0.000 2.123 12 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 12 D C -0.472 175.595 176.300 -0.388 0.000 0.976 12 D CA 1.853 55.771 54.000 -0.136 0.000 0.831 12 D CB 0.070 40.797 40.800 -0.122 0.000 0.974 12 D HN 0.343 nan 8.370 nan 0.000 0.469 13 Y N -0.210 120.164 120.300 0.123 0.000 2.609 13 Y HA 0.202 4.752 4.550 -0.000 0.000 0.342 13 Y C 0.944 176.853 175.900 0.014 0.000 1.058 13 Y CA -1.154 56.963 58.100 0.029 0.000 1.055 13 Y CB 1.337 39.761 38.460 -0.060 0.000 1.292 13 Y HN -0.336 nan 8.280 nan 0.000 0.476 14 D N 0.438 120.948 120.400 0.184 0.000 2.194 14 D HA 0.014 4.654 4.640 -0.000 0.000 0.204 14 D C -0.422 175.902 176.300 0.040 0.000 0.964 14 D CA 1.468 55.521 54.000 0.089 0.000 0.846 14 D CB 0.574 41.366 40.800 -0.014 0.000 0.962 14 D HN 0.252 nan 8.370 nan 0.000 0.490 15 L N 0.509 121.717 121.223 -0.027 0.000 2.614 15 L HA 0.371 4.711 4.340 -0.000 0.000 0.264 15 L C -1.766 174.956 176.870 -0.247 0.000 0.940 15 L CA -0.354 54.420 54.840 -0.111 0.000 0.903 15 L CB 1.940 44.001 42.059 0.003 0.000 1.306 15 L HN -0.246 nan 8.230 nan 0.000 0.410 16 I N 5.962 126.262 120.570 -0.449 0.000 2.354 16 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 16 I C -0.489 175.484 176.117 -0.240 0.000 0.989 16 I CA -0.480 60.564 61.300 -0.427 0.000 1.188 16 I CB 1.604 39.265 38.000 -0.566 0.000 1.342 16 I HN 0.518 nan 8.210 nan 0.000 0.457 17 I N 7.186 127.664 120.570 -0.153 0.000 2.354 17 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 17 I C -0.226 175.864 176.117 -0.045 0.000 0.989 17 I CA -0.543 60.722 61.300 -0.058 0.000 1.188 17 I CB 1.519 39.489 38.000 -0.051 0.000 1.342 17 I HN 0.367 nan 8.210 nan 0.000 0.457 18 I N 5.841 126.402 120.570 -0.015 0.000 2.297 18 I HA 0.532 4.702 4.170 -0.000 0.000 0.291 18 I C 0.500 176.598 176.117 -0.032 0.000 1.033 18 I CA -0.172 61.099 61.300 -0.048 0.000 1.253 18 I CB 0.985 38.931 38.000 -0.090 0.000 1.396 18 I HN 0.832 nan 8.210 nan 0.000 0.476 19 G N 3.716 112.500 108.800 -0.027 0.000 3.367 19 G HA2 0.005 3.965 3.960 -0.000 0.000 0.686 19 G HA3 0.005 3.965 3.960 -0.000 0.000 0.686 19 G C -0.070 174.825 174.900 -0.007 0.000 1.146 19 G CA -0.534 44.562 45.100 -0.008 0.000 0.913 19 G HN 0.990 nan 8.290 nan 0.000 0.554 20 G N 0.877 109.674 108.800 -0.004 0.000 4.294 20 G HA2 0.687 4.647 3.960 -0.000 0.000 0.301 20 G HA3 0.687 4.647 3.960 -0.000 0.000 0.301 20 G C 0.816 175.651 174.900 -0.109 0.000 1.321 20 G CA 0.851 45.917 45.100 -0.057 0.000 1.190 20 G HN 1.261 nan 8.290 nan 0.000 0.600 21 G N 0.078 108.828 108.800 -0.083 0.000 2.782 21 G HA2 0.379 4.339 3.960 -0.000 0.000 0.201 21 G HA3 0.379 4.339 3.960 -0.000 0.000 0.201 21 G C 1.241 176.063 174.900 -0.130 0.000 1.374 21 G CA 0.380 45.412 45.100 -0.114 0.000 1.039 21 G HN 0.172 nan 8.290 nan 0.000 0.576 22 S N -0.201 115.437 115.700 -0.103 0.000 2.359 22 S HA -0.130 4.340 4.470 -0.000 0.000 0.223 22 S C 2.405 176.981 174.600 -0.041 0.000 1.039 22 S CA 1.898 60.052 58.200 -0.077 0.000 1.042 22 S CB -0.730 62.442 63.200 -0.047 0.000 0.915 22 S HN 0.747 nan 8.310 nan 0.000 0.439 23 G N 0.932 109.720 108.800 -0.020 0.000 2.404 23 G HA2 0.066 4.026 3.960 -0.000 0.000 0.214 23 G HA3 0.066 4.026 3.960 -0.000 0.000 0.214 23 G C 1.495 176.391 174.900 -0.008 0.000 1.189 23 G CA 0.822 45.920 45.100 -0.003 0.000 0.789 23 G HN 0.563 nan 8.290 nan 0.000 0.533 24 G N 1.270 110.062 108.800 -0.013 0.000 2.599 24 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 24 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 24 G C 1.828 176.711 174.900 -0.027 0.000 1.193 24 G CA 1.092 46.182 45.100 -0.018 0.000 0.778 24 G HN 0.405 nan 8.290 nan 0.000 0.589 25 L N 0.662 121.857 121.223 -0.046 0.000 2.083 25 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 25 L C 3.431 180.301 176.870 0.000 0.000 1.083 25 L CA 0.977 55.799 54.840 -0.031 0.000 0.752 25 L CB -0.512 41.520 42.059 -0.045 0.000 0.899 25 L HN 0.340 nan 8.230 nan 0.000 0.433 26 A N 0.218 123.039 122.820 0.002 0.000 1.902 26 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 26 A C 2.570 180.162 177.584 0.014 0.000 1.181 26 A CA 1.729 53.773 52.037 0.011 0.000 0.623 26 A CB -0.650 18.352 19.000 0.004 0.000 0.818 26 A HN 0.389 nan 8.150 nan 0.000 0.443 27 A N -0.078 122.747 122.820 0.009 0.000 1.877 27 A HA 0.163 4.482 4.320 -0.000 0.000 0.216 27 A C 2.543 180.142 177.584 0.026 0.000 1.186 27 A CA 2.202 54.250 52.037 0.018 0.000 0.620 27 A CB -1.154 17.852 19.000 0.010 0.000 0.822 27 A HN 1.065 nan 8.150 nan 0.000 0.443 28 A N -0.081 122.740 122.820 0.001 0.000 1.865 28 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 28 A C 2.102 179.682 177.584 -0.006 0.000 1.191 28 A CA 2.544 54.571 52.037 -0.017 0.000 0.623 28 A CB -0.543 18.434 19.000 -0.039 0.000 0.826 28 A HN 0.464 nan 8.150 nan 0.000 0.444 29 K N -0.455 119.943 120.400 -0.003 0.000 2.103 29 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 29 K C 2.033 178.641 176.600 0.013 0.000 1.048 29 K CA 1.683 57.964 56.287 -0.009 0.000 0.930 29 K CB -0.115 32.378 32.500 -0.012 0.000 0.716 29 K HN 0.447 nan 8.250 nan 0.000 0.444 30 E N 0.014 120.248 120.200 0.056 0.000 2.005 30 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 30 E C 1.990 178.741 176.600 0.252 0.000 0.987 30 E CA 1.267 57.750 56.400 0.139 0.000 0.814 30 E CB -0.648 29.136 29.700 0.140 0.000 0.772 30 E HN 0.309 nan 8.360 nan 0.000 0.453 31 A N 1.588 124.543 122.820 0.225 0.000 1.940 31 A HA -0.288 4.032 4.320 -0.000 0.000 0.221 31 A C 2.409 180.081 177.584 0.145 0.000 1.190 31 A CA 3.024 55.210 52.037 0.248 0.000 0.647 31 A CB -0.875 18.215 19.000 0.149 0.000 0.821 31 A HN 0.338 nan 8.150 nan 0.000 0.457 32 A N -1.387 121.459 122.820 0.043 0.000 1.902 32 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 32 A C 2.045 179.599 177.584 -0.050 0.000 1.181 32 A CA 2.146 54.168 52.037 -0.025 0.000 0.623 32 A CB -0.572 18.401 19.000 -0.044 0.000 0.818 32 A HN 0.531 nan 8.150 nan 0.000 0.443 33 Q N -0.973 118.767 119.800 -0.100 0.000 2.458 33 Q HA -0.178 4.162 4.340 -0.000 0.000 0.215 33 Q C -0.397 175.269 176.000 -0.557 0.000 0.989 33 Q CA 1.349 56.951 55.803 -0.334 0.000 0.895 33 Q CB -0.696 27.776 28.738 -0.444 0.000 0.934 33 Q HN 0.775 nan 8.270 nan 0.000 0.475 34 Y N -1.458 118.817 120.300 -0.042 0.000 2.631 34 Y HA 0.412 4.962 4.550 0.000 0.000 0.361 34 Y C 1.227 177.081 175.900 -0.077 0.000 0.941 34 Y CA -0.466 57.611 58.100 -0.038 0.000 1.327 34 Y CB 0.444 38.904 38.460 0.001 0.000 1.299 34 Y HN 0.064 nan 8.280 nan 0.000 0.578 35 G N 0.952 109.746 108.800 -0.009 0.000 2.439 35 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.305 35 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.305 35 G C 0.246 175.122 174.900 -0.039 0.000 0.966 35 G CA 0.253 45.342 45.100 -0.018 0.000 0.890 35 G HN 0.157 nan 8.290 nan 0.000 0.513 36 K N 0.037 120.383 120.400 -0.089 0.000 2.172 36 K HA 0.280 4.600 4.320 -0.000 0.000 0.276 36 K C 0.507 177.049 176.600 -0.096 0.000 1.013 36 K CA -0.753 55.430 56.287 -0.173 0.000 0.913 36 K CB 1.430 33.656 32.500 -0.457 0.000 1.055 36 K HN 0.306 nan 8.250 nan 0.000 0.461 37 K N 2.952 123.335 120.400 -0.029 0.000 2.228 37 K HA 0.095 4.415 4.320 -0.000 0.000 0.284 37 K C -0.384 176.230 176.600 0.023 0.000 1.088 37 K CA -0.182 56.147 56.287 0.070 0.000 0.941 37 K CB 0.248 32.860 32.500 0.187 0.000 1.158 37 K HN 0.326 nan 8.250 nan 0.000 0.438 38 V N 5.103 124.947 119.914 -0.116 0.000 2.881 38 V HA 0.671 4.791 4.120 -0.000 0.000 0.316 38 V C -0.991 174.818 176.094 -0.476 0.000 1.070 38 V CA -0.938 61.208 62.300 -0.257 0.000 0.976 38 V CB 1.845 33.569 31.823 -0.165 0.000 1.038 38 V HN 0.919 nan 8.190 nan 0.000 0.446 39 M N 5.375 124.615 119.600 -0.601 0.000 2.378 39 M HA 0.710 5.190 4.480 -0.000 0.000 0.289 39 M C -2.314 173.788 176.300 -0.330 0.000 1.136 39 M CA -0.442 54.491 55.300 -0.611 0.000 0.917 39 M CB 2.164 34.081 32.600 -1.138 0.000 1.669 39 M HN 0.491 nan 8.290 nan 0.000 0.461 40 V N 5.238 125.052 119.914 -0.166 0.000 2.513 40 V HA 0.575 4.695 4.120 -0.000 0.000 0.299 40 V C -0.697 175.412 176.094 0.026 0.000 1.035 40 V CA -0.662 61.607 62.300 -0.052 0.000 0.889 40 V CB 2.004 33.833 31.823 0.009 0.000 0.988 40 V HN 0.810 nan 8.190 nan 0.000 0.440 41 L N 3.975 125.203 121.223 0.009 0.000 2.319 41 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 41 L C -1.160 175.769 176.870 0.100 0.000 1.005 41 L CA -0.316 54.546 54.840 0.037 0.000 0.828 41 L CB 1.810 43.847 42.059 -0.037 0.000 1.227 41 L HN 0.663 nan 8.230 nan 0.000 0.415 42 D N 2.833 123.369 120.400 0.227 0.000 2.696 42 D HA 0.502 5.142 4.640 -0.000 0.000 0.251 42 D C -1.635 174.834 176.300 0.282 0.000 1.188 42 D CA -0.143 53.987 54.000 0.216 0.000 0.876 42 D CB 1.661 42.586 40.800 0.207 0.000 1.334 42 D HN 0.215 nan 8.370 nan 0.000 0.540 43 F N 4.206 124.197 119.950 0.068 0.000 2.557 43 F HA 0.487 5.014 4.527 -0.000 0.000 0.316 43 F C -1.417 174.437 175.800 0.090 0.000 1.141 43 F CA -0.777 57.281 58.000 0.097 0.000 0.922 43 F CB 1.726 40.815 39.000 0.148 0.000 1.194 43 F HN 0.139 nan 8.300 nan 0.000 0.443 44 V N 4.873 124.446 119.914 -0.569 0.000 2.320 44 V HA 0.201 4.321 4.120 -0.000 0.000 0.265 44 V C 0.232 176.014 176.094 -0.519 0.000 1.048 44 V CA -0.496 61.552 62.300 -0.420 0.000 0.865 44 V CB 0.793 32.296 31.823 -0.534 0.000 1.043 44 V HN 0.829 nan 8.190 nan 0.000 0.474 45 T N 4.724 119.231 114.554 -0.078 0.000 2.867 45 T HA 0.253 4.603 4.350 -0.000 0.000 0.297 45 T C -2.026 172.597 174.700 -0.127 0.000 0.989 45 T CA -1.035 61.104 62.100 0.065 0.000 1.159 45 T CB 0.612 69.621 68.868 0.235 0.000 0.928 45 T HN 0.397 nan 8.240 nan 0.000 0.538 46 P HA 0.097 nan 4.420 nan 0.000 0.267 46 P C 0.457 177.694 177.300 -0.104 0.000 1.201 46 P CA -0.115 62.882 63.100 -0.173 0.000 0.775 46 P CB 0.266 31.912 31.700 -0.091 0.000 0.854 47 T N -0.595 113.898 114.554 -0.102 0.000 2.849 47 T HA 0.254 4.604 4.350 -0.000 0.000 0.284 47 T C -1.794 172.917 174.700 0.018 0.000 1.004 47 T CA -1.716 60.389 62.100 0.009 0.000 1.021 47 T CB 0.254 69.163 68.868 0.070 0.000 1.013 47 T HN 0.164 nan 8.240 nan 0.000 0.527 48 P HA -0.042 nan 4.420 nan 0.000 0.219 48 P C 0.816 178.108 177.300 -0.014 0.000 1.144 48 P CA 0.763 63.843 63.100 -0.034 0.000 0.806 48 P CB 0.036 31.666 31.700 -0.116 0.000 0.771 49 L N -3.500 117.743 121.223 0.034 0.000 2.728 49 L HA 0.384 4.724 4.340 -0.000 0.000 0.238 49 L C 1.627 178.516 176.870 0.031 0.000 1.143 49 L CA 1.033 55.895 54.840 0.037 0.000 0.937 49 L CB -0.879 41.227 42.059 0.079 0.000 1.225 49 L HN 0.163 nan 8.230 nan 0.000 0.507 50 G N -0.149 108.656 108.800 0.008 0.000 2.195 50 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.224 50 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.224 50 G C 0.541 175.424 174.900 -0.029 0.000 0.990 50 G CA 0.283 45.377 45.100 -0.010 0.000 0.639 50 G HN 0.293 nan 8.290 nan 0.000 0.514 51 T N 2.425 116.974 114.554 -0.008 0.000 2.888 51 T HA 0.504 4.854 4.350 -0.000 0.000 0.301 51 T C 0.628 175.185 174.700 -0.238 0.000 1.001 51 T CA 0.874 62.967 62.100 -0.012 0.000 1.147 51 T CB 0.765 69.707 68.868 0.122 0.000 0.931 51 T HN 0.923 nan 8.240 nan 0.000 0.541 52 R N 1.332 121.680 120.500 -0.254 0.000 2.846 52 R HA 0.805 5.145 4.340 -0.000 0.000 0.263 52 R C -1.622 174.514 176.300 -0.274 0.000 1.080 52 R CA -1.175 54.571 56.100 -0.591 0.000 0.961 52 R CB 1.501 31.551 30.300 -0.417 0.000 1.231 52 R HN 0.667 nan 8.270 nan 0.000 0.465 53 W N -1.282 120.008 121.300 -0.017 0.000 2.894 53 W HA 0.717 5.377 4.660 -0.000 0.000 0.424 53 W C -0.931 175.579 176.519 -0.016 0.000 1.072 53 W CA -0.905 56.439 57.345 -0.001 0.000 1.194 53 W CB -0.172 29.297 29.460 0.016 0.000 1.471 53 W HN 0.833 nan 8.180 nan 0.000 0.608 54 G N 0.844 109.870 108.800 0.377 0.000 2.535 54 G HA2 0.516 4.476 3.960 -0.000 0.000 0.303 54 G HA3 0.516 4.476 3.960 -0.000 0.000 0.303 54 G C -0.865 174.146 174.900 0.184 0.000 1.237 54 G CA -1.154 44.077 45.100 0.218 0.000 0.986 54 G HN 0.804 nan 8.290 nan 0.000 0.494 55 L N -0.446 120.827 121.223 0.084 0.000 2.503 55 L HA 0.321 4.661 4.340 -0.000 0.000 0.287 55 L C 1.550 178.335 176.870 -0.142 0.000 1.252 55 L CA 1.861 56.673 54.840 -0.047 0.000 0.835 55 L CB 0.827 42.776 42.059 -0.184 0.000 1.099 55 L HN 1.026 nan 8.230 nan 0.000 0.516 56 G N 1.132 109.765 108.800 -0.280 0.000 2.545 56 G HA2 0.081 4.041 3.960 -0.000 0.000 0.195 56 G HA3 0.081 4.041 3.960 -0.000 0.000 0.195 56 G C 0.482 175.172 174.900 -0.350 0.000 1.009 56 G CA -0.091 44.708 45.100 -0.500 0.000 0.703 56 G HN 1.679 nan 8.290 nan 0.000 0.479 57 G N -1.308 107.390 108.800 -0.171 0.000 2.582 57 G HA2 0.190 4.150 3.960 -0.000 0.000 0.222 57 G HA3 0.190 4.150 3.960 -0.000 0.000 0.222 57 G C 0.681 175.499 174.900 -0.136 0.000 1.311 57 G CA 0.675 45.712 45.100 -0.106 0.000 0.915 57 G HN 1.156 nan 8.290 nan 0.000 0.528 58 T N -0.552 113.945 114.554 -0.096 0.000 2.857 58 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 58 T C 2.379 176.958 174.700 -0.201 0.000 1.048 58 T CA 2.281 64.300 62.100 -0.135 0.000 1.139 58 T CB -0.437 68.419 68.868 -0.020 0.000 0.874 58 T HN 0.997 nan 8.240 nan 0.000 0.455 59 c N 1.208 119.715 118.600 -0.155 0.000 2.446 59 c HA 0.015 4.585 4.570 -0.000 0.000 0.277 59 c C 2.753 176.715 174.090 -0.212 0.000 1.275 59 c CA 0.344 56.581 56.329 -0.153 0.000 1.727 59 c CB -1.187 41.263 42.510 -0.100 0.000 2.010 59 c HN 0.354 nan 8.230 nan 0.000 0.486 60 V N 2.102 121.878 119.914 -0.231 0.000 2.307 60 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 60 V C 2.279 178.215 176.094 -0.264 0.000 1.045 60 V CA 2.361 64.528 62.300 -0.221 0.000 1.024 60 V CB -0.644 31.030 31.823 -0.248 0.000 0.651 60 V HN 0.592 nan 8.190 nan 0.000 0.449 61 N N 0.402 118.876 118.700 -0.376 0.000 2.333 61 N HA -0.013 4.727 4.740 -0.000 0.000 0.183 61 N C 1.260 176.438 175.510 -0.553 0.000 1.030 61 N CA 1.818 54.576 53.050 -0.487 0.000 0.867 61 N CB 0.274 38.280 38.487 -0.803 0.000 1.027 61 N HN 0.523 nan 8.380 nan 0.000 0.435 62 V N -2.535 116.980 119.914 -0.665 0.000 2.991 62 V HA 0.670 4.790 4.120 -0.000 0.000 0.355 62 V C 0.565 176.532 176.094 -0.211 0.000 1.384 62 V CA -0.235 61.849 62.300 -0.360 0.000 1.171 62 V CB 0.453 31.942 31.823 -0.556 0.000 1.190 62 V HN 0.161 nan 8.190 nan 0.000 0.540 63 G N -0.238 108.334 108.800 -0.379 0.000 3.392 63 G HA2 0.223 4.183 3.960 -0.000 0.000 0.185 63 G HA3 0.223 4.183 3.960 -0.000 0.000 0.185 63 G C 0.979 175.702 174.900 -0.295 0.000 1.206 63 G CA 0.595 45.564 45.100 -0.219 0.000 0.776 63 G HN 0.302 nan 8.290 nan 0.000 0.697 64 c N 0.928 119.436 118.600 -0.153 0.000 2.328 64 c HA -0.126 4.444 4.570 -0.000 0.000 0.276 64 c C 2.780 176.722 174.090 -0.247 0.000 1.173 64 c CA 0.782 57.026 56.329 -0.142 0.000 1.774 64 c CB -1.466 40.988 42.510 -0.093 0.000 2.009 64 c HN 0.444 nan 8.230 nan 0.000 0.436 65 I N 2.811 123.239 120.570 -0.236 0.000 2.074 65 I HA -0.190 3.980 4.170 -0.000 0.000 0.238 65 I C 0.239 176.170 176.117 -0.310 0.000 1.037 65 I CA 2.270 63.438 61.300 -0.221 0.000 1.301 65 I CB -2.978 34.936 38.000 -0.143 0.000 1.016 65 I HN 0.295 nan 8.210 nan 0.000 0.400 66 P HA -0.202 nan 4.420 nan 0.000 0.216 66 P C 1.700 178.649 177.300 -0.585 0.000 1.150 66 P CA 1.656 64.415 63.100 -0.570 0.000 0.837 66 P CB -0.138 31.027 31.700 -0.891 0.000 0.786 67 K N 1.193 121.200 120.400 -0.655 0.000 1.991 67 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 67 K C 2.211 178.720 176.600 -0.152 0.000 1.049 67 K CA 2.005 58.174 56.287 -0.198 0.000 0.932 67 K CB -0.710 31.776 32.500 -0.023 0.000 0.717 67 K HN -0.135 nan 8.250 nan 0.000 0.441 68 K N 1.070 121.329 120.400 -0.235 0.000 2.032 68 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 68 K C 2.344 178.820 176.600 -0.207 0.000 1.048 68 K CA 1.441 57.561 56.287 -0.278 0.000 0.927 68 K CB -0.463 31.786 32.500 -0.419 0.000 0.712 68 K HN 0.234 nan 8.250 nan 0.000 0.441 69 L N -0.101 120.970 121.223 -0.252 0.000 1.989 69 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 69 L C 2.597 179.301 176.870 -0.276 0.000 1.071 69 L CA 1.847 56.538 54.840 -0.250 0.000 0.749 69 L CB -0.387 41.524 42.059 -0.247 0.000 0.890 69 L HN 0.309 nan 8.230 nan 0.000 0.431 70 M N -1.502 117.868 119.600 -0.384 0.000 2.229 70 M HA -0.224 4.256 4.480 -0.000 0.000 0.264 70 M C 2.326 178.375 176.300 -0.418 0.000 1.063 70 M CA 1.468 56.438 55.300 -0.550 0.000 1.114 70 M CB -0.694 31.263 32.600 -1.072 0.000 1.387 70 M HN 0.293 nan 8.290 nan 0.000 0.420 71 H N 0.444 119.310 119.070 -0.340 0.000 2.421 71 H HA -0.194 4.362 4.556 -0.000 0.000 0.298 71 H C 1.973 177.270 175.328 -0.051 0.000 1.087 71 H CA 2.012 58.036 56.048 -0.040 0.000 1.330 71 H CB -0.071 29.732 29.762 0.067 0.000 1.388 71 H HN 0.309 nan 8.280 nan 0.000 0.526 72 Q N 0.236 119.870 119.800 -0.276 0.000 2.224 72 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 72 Q C 2.267 178.138 176.000 -0.215 0.000 0.970 72 Q CA 1.479 57.118 55.803 -0.274 0.000 0.865 72 Q CB -0.522 28.093 28.738 -0.206 0.000 0.922 72 Q HN 0.537 nan 8.270 nan 0.000 0.445 73 A N 0.190 122.889 122.820 -0.202 0.000 1.898 73 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 73 A C 2.274 179.762 177.584 -0.160 0.000 1.181 73 A CA 1.562 53.499 52.037 -0.166 0.000 0.620 73 A CB -1.051 17.838 19.000 -0.185 0.000 0.819 73 A HN 0.505 nan 8.150 nan 0.000 0.442 74 A N -0.249 122.488 122.820 -0.139 0.000 1.898 74 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 74 A C 2.172 179.701 177.584 -0.092 0.000 1.181 74 A CA 1.377 53.370 52.037 -0.073 0.000 0.620 74 A CB -0.542 18.494 19.000 0.061 0.000 0.819 74 A HN 0.459 nan 8.150 nan 0.000 0.442 75 L N -1.045 120.081 121.223 -0.162 0.000 2.017 75 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 75 L C 2.465 179.276 176.870 -0.098 0.000 1.073 75 L CA 0.753 55.509 54.840 -0.141 0.000 0.745 75 L CB -0.530 41.402 42.059 -0.212 0.000 0.894 75 L HN 0.284 nan 8.230 nan 0.000 0.432 76 L N 0.305 121.462 121.223 -0.111 0.000 2.081 76 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 76 L C 2.558 179.385 176.870 -0.072 0.000 1.080 76 L CA 2.075 56.860 54.840 -0.092 0.000 0.754 76 L CB -1.770 40.232 42.059 -0.094 0.000 0.893 76 L HN 0.234 nan 8.230 nan 0.000 0.433 77 G N -1.477 107.285 108.800 -0.065 0.000 2.459 77 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.217 77 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.217 77 G C 1.475 176.355 174.900 -0.033 0.000 1.183 77 G CA 0.906 45.982 45.100 -0.041 0.000 0.776 77 G HN 0.435 nan 8.290 nan 0.000 0.552 78 Q N 0.923 120.701 119.800 -0.038 0.000 2.152 78 Q HA 0.005 4.345 4.340 -0.000 0.000 0.206 78 Q C 2.557 178.542 176.000 -0.026 0.000 0.985 78 Q CA 2.217 58.001 55.803 -0.031 0.000 0.863 78 Q CB -0.662 28.050 28.738 -0.044 0.000 0.904 78 Q HN 0.394 nan 8.270 nan 0.000 0.422 79 A N 0.111 122.908 122.820 -0.038 0.000 1.933 79 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 79 A C 2.109 179.659 177.584 -0.056 0.000 1.175 79 A CA 1.389 53.397 52.037 -0.048 0.000 0.628 79 A CB -0.762 18.191 19.000 -0.078 0.000 0.814 79 A HN 0.475 nan 8.150 nan 0.000 0.444 80 L N -0.496 120.692 121.223 -0.058 0.000 2.127 80 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 80 L C 2.881 179.749 176.870 -0.003 0.000 1.089 80 L CA 1.284 56.092 54.840 -0.053 0.000 0.757 80 L CB -0.431 41.605 42.059 -0.039 0.000 0.899 80 L HN 0.449 nan 8.230 nan 0.000 0.434 81 Q N -0.336 119.472 119.800 0.013 0.000 2.049 81 Q HA -0.167 4.173 4.340 -0.000 0.000 0.198 81 Q C 1.780 177.831 176.000 0.084 0.000 0.971 81 Q CA 1.369 57.199 55.803 0.043 0.000 0.833 81 Q CB -0.257 28.500 28.738 0.032 0.000 0.896 81 Q HN 0.508 nan 8.270 nan 0.000 0.434 82 D N 1.005 121.457 120.400 0.086 0.000 2.088 82 D HA -0.150 4.490 4.640 -0.000 0.000 0.191 82 D C 2.042 178.496 176.300 0.256 0.000 0.992 82 D CA 2.046 56.151 54.000 0.176 0.000 0.831 82 D CB -0.520 40.355 40.800 0.125 0.000 0.973 82 D HN 0.246 nan 8.370 nan 0.000 0.447 83 S N 0.933 116.722 115.700 0.149 0.000 2.434 83 S HA -0.375 4.095 4.470 -0.000 0.000 0.250 83 S C 1.909 176.765 174.600 0.427 0.000 1.102 83 S CA 1.652 60.009 58.200 0.261 0.000 1.104 83 S CB -0.667 62.501 63.200 -0.053 0.000 0.957 83 S HN 0.250 nan 8.310 nan 0.000 0.456 84 R N 1.992 122.654 120.500 0.271 0.000 2.094 84 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 84 R C 2.098 178.528 176.300 0.217 0.000 1.137 84 R CA 1.992 58.230 56.100 0.229 0.000 0.943 84 R CB -0.772 29.616 30.300 0.146 0.000 0.850 84 R HN 0.620 nan 8.270 nan 0.000 0.433 85 N N -0.459 118.369 118.700 0.214 0.000 2.520 85 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 85 N C 0.669 176.220 175.510 0.069 0.000 1.068 85 N CA 0.906 54.025 53.050 0.116 0.000 0.911 85 N CB -0.071 38.453 38.487 0.061 0.000 0.961 85 N HN 0.335 nan 8.380 nan 0.000 0.446 86 Y N -0.503 119.867 120.300 0.118 0.000 2.457 86 Y HA 0.293 4.843 4.550 0.000 0.000 0.263 86 Y C 1.396 177.281 175.900 -0.025 0.000 1.164 86 Y CA -0.138 58.012 58.100 0.084 0.000 1.274 86 Y CB 0.455 39.018 38.460 0.172 0.000 1.097 86 Y HN 0.106 nan 8.280 nan 0.000 0.523 87 G N -0.929 107.934 108.800 0.103 0.000 2.167 87 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.194 87 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.194 87 G C -0.667 174.134 174.900 -0.165 0.000 1.027 87 G CA -0.689 44.374 45.100 -0.062 0.000 0.717 87 G HN 0.294 nan 8.290 nan 0.000 0.501 88 W N 0.532 121.875 121.300 0.073 0.000 2.529 88 W HA 0.619 5.279 4.660 -0.000 0.000 0.321 88 W C 0.649 177.192 176.519 0.041 0.000 1.047 88 W CA -1.086 56.289 57.345 0.050 0.000 1.216 88 W CB 1.258 30.746 29.460 0.047 0.000 1.357 88 W HN -0.047 nan 8.180 nan 0.000 0.489 89 K N 3.355 123.935 120.400 0.301 0.000 2.180 89 K HA 0.311 4.631 4.320 -0.000 0.000 0.250 89 K C -0.803 175.897 176.600 0.167 0.000 1.135 89 K CA -0.243 56.151 56.287 0.179 0.000 1.037 89 K CB 0.344 32.917 32.500 0.123 0.000 1.624 89 K HN 0.182 nan 8.250 nan 0.000 0.382 90 V N 4.334 124.339 119.914 0.152 0.000 2.385 90 V HA -0.000 4.120 4.120 -0.000 0.000 0.277 90 V C 0.136 176.273 176.094 0.072 0.000 1.012 90 V CA -1.105 61.251 62.300 0.093 0.000 0.832 90 V CB 0.878 32.739 31.823 0.065 0.000 1.028 90 V HN 0.659 nan 8.190 nan 0.000 0.436 91 E N 4.185 124.420 120.200 0.058 0.000 2.829 91 E HA -0.136 4.214 4.350 -0.000 0.000 0.264 91 E C 0.167 176.793 176.600 0.044 0.000 0.922 91 E CA 0.172 56.601 56.400 0.049 0.000 0.960 91 E CB 0.650 30.373 29.700 0.039 0.000 0.918 91 E HN 0.864 nan 8.360 nan 0.000 0.497 92 E N 2.439 122.666 120.200 0.044 0.000 2.415 92 E HA 0.115 4.465 4.350 -0.000 0.000 0.262 92 E C -0.602 176.019 176.600 0.035 0.000 1.038 92 E CA -0.248 56.177 56.400 0.041 0.000 0.921 92 E CB 0.013 29.737 29.700 0.040 0.000 0.950 92 E HN 0.553 nan 8.360 nan 0.000 0.438 93 T N -0.199 114.375 114.554 0.034 0.000 1.058 93 T HA -0.069 4.281 4.350 -0.000 0.000 0.720 93 T C -0.776 173.944 174.700 0.034 0.000 0.979 93 T CA 0.137 62.257 62.100 0.034 0.000 3.809 93 T CB -1.001 67.886 68.868 0.032 0.000 2.164 93 T HN 0.463 nan 8.240 nan 0.000 0.397 94 V N 4.576 124.513 119.914 0.038 0.000 2.686 94 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 94 V C 0.290 176.418 176.094 0.057 0.000 1.065 94 V CA -1.127 61.196 62.300 0.038 0.000 0.894 94 V CB 2.249 34.090 31.823 0.029 0.000 1.004 94 V HN 0.655 nan 8.190 nan 0.000 0.424 95 K N 2.247 122.680 120.400 0.056 0.000 2.295 95 K HA 0.340 4.660 4.320 -0.000 0.000 0.270 95 K C -0.563 176.099 176.600 0.103 0.000 1.011 95 K CA -0.378 55.955 56.287 0.077 0.000 0.953 95 K CB 1.025 33.557 32.500 0.053 0.000 0.956 95 K HN 0.817 nan 8.250 nan 0.000 0.477 96 H N 0.401 119.498 119.070 0.046 0.000 2.492 96 H HA 0.165 4.721 4.556 -0.000 0.000 0.345 96 H C -1.152 174.219 175.328 0.072 0.000 1.136 96 H CA -0.506 55.571 56.048 0.048 0.000 1.202 96 H CB 1.259 31.059 29.762 0.064 0.000 1.524 96 H HN 0.399 nan 8.280 nan 0.000 0.506 97 D N 5.292 125.227 120.400 -0.775 0.000 2.473 97 D HA -0.048 4.592 4.640 -0.000 0.000 0.226 97 D C 0.754 176.749 176.300 -0.509 0.000 1.089 97 D CA -0.460 53.275 54.000 -0.441 0.000 0.883 97 D CB 0.188 40.843 40.800 -0.243 0.000 1.029 97 D HN 0.691 nan 8.370 nan 0.000 0.517 98 W N 4.586 125.741 121.300 -0.242 0.000 2.318 98 W HA -0.222 4.438 4.660 0.000 0.000 0.313 98 W C 0.720 177.226 176.519 -0.021 0.000 1.221 98 W CA 1.261 58.604 57.345 -0.003 0.000 1.266 98 W CB 0.075 29.583 29.460 0.081 0.000 1.150 98 W HN 0.413 nan 8.180 nan 0.000 0.496 99 D N 0.098 120.565 120.400 0.112 0.000 2.097 99 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 99 D C 2.123 178.366 176.300 -0.094 0.000 0.989 99 D CA 1.635 55.670 54.000 0.058 0.000 0.827 99 D CB -0.299 40.587 40.800 0.143 0.000 0.966 99 D HN 0.019 nan 8.370 nan 0.000 0.456 100 R N 0.639 121.069 120.500 -0.117 0.000 2.080 100 R HA -0.089 4.251 4.340 -0.000 0.000 0.236 100 R C 2.295 178.495 176.300 -0.166 0.000 1.137 100 R CA 1.266 57.290 56.100 -0.126 0.000 0.943 100 R CB -0.822 29.395 30.300 -0.137 0.000 0.846 100 R HN 0.226 nan 8.270 nan 0.000 0.431 101 M N -0.399 119.055 119.600 -0.244 0.000 2.080 101 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 101 M C 1.575 177.712 176.300 -0.271 0.000 1.068 101 M CA 1.825 56.983 55.300 -0.236 0.000 1.109 101 M CB -0.138 32.336 32.600 -0.212 0.000 1.342 101 M HN 0.135 nan 8.290 nan 0.000 0.405 102 I N 0.616 120.951 120.570 -0.393 0.000 2.163 102 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 102 I C 2.404 178.442 176.117 -0.132 0.000 1.085 102 I CA 2.009 63.127 61.300 -0.303 0.000 1.347 102 I CB -1.710 36.099 38.000 -0.317 0.000 1.044 102 I HN 0.556 nan 8.210 nan 0.000 0.408 103 E N 1.255 121.396 120.200 -0.098 0.000 2.130 103 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 103 E C 2.207 178.783 176.600 -0.040 0.000 0.998 103 E CA 1.744 58.118 56.400 -0.042 0.000 0.806 103 E CB 0.071 29.753 29.700 -0.032 0.000 0.738 103 E HN 0.465 nan 8.360 nan 0.000 0.459 104 A N 0.482 123.262 122.820 -0.067 0.000 1.872 104 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 104 A C 2.418 179.982 177.584 -0.033 0.000 1.187 104 A CA 1.276 53.283 52.037 -0.051 0.000 0.614 104 A CB -0.625 18.328 19.000 -0.077 0.000 0.826 104 A HN 0.206 nan 8.150 nan 0.000 0.442 105 V N 0.259 120.130 119.914 -0.072 0.000 2.233 105 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 105 V C 2.754 178.853 176.094 0.008 0.000 1.050 105 V CA 2.161 64.430 62.300 -0.053 0.000 1.010 105 V CB -0.983 30.775 31.823 -0.107 0.000 0.637 105 V HN 0.532 nan 8.190 nan 0.000 0.444 106 Q N 0.196 119.995 119.800 -0.001 0.000 2.029 106 Q HA -0.256 4.084 4.340 -0.000 0.000 0.209 106 Q C 2.249 178.271 176.000 0.036 0.000 0.999 106 Q CA 1.858 57.678 55.803 0.027 0.000 0.857 106 Q CB -1.024 27.737 28.738 0.038 0.000 0.926 106 Q HN 0.640 nan 8.270 nan 0.000 0.415 107 N N 0.091 118.812 118.700 0.035 0.000 2.132 107 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 107 N C 1.735 177.276 175.510 0.051 0.000 1.015 107 N CA 1.138 54.212 53.050 0.039 0.000 0.864 107 N CB -0.354 38.154 38.487 0.035 0.000 1.006 107 N HN 0.448 nan 8.380 nan 0.000 0.430 108 H N 0.515 119.578 119.070 -0.011 0.000 2.357 108 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 108 H C 2.202 177.533 175.328 0.005 0.000 1.082 108 H CA 0.967 57.008 56.048 -0.011 0.000 1.342 108 H CB 0.129 29.862 29.762 -0.047 0.000 1.389 108 H HN 0.183 nan 8.280 nan 0.000 0.511 109 I N 0.113 120.651 120.570 -0.053 0.000 2.315 109 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 109 I C 2.882 178.983 176.117 -0.026 0.000 1.117 109 I CA 1.001 62.260 61.300 -0.067 0.000 1.404 109 I CB -0.402 37.578 38.000 -0.034 0.000 1.071 109 I HN 0.266 nan 8.210 nan 0.000 0.419 110 G N 0.140 108.947 108.800 0.013 0.000 2.459 110 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 110 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 110 G C 1.789 176.751 174.900 0.103 0.000 1.183 110 G CA 1.125 46.262 45.100 0.062 0.000 0.776 110 G HN 0.454 nan 8.290 nan 0.000 0.552 111 S N 0.307 116.040 115.700 0.055 0.000 2.374 111 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 111 S C 2.425 177.074 174.600 0.082 0.000 1.037 111 S CA 1.518 59.797 58.200 0.132 0.000 1.024 111 S CB -0.335 62.860 63.200 -0.008 0.000 0.861 111 S HN 0.321 nan 8.310 nan 0.000 0.456 112 L N 1.302 122.492 121.223 -0.055 0.000 1.988 112 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 112 L C 2.737 179.707 176.870 0.166 0.000 1.071 112 L CA 1.510 56.352 54.840 0.003 0.000 0.744 112 L CB -1.088 40.974 42.059 0.006 0.000 0.893 112 L HN 0.360 nan 8.230 nan 0.000 0.433 113 N N -0.103 118.679 118.700 0.138 0.000 2.055 113 N HA -0.312 4.428 4.740 -0.000 0.000 0.200 113 N C 1.392 177.013 175.510 0.184 0.000 1.037 113 N CA 2.138 55.275 53.050 0.146 0.000 0.881 113 N CB -0.977 37.593 38.487 0.138 0.000 1.075 113 N HN 0.460 nan 8.380 nan 0.000 0.470 114 W N 2.165 123.482 121.300 0.029 0.000 2.302 114 W HA -0.158 4.502 4.660 -0.000 0.000 0.320 114 W C 2.412 178.924 176.519 -0.011 0.000 1.241 114 W CA 2.389 59.741 57.345 0.012 0.000 1.264 114 W CB -1.126 28.332 29.460 -0.003 0.000 1.154 114 W HN 0.142 nan 8.180 nan 0.000 0.483 115 G N -0.291 108.249 108.800 -0.434 0.000 2.672 115 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.218 115 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.218 115 G C 1.395 175.985 174.900 -0.517 0.000 1.238 115 G CA 1.700 46.379 45.100 -0.701 0.000 0.791 115 G HN 0.420 nan 8.290 nan 0.000 0.606 116 Y N 0.714 120.842 120.300 -0.286 0.000 2.228 116 Y HA -0.179 4.371 4.550 0.000 0.000 0.285 116 Y C 3.126 178.876 175.900 -0.249 0.000 1.178 116 Y CA 1.770 59.726 58.100 -0.240 0.000 1.202 116 Y CB -0.295 38.041 38.460 -0.208 0.000 0.974 116 Y HN 0.085 nan 8.280 nan 0.000 0.527 117 R N -0.428 120.016 120.500 -0.093 0.000 2.083 117 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 117 R C 2.075 178.317 176.300 -0.096 0.000 1.137 117 R CA 1.858 57.912 56.100 -0.078 0.000 0.951 117 R CB -0.607 29.735 30.300 0.070 0.000 0.851 117 R HN 0.177 nan 8.270 nan 0.000 0.434 118 V N 0.391 120.166 119.914 -0.233 0.000 2.809 118 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 118 V C 2.174 178.154 176.094 -0.190 0.000 1.080 118 V CA 1.526 63.694 62.300 -0.221 0.000 1.102 118 V CB -0.558 31.023 31.823 -0.403 0.000 0.705 118 V HN 0.416 nan 8.190 nan 0.000 0.475 119 A N 0.622 123.310 122.820 -0.220 0.000 1.841 119 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 119 A C 2.208 179.727 177.584 -0.109 0.000 1.195 119 A CA 1.726 53.653 52.037 -0.184 0.000 0.611 119 A CB -0.539 18.332 19.000 -0.215 0.000 0.835 119 A HN 0.461 nan 8.150 nan 0.000 0.443 120 L N -1.228 119.947 121.223 -0.081 0.000 1.989 120 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 120 L C 2.841 179.692 176.870 -0.031 0.000 1.071 120 L CA 1.998 56.808 54.840 -0.050 0.000 0.749 120 L CB -0.558 41.477 42.059 -0.039 0.000 0.890 120 L HN 0.434 nan 8.230 nan 0.000 0.431 121 R N 0.277 120.768 120.500 -0.014 0.000 2.091 121 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 121 R C 2.214 178.504 176.300 -0.016 0.000 1.136 121 R CA 1.573 57.676 56.100 0.006 0.000 0.959 121 R CB -0.079 30.239 30.300 0.030 0.000 0.856 121 R HN 0.385 nan 8.270 nan 0.000 0.437 122 E N -0.038 120.137 120.200 -0.042 0.000 2.077 122 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 122 E C 1.333 177.904 176.600 -0.049 0.000 0.989 122 E CA 1.148 57.519 56.400 -0.049 0.000 0.800 122 E CB 0.063 29.717 29.700 -0.077 0.000 0.746 122 E HN 0.128 nan 8.360 nan 0.000 0.452 123 K N 0.616 120.983 120.400 -0.055 0.000 2.504 123 K HA 0.013 4.333 4.320 -0.000 0.000 0.199 123 K C -0.417 176.157 176.600 -0.043 0.000 1.028 123 K CA 0.143 56.396 56.287 -0.056 0.000 1.164 123 K CB 0.102 32.562 32.500 -0.066 0.000 0.877 123 K HN -0.048 nan 8.250 nan 0.000 0.508 124 K N -0.598 119.785 120.400 -0.028 0.000 3.129 124 K HA -0.142 4.178 4.320 -0.000 0.000 0.273 124 K C -1.012 175.576 176.600 -0.019 0.000 1.123 124 K CA 0.407 56.686 56.287 -0.013 0.000 0.800 124 K CB -1.868 30.626 32.500 -0.010 0.000 1.238 124 K HN -0.010 nan 8.250 nan 0.000 0.492 125 V N 1.556 121.453 119.914 -0.029 0.000 2.394 125 V HA 0.190 4.310 4.120 -0.000 0.000 0.282 125 V C 0.739 176.813 176.094 -0.032 0.000 1.031 125 V CA -0.846 61.422 62.300 -0.053 0.000 0.881 125 V CB 1.732 33.520 31.823 -0.058 0.000 0.982 125 V HN 0.042 nan 8.190 nan 0.000 0.451 126 V N 5.830 125.694 119.914 -0.083 0.000 2.572 126 V HA 0.113 4.233 4.120 -0.000 0.000 0.291 126 V C -0.419 175.671 176.094 -0.007 0.000 1.039 126 V CA -0.110 62.159 62.300 -0.050 0.000 1.055 126 V CB 0.526 32.283 31.823 -0.109 0.000 0.969 126 V HN 0.755 nan 8.190 nan 0.000 0.482 127 Y N 4.663 124.920 120.300 -0.072 0.000 2.328 127 Y HA 0.682 5.232 4.550 -0.000 0.000 0.336 127 Y C -0.424 175.462 175.900 -0.024 0.000 0.960 127 Y CA -1.650 56.418 58.100 -0.054 0.000 1.134 127 Y CB 1.589 40.040 38.460 -0.015 0.000 1.166 127 Y HN 0.692 nan 8.280 nan 0.000 0.464 128 E N 4.550 124.528 120.200 -0.371 0.000 2.191 128 E HA 0.232 4.582 4.350 -0.000 0.000 0.263 128 E C -0.888 175.443 176.600 -0.449 0.000 0.881 128 E CA -0.339 55.806 56.400 -0.424 0.000 0.757 128 E CB 0.648 30.233 29.700 -0.192 0.000 1.147 128 E HN 0.750 nan 8.360 nan 0.000 0.414 129 N N 3.226 121.619 118.700 -0.511 0.000 3.103 129 N HA 0.248 4.988 4.740 -0.000 0.000 0.305 129 N C -1.151 174.450 175.510 0.151 0.000 1.232 129 N CA 0.018 52.990 53.050 -0.130 0.000 1.190 129 N CB -0.055 38.387 38.487 -0.074 0.000 1.461 129 N HN 0.391 nan 8.380 nan 0.000 0.538 130 A N 1.837 124.746 122.820 0.149 0.000 2.515 130 A HA 0.272 4.592 4.320 -0.000 0.000 0.296 130 A C -1.641 176.022 177.584 0.132 0.000 1.094 130 A CA -0.625 51.489 52.037 0.129 0.000 0.718 130 A CB 0.809 19.848 19.000 0.065 0.000 1.307 130 A HN 0.550 nan 8.150 nan 0.000 0.408 131 Y N 1.487 121.677 120.300 -0.182 0.000 2.436 131 Y HA 0.451 5.001 4.550 -0.000 0.000 0.343 131 Y C 0.967 176.832 175.900 -0.058 0.000 1.008 131 Y CA 0.516 58.540 58.100 -0.128 0.000 1.241 131 Y CB 0.562 38.799 38.460 -0.372 0.000 1.153 131 Y HN 0.829 nan 8.280 nan 0.000 0.521 132 G N 4.544 113.253 108.800 -0.151 0.000 2.539 132 G HA2 0.428 4.388 3.960 -0.000 0.000 0.258 132 G HA3 0.428 4.388 3.960 -0.000 0.000 0.258 132 G C -1.385 173.511 174.900 -0.007 0.000 1.202 132 G CA -0.479 44.581 45.100 -0.067 0.000 0.851 132 G HN 0.681 nan 8.290 nan 0.000 0.556 133 Q N -0.448 119.353 119.800 0.002 0.000 2.364 133 Q HA 0.233 4.573 4.340 -0.000 0.000 0.257 133 Q C -1.486 174.529 176.000 0.024 0.000 0.956 133 Q CA -0.652 55.181 55.803 0.050 0.000 0.924 133 Q CB 1.846 30.678 28.738 0.158 0.000 1.413 133 Q HN 0.448 nan 8.270 nan 0.000 0.418 134 F N 3.682 123.661 119.950 0.047 0.000 2.484 134 F HA 0.187 4.714 4.527 -0.000 0.000 0.360 134 F C 1.386 177.196 175.800 0.017 0.000 1.101 134 F CA 0.129 58.122 58.000 -0.011 0.000 1.251 134 F CB 0.592 39.551 39.000 -0.069 0.000 1.132 134 F HN 0.563 nan 8.300 nan 0.000 0.570 135 I N -0.594 120.123 120.570 0.245 0.000 4.471 135 I HA 0.628 4.798 4.170 -0.000 0.000 0.326 135 I C 0.659 176.843 176.117 0.112 0.000 1.300 135 I CA 0.081 61.469 61.300 0.147 0.000 1.237 135 I CB 0.520 38.592 38.000 0.120 0.000 1.195 135 I HN 0.523 nan 8.210 nan 0.000 0.427 136 G N 0.941 109.814 108.800 0.121 0.000 2.466 136 G HA2 0.409 4.369 3.960 -0.000 0.000 0.291 136 G HA3 0.409 4.369 3.960 -0.000 0.000 0.291 136 G C -3.263 171.684 174.900 0.079 0.000 1.460 136 G CA -1.042 44.105 45.100 0.077 0.000 0.791 136 G HN -0.254 nan 8.290 nan 0.000 0.505 137 P HA 0.142 nan 4.420 nan 0.000 0.259 137 P C -0.026 177.400 177.300 0.210 0.000 1.163 137 P CA 1.064 64.258 63.100 0.157 0.000 0.760 137 P CB 0.025 31.818 31.700 0.156 0.000 0.762 138 H N -0.873 118.128 119.070 -0.115 0.000 3.100 138 H HA -0.233 4.323 4.556 -0.000 0.000 0.271 138 H C 0.307 175.776 175.328 0.235 0.000 1.116 138 H CA 1.215 57.269 56.048 0.010 0.000 1.177 138 H CB -1.389 28.333 29.762 -0.066 0.000 1.294 138 H HN 0.361 nan 8.280 nan 0.000 0.334 139 R N 0.136 120.782 120.500 0.243 0.000 2.562 139 R HA 0.728 5.068 4.340 -0.000 0.000 0.298 139 R C -0.782 175.689 176.300 0.285 0.000 0.961 139 R CA -0.642 55.637 56.100 0.299 0.000 0.881 139 R CB 1.717 32.148 30.300 0.218 0.000 1.159 139 R HN 0.316 nan 8.270 nan 0.000 0.450 140 I N 1.632 122.402 120.570 0.334 0.000 2.619 140 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 140 I C -1.223 175.041 176.117 0.246 0.000 1.100 140 I CA -0.837 60.614 61.300 0.252 0.000 1.043 140 I CB 1.651 39.811 38.000 0.268 0.000 1.239 140 I HN 0.488 nan 8.210 nan 0.000 0.420 141 K N 6.412 126.912 120.400 0.168 0.000 2.211 141 K HA 0.666 4.986 4.320 -0.000 0.000 0.275 141 K C -0.894 175.806 176.600 0.167 0.000 1.024 141 K CA -0.441 55.934 56.287 0.147 0.000 0.887 141 K CB 1.397 33.957 32.500 0.099 0.000 1.084 141 K HN 0.661 nan 8.250 nan 0.000 0.463 142 A N 4.025 126.973 122.820 0.213 0.000 2.412 142 A HA 0.261 4.581 4.320 -0.000 0.000 0.334 142 A C -0.529 177.130 177.584 0.124 0.000 1.419 142 A CA -0.603 51.565 52.037 0.217 0.000 0.930 142 A CB 0.414 19.667 19.000 0.421 0.000 1.149 142 A HN 0.704 nan 8.150 nan 0.000 0.515 143 T N 3.809 118.400 114.554 0.061 0.000 2.761 143 T HA 0.181 4.531 4.350 -0.000 0.000 0.296 143 T C 0.893 175.538 174.700 -0.092 0.000 0.934 143 T CA -0.463 61.618 62.100 -0.032 0.000 1.091 143 T CB 0.154 68.959 68.868 -0.104 0.000 0.896 143 T HN 0.858 nan 8.240 nan 0.000 0.515 144 N N 3.038 121.706 118.700 -0.053 0.000 2.374 144 N HA 0.054 4.794 4.740 -0.000 0.000 0.284 144 N C 1.099 176.560 175.510 -0.081 0.000 1.280 144 N CA -0.385 52.645 53.050 -0.034 0.000 0.963 144 N CB 0.281 38.782 38.487 0.024 0.000 1.141 144 N HN 0.413 nan 8.380 nan 0.000 0.565 145 N N -0.615 118.121 118.700 0.060 0.000 2.142 145 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 145 N C 0.343 175.892 175.510 0.065 0.000 1.023 145 N CA 1.395 54.537 53.050 0.153 0.000 0.852 145 N CB -0.003 38.627 38.487 0.238 0.000 0.998 145 N HN 0.543 nan 8.380 nan 0.000 0.424 146 K N -0.798 119.624 120.400 0.037 0.000 2.596 146 K HA 0.247 4.567 4.320 -0.000 0.000 0.211 146 K C 0.658 177.255 176.600 -0.006 0.000 1.046 146 K CA 0.385 56.683 56.287 0.020 0.000 1.202 146 K CB 0.213 32.727 32.500 0.023 0.000 0.925 146 K HN 0.341 nan 8.250 nan 0.000 0.486 147 G N 1.330 110.111 108.800 -0.032 0.000 2.320 147 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 147 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 147 G C 0.051 174.930 174.900 -0.035 0.000 1.033 147 G CA -0.226 44.847 45.100 -0.046 0.000 0.620 147 G HN 0.193 nan 8.290 nan 0.000 0.517 148 K N 2.467 122.857 120.400 -0.017 0.000 2.453 148 K HA 0.218 4.538 4.320 -0.000 0.000 0.280 148 K C 0.676 177.272 176.600 -0.007 0.000 1.045 148 K CA 0.627 56.909 56.287 -0.008 0.000 1.059 148 K CB 0.376 32.878 32.500 0.004 0.000 0.901 148 K HN 0.717 nan 8.250 nan 0.000 0.475 149 E N 2.328 122.523 120.200 -0.008 0.000 2.227 149 E HA 0.399 4.749 4.350 -0.000 0.000 0.268 149 E C -0.349 176.247 176.600 -0.006 0.000 0.990 149 E CA -0.817 55.583 56.400 0.001 0.000 0.856 149 E CB 2.218 31.916 29.700 -0.004 0.000 1.159 149 E HN 0.284 nan 8.360 nan 0.000 0.401 150 K N 1.306 121.707 120.400 0.001 0.000 2.512 150 K HA 0.459 4.779 4.320 -0.000 0.000 0.263 150 K C -1.705 174.794 176.600 -0.169 0.000 0.966 150 K CA -0.755 55.463 56.287 -0.115 0.000 0.851 150 K CB 1.983 34.401 32.500 -0.138 0.000 1.395 150 K HN 0.385 nan 8.250 nan 0.000 0.440 151 I N 3.665 124.024 120.570 -0.352 0.000 2.466 151 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 151 I C -1.731 174.184 176.117 -0.337 0.000 1.026 151 I CA -0.516 60.666 61.300 -0.196 0.000 1.078 151 I CB 0.966 38.934 38.000 -0.054 0.000 1.249 151 I HN 0.645 nan 8.210 nan 0.000 0.429 152 Y N 4.313 124.715 120.300 0.169 0.000 2.570 152 Y HA 0.620 5.170 4.550 -0.000 0.000 0.345 152 Y C 0.301 176.385 175.900 0.306 0.000 1.014 152 Y CA -0.847 57.376 58.100 0.204 0.000 1.063 152 Y CB 1.963 40.567 38.460 0.241 0.000 1.272 152 Y HN 0.538 nan 8.280 nan 0.000 0.477 153 S N 0.590 116.575 115.700 0.474 0.000 2.548 153 S HA 0.987 5.457 4.470 -0.000 0.000 0.286 153 S C -1.100 173.751 174.600 0.419 0.000 1.098 153 S CA -0.577 57.941 58.200 0.531 0.000 0.930 153 S CB 1.977 65.475 63.200 0.496 0.000 1.070 153 S HN 1.150 nan 8.310 nan 0.000 0.480 154 A N 1.127 124.137 122.820 0.316 0.000 2.572 154 A HA 0.688 5.008 4.320 -0.000 0.000 0.295 154 A C 0.463 177.839 177.584 -0.347 0.000 1.072 154 A CA -0.560 51.440 52.037 -0.062 0.000 0.691 154 A CB 1.284 19.998 19.000 -0.478 0.000 1.291 154 A HN 0.975 nan 8.150 nan 0.000 0.404 155 E N 0.207 120.201 120.200 -0.344 0.000 2.110 155 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 155 E C 0.379 177.004 176.600 0.042 0.000 0.988 155 E CA 1.053 57.280 56.400 -0.288 0.000 0.804 155 E CB 0.118 29.888 29.700 0.118 0.000 0.745 155 E HN 0.550 nan 8.360 nan 0.000 0.458 156 R N -1.122 119.438 120.500 0.099 0.000 2.808 156 R HA 0.437 4.777 4.340 -0.000 0.000 0.272 156 R C -1.420 174.977 176.300 0.162 0.000 0.995 156 R CA -0.711 55.567 56.100 0.296 0.000 0.917 156 R CB 1.400 31.888 30.300 0.313 0.000 1.217 156 R HN -0.102 nan 8.270 nan 0.000 0.471 157 F N 1.045 121.148 119.950 0.255 0.000 2.565 157 F HA 0.460 4.987 4.527 0.000 0.000 0.313 157 F C -0.723 175.215 175.800 0.230 0.000 1.091 157 F CA -0.945 57.196 58.000 0.235 0.000 0.915 157 F CB 1.798 41.016 39.000 0.363 0.000 1.208 157 F HN 0.172 nan 8.300 nan 0.000 0.453 158 L N 4.641 126.042 121.223 0.296 0.000 2.343 158 L HA 0.643 4.983 4.340 -0.000 0.000 0.278 158 L C -1.132 175.844 176.870 0.177 0.000 0.996 158 L CA -0.392 54.583 54.840 0.224 0.000 0.831 158 L CB 0.965 43.095 42.059 0.118 0.000 1.232 158 L HN 0.477 nan 8.230 nan 0.000 0.413 159 I N 5.641 126.319 120.570 0.180 0.000 2.312 159 I HA 0.563 4.733 4.170 -0.000 0.000 0.291 159 I C 0.370 176.540 176.117 0.088 0.000 1.031 159 I CA -0.148 61.227 61.300 0.125 0.000 1.293 159 I CB 1.378 39.462 38.000 0.141 0.000 1.403 159 I HN 0.831 nan 8.210 nan 0.000 0.484 160 A N 3.664 126.517 122.820 0.055 0.000 3.453 160 A HA 0.295 4.615 4.320 -0.000 0.000 0.262 160 A C 0.725 178.326 177.584 0.028 0.000 1.026 160 A CA -0.391 51.672 52.037 0.044 0.000 0.938 160 A CB -0.231 18.789 19.000 0.034 0.000 1.246 160 A HN 0.747 nan 8.150 nan 0.000 0.546 161 T N -2.687 111.886 114.554 0.031 0.000 3.081 161 T HA 0.441 4.791 4.350 -0.000 0.000 0.255 161 T C 1.375 176.106 174.700 0.052 0.000 1.113 161 T CA 1.033 63.147 62.100 0.025 0.000 1.082 161 T CB -0.196 68.678 68.868 0.010 0.000 0.939 161 T HN 2.106 nan 8.240 nan 0.000 0.506 162 G N 1.489 110.324 108.800 0.058 0.000 2.601 162 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.261 162 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.261 162 G C -0.588 174.363 174.900 0.085 0.000 1.289 162 G CA 0.082 45.225 45.100 0.071 0.000 0.920 162 G HN 0.665 nan 8.290 nan 0.000 0.571 163 E N -0.542 119.715 120.200 0.096 0.000 2.449 163 E HA 0.826 5.176 4.350 -0.000 0.000 0.254 163 E C -0.143 176.534 176.600 0.130 0.000 0.907 163 E CA -1.152 55.311 56.400 0.105 0.000 0.840 163 E CB 1.467 31.222 29.700 0.092 0.000 1.459 163 E HN 0.496 nan 8.360 nan 0.000 0.407 164 R N 0.134 120.713 120.500 0.131 0.000 2.710 164 R HA 0.393 4.733 4.340 -0.000 0.000 0.270 164 R C -2.851 173.528 176.300 0.131 0.000 1.021 164 R CA -2.267 53.928 56.100 0.159 0.000 0.889 164 R CB 1.008 31.418 30.300 0.182 0.000 1.243 164 R HN 0.326 nan 8.270 nan 0.000 0.464 165 P HA 0.045 nan 4.420 nan 0.000 0.266 165 P C -0.461 176.882 177.300 0.072 0.000 1.195 165 P CA 0.082 63.215 63.100 0.055 0.000 0.768 165 P CB 0.546 32.253 31.700 0.012 0.000 0.838 166 R N 3.140 123.651 120.500 0.019 0.000 2.407 166 R HA 0.381 4.721 4.340 -0.000 0.000 0.303 166 R C -0.980 175.326 176.300 0.009 0.000 0.981 166 R CA -0.495 55.652 56.100 0.078 0.000 0.905 166 R CB 0.465 30.802 30.300 0.063 0.000 1.099 166 R HN 0.334 nan 8.270 nan 0.000 0.459 167 Y N 2.410 122.734 120.300 0.040 0.000 2.432 167 Y HA 0.200 4.750 4.550 -0.000 0.000 0.322 167 Y C 1.365 177.286 175.900 0.035 0.000 1.246 167 Y CA -0.594 57.527 58.100 0.036 0.000 1.268 167 Y CB 1.285 39.764 38.460 0.032 0.000 1.276 167 Y HN 0.506 nan 8.280 nan 0.000 0.499 168 L N 0.900 122.239 121.223 0.194 0.000 2.027 168 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 168 L C 1.593 178.534 176.870 0.117 0.000 1.074 168 L CA 1.601 56.515 54.840 0.124 0.000 0.745 168 L CB -0.512 41.611 42.059 0.107 0.000 0.898 168 L HN 1.063 nan 8.230 nan 0.000 0.433 169 G N -0.012 108.867 108.800 0.131 0.000 2.175 169 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.182 169 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.182 169 G C 0.284 175.225 174.900 0.069 0.000 1.003 169 G CA 0.054 45.205 45.100 0.085 0.000 0.666 169 G HN 0.362 nan 8.290 nan 0.000 0.506 170 I N -1.423 119.199 120.570 0.085 0.000 2.934 170 I HA 0.767 4.937 4.170 -0.000 0.000 0.315 170 I C -2.334 173.827 176.117 0.073 0.000 0.997 170 I CA -2.840 58.505 61.300 0.076 0.000 1.184 170 I CB 1.006 39.057 38.000 0.086 0.000 1.400 170 I HN -0.147 nan 8.210 nan 0.000 0.549 171 P HA 0.191 nan 4.420 nan 0.000 0.271 171 P C 0.537 177.903 177.300 0.110 0.000 1.220 171 P CA 0.814 63.956 63.100 0.069 0.000 0.768 171 P CB 0.931 32.671 31.700 0.067 0.000 0.848 172 G N 3.537 112.389 108.800 0.087 0.000 2.199 172 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 172 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 172 G C 0.981 175.954 174.900 0.121 0.000 0.982 172 G CA 0.616 45.803 45.100 0.144 0.000 0.632 172 G HN 0.580 nan 8.290 nan 0.000 0.529 173 D N 0.887 121.359 120.400 0.120 0.000 2.097 173 D HA -0.065 4.575 4.640 -0.000 0.000 0.195 173 D C 1.951 178.373 176.300 0.203 0.000 0.989 173 D CA 1.664 55.783 54.000 0.199 0.000 0.827 173 D CB -0.511 40.444 40.800 0.259 0.000 0.966 173 D HN 0.469 nan 8.370 nan 0.000 0.456 174 K N 0.054 120.439 120.400 -0.025 0.000 2.366 174 K HA -0.019 4.301 4.320 -0.000 0.000 0.198 174 K C 1.844 178.349 176.600 -0.160 0.000 1.044 174 K CA 0.915 57.069 56.287 -0.223 0.000 0.973 174 K CB 0.154 32.374 32.500 -0.467 0.000 0.767 174 K HN 0.431 nan 8.250 nan 0.000 0.475 175 E N -0.481 119.560 120.200 -0.265 0.000 2.340 175 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 175 E C 0.680 176.946 176.600 -0.556 0.000 0.996 175 E CA 0.849 56.949 56.400 -0.499 0.000 0.869 175 E CB 0.083 29.295 29.700 -0.813 0.000 0.835 175 E HN 0.383 nan 8.360 nan 0.000 0.493 176 Y N 0.152 120.497 120.300 0.075 0.000 2.448 176 Y HA 0.281 4.831 4.550 -0.000 0.000 0.257 176 Y C 0.973 176.932 175.900 0.098 0.000 1.089 176 Y CA -1.151 56.993 58.100 0.075 0.000 1.245 176 Y CB 0.311 38.805 38.460 0.057 0.000 1.282 176 Y HN -0.035 nan 8.280 nan 0.000 0.529 177 C N 1.985 121.425 119.300 0.233 0.000 2.335 177 C HA 0.760 5.220 4.460 -0.000 0.000 0.363 177 C C 0.451 175.544 174.990 0.172 0.000 1.198 177 C CA -1.066 58.066 59.018 0.191 0.000 2.279 177 C CB 0.635 28.484 27.740 0.182 0.000 2.334 177 C HN 0.358 nan 8.230 nan 0.000 0.559 178 I N 0.152 120.776 120.570 0.091 0.000 2.892 178 I HA 0.839 5.009 4.170 -0.000 0.000 0.306 178 I C -0.083 176.015 176.117 -0.031 0.000 1.078 178 I CA -0.130 61.207 61.300 0.061 0.000 1.032 178 I CB 2.112 40.134 38.000 0.037 0.000 1.229 178 I HN 0.699 nan 8.210 nan 0.000 0.435 179 S N 1.340 117.024 115.700 -0.027 0.000 2.798 179 S HA 0.373 4.843 4.470 -0.000 0.000 0.312 179 S C 1.012 175.571 174.600 -0.068 0.000 1.122 179 S CA 0.023 58.171 58.200 -0.086 0.000 0.949 179 S CB 1.135 64.281 63.200 -0.090 0.000 1.235 179 S HN 0.925 nan 8.310 nan 0.000 0.552 180 S N 0.252 115.917 115.700 -0.058 0.000 2.400 180 S HA -0.176 4.294 4.470 -0.000 0.000 0.232 180 S C 1.004 175.599 174.600 -0.008 0.000 1.025 180 S CA 1.622 59.770 58.200 -0.086 0.000 0.993 180 S CB -1.042 62.208 63.200 0.084 0.000 0.808 180 S HN 0.675 nan 8.310 nan 0.000 0.478 181 D N 2.034 122.528 120.400 0.155 0.000 2.144 181 D HA -0.063 4.577 4.640 -0.000 0.000 0.199 181 D C 1.566 178.105 176.300 0.399 0.000 0.984 181 D CA 1.426 55.657 54.000 0.385 0.000 0.834 181 D CB -0.348 40.805 40.800 0.589 0.000 0.955 181 D HN 0.566 nan 8.370 nan 0.000 0.465 182 D N -0.015 120.506 120.400 0.202 0.000 2.277 182 D HA -0.046 4.594 4.640 -0.000 0.000 0.209 182 D C 2.248 178.581 176.300 0.054 0.000 0.970 182 D CA -0.198 53.899 54.000 0.162 0.000 0.874 182 D CB 0.104 40.978 40.800 0.124 0.000 0.982 182 D HN 0.110 nan 8.370 nan 0.000 0.504 183 L N 0.944 122.100 121.223 -0.112 0.000 1.978 183 L HA -0.213 4.127 4.340 -0.000 0.000 0.218 183 L C 1.705 178.500 176.870 -0.124 0.000 1.075 183 L CA 1.786 56.493 54.840 -0.221 0.000 0.767 183 L CB -0.760 41.006 42.059 -0.489 0.000 0.890 183 L HN -0.064 nan 8.230 nan 0.000 0.434 184 F N 0.317 120.370 119.950 0.172 0.000 2.773 184 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 184 F C 1.871 177.729 175.800 0.097 0.000 1.204 184 F CA 0.782 58.846 58.000 0.107 0.000 1.454 184 F CB -0.775 38.231 39.000 0.010 0.000 1.117 184 F HN 0.299 nan 8.300 nan 0.000 0.590 185 S N -2.239 113.610 115.700 0.248 0.000 2.998 185 S HA 0.218 4.688 4.470 -0.000 0.000 0.256 185 S C -0.007 174.714 174.600 0.203 0.000 0.970 185 S CA -0.538 57.791 58.200 0.214 0.000 1.238 185 S CB -0.745 62.588 63.200 0.222 0.000 1.170 185 S HN 0.090 nan 8.310 nan 0.000 0.663 186 L N 2.643 123.989 121.223 0.205 0.000 2.640 186 L HA 0.097 4.437 4.340 -0.000 0.000 0.280 186 L C -1.545 175.406 176.870 0.135 0.000 1.229 186 L CA -0.676 54.181 54.840 0.029 0.000 0.919 186 L CB 0.765 42.674 42.059 -0.249 0.000 1.168 186 L HN 0.125 nan 8.230 nan 0.000 0.496 187 P HA -0.063 nan 4.420 nan 0.000 0.233 187 P C -1.144 176.325 177.300 0.280 0.000 1.167 187 P CA 0.950 64.187 63.100 0.228 0.000 0.770 187 P CB 0.140 31.997 31.700 0.262 0.000 0.837 188 Y N -3.949 116.418 120.300 0.113 0.000 2.605 188 Y HA 0.560 5.110 4.550 -0.000 0.000 0.343 188 Y C -0.472 175.197 175.900 -0.385 0.000 1.036 188 Y CA -2.556 55.535 58.100 -0.016 0.000 1.065 188 Y CB 0.114 38.550 38.460 -0.041 0.000 1.288 188 Y HN -0.351 nan 8.280 nan 0.000 0.481 189 C N 4.614 123.664 119.300 -0.416 0.000 2.627 189 C HA 0.284 4.744 4.460 -0.000 0.000 0.404 189 C C -1.038 173.605 174.990 -0.579 0.000 1.340 189 C CA -1.418 57.045 59.018 -0.924 0.000 1.758 189 C CB -0.183 27.405 27.740 -0.253 0.000 2.501 189 C HN 0.840 nan 8.230 nan 0.000 0.588 190 P HA 0.031 nan 4.420 nan 0.000 0.218 190 P C 1.014 178.220 177.300 -0.157 0.000 1.152 190 P CA 2.446 65.294 63.100 -0.419 0.000 0.857 190 P CB -0.150 31.259 31.700 -0.486 0.000 0.787 191 G N -0.845 107.864 108.800 -0.152 0.000 2.598 191 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 191 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 191 G C -0.400 174.472 174.900 -0.047 0.000 1.302 191 G CA -0.131 44.937 45.100 -0.054 0.000 0.903 191 G HN 0.516 nan 8.290 nan 0.000 0.575 192 K N 0.746 121.140 120.400 -0.011 0.000 2.419 192 K HA 0.433 4.753 4.320 -0.000 0.000 0.282 192 K C 0.613 177.187 176.600 -0.044 0.000 1.056 192 K CA 0.920 57.201 56.287 -0.010 0.000 1.035 192 K CB -0.130 32.401 32.500 0.051 0.000 0.921 192 K HN 1.031 nan 8.250 nan 0.000 0.472 193 T N 2.490 116.960 114.554 -0.142 0.000 2.916 193 T HA 0.501 4.851 4.350 -0.000 0.000 0.292 193 T C -1.313 173.118 174.700 -0.448 0.000 1.064 193 T CA -1.116 60.849 62.100 -0.225 0.000 1.011 193 T CB 1.264 70.025 68.868 -0.178 0.000 1.152 193 T HN 0.442 nan 8.240 nan 0.000 0.510 194 L N 2.760 123.667 121.223 -0.526 0.000 2.341 194 L HA 0.799 5.139 4.340 -0.000 0.000 0.278 194 L C -1.302 175.375 176.870 -0.321 0.000 1.005 194 L CA -0.617 53.850 54.840 -0.621 0.000 0.818 194 L CB 1.889 43.440 42.059 -0.847 0.000 1.259 194 L HN 0.609 nan 8.230 nan 0.000 0.418 195 V N 5.732 125.476 119.914 -0.282 0.000 2.357 195 V HA 0.434 4.553 4.120 -0.000 0.000 0.284 195 V C -0.278 175.729 176.094 -0.144 0.000 1.018 195 V CA -0.730 61.450 62.300 -0.201 0.000 0.841 195 V CB 1.525 33.219 31.823 -0.215 0.000 0.991 195 V HN 0.538 nan 8.190 nan 0.000 0.437 196 V N 4.931 124.788 119.914 -0.095 0.000 2.364 196 V HA 0.909 5.029 4.120 -0.000 0.000 0.272 196 V C 0.729 176.801 176.094 -0.037 0.000 1.036 196 V CA 0.737 63.011 62.300 -0.044 0.000 0.880 196 V CB 0.534 32.348 31.823 -0.015 0.000 0.991 196 V HN 1.269 nan 8.190 nan 0.000 0.460 197 G N 4.020 112.815 108.800 -0.009 0.000 2.357 197 G HA2 0.479 4.439 3.960 -0.000 0.000 0.643 197 G HA3 0.479 4.439 3.960 -0.000 0.000 0.643 197 G C -0.398 174.521 174.900 0.031 0.000 1.358 197 G CA -0.027 45.078 45.100 0.007 0.000 0.986 197 G HN 1.397 nan 8.290 nan 0.000 0.620 198 A N -0.406 122.449 122.820 0.058 0.000 2.543 198 A HA 0.750 5.070 4.320 -0.000 0.000 0.279 198 A C 0.947 178.601 177.584 0.116 0.000 0.917 198 A CA 1.265 53.364 52.037 0.103 0.000 1.036 198 A CB -0.436 18.648 19.000 0.139 0.000 1.227 198 A HN 2.310 nan 8.150 nan 0.000 0.503 199 S N -0.693 115.050 115.700 0.072 0.000 2.661 199 S HA 0.374 4.844 4.470 -0.000 0.000 0.265 199 S C 1.172 175.832 174.600 0.100 0.000 1.225 199 S CA 0.205 58.457 58.200 0.087 0.000 0.986 199 S CB -0.087 63.084 63.200 -0.048 0.000 1.008 199 S HN 0.939 nan 8.310 nan 0.000 0.565 200 Y N -0.903 119.490 120.300 0.156 0.000 2.274 200 Y HA 0.021 4.571 4.550 -0.000 0.000 0.290 200 Y C 1.898 177.855 175.900 0.095 0.000 1.145 200 Y CA 0.994 59.152 58.100 0.096 0.000 1.203 200 Y CB -1.220 37.294 38.460 0.090 0.000 0.984 200 Y HN 0.265 nan 8.280 nan 0.000 0.533 201 V N 1.350 121.085 119.914 -0.299 0.000 2.343 201 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 201 V C 2.887 178.956 176.094 -0.042 0.000 1.051 201 V CA 1.783 64.004 62.300 -0.131 0.000 1.036 201 V CB -1.380 30.299 31.823 -0.241 0.000 0.654 201 V HN 0.656 nan 8.190 nan 0.000 0.451 202 A N -0.095 122.686 122.820 -0.064 0.000 1.851 202 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 202 A C 2.213 179.765 177.584 -0.054 0.000 1.195 202 A CA 2.009 54.009 52.037 -0.063 0.000 0.622 202 A CB -0.659 18.319 19.000 -0.038 0.000 0.831 202 A HN 0.476 nan 8.150 nan 0.000 0.444 203 L N -0.802 120.432 121.223 0.018 0.000 2.046 203 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 203 L C 2.674 179.555 176.870 0.020 0.000 1.077 203 L CA 1.752 56.618 54.840 0.043 0.000 0.747 203 L CB -0.727 41.403 42.059 0.118 0.000 0.896 203 L HN 0.503 nan 8.230 nan 0.000 0.432 204 E N -0.508 119.732 120.200 0.066 0.000 2.038 204 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 204 E C 2.329 178.874 176.600 -0.092 0.000 1.000 204 E CA 1.820 58.278 56.400 0.097 0.000 0.803 204 E CB -0.226 29.619 29.700 0.242 0.000 0.750 204 E HN 0.550 nan 8.360 nan 0.000 0.448 205 C N 0.686 119.830 119.300 -0.260 0.000 2.432 205 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 205 C C 2.942 177.436 174.990 -0.827 0.000 1.249 205 C CA 0.771 59.269 59.018 -0.867 0.000 1.725 205 C CB -1.079 26.400 27.740 -0.434 0.000 2.028 205 C HN 0.538 nan 8.230 nan 0.000 0.477 206 A N 0.995 123.577 122.820 -0.397 0.000 1.892 206 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 206 A C 2.391 179.839 177.584 -0.226 0.000 1.188 206 A CA 2.372 54.233 52.037 -0.294 0.000 0.631 206 A CB -1.393 17.467 19.000 -0.232 0.000 0.822 206 A HN 0.576 nan 8.150 nan 0.000 0.447 207 G N -0.060 108.653 108.800 -0.146 0.000 2.459 207 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 207 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 207 G C 1.388 176.345 174.900 0.096 0.000 1.183 207 G CA 1.460 46.567 45.100 0.011 0.000 0.776 207 G HN 0.836 nan 8.290 nan 0.000 0.552 208 F N 0.667 120.699 119.950 0.136 0.000 2.259 208 F HA 0.268 4.795 4.527 0.000 0.000 0.298 208 F C 2.182 178.034 175.800 0.087 0.000 1.088 208 F CA 0.240 58.319 58.000 0.132 0.000 1.358 208 F CB -0.767 38.340 39.000 0.178 0.000 1.040 208 F HN 0.066 nan 8.300 nan 0.000 0.505 209 L N 0.782 122.088 121.223 0.139 0.000 2.046 209 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 209 L C 2.961 179.898 176.870 0.110 0.000 1.077 209 L CA 1.363 56.315 54.840 0.186 0.000 0.747 209 L CB -1.099 40.932 42.059 -0.046 0.000 0.896 209 L HN 0.364 nan 8.230 nan 0.000 0.432 210 A N 0.151 122.992 122.820 0.035 0.000 1.898 210 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 210 A C 2.360 179.980 177.584 0.061 0.000 1.181 210 A CA 1.640 53.695 52.037 0.030 0.000 0.620 210 A CB -1.243 17.762 19.000 0.008 0.000 0.819 210 A HN 0.448 nan 8.150 nan 0.000 0.442 211 G N -0.709 108.146 108.800 0.091 0.000 2.470 211 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.220 211 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.220 211 G C 1.158 176.072 174.900 0.023 0.000 1.121 211 G CA 1.070 46.212 45.100 0.070 0.000 0.766 211 G HN 0.392 nan 8.290 nan 0.000 0.553 212 I N 0.677 121.269 120.570 0.036 0.000 3.684 212 I HA 0.281 4.451 4.170 -0.000 0.000 0.304 212 I C 1.875 177.997 176.117 0.009 0.000 1.278 212 I CA 0.324 61.571 61.300 -0.089 0.000 1.272 212 I CB 0.026 37.990 38.000 -0.060 0.000 1.029 212 I HN 0.281 nan 8.210 nan 0.000 0.458 213 G N -0.175 108.654 108.800 0.048 0.000 2.163 213 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.213 213 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.213 213 G C 0.315 175.254 174.900 0.065 0.000 0.991 213 G CA 0.017 45.155 45.100 0.063 0.000 0.653 213 G HN 0.284 nan 8.290 nan 0.000 0.518 214 L N 0.557 121.817 121.223 0.062 0.000 2.416 214 L HA 0.535 4.875 4.340 -0.000 0.000 0.262 214 L C 0.273 177.145 176.870 0.002 0.000 1.093 214 L CA -0.951 53.910 54.840 0.034 0.000 0.801 214 L CB 0.852 42.928 42.059 0.027 0.000 1.191 214 L HN 0.138 nan 8.230 nan 0.000 0.459 215 D N 1.427 121.818 120.400 -0.014 0.000 2.339 215 D HA 0.293 4.933 4.640 -0.000 0.000 0.241 215 D C -1.094 175.157 176.300 -0.081 0.000 1.183 215 D CA -0.108 53.874 54.000 -0.030 0.000 0.859 215 D CB 1.150 41.944 40.800 -0.009 0.000 1.067 215 D HN 0.066 nan 8.370 nan 0.000 0.484 216 V N 3.329 123.179 119.914 -0.107 0.000 2.715 216 V HA 0.533 4.653 4.120 -0.000 0.000 0.310 216 V C 0.319 176.274 176.094 -0.232 0.000 1.054 216 V CA -0.619 61.571 62.300 -0.183 0.000 0.928 216 V CB 2.233 33.951 31.823 -0.176 0.000 1.007 216 V HN 0.578 nan 8.190 nan 0.000 0.437 217 T N 2.572 116.931 114.554 -0.325 0.000 2.912 217 T HA 0.642 4.992 4.350 -0.000 0.000 0.299 217 T C -0.956 173.505 174.700 -0.399 0.000 1.052 217 T CA -0.487 61.405 62.100 -0.347 0.000 0.996 217 T CB 1.980 70.651 68.868 -0.329 0.000 1.070 217 T HN 0.360 nan 8.240 nan 0.000 0.465 218 V N 3.300 122.939 119.914 -0.460 0.000 2.444 218 V HA 0.478 4.598 4.120 -0.000 0.000 0.294 218 V C -0.290 175.700 176.094 -0.174 0.000 1.022 218 V CA -0.775 61.284 62.300 -0.401 0.000 0.850 218 V CB 1.629 33.035 31.823 -0.695 0.000 0.992 218 V HN 0.915 nan 8.190 nan 0.000 0.426 219 M N 6.185 125.741 119.600 -0.074 0.000 2.080 219 M HA 0.548 5.028 4.480 -0.000 0.000 0.350 219 M C -1.225 175.130 176.300 0.093 0.000 1.173 219 M CA -0.284 55.041 55.300 0.042 0.000 1.052 219 M CB 0.985 33.618 32.600 0.055 0.000 1.577 219 M HN 0.474 nan 8.290 nan 0.000 0.455 220 V N 6.310 126.319 119.914 0.159 0.000 2.398 220 V HA 0.339 4.459 4.120 -0.000 0.000 0.286 220 V C 0.903 177.079 176.094 0.137 0.000 1.026 220 V CA -0.595 61.798 62.300 0.155 0.000 0.868 220 V CB 1.265 33.204 31.823 0.194 0.000 0.982 220 V HN 0.980 nan 8.190 nan 0.000 0.443 221 R N 2.804 123.363 120.500 0.100 0.000 2.066 221 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 221 R C 1.792 178.124 176.300 0.053 0.000 1.131 221 R CA 2.019 58.161 56.100 0.071 0.000 0.955 221 R CB 0.205 30.538 30.300 0.054 0.000 0.851 221 R HN 0.909 nan 8.270 nan 0.000 0.432 222 S N -0.922 114.814 115.700 0.060 0.000 3.884 222 S HA 0.236 4.706 4.470 -0.000 0.000 0.174 222 S C 0.690 175.324 174.600 0.057 0.000 0.872 222 S CA -0.268 57.961 58.200 0.047 0.000 1.015 222 S CB -0.227 62.995 63.200 0.038 0.000 1.395 222 S HN 0.292 nan 8.310 nan 0.000 0.737 223 I N -0.179 120.428 120.570 0.063 0.000 3.170 223 I HA 0.660 4.830 4.170 -0.000 0.000 0.312 223 I C -1.044 175.126 176.117 0.088 0.000 1.085 223 I CA -1.596 59.742 61.300 0.063 0.000 0.999 223 I CB 1.457 39.490 38.000 0.055 0.000 1.233 223 I HN 0.319 nan 8.210 nan 0.000 0.467 224 L N 2.502 123.775 121.223 0.084 0.000 2.357 224 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 224 L C -0.044 176.920 176.870 0.157 0.000 1.080 224 L CA -1.052 53.856 54.840 0.114 0.000 0.803 224 L CB 1.076 43.180 42.059 0.075 0.000 1.174 224 L HN 0.613 nan 8.230 nan 0.000 0.443 225 L N 1.900 123.250 121.223 0.211 0.000 3.995 225 L HA -0.241 4.099 4.340 -0.000 0.000 0.513 225 L C 0.786 177.889 176.870 0.387 0.000 1.147 225 L CA 0.282 55.341 54.840 0.364 0.000 0.703 225 L CB -1.350 40.915 42.059 0.344 0.000 1.306 225 L HN 0.681 nan 8.230 nan 0.000 0.779 226 R N 1.542 122.191 120.500 0.250 0.000 2.484 226 R HA 0.293 4.633 4.340 -0.000 0.000 0.293 226 R C 1.355 177.730 176.300 0.124 0.000 1.023 226 R CA 1.103 57.301 56.100 0.163 0.000 1.037 226 R CB 0.406 30.770 30.300 0.107 0.000 0.951 226 R HN 0.595 nan 8.270 nan 0.000 0.418 227 G N 3.275 112.114 108.800 0.065 0.000 2.259 227 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 227 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 227 G C -0.323 174.490 174.900 -0.145 0.000 1.001 227 G CA -0.267 44.782 45.100 -0.086 0.000 0.627 227 G HN 0.497 nan 8.290 nan 0.000 0.501 228 F N 2.058 122.101 119.950 0.155 0.000 2.432 228 F HA 0.508 5.035 4.527 -0.000 0.000 0.329 228 F C 0.678 176.572 175.800 0.156 0.000 1.076 228 F CA -1.029 57.097 58.000 0.210 0.000 1.018 228 F CB 1.014 40.184 39.000 0.283 0.000 1.201 228 F HN 0.020 nan 8.300 nan 0.000 0.489 229 D N 2.761 123.395 120.400 0.390 0.000 2.661 229 D HA -0.121 4.519 4.640 -0.000 0.000 0.244 229 D C 0.891 177.247 176.300 0.092 0.000 1.196 229 D CA 0.282 54.374 54.000 0.153 0.000 0.881 229 D CB 0.885 41.673 40.800 -0.019 0.000 1.141 229 D HN 0.491 nan 8.370 nan 0.000 0.530 230 Q N 3.129 122.964 119.800 0.059 0.000 2.170 230 Q HA -0.168 4.172 4.340 -0.000 0.000 0.203 230 Q C 1.356 177.336 176.000 -0.033 0.000 0.976 230 Q CA 1.114 56.934 55.803 0.028 0.000 0.858 230 Q CB -0.175 28.578 28.738 0.024 0.000 0.907 230 Q HN 0.671 nan 8.270 nan 0.000 0.433 231 D N 0.033 120.397 120.400 -0.059 0.000 2.104 231 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 231 D C 1.724 177.949 176.300 -0.126 0.000 0.994 231 D CA 1.223 55.167 54.000 -0.093 0.000 0.830 231 D CB 0.123 40.868 40.800 -0.092 0.000 0.959 231 D HN 0.026 nan 8.370 nan 0.000 0.452 232 M N 0.680 120.186 119.600 -0.157 0.000 2.067 232 M HA -0.040 4.440 4.480 -0.000 0.000 0.260 232 M C 2.519 178.656 176.300 -0.271 0.000 1.069 232 M CA 1.484 56.612 55.300 -0.287 0.000 1.117 232 M CB -1.659 30.584 32.600 -0.595 0.000 1.334 232 M HN 0.152 nan 8.290 nan 0.000 0.407 233 A N 1.305 124.018 122.820 -0.179 0.000 1.903 233 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 233 A C 2.023 179.555 177.584 -0.087 0.000 1.191 233 A CA 2.292 54.274 52.037 -0.091 0.000 0.638 233 A CB -1.028 17.983 19.000 0.019 0.000 0.823 233 A HN 0.568 nan 8.150 nan 0.000 0.451 234 N N -0.161 118.485 118.700 -0.090 0.000 2.166 234 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 234 N C 1.617 177.066 175.510 -0.101 0.000 1.019 234 N CA 1.582 54.572 53.050 -0.101 0.000 0.856 234 N CB -0.374 38.057 38.487 -0.094 0.000 0.993 234 N HN 0.610 nan 8.380 nan 0.000 0.426 235 K N 0.713 121.051 120.400 -0.104 0.000 2.097 235 K HA 0.025 4.345 4.320 -0.000 0.000 0.206 235 K C 2.095 178.685 176.600 -0.016 0.000 1.049 235 K CA 0.705 56.950 56.287 -0.070 0.000 0.933 235 K CB -0.085 32.360 32.500 -0.092 0.000 0.717 235 K HN 0.165 nan 8.250 nan 0.000 0.442 236 I N 0.505 121.049 120.570 -0.044 0.000 2.226 236 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 236 I C 2.471 178.624 176.117 0.060 0.000 1.100 236 I CA 1.382 62.690 61.300 0.013 0.000 1.374 236 I CB -0.629 37.356 38.000 -0.025 0.000 1.057 236 I HN 0.296 nan 8.210 nan 0.000 0.413 237 G N 0.266 109.047 108.800 -0.031 0.000 2.404 237 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 237 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 237 G C 1.510 176.333 174.900 -0.128 0.000 1.174 237 G CA 0.434 45.448 45.100 -0.143 0.000 0.780 237 G HN 0.379 nan 8.290 nan 0.000 0.537 238 E N -0.495 119.650 120.200 -0.091 0.000 2.085 238 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 238 E C 2.178 178.802 176.600 0.040 0.000 0.994 238 E CA 0.898 57.267 56.400 -0.053 0.000 0.801 238 E CB -0.291 29.381 29.700 -0.048 0.000 0.743 238 E HN 0.543 nan 8.360 nan 0.000 0.453 239 H N 0.555 119.646 119.070 0.036 0.000 2.321 239 H HA -0.105 4.451 4.556 -0.000 0.000 0.300 239 H C 2.130 177.595 175.328 0.228 0.000 1.087 239 H CA 1.558 57.685 56.048 0.132 0.000 1.319 239 H CB 0.006 29.831 29.762 0.105 0.000 1.379 239 H HN 0.157 nan 8.280 nan 0.000 0.501 240 M N 0.305 120.052 119.600 0.245 0.000 2.080 240 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 240 M C 2.486 178.935 176.300 0.248 0.000 1.068 240 M CA 1.905 57.364 55.300 0.264 0.000 1.109 240 M CB -0.276 32.551 32.600 0.378 0.000 1.342 240 M HN 0.324 nan 8.290 nan 0.000 0.405 241 E N 0.653 120.992 120.200 0.232 0.000 2.051 241 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 241 E C 1.686 178.314 176.600 0.047 0.000 0.991 241 E CA 1.359 57.871 56.400 0.187 0.000 0.799 241 E CB 0.017 29.756 29.700 0.065 0.000 0.748 241 E HN 0.463 nan 8.360 nan 0.000 0.449 242 E N -0.931 119.247 120.200 -0.037 0.000 2.333 242 E HA -0.208 4.142 4.350 -0.000 0.000 0.200 242 E C 1.061 177.465 176.600 -0.326 0.000 1.010 242 E CA 1.019 57.310 56.400 -0.181 0.000 0.841 242 E CB -0.059 29.495 29.700 -0.243 0.000 0.757 242 E HN 0.442 nan 8.360 nan 0.000 0.508 243 H N -2.291 116.698 119.070 -0.134 0.000 2.594 243 H HA 0.216 4.772 4.556 0.000 0.000 0.279 243 H C 1.014 176.312 175.328 -0.049 0.000 1.042 243 H CA 0.464 56.441 56.048 -0.119 0.000 1.177 243 H CB 1.443 31.102 29.762 -0.173 0.000 1.524 243 H HN 0.242 nan 8.280 nan 0.000 0.537 244 G N 0.361 109.191 108.800 0.050 0.000 2.316 244 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 244 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 244 G C 0.207 175.124 174.900 0.028 0.000 0.999 244 G CA -0.279 44.841 45.100 0.034 0.000 0.649 244 G HN 0.210 nan 8.290 nan 0.000 0.489 245 I N 2.634 123.234 120.570 0.049 0.000 2.517 245 I HA 0.190 4.360 4.170 -0.000 0.000 0.285 245 I C 0.579 176.683 176.117 -0.021 0.000 1.106 245 I CA 0.234 61.511 61.300 -0.038 0.000 1.402 245 I CB 0.669 38.640 38.000 -0.048 0.000 1.399 245 I HN 0.061 nan 8.210 nan 0.000 0.535 246 K N 6.598 126.928 120.400 -0.118 0.000 2.174 246 K HA 0.526 4.846 4.320 -0.000 0.000 0.275 246 K C -1.076 175.415 176.600 -0.181 0.000 1.015 246 K CA -0.366 55.899 56.287 -0.036 0.000 0.933 246 K CB 1.106 33.585 32.500 -0.034 0.000 1.025 246 K HN 0.236 nan 8.250 nan 0.000 0.463 247 F N 1.898 121.841 119.950 -0.011 0.000 2.495 247 F HA 0.444 4.971 4.527 -0.000 0.000 0.327 247 F C 0.086 175.889 175.800 0.006 0.000 1.103 247 F CA -0.878 57.121 58.000 -0.001 0.000 0.949 247 F CB 1.264 40.270 39.000 0.011 0.000 1.142 247 F HN 0.228 nan 8.300 nan 0.000 0.457 248 I N 3.934 124.604 120.570 0.167 0.000 2.382 248 I HA 0.396 4.566 4.170 -0.000 0.000 0.285 248 I C -0.566 175.686 176.117 0.226 0.000 1.007 248 I CA -0.705 60.663 61.300 0.112 0.000 1.142 248 I CB 1.254 39.255 38.000 0.002 0.000 1.289 248 I HN 0.493 nan 8.210 nan 0.000 0.453 249 R N 5.199 125.856 120.500 0.261 0.000 2.357 249 R HA 0.434 4.774 4.340 -0.000 0.000 0.296 249 R C -0.390 176.122 176.300 0.353 0.000 1.052 249 R CA -0.645 55.615 56.100 0.266 0.000 0.988 249 R CB 0.477 30.883 30.300 0.175 0.000 1.025 249 R HN 0.417 nan 8.270 nan 0.000 0.469 250 Q N 0.559 120.479 119.800 0.199 0.000 2.453 250 Q HA -0.205 4.135 4.340 -0.000 0.000 0.330 250 Q C -1.532 174.381 176.000 -0.144 0.000 1.417 250 Q CA 1.043 56.865 55.803 0.032 0.000 0.902 250 Q CB -1.363 27.333 28.738 -0.069 0.000 1.154 250 Q HN 0.453 nan 8.270 nan 0.000 0.395 251 F N -1.567 118.411 119.950 0.047 0.000 2.591 251 F HA 0.743 5.270 4.527 -0.000 0.000 0.309 251 F C -0.119 175.707 175.800 0.044 0.000 1.098 251 F CA -1.057 56.969 58.000 0.044 0.000 0.937 251 F CB 1.862 40.891 39.000 0.049 0.000 1.250 251 F HN -0.158 nan 8.300 nan 0.000 0.447 252 V N 3.023 123.057 119.914 0.201 0.000 2.656 252 V HA 0.456 4.576 4.120 -0.000 0.000 0.307 252 V C -2.497 173.684 176.094 0.145 0.000 1.051 252 V CA -2.368 60.014 62.300 0.136 0.000 0.893 252 V CB 2.305 34.173 31.823 0.074 0.000 0.999 252 V HN 0.447 nan 8.190 nan 0.000 0.426 253 P HA 0.197 nan 4.420 nan 0.000 0.266 253 P C 0.845 178.204 177.300 0.099 0.000 1.215 253 P CA 0.162 63.331 63.100 0.114 0.000 0.763 253 P CB 0.426 32.188 31.700 0.104 0.000 0.806 254 I N 1.272 121.899 120.570 0.095 0.000 2.867 254 I HA 0.261 4.431 4.170 -0.000 0.000 0.265 254 I C 0.453 176.615 176.117 0.075 0.000 1.162 254 I CA 0.853 62.200 61.300 0.078 0.000 1.471 254 I CB 0.247 38.290 38.000 0.072 0.000 1.123 254 I HN 0.119 nan 8.210 nan 0.000 0.440 255 K N 0.874 121.322 120.400 0.079 0.000 2.589 255 K HA 0.439 4.759 4.320 -0.000 0.000 0.265 255 K C -1.763 174.887 176.600 0.083 0.000 0.935 255 K CA -0.605 55.731 56.287 0.082 0.000 0.850 255 K CB 2.857 35.398 32.500 0.067 0.000 1.372 255 K HN -0.024 nan 8.250 nan 0.000 0.420 256 V N 2.212 122.193 119.914 0.112 0.000 2.487 256 V HA 0.618 4.738 4.120 -0.000 0.000 0.298 256 V C -1.237 174.923 176.094 0.111 0.000 1.028 256 V CA -0.167 62.200 62.300 0.110 0.000 0.860 256 V CB 1.621 33.541 31.823 0.161 0.000 0.991 256 V HN 0.818 nan 8.190 nan 0.000 0.427 257 E N 4.279 124.470 120.200 -0.014 0.000 2.244 257 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 257 E C -1.192 175.192 176.600 -0.361 0.000 0.914 257 E CA -0.798 55.528 56.400 -0.125 0.000 0.794 257 E CB 2.505 32.160 29.700 -0.075 0.000 1.210 257 E HN 0.821 nan 8.360 nan 0.000 0.414 258 Q N 2.956 122.356 119.800 -0.667 0.000 2.389 258 Q HA 0.152 4.492 4.340 -0.000 0.000 0.244 258 Q C 0.115 175.925 176.000 -0.316 0.000 1.056 258 Q CA -0.049 55.336 55.803 -0.696 0.000 0.908 258 Q CB 0.324 28.430 28.738 -1.053 0.000 1.273 258 Q HN 0.693 nan 8.270 nan 0.000 0.471 259 I N 2.406 122.844 120.570 -0.219 0.000 2.546 259 I HA -0.071 4.099 4.170 -0.000 0.000 0.255 259 I C 0.568 176.614 176.117 -0.118 0.000 1.163 259 I CA 1.028 62.244 61.300 -0.140 0.000 1.457 259 I CB 0.160 38.092 38.000 -0.114 0.000 1.092 259 I HN 0.658 nan 8.210 nan 0.000 0.434 260 E N -1.001 119.121 120.200 -0.131 0.000 2.425 260 E HA 0.698 5.048 4.350 -0.000 0.000 0.272 260 E C -1.288 175.253 176.600 -0.099 0.000 1.061 260 E CA -0.773 55.569 56.400 -0.096 0.000 0.877 260 E CB 1.860 31.515 29.700 -0.075 0.000 1.590 260 E HN 0.014 nan 8.360 nan 0.000 0.462 261 A N -0.235 122.542 122.820 -0.071 0.000 2.486 261 A HA 1.007 5.327 4.320 -0.000 0.000 0.289 261 A C -0.377 177.158 177.584 -0.082 0.000 1.176 261 A CA -0.030 51.970 52.037 -0.062 0.000 0.757 261 A CB 1.941 20.926 19.000 -0.026 0.000 1.337 261 A HN 0.798 nan 8.150 nan 0.000 0.423 262 G N -1.840 106.892 108.800 -0.113 0.000 2.369 262 G HA2 0.475 4.435 3.960 -0.000 0.000 0.307 262 G HA3 0.475 4.435 3.960 -0.000 0.000 0.307 262 G C 0.353 175.073 174.900 -0.300 0.000 1.327 262 G CA 0.802 45.811 45.100 -0.152 0.000 0.963 262 G HN 1.644 nan 8.290 nan 0.000 0.590 263 T N -1.068 113.268 114.554 -0.364 0.000 2.523 263 T HA 0.109 4.459 4.350 -0.000 0.000 0.253 263 T C -1.634 172.487 174.700 -0.966 0.000 1.139 263 T CA 1.366 62.993 62.100 -0.789 0.000 1.230 263 T CB -1.090 67.553 68.868 -0.374 0.000 0.871 263 T HN 0.410 nan 8.240 nan 0.000 0.396 264 P HA 0.394 nan 4.420 nan 0.000 0.279 264 P C 0.249 177.452 177.300 -0.162 0.000 1.318 264 P CA -0.111 62.884 63.100 -0.174 0.000 0.819 264 P CB 0.769 32.466 31.700 -0.005 0.000 0.927 265 G N 3.554 112.261 108.800 -0.154 0.000 2.535 265 G HA2 0.370 4.330 3.960 -0.000 0.000 0.282 265 G HA3 0.370 4.330 3.960 -0.000 0.000 0.282 265 G C -0.550 174.317 174.900 -0.055 0.000 1.350 265 G CA -0.621 44.418 45.100 -0.101 0.000 1.039 265 G HN 0.354 nan 8.290 nan 0.000 0.509 266 R N -0.444 120.016 120.500 -0.067 0.000 2.472 266 R HA 0.304 4.644 4.340 -0.000 0.000 0.294 266 R C -1.356 174.890 176.300 -0.091 0.000 1.243 266 R CA -0.559 55.505 56.100 -0.060 0.000 1.023 266 R CB 1.063 31.323 30.300 -0.065 0.000 1.157 266 R HN 0.147 nan 8.270 nan 0.000 0.530 267 L N 2.009 123.195 121.223 -0.062 0.000 2.334 267 L HA 0.535 4.875 4.340 -0.000 0.000 0.275 267 L C 0.326 177.142 176.870 -0.090 0.000 1.036 267 L CA -0.551 54.232 54.840 -0.095 0.000 0.807 267 L CB 1.102 43.143 42.059 -0.031 0.000 1.231 267 L HN 0.365 nan 8.230 nan 0.000 0.438 268 R N 1.314 121.746 120.500 -0.114 0.000 2.393 268 R HA 0.789 5.129 4.340 -0.000 0.000 0.310 268 R C -1.671 174.584 176.300 -0.076 0.000 0.968 268 R CA -0.480 55.543 56.100 -0.127 0.000 0.867 268 R CB 1.463 31.693 30.300 -0.118 0.000 1.124 268 R HN 0.461 nan 8.270 nan 0.000 0.450 269 V N 4.835 124.690 119.914 -0.097 0.000 2.628 269 V HA 0.467 4.587 4.120 -0.000 0.000 0.306 269 V C -0.780 175.301 176.094 -0.022 0.000 1.045 269 V CA -0.746 61.552 62.300 -0.003 0.000 0.905 269 V CB 2.084 33.972 31.823 0.109 0.000 0.997 269 V HN 0.580 nan 8.190 nan 0.000 0.436 270 V N 3.885 123.813 119.914 0.022 0.000 2.443 270 V HA 0.867 4.987 4.120 -0.000 0.000 0.293 270 V C 0.050 176.189 176.094 0.074 0.000 1.021 270 V CA -0.204 62.113 62.300 0.028 0.000 0.848 270 V CB 1.580 33.415 31.823 0.021 0.000 0.998 270 V HN 1.048 nan 8.190 nan 0.000 0.424 271 A N 4.467 127.350 122.820 0.105 0.000 2.430 271 A HA 0.920 5.240 4.320 -0.000 0.000 0.300 271 A C -1.025 176.732 177.584 0.290 0.000 1.124 271 A CA -0.624 51.524 52.037 0.185 0.000 0.766 271 A CB 2.278 21.412 19.000 0.224 0.000 1.328 271 A HN 0.623 nan 8.150 nan 0.000 0.424 272 Q N 0.618 120.584 119.800 0.276 0.000 2.377 272 Q HA 0.513 4.853 4.340 -0.000 0.000 0.271 272 Q C -0.091 175.864 176.000 -0.074 0.000 1.077 272 Q CA -0.390 55.538 55.803 0.208 0.000 0.820 272 Q CB 2.070 30.858 28.738 0.083 0.000 1.347 272 Q HN 0.962 nan 8.270 nan 0.000 0.444 273 S N 1.096 116.529 115.700 -0.444 0.000 2.560 273 S HA 0.028 4.498 4.470 -0.000 0.000 0.276 273 S C 0.558 174.892 174.600 -0.443 0.000 1.350 273 S CA 0.829 58.456 58.200 -0.956 0.000 1.024 273 S CB 0.450 63.265 63.200 -0.642 0.000 0.864 273 S HN 0.701 nan 8.310 nan 0.000 0.536 274 T N 3.277 117.587 114.554 -0.407 0.000 3.014 274 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 274 T C 1.467 176.076 174.700 -0.152 0.000 1.060 274 T CA -0.132 61.849 62.100 -0.197 0.000 1.040 274 T CB -0.138 68.646 68.868 -0.140 0.000 0.971 274 T HN 0.511 nan 8.240 nan 0.000 0.497 275 N N 1.809 120.394 118.700 -0.190 0.000 2.288 275 N HA 0.077 4.817 4.740 -0.000 0.000 0.199 275 N C 1.648 177.102 175.510 -0.094 0.000 1.043 275 N CA 0.995 53.975 53.050 -0.116 0.000 0.947 275 N CB -0.198 38.227 38.487 -0.102 0.000 1.140 275 N HN 0.434 nan 8.380 nan 0.000 0.490 276 S N 0.655 116.295 115.700 -0.100 0.000 2.397 276 S HA 0.238 4.708 4.470 -0.000 0.000 0.261 276 S C 0.937 175.503 174.600 -0.056 0.000 1.187 276 S CA -0.200 57.966 58.200 -0.056 0.000 1.023 276 S CB 0.552 63.739 63.200 -0.021 0.000 1.103 276 S HN 0.128 nan 8.310 nan 0.000 0.474 277 E N 0.293 120.482 120.200 -0.018 0.000 2.431 277 E HA 0.229 4.579 4.350 -0.000 0.000 0.200 277 E C -0.071 176.548 176.600 0.032 0.000 0.995 277 E CA -0.052 56.348 56.400 -0.001 0.000 0.915 277 E CB -0.210 29.496 29.700 0.009 0.000 0.930 277 E HN 0.624 nan 8.360 nan 0.000 0.496 278 E N 0.843 121.078 120.200 0.058 0.000 2.812 278 E HA -0.111 4.239 4.350 -0.000 0.000 0.276 278 E C -0.141 176.588 176.600 0.215 0.000 0.946 278 E CA 0.838 57.326 56.400 0.147 0.000 0.971 278 E CB 0.445 30.295 29.700 0.249 0.000 0.960 278 E HN 0.089 nan 8.360 nan 0.000 0.479 279 I N 4.478 125.165 120.570 0.194 0.000 2.569 279 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 279 I C -0.128 176.060 176.117 0.119 0.000 1.088 279 I CA -0.624 60.787 61.300 0.184 0.000 1.047 279 I CB 1.305 39.365 38.000 0.099 0.000 1.237 279 I HN 0.369 nan 8.210 nan 0.000 0.421 280 I N 3.308 123.925 120.570 0.078 0.000 3.042 280 I HA 0.790 4.960 4.170 -0.000 0.000 0.310 280 I C -1.088 174.991 176.117 -0.063 0.000 1.117 280 I CA -0.597 60.670 61.300 -0.056 0.000 1.003 280 I CB 2.409 40.264 38.000 -0.242 0.000 1.228 280 I HN 0.648 nan 8.210 nan 0.000 0.443 281 E N 1.857 121.998 120.200 -0.099 0.000 2.430 281 E HA 0.861 5.211 4.350 -0.000 0.000 0.279 281 E C -1.108 175.370 176.600 -0.204 0.000 1.003 281 E CA -1.152 55.173 56.400 -0.125 0.000 0.801 281 E CB 2.352 31.995 29.700 -0.095 0.000 1.313 281 E HN 1.109 nan 8.360 nan 0.000 0.459 282 G N 0.586 109.187 108.800 -0.332 0.000 2.556 282 G HA2 0.284 4.244 3.960 -0.000 0.000 0.294 282 G HA3 0.284 4.244 3.960 -0.000 0.000 0.294 282 G C -1.511 172.962 174.900 -0.713 0.000 1.516 282 G CA -0.913 43.896 45.100 -0.485 0.000 0.824 282 G HN 0.469 nan 8.290 nan 0.000 0.535 283 E N 0.147 120.048 120.200 -0.500 0.000 2.360 283 E HA 0.387 4.737 4.350 -0.000 0.000 0.269 283 E C -1.094 175.286 176.600 -0.367 0.000 1.022 283 E CA 0.282 56.466 56.400 -0.359 0.000 0.887 283 E CB 1.127 30.727 29.700 -0.167 0.000 0.990 283 E HN 0.484 nan 8.360 nan 0.000 0.426 284 Y N 1.310 121.582 120.300 -0.046 0.000 2.479 284 Y HA 0.165 4.715 4.550 -0.000 0.000 0.338 284 Y C 1.009 176.887 175.900 -0.037 0.000 1.055 284 Y CA -1.138 56.937 58.100 -0.042 0.000 1.023 284 Y CB 1.582 40.018 38.460 -0.040 0.000 1.287 284 Y HN 0.475 nan 8.280 nan 0.000 0.447 285 N N 0.650 119.431 118.700 0.135 0.000 2.171 285 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 285 N C -0.065 175.490 175.510 0.075 0.000 1.021 285 N CA 1.189 54.278 53.050 0.065 0.000 0.854 285 N CB 0.322 38.832 38.487 0.038 0.000 0.994 285 N HN 0.516 nan 8.380 nan 0.000 0.426 286 T N 0.116 114.704 114.554 0.057 0.000 2.906 286 T HA 0.513 4.863 4.350 -0.000 0.000 0.295 286 T C -0.701 174.004 174.700 0.009 0.000 1.061 286 T CA -0.524 61.601 62.100 0.043 0.000 1.000 286 T CB 3.166 72.025 68.868 -0.016 0.000 1.103 286 T HN -0.326 nan 8.240 nan 0.000 0.486 287 V N 2.801 122.730 119.914 0.026 0.000 2.445 287 V HA 0.406 4.526 4.120 -0.000 0.000 0.283 287 V C -0.489 175.594 176.094 -0.018 0.000 1.014 287 V CA -0.665 61.637 62.300 0.003 0.000 0.852 287 V CB 1.440 33.312 31.823 0.082 0.000 1.021 287 V HN 0.911 nan 8.190 nan 0.000 0.435 288 M N 6.102 125.655 119.600 -0.079 0.000 2.144 288 M HA 0.560 5.040 4.480 -0.000 0.000 0.356 288 M C -1.223 175.014 176.300 -0.105 0.000 1.217 288 M CA -0.363 54.879 55.300 -0.098 0.000 1.087 288 M CB 0.916 33.436 32.600 -0.134 0.000 1.609 288 M HN 0.508 nan 8.290 nan 0.000 0.467 289 L N 5.969 127.115 121.223 -0.128 0.000 2.314 289 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 289 L C 0.015 176.791 176.870 -0.156 0.000 1.068 289 L CA -0.562 54.190 54.840 -0.146 0.000 0.894 289 L CB 0.711 42.640 42.059 -0.218 0.000 1.275 289 L HN 0.870 nan 8.230 nan 0.000 0.432 290 A N 5.234 127.987 122.820 -0.113 0.000 3.175 290 A HA 0.449 4.769 4.320 -0.000 0.000 0.289 290 A C 0.658 178.197 177.584 -0.075 0.000 1.429 290 A CA -0.354 51.622 52.037 -0.101 0.000 1.155 290 A CB -0.492 18.449 19.000 -0.098 0.000 1.169 290 A HN 0.804 nan 8.150 nan 0.000 0.574 291 I N -1.714 118.814 120.570 -0.071 0.000 3.637 291 I HA 0.623 4.793 4.170 -0.000 0.000 0.342 291 I C 0.461 176.565 176.117 -0.022 0.000 1.545 291 I CA 0.057 61.336 61.300 -0.035 0.000 1.126 291 I CB -0.088 37.900 38.000 -0.022 0.000 1.375 291 I HN 0.584 nan 8.210 nan 0.000 0.467 292 G N 1.964 110.744 108.800 -0.033 0.000 2.661 292 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.685 292 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.685 292 G C -0.934 173.968 174.900 0.002 0.000 1.298 292 G CA -0.999 44.094 45.100 -0.011 0.000 0.855 292 G HN 0.588 nan 8.290 nan 0.000 0.560 293 R N 0.036 120.553 120.500 0.027 0.000 2.744 293 R HA 0.618 4.958 4.340 -0.000 0.000 0.279 293 R C -1.638 174.701 176.300 0.064 0.000 0.977 293 R CA -1.100 55.031 56.100 0.051 0.000 0.906 293 R CB 2.188 32.524 30.300 0.060 0.000 1.197 293 R HN 0.483 nan 8.270 nan 0.000 0.463 294 D N 1.374 121.822 120.400 0.079 0.000 2.308 294 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 294 D C -0.174 176.177 176.300 0.085 0.000 1.059 294 D CA -0.382 53.665 54.000 0.079 0.000 0.830 294 D CB 2.063 42.914 40.800 0.084 0.000 1.161 294 D HN 0.616 nan 8.370 nan 0.000 0.494 295 A N 1.561 124.427 122.820 0.076 0.000 2.561 295 A HA 0.011 4.331 4.320 -0.000 0.000 0.234 295 A C 0.524 178.159 177.584 0.086 0.000 1.055 295 A CA -0.045 52.038 52.037 0.077 0.000 0.756 295 A CB 0.051 19.090 19.000 0.065 0.000 0.986 295 A HN 0.748 nan 8.150 nan 0.000 0.505 296 C N 2.944 122.298 119.300 0.091 0.000 2.700 296 C HA 0.371 4.831 4.460 -0.000 0.000 0.529 296 C C 1.744 176.788 174.990 0.089 0.000 1.093 296 C CA 0.291 59.371 59.018 0.102 0.000 1.320 296 C CB -2.134 25.669 27.740 0.105 0.000 1.478 296 C HN 0.932 nan 8.230 nan 0.000 0.598 297 T N -2.581 112.025 114.554 0.087 0.000 3.004 297 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 297 T C 1.709 176.462 174.700 0.088 0.000 0.986 297 T CA -0.259 61.891 62.100 0.083 0.000 0.902 297 T CB 0.094 69.003 68.868 0.067 0.000 1.118 297 T HN 0.536 nan 8.240 nan 0.000 0.522 298 R N 2.545 123.099 120.500 0.090 0.000 2.060 298 R HA 0.153 4.493 4.340 -0.000 0.000 0.225 298 R C 0.882 177.242 176.300 0.100 0.000 1.155 298 R CA 0.744 56.894 56.100 0.083 0.000 0.930 298 R CB -0.547 29.798 30.300 0.074 0.000 0.829 298 R HN 0.309 nan 8.270 nan 0.000 0.433 299 K N 2.148 122.623 120.400 0.124 0.000 3.006 299 K HA 0.154 4.474 4.320 -0.000 0.000 0.265 299 K C 0.942 177.672 176.600 0.218 0.000 1.279 299 K CA 0.117 56.491 56.287 0.145 0.000 1.229 299 K CB -0.184 32.395 32.500 0.131 0.000 1.555 299 K HN 0.459 nan 8.250 nan 0.000 0.300 300 I N -4.263 116.414 120.570 0.180 0.000 4.219 300 I HA 0.288 4.458 4.170 -0.000 0.000 0.329 300 I C 0.489 176.723 176.117 0.195 0.000 1.427 300 I CA -0.573 60.839 61.300 0.185 0.000 1.151 300 I CB 0.790 38.857 38.000 0.113 0.000 1.369 300 I HN 0.252 nan 8.210 nan 0.000 0.521 301 G N 2.730 111.633 108.800 0.171 0.000 2.295 301 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.287 301 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.287 301 G C 0.467 175.483 174.900 0.193 0.000 1.055 301 G CA 0.552 45.753 45.100 0.169 0.000 0.922 301 G HN 0.500 nan 8.290 nan 0.000 0.503 302 L N -0.863 120.448 121.223 0.148 0.000 2.362 302 L HA -0.029 4.311 4.340 -0.000 0.000 0.219 302 L C 2.652 179.503 176.870 -0.032 0.000 1.134 302 L CA 1.729 56.610 54.840 0.068 0.000 0.807 302 L CB -0.160 41.933 42.059 0.056 0.000 0.927 302 L HN 0.500 nan 8.230 nan 0.000 0.447 303 E N -0.689 119.514 120.200 0.004 0.000 2.028 303 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 303 E C 2.077 178.656 176.600 -0.035 0.000 0.988 303 E CA 1.644 58.034 56.400 -0.016 0.000 0.799 303 E CB -0.984 28.721 29.700 0.007 0.000 0.755 303 E HN 0.415 nan 8.360 nan 0.000 0.447 304 T N -0.804 113.746 114.554 -0.007 0.000 2.896 304 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 304 T C 1.642 176.300 174.700 -0.069 0.000 1.104 304 T CA 1.510 63.606 62.100 -0.007 0.000 1.115 304 T CB -0.542 68.355 68.868 0.049 0.000 0.843 304 T HN 0.192 nan 8.240 nan 0.000 0.523 305 V N -3.912 115.894 119.914 -0.181 0.000 3.502 305 V HA 0.680 4.800 4.120 -0.000 0.000 0.288 305 V C 1.380 177.336 176.094 -0.229 0.000 1.461 305 V CA -0.128 62.006 62.300 -0.277 0.000 1.029 305 V CB -0.650 30.743 31.823 -0.716 0.000 0.843 305 V HN 0.703 nan 8.190 nan 0.000 0.438 306 G N 1.164 109.862 108.800 -0.170 0.000 2.353 306 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.294 306 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.294 306 G C -0.265 174.540 174.900 -0.158 0.000 1.077 306 G CA 0.255 45.278 45.100 -0.127 0.000 1.098 306 G HN 0.854 nan 8.290 nan 0.000 0.511 307 V N 1.705 121.518 119.914 -0.169 0.000 2.370 307 V HA 0.471 4.591 4.120 -0.000 0.000 0.283 307 V C 0.801 176.840 176.094 -0.091 0.000 1.023 307 V CA -0.357 61.848 62.300 -0.160 0.000 0.857 307 V CB 1.664 33.376 31.823 -0.185 0.000 0.985 307 V HN 0.733 nan 8.190 nan 0.000 0.443 308 K N 6.687 127.039 120.400 -0.079 0.000 2.249 308 K HA 0.721 5.041 4.320 -0.000 0.000 0.280 308 K C -0.568 176.010 176.600 -0.038 0.000 1.033 308 K CA -0.341 55.916 56.287 -0.051 0.000 0.946 308 K CB 1.445 33.917 32.500 -0.047 0.000 1.005 308 K HN 0.736 nan 8.250 nan 0.000 0.469 309 I N -0.764 119.794 120.570 -0.021 0.000 2.865 309 I HA 0.305 4.475 4.170 -0.000 0.000 0.302 309 I C -0.891 175.224 176.117 -0.004 0.000 1.140 309 I CA -1.093 60.201 61.300 -0.009 0.000 1.021 309 I CB 2.136 40.139 38.000 0.005 0.000 1.233 309 I HN 0.686 nan 8.210 nan 0.000 0.427 310 N N 4.271 122.970 118.700 -0.002 0.000 2.543 310 N HA -0.050 4.690 4.740 -0.000 0.000 0.289 310 N C 0.793 176.308 175.510 0.008 0.000 1.223 310 N CA 0.341 53.392 53.050 0.001 0.000 1.080 310 N CB 0.310 38.798 38.487 0.002 0.000 1.450 310 N HN 0.631 nan 8.380 nan 0.000 0.501 311 E N 1.912 122.117 120.200 0.007 0.000 2.324 311 E HA -0.273 4.077 4.350 -0.000 0.000 0.205 311 E C 1.285 177.895 176.600 0.017 0.000 1.031 311 E CA 1.073 57.481 56.400 0.012 0.000 0.836 311 E CB 0.197 29.903 29.700 0.009 0.000 0.742 311 E HN 0.685 nan 8.360 nan 0.000 0.491 312 K N 0.059 120.467 120.400 0.015 0.000 2.029 312 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 312 K C 2.184 178.797 176.600 0.023 0.000 1.042 312 K CA 1.670 57.967 56.287 0.017 0.000 0.949 312 K CB -0.015 32.493 32.500 0.014 0.000 0.740 312 K HN 0.184 nan 8.250 nan 0.000 0.442 313 T N -3.092 111.475 114.554 0.021 0.000 2.985 313 T HA 0.157 4.507 4.350 -0.000 0.000 0.266 313 T C 1.527 176.246 174.700 0.033 0.000 1.076 313 T CA 0.998 63.113 62.100 0.026 0.000 1.135 313 T CB 0.122 69.003 68.868 0.022 0.000 0.890 313 T HN 0.502 nan 8.240 nan 0.000 0.480 314 G N 1.538 110.357 108.800 0.031 0.000 2.258 314 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.233 314 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.233 314 G C 0.239 175.161 174.900 0.036 0.000 1.006 314 G CA -0.021 45.101 45.100 0.038 0.000 0.620 314 G HN 0.627 nan 8.290 nan 0.000 0.511 315 K N 0.630 121.048 120.400 0.030 0.000 2.286 315 K HA 0.466 4.786 4.320 -0.000 0.000 0.256 315 K C 0.433 177.043 176.600 0.016 0.000 0.999 315 K CA 0.046 56.348 56.287 0.026 0.000 0.908 315 K CB 0.795 33.306 32.500 0.019 0.000 0.981 315 K HN 0.407 nan 8.250 nan 0.000 0.500 316 I N 2.844 123.422 120.570 0.014 0.000 2.355 316 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 316 I C -2.235 173.874 176.117 -0.014 0.000 0.999 316 I CA -2.474 58.827 61.300 0.002 0.000 1.163 316 I CB 1.755 39.763 38.000 0.012 0.000 1.316 316 I HN 0.172 nan 8.210 nan 0.000 0.454 317 P HA 0.137 nan 4.420 nan 0.000 0.268 317 P C -0.789 176.484 177.300 -0.045 0.000 1.205 317 P CA 0.003 63.080 63.100 -0.038 0.000 0.771 317 P CB 1.034 32.711 31.700 -0.038 0.000 0.858 318 V N 1.622 121.504 119.914 -0.052 0.000 3.012 318 V HA 0.379 4.499 4.120 -0.000 0.000 0.307 318 V C 0.211 176.275 176.094 -0.050 0.000 1.166 318 V CA -0.462 61.809 62.300 -0.047 0.000 0.974 318 V CB 2.435 34.243 31.823 -0.024 0.000 1.040 318 V HN 0.722 nan 8.190 nan 0.000 0.428 319 T N 0.324 114.857 114.554 -0.035 0.000 2.667 319 T HA 0.103 4.453 4.350 -0.000 0.000 0.305 319 T C 0.780 175.472 174.700 -0.014 0.000 1.022 319 T CA 0.537 62.622 62.100 -0.024 0.000 0.995 319 T CB 0.406 69.267 68.868 -0.011 0.000 1.026 319 T HN 0.879 nan 8.240 nan 0.000 0.527 320 D N -1.139 119.258 120.400 -0.006 0.000 2.348 320 D HA -0.004 4.636 4.640 -0.000 0.000 0.248 320 D C 0.765 177.099 176.300 0.056 0.000 1.142 320 D CA 0.313 54.318 54.000 0.008 0.000 0.904 320 D CB -0.304 40.503 40.800 0.012 0.000 0.901 320 D HN 0.824 nan 8.370 nan 0.000 0.523 321 E N -0.153 120.088 120.200 0.068 0.000 2.758 321 E HA 0.066 4.416 4.350 -0.000 0.000 0.215 321 E C -0.492 176.200 176.600 0.154 0.000 0.985 321 E CA -0.230 56.230 56.400 0.099 0.000 1.102 321 E CB 0.410 30.167 29.700 0.095 0.000 1.042 321 E HN 0.022 nan 8.360 nan 0.000 0.480 322 E N 0.864 121.144 120.200 0.134 0.000 2.791 322 E HA -0.244 4.106 4.350 -0.000 0.000 0.271 322 E C -0.218 176.531 176.600 0.250 0.000 1.044 322 E CA 0.729 57.227 56.400 0.163 0.000 0.814 322 E CB -1.346 28.459 29.700 0.176 0.000 1.400 322 E HN 0.325 nan 8.360 nan 0.000 0.423 323 Q N 0.752 120.642 119.800 0.150 0.000 2.241 323 Q HA 0.438 4.778 4.340 -0.000 0.000 0.254 323 Q C 0.474 176.373 176.000 -0.169 0.000 0.917 323 Q CA 0.060 55.800 55.803 -0.106 0.000 0.919 323 Q CB 0.975 29.628 28.738 -0.142 0.000 1.237 323 Q HN 0.283 nan 8.270 nan 0.000 0.434 324 T N 0.324 114.715 114.554 -0.272 0.000 2.793 324 T HA 0.097 4.447 4.350 -0.000 0.000 0.299 324 T C 0.986 175.562 174.700 -0.208 0.000 1.038 324 T CA 0.194 62.175 62.100 -0.199 0.000 0.948 324 T CB 0.239 68.983 68.868 -0.206 0.000 1.231 324 T HN 0.812 nan 8.240 nan 0.000 0.538 325 N N -0.735 117.864 118.700 -0.169 0.000 2.381 325 N HA -0.024 4.716 4.740 -0.000 0.000 0.182 325 N C 0.129 175.532 175.510 -0.178 0.000 1.025 325 N CA 0.293 53.257 53.050 -0.143 0.000 0.888 325 N CB -0.471 37.950 38.487 -0.110 0.000 0.965 325 N HN 0.364 nan 8.380 nan 0.000 0.438 326 V N 1.853 121.607 119.914 -0.267 0.000 2.334 326 V HA 0.205 4.325 4.120 -0.000 0.000 0.267 326 V C -1.414 174.432 176.094 -0.413 0.000 1.040 326 V CA -1.462 60.631 62.300 -0.344 0.000 0.866 326 V CB 1.267 32.764 31.823 -0.543 0.000 1.019 326 V HN 0.007 nan 8.190 nan 0.000 0.468 327 P HA -0.202 nan 4.420 nan 0.000 0.218 327 P C 0.910 178.115 177.300 -0.158 0.000 1.147 327 P CA 1.681 64.679 63.100 -0.169 0.000 0.827 327 P CB -0.046 31.658 31.700 0.007 0.000 0.778 328 Y N -3.123 117.088 120.300 -0.148 0.000 2.458 328 Y HA 0.445 4.995 4.550 0.000 0.000 0.256 328 Y C 0.426 176.318 175.900 -0.014 0.000 1.159 328 Y CA -0.911 57.161 58.100 -0.047 0.000 1.261 328 Y CB -0.530 37.875 38.460 -0.091 0.000 1.119 328 Y HN -0.195 nan 8.280 nan 0.000 0.524 329 I N 1.404 121.635 120.570 -0.564 0.000 2.406 329 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 329 I C -1.248 174.659 176.117 -0.350 0.000 0.999 329 I CA -0.932 60.173 61.300 -0.325 0.000 1.124 329 I CB 1.296 38.979 38.000 -0.527 0.000 1.289 329 I HN -0.035 nan 8.210 nan 0.000 0.441 330 Y N 3.856 124.166 120.300 0.016 0.000 2.630 330 Y HA 0.823 5.373 4.550 -0.000 0.000 0.337 330 Y C 0.179 176.103 175.900 0.041 0.000 1.051 330 Y CA -0.985 57.123 58.100 0.014 0.000 1.121 330 Y CB 2.041 40.512 38.460 0.020 0.000 1.299 330 Y HN 0.559 nan 8.280 nan 0.000 0.498 331 A N 1.522 124.462 122.820 0.200 0.000 2.449 331 A HA 0.836 5.156 4.320 -0.000 0.000 0.302 331 A C -1.789 175.870 177.584 0.126 0.000 1.048 331 A CA -0.533 51.584 52.037 0.133 0.000 0.708 331 A CB 1.225 20.274 19.000 0.082 0.000 1.274 331 A HN 0.579 nan 8.150 nan 0.000 0.410 332 I N 0.269 120.903 120.570 0.106 0.000 2.969 332 I HA 0.764 4.934 4.170 -0.000 0.000 0.307 332 I C 0.686 176.858 176.117 0.091 0.000 1.149 332 I CA 1.055 62.416 61.300 0.103 0.000 1.008 332 I CB 2.214 40.262 38.000 0.081 0.000 1.232 332 I HN 1.812 nan 8.210 nan 0.000 0.435 333 G N 3.767 112.630 108.800 0.104 0.000 2.642 333 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 333 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 333 G C 0.297 175.255 174.900 0.096 0.000 1.338 333 G CA 0.203 45.357 45.100 0.091 0.000 0.883 333 G HN 0.600 nan 8.290 nan 0.000 0.570 334 D N 0.168 120.619 120.400 0.085 0.000 2.157 334 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 334 D C 2.555 178.901 176.300 0.076 0.000 1.004 334 D CA 2.180 56.231 54.000 0.086 0.000 0.854 334 D CB -0.408 40.443 40.800 0.085 0.000 0.936 334 D HN 0.862 nan 8.370 nan 0.000 0.446 335 I N -1.520 119.092 120.570 0.070 0.000 2.657 335 I HA -0.154 4.016 4.170 -0.000 0.000 0.261 335 I C 0.710 176.857 176.117 0.050 0.000 1.212 335 I CA 0.103 61.440 61.300 0.061 0.000 1.453 335 I CB -0.452 37.585 38.000 0.062 0.000 1.092 335 I HN -0.120 nan 8.210 nan 0.000 0.452 336 L N 1.791 123.046 121.223 0.053 0.000 2.482 336 L HA 0.084 4.424 4.340 -0.000 0.000 0.273 336 L C 0.557 177.433 176.870 0.010 0.000 1.228 336 L CA 0.659 55.516 54.840 0.029 0.000 0.827 336 L CB 0.004 42.084 42.059 0.035 0.000 1.099 336 L HN 0.324 nan 8.230 nan 0.000 0.494 337 E N 1.612 121.801 120.200 -0.019 0.000 2.204 337 E HA 0.116 4.466 4.350 -0.000 0.000 0.276 337 E C -0.860 175.708 176.600 -0.054 0.000 0.974 337 E CA -0.613 55.773 56.400 -0.024 0.000 0.815 337 E CB 0.670 30.356 29.700 -0.024 0.000 1.119 337 E HN 0.552 nan 8.360 nan 0.000 0.393 338 D N 3.096 123.474 120.400 -0.037 0.000 2.904 338 D HA -0.169 4.471 4.640 -0.000 0.000 0.231 338 D C -0.595 175.652 176.300 -0.088 0.000 1.185 338 D CA 1.094 55.065 54.000 -0.049 0.000 0.783 338 D CB -0.185 40.582 40.800 -0.056 0.000 0.961 338 D HN 0.387 nan 8.370 nan 0.000 0.409 339 K N -0.997 119.377 120.400 -0.044 0.000 2.128 339 K HA 0.569 4.889 4.320 -0.000 0.000 0.254 339 K C -0.731 175.925 176.600 0.094 0.000 0.872 339 K CA -0.581 55.696 56.287 -0.017 0.000 0.733 339 K CB 1.018 33.481 32.500 -0.061 0.000 1.521 339 K HN 0.011 nan 8.250 nan 0.000 0.406 340 V N 1.929 121.961 119.914 0.196 0.000 2.407 340 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 340 V C -1.150 175.023 176.094 0.133 0.000 1.018 340 V CA -0.449 61.934 62.300 0.138 0.000 0.842 340 V CB 1.234 33.128 31.823 0.118 0.000 0.996 340 V HN 0.557 nan 8.190 nan 0.000 0.426 341 E N 7.082 127.353 120.200 0.119 0.000 1.858 341 E HA 0.398 4.748 4.350 -0.000 0.000 0.278 341 E C -0.706 175.970 176.600 0.126 0.000 1.172 341 E CA 0.540 57.016 56.400 0.126 0.000 1.127 341 E CB -0.156 29.629 29.700 0.141 0.000 1.084 341 E HN 0.641 nan 8.360 nan 0.000 0.455 342 L N 0.770 122.047 121.223 0.090 0.000 2.431 342 L HA 0.258 4.598 4.340 -0.000 0.000 0.266 342 L C 1.261 178.153 176.870 0.036 0.000 0.978 342 L CA -0.624 54.253 54.840 0.062 0.000 0.822 342 L CB 2.121 44.198 42.059 0.030 0.000 1.310 342 L HN 0.222 nan 8.230 nan 0.000 0.409 343 T N 1.546 116.118 114.554 0.029 0.000 2.624 343 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 343 T C -1.079 173.616 174.700 -0.009 0.000 1.041 343 T CA 1.931 64.035 62.100 0.007 0.000 1.159 343 T CB -0.583 68.283 68.868 -0.003 0.000 0.863 343 T HN 0.488 nan 8.240 nan 0.000 0.434 344 P HA -0.066 nan 4.420 nan 0.000 0.218 344 P C 1.804 179.071 177.300 -0.055 0.000 1.148 344 P CA 0.836 63.917 63.100 -0.032 0.000 0.822 344 P CB -0.322 31.358 31.700 -0.034 0.000 0.784 345 V N -2.429 117.449 119.914 -0.060 0.000 2.488 345 V HA -0.057 4.063 4.120 -0.000 0.000 0.246 345 V C 2.154 178.199 176.094 -0.082 0.000 1.046 345 V CA 1.704 63.934 62.300 -0.116 0.000 1.053 345 V CB -1.796 29.947 31.823 -0.132 0.000 0.679 345 V HN 0.035 nan 8.190 nan 0.000 0.458 346 A N 2.010 124.817 122.820 -0.021 0.000 1.908 346 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 346 A C 2.257 179.833 177.584 -0.014 0.000 1.181 346 A CA 2.343 54.383 52.037 0.004 0.000 0.627 346 A CB -0.804 18.206 19.000 0.016 0.000 0.818 346 A HN 0.940 nan 8.150 nan 0.000 0.445 347 I N -3.457 117.098 120.570 -0.025 0.000 2.394 347 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 347 I C 2.194 178.290 176.117 -0.035 0.000 1.136 347 I CA 1.683 62.969 61.300 -0.023 0.000 1.425 347 I CB -0.586 37.402 38.000 -0.019 0.000 1.079 347 I HN 0.225 nan 8.210 nan 0.000 0.425 348 Q N 1.672 121.433 119.800 -0.064 0.000 2.016 348 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 348 Q C 2.585 178.540 176.000 -0.074 0.000 0.978 348 Q CA 2.074 57.827 55.803 -0.082 0.000 0.833 348 Q CB -0.309 28.349 28.738 -0.134 0.000 0.895 348 Q HN 0.712 nan 8.270 nan 0.000 0.427 349 A N 0.893 123.665 122.820 -0.080 0.000 1.892 349 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 349 A C 2.315 179.893 177.584 -0.009 0.000 1.188 349 A CA 2.071 54.095 52.037 -0.022 0.000 0.631 349 A CB -1.290 17.739 19.000 0.049 0.000 0.822 349 A HN 0.490 nan 8.150 nan 0.000 0.447 350 G N -0.675 108.121 108.800 -0.007 0.000 2.459 350 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 350 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 350 G C 1.770 176.663 174.900 -0.011 0.000 1.183 350 G CA 0.962 46.058 45.100 -0.005 0.000 0.776 350 G HN 0.577 nan 8.290 nan 0.000 0.552 351 R N -0.285 120.209 120.500 -0.009 0.000 2.092 351 R HA 0.139 4.479 4.340 -0.000 0.000 0.231 351 R C 2.636 178.929 176.300 -0.012 0.000 1.119 351 R CA 0.702 56.804 56.100 0.004 0.000 0.970 351 R CB -0.423 29.879 30.300 0.003 0.000 0.864 351 R HN 0.329 nan 8.270 nan 0.000 0.440 352 L N 0.484 121.687 121.223 -0.033 0.000 2.131 352 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 352 L C 2.379 179.200 176.870 -0.081 0.000 1.087 352 L CA 0.353 55.163 54.840 -0.049 0.000 0.767 352 L CB -0.347 41.685 42.059 -0.045 0.000 0.917 352 L HN 0.166 nan 8.230 nan 0.000 0.441 353 L N 0.521 121.692 121.223 -0.087 0.000 2.012 353 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 353 L C 2.623 179.353 176.870 -0.234 0.000 1.073 353 L CA 2.173 56.916 54.840 -0.162 0.000 0.748 353 L CB -0.790 41.174 42.059 -0.157 0.000 0.891 353 L HN 0.140 nan 8.230 nan 0.000 0.431 354 A N -1.086 121.647 122.820 -0.144 0.000 1.877 354 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 354 A C 2.223 179.684 177.584 -0.206 0.000 1.186 354 A CA 1.913 53.890 52.037 -0.100 0.000 0.620 354 A CB -0.713 18.330 19.000 0.072 0.000 0.822 354 A HN 0.674 nan 8.150 nan 0.000 0.443 355 Q N -0.846 118.852 119.800 -0.169 0.000 2.135 355 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 355 Q C 2.395 178.245 176.000 -0.249 0.000 0.981 355 Q CA 1.570 57.235 55.803 -0.230 0.000 0.856 355 Q CB -0.159 28.520 28.738 -0.099 0.000 0.902 355 Q HN 0.617 nan 8.270 nan 0.000 0.425 356 R N 0.057 120.423 120.500 -0.224 0.000 2.062 356 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 356 R C 2.316 178.435 176.300 -0.303 0.000 1.128 356 R CA 0.921 56.896 56.100 -0.209 0.000 0.960 356 R CB -0.228 29.974 30.300 -0.164 0.000 0.855 356 R HN 0.253 nan 8.270 nan 0.000 0.432 357 L N -0.560 120.368 121.223 -0.492 0.000 2.141 357 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 357 L C 0.781 177.141 176.870 -0.849 0.000 1.094 357 L CA 1.209 55.581 54.840 -0.781 0.000 0.763 357 L CB -0.035 41.264 42.059 -1.265 0.000 0.908 357 L HN 0.239 nan 8.230 nan 0.000 0.437 358 Y N -1.735 118.416 120.300 -0.247 0.000 2.715 358 Y HA 0.528 5.078 4.550 0.000 0.000 0.255 358 Y C 0.730 176.361 175.900 -0.448 0.000 1.139 358 Y CA -0.163 57.767 58.100 -0.283 0.000 1.151 358 Y CB 0.330 38.635 38.460 -0.258 0.000 1.201 358 Y HN -0.002 nan 8.280 nan 0.000 0.556 359 A N -0.939 121.713 122.820 -0.280 0.000 2.653 359 A HA 0.515 4.835 4.320 -0.000 0.000 0.231 359 A C 1.492 179.007 177.584 -0.115 0.000 1.146 359 A CA 0.163 52.058 52.037 -0.237 0.000 1.024 359 A CB -0.545 18.208 19.000 -0.412 0.000 1.202 359 A HN 0.643 nan 8.150 nan 0.000 0.543 360 G N 0.462 109.196 108.800 -0.110 0.000 2.225 360 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.267 360 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.267 360 G C 0.396 175.258 174.900 -0.064 0.000 1.024 360 G CA 0.949 46.008 45.100 -0.069 0.000 0.784 360 G HN 1.625 nan 8.290 nan 0.000 0.507 361 S N -0.465 115.182 115.700 -0.088 0.000 2.548 361 S HA 0.535 5.005 4.470 -0.000 0.000 0.277 361 S C 1.564 176.131 174.600 -0.056 0.000 1.315 361 S CA 0.903 59.064 58.200 -0.064 0.000 1.050 361 S CB 0.838 63.993 63.200 -0.075 0.000 0.918 361 S HN 1.167 nan 8.310 nan 0.000 0.497 362 T N 1.647 116.180 114.554 -0.035 0.000 3.134 362 T HA 0.289 4.639 4.350 -0.000 0.000 0.260 362 T C 0.067 174.756 174.700 -0.019 0.000 1.027 362 T CA -0.366 61.718 62.100 -0.025 0.000 0.913 362 T CB -0.245 68.614 68.868 -0.016 0.000 1.046 362 T HN 0.311 nan 8.240 nan 0.000 0.553 363 V N 2.625 122.525 119.914 -0.024 0.000 2.530 363 V HA 0.347 4.467 4.120 -0.000 0.000 0.282 363 V C 0.192 176.278 176.094 -0.012 0.000 1.048 363 V CA -0.608 61.681 62.300 -0.017 0.000 0.997 363 V CB 0.777 32.587 31.823 -0.022 0.000 0.987 363 V HN 0.449 nan 8.190 nan 0.000 0.477 364 K N 2.986 123.388 120.400 0.004 0.000 2.123 364 K HA 0.518 4.838 4.320 -0.000 0.000 0.248 364 K C -0.524 176.093 176.600 0.027 0.000 0.969 364 K CA -0.615 55.689 56.287 0.028 0.000 0.882 364 K CB 1.587 34.116 32.500 0.048 0.000 1.080 364 K HN 0.643 nan 8.250 nan 0.000 0.441 365 C N 2.040 121.376 119.300 0.059 0.000 2.576 365 C HA 0.111 4.571 4.460 -0.000 0.000 0.401 365 C C -0.074 174.930 174.990 0.024 0.000 1.314 365 C CA -0.216 58.783 59.018 -0.031 0.000 1.855 365 C CB -0.761 26.916 27.740 -0.105 0.000 2.537 365 C HN 0.673 nan 8.230 nan 0.000 0.578 366 D N 4.229 124.586 120.400 -0.072 0.000 2.411 366 D HA 0.198 4.838 4.640 -0.000 0.000 0.225 366 D C -0.134 176.145 176.300 -0.034 0.000 1.156 366 D CA -0.136 53.873 54.000 0.016 0.000 0.874 366 D CB 0.225 41.020 40.800 -0.009 0.000 1.034 366 D HN 0.673 nan 8.370 nan 0.000 0.502 367 Y N 1.481 121.780 120.300 -0.002 0.000 2.470 367 Y HA 0.141 4.691 4.550 -0.000 0.000 0.302 367 Y C 0.627 176.526 175.900 -0.001 0.000 1.194 367 Y CA -0.140 57.959 58.100 -0.001 0.000 1.271 367 Y CB 0.068 38.529 38.460 0.003 0.000 1.092 367 Y HN 0.165 nan 8.280 nan 0.000 0.513 368 E N 0.928 121.200 120.200 0.119 0.000 2.197 368 E HA 0.151 4.501 4.350 -0.000 0.000 0.281 368 E C 0.146 176.768 176.600 0.038 0.000 0.995 368 E CA -0.309 56.137 56.400 0.077 0.000 0.808 368 E CB 0.584 30.324 29.700 0.066 0.000 1.093 368 E HN 0.239 nan 8.360 nan 0.000 0.394 369 N N 0.430 119.151 118.700 0.035 0.000 2.735 369 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 369 N C -0.541 174.960 175.510 -0.014 0.000 1.083 369 N CA 0.397 53.454 53.050 0.012 0.000 0.703 369 N CB -1.367 37.122 38.487 0.004 0.000 1.005 369 N HN 0.166 nan 8.380 nan 0.000 0.550 370 V N 2.262 122.172 119.914 -0.006 0.000 2.450 370 V HA 0.111 4.231 4.120 -0.000 0.000 0.281 370 V C -0.999 175.072 176.094 -0.038 0.000 1.019 370 V CA -0.696 61.587 62.300 -0.029 0.000 1.062 370 V CB 0.568 32.381 31.823 -0.016 0.000 0.979 370 V HN 0.146 nan 8.190 nan 0.000 0.477 371 P HA 0.219 nan 4.420 nan 0.000 0.269 371 P C -0.289 176.966 177.300 -0.076 0.000 1.215 371 P CA 0.112 63.163 63.100 -0.082 0.000 0.780 371 P CB 1.198 32.833 31.700 -0.108 0.000 0.898 372 T N -0.612 113.881 114.554 -0.102 0.000 2.840 372 T HA 0.549 4.899 4.350 -0.000 0.000 0.317 372 T C -1.720 172.834 174.700 -0.243 0.000 1.401 372 T CA -0.386 61.639 62.100 -0.124 0.000 1.028 372 T CB 1.381 70.218 68.868 -0.051 0.000 1.317 372 T HN 0.683 nan 8.240 nan 0.000 0.495 373 T N 1.716 116.077 114.554 -0.322 0.000 3.237 373 T HA 0.543 4.893 4.350 -0.000 0.000 0.319 373 T C -1.284 173.002 174.700 -0.690 0.000 1.037 373 T CA -0.476 61.303 62.100 -0.535 0.000 1.048 373 T CB 0.928 69.473 68.868 -0.539 0.000 1.081 373 T HN 0.511 nan 8.240 nan 0.000 0.455 374 V N 5.954 125.507 119.914 -0.602 0.000 2.461 374 V HA 0.378 4.498 4.120 -0.000 0.000 0.275 374 V C 0.126 175.958 176.094 -0.437 0.000 1.047 374 V CA -0.356 61.702 62.300 -0.404 0.000 0.955 374 V CB 0.233 31.909 31.823 -0.245 0.000 0.988 374 V HN 0.910 nan 8.190 nan 0.000 0.471 375 F N 3.586 123.471 119.950 -0.109 0.000 2.833 375 F HA 0.165 4.692 4.527 0.000 0.000 0.327 375 F C 1.563 177.149 175.800 -0.357 0.000 1.184 375 F CA -0.504 57.328 58.000 -0.280 0.000 1.328 375 F CB -0.529 38.241 39.000 -0.385 0.000 1.440 375 F HN 0.586 nan 8.300 nan 0.000 0.569 376 T N -2.541 111.994 114.554 -0.031 0.000 2.698 376 T HA 0.117 4.467 4.350 -0.000 0.000 0.295 376 T C -1.466 173.310 174.700 0.127 0.000 1.007 376 T CA -1.522 60.612 62.100 0.057 0.000 0.980 376 T CB 0.616 69.535 68.868 0.085 0.000 1.036 376 T HN -0.038 nan 8.240 nan 0.000 0.526 377 P HA -0.007 nan 4.420 nan 0.000 0.216 377 P C 0.191 177.589 177.300 0.164 0.000 1.150 377 P CA 0.697 63.945 63.100 0.247 0.000 0.843 377 P CB 0.023 31.849 31.700 0.211 0.000 0.787 378 L N 0.205 121.441 121.223 0.021 0.000 2.313 378 L HA 0.231 4.571 4.340 -0.000 0.000 0.273 378 L C -0.072 176.830 176.870 0.053 0.000 1.028 378 L CA -0.764 54.027 54.840 -0.082 0.000 0.871 378 L CB 0.038 41.823 42.059 -0.458 0.000 1.242 378 L HN -0.153 nan 8.230 nan 0.000 0.434 379 E N 2.938 123.215 120.200 0.127 0.000 2.481 379 E HA -0.083 4.267 4.350 -0.000 0.000 0.263 379 E C -1.334 175.333 176.600 0.112 0.000 0.992 379 E CA 0.679 57.118 56.400 0.065 0.000 0.938 379 E CB 0.504 30.254 29.700 0.084 0.000 0.933 379 E HN 0.415 nan 8.360 nan 0.000 0.453 380 Y N 1.903 122.121 120.300 -0.137 0.000 2.332 380 Y HA 0.475 5.025 4.550 0.000 0.000 0.326 380 Y C -0.278 175.549 175.900 -0.122 0.000 0.978 380 Y CA -1.074 56.978 58.100 -0.079 0.000 1.205 380 Y CB 1.012 39.416 38.460 -0.092 0.000 1.131 380 Y HN 0.459 nan 8.280 nan 0.000 0.462 381 G N 3.177 111.884 108.800 -0.155 0.000 2.389 381 G HA2 0.792 4.752 3.960 -0.000 0.000 0.328 381 G HA3 0.792 4.752 3.960 -0.000 0.000 0.328 381 G C -1.512 173.197 174.900 -0.320 0.000 1.133 381 G CA -0.304 44.627 45.100 -0.283 0.000 0.891 381 G HN 1.088 nan 8.290 nan 0.000 0.485 382 A N -0.594 122.045 122.820 -0.303 0.000 2.608 382 A HA 0.725 5.045 4.320 -0.000 0.000 0.292 382 A C -1.182 176.334 177.584 -0.112 0.000 1.066 382 A CA -0.401 51.521 52.037 -0.192 0.000 0.676 382 A CB 1.505 20.340 19.000 -0.275 0.000 1.277 382 A HN 1.967 nan 8.150 nan 0.000 0.413 383 C N 0.656 119.895 119.300 -0.101 0.000 2.989 383 C HA 0.768 5.228 4.460 -0.000 0.000 0.397 383 C C 0.320 175.282 174.990 -0.048 0.000 1.022 383 C CA 1.332 60.307 59.018 -0.072 0.000 1.232 383 C CB 0.442 28.115 27.740 -0.112 0.000 1.638 383 C HN 3.066 nan 8.230 nan 0.000 0.534 384 G N 4.416 113.212 108.800 -0.007 0.000 2.526 384 G HA2 0.007 3.967 3.960 -0.000 0.000 0.250 384 G HA3 0.007 3.967 3.960 -0.000 0.000 0.250 384 G C -0.933 174.019 174.900 0.088 0.000 1.289 384 G CA -0.469 44.653 45.100 0.038 0.000 0.947 384 G HN 1.223 nan 8.290 nan 0.000 0.517 385 L N 1.017 122.315 121.223 0.126 0.000 2.483 385 L HA 0.418 4.758 4.340 -0.000 0.000 0.276 385 L C 1.730 178.762 176.870 0.271 0.000 1.213 385 L CA 0.235 55.177 54.840 0.171 0.000 0.843 385 L CB 0.726 42.886 42.059 0.168 0.000 1.107 385 L HN 0.998 nan 8.230 nan 0.000 0.487 386 S N 0.712 116.565 115.700 0.255 0.000 2.655 386 S HA 0.103 4.573 4.470 -0.000 0.000 0.265 386 S C 0.807 175.496 174.600 0.148 0.000 1.240 386 S CA -0.432 57.932 58.200 0.275 0.000 0.986 386 S CB 1.454 64.772 63.200 0.198 0.000 0.985 386 S HN 0.740 nan 8.310 nan 0.000 0.562 387 E N 0.941 121.161 120.200 0.034 0.000 2.007 387 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 387 E C 2.088 178.709 176.600 0.035 0.000 0.999 387 E CA 1.494 57.899 56.400 0.008 0.000 0.811 387 E CB -0.322 29.342 29.700 -0.060 0.000 0.762 387 E HN 0.820 nan 8.360 nan 0.000 0.450 388 E N 1.016 121.233 120.200 0.030 0.000 2.114 388 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 388 E C 2.010 178.646 176.600 0.060 0.000 1.008 388 E CA 1.670 58.093 56.400 0.037 0.000 0.810 388 E CB -0.437 29.282 29.700 0.033 0.000 0.739 388 E HN 0.093 nan 8.360 nan 0.000 0.456 389 K N 1.691 122.139 120.400 0.080 0.000 2.211 389 K HA 0.044 4.364 4.320 -0.000 0.000 0.203 389 K C 2.050 178.734 176.600 0.140 0.000 1.050 389 K CA 1.400 57.745 56.287 0.097 0.000 0.945 389 K CB -0.452 32.108 32.500 0.101 0.000 0.732 389 K HN 0.175 nan 8.250 nan 0.000 0.451 390 A N 0.565 123.471 122.820 0.143 0.000 1.898 390 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 390 A C 2.270 179.986 177.584 0.221 0.000 1.181 390 A CA 1.832 53.979 52.037 0.184 0.000 0.620 390 A CB -0.943 18.112 19.000 0.092 0.000 0.819 390 A HN 0.277 nan 8.150 nan 0.000 0.442 391 V N -1.888 118.105 119.914 0.131 0.000 2.407 391 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 391 V C 1.941 178.101 176.094 0.109 0.000 1.041 391 V CA 2.230 64.598 62.300 0.113 0.000 1.040 391 V CB -0.914 30.944 31.823 0.058 0.000 0.671 391 V HN 0.614 nan 8.190 nan 0.000 0.455 392 E N 0.299 120.552 120.200 0.088 0.000 2.463 392 E HA -0.228 4.122 4.350 -0.000 0.000 0.201 392 E C 2.002 178.629 176.600 0.045 0.000 1.045 392 E CA 1.281 57.715 56.400 0.057 0.000 0.872 392 E CB 0.078 29.806 29.700 0.047 0.000 0.797 392 E HN 0.793 nan 8.360 nan 0.000 0.538 393 K N -1.177 119.278 120.400 0.092 0.000 2.362 393 K HA 0.060 4.380 4.320 -0.000 0.000 0.203 393 K C 0.877 177.373 176.600 -0.173 0.000 1.198 393 K CA 0.089 56.354 56.287 -0.036 0.000 0.908 393 K CB 0.268 32.778 32.500 0.016 0.000 1.236 393 K HN -0.004 nan 8.250 nan 0.000 0.487 394 F N 1.018 120.981 119.950 0.021 0.000 2.695 394 F HA 0.381 4.908 4.527 -0.000 0.000 0.303 394 F C 0.365 176.174 175.800 0.015 0.000 1.091 394 F CA 0.245 58.257 58.000 0.020 0.000 1.300 394 F CB 1.262 40.278 39.000 0.026 0.000 1.071 394 F HN 0.197 nan 8.300 nan 0.000 0.578 395 G N 1.622 110.520 108.800 0.164 0.000 3.307 395 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 395 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 395 G C 0.686 175.639 174.900 0.089 0.000 0.983 395 G CA -0.046 45.112 45.100 0.097 0.000 0.804 395 G HN 0.193 nan 8.290 nan 0.000 0.531 396 E N 1.405 121.639 120.200 0.057 0.000 2.197 396 E HA -0.277 4.073 4.350 -0.000 0.000 0.205 396 E C 2.035 178.649 176.600 0.023 0.000 1.029 396 E CA 2.419 58.839 56.400 0.034 0.000 0.828 396 E CB -0.005 29.705 29.700 0.017 0.000 0.737 396 E HN 0.974 nan 8.360 nan 0.000 0.464 397 E N -1.023 119.194 120.200 0.027 0.000 2.502 397 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 397 E C 0.905 177.522 176.600 0.027 0.000 1.062 397 E CA 0.142 56.553 56.400 0.018 0.000 0.867 397 E CB -0.004 29.706 29.700 0.016 0.000 0.888 397 E HN 0.130 nan 8.360 nan 0.000 0.510 398 N N 0.975 119.704 118.700 0.048 0.000 2.184 398 N HA 0.165 4.905 4.740 -0.000 0.000 0.206 398 N C -0.242 175.285 175.510 0.028 0.000 1.151 398 N CA 0.029 53.114 53.050 0.058 0.000 0.878 398 N CB 0.856 39.411 38.487 0.113 0.000 1.014 398 N HN 0.284 nan 8.380 nan 0.000 0.512 399 I N -1.375 119.201 120.570 0.010 0.000 2.465 399 I HA 0.482 4.652 4.170 -0.000 0.000 0.291 399 I C -0.316 175.777 176.117 -0.040 0.000 1.014 399 I CA -0.874 60.411 61.300 -0.026 0.000 1.093 399 I CB 1.685 39.668 38.000 -0.027 0.000 1.267 399 I HN -0.326 nan 8.210 nan 0.000 0.431 400 E N 4.762 124.943 120.200 -0.033 0.000 2.191 400 E HA 0.575 4.925 4.350 -0.000 0.000 0.274 400 E C -1.052 175.484 176.600 -0.107 0.000 0.948 400 E CA -0.772 55.560 56.400 -0.113 0.000 0.802 400 E CB 2.664 32.300 29.700 -0.106 0.000 1.137 400 E HN 0.521 nan 8.360 nan 0.000 0.397 401 V N 4.238 124.004 119.914 -0.245 0.000 2.305 401 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 401 V C -1.065 174.887 176.094 -0.236 0.000 1.020 401 V CA -0.761 61.437 62.300 -0.170 0.000 0.811 401 V CB -0.164 31.540 31.823 -0.199 0.000 1.031 401 V HN 0.481 nan 8.190 nan 0.000 0.439 402 Y N 4.727 125.012 120.300 -0.026 0.000 2.350 402 Y HA 0.581 5.131 4.550 -0.000 0.000 0.340 402 Y C 0.822 176.733 175.900 0.019 0.000 1.006 402 Y CA -0.403 57.706 58.100 0.016 0.000 1.166 402 Y CB 0.562 39.017 38.460 -0.008 0.000 1.168 402 Y HN 0.832 nan 8.280 nan 0.000 0.502 403 H N -0.700 118.330 119.070 -0.068 0.000 2.949 403 H HA 0.910 5.466 4.556 -0.000 0.000 0.310 403 H C -0.950 174.252 175.328 -0.210 0.000 1.405 403 H CA -1.223 54.689 56.048 -0.226 0.000 1.253 403 H CB 2.299 31.950 29.762 -0.185 0.000 1.932 403 H HN 0.494 nan 8.280 nan 0.000 0.602 404 S N -0.337 115.114 115.700 -0.414 0.000 2.751 404 S HA 0.165 4.635 4.470 -0.000 0.000 0.289 404 S C -2.119 172.405 174.600 -0.127 0.000 0.965 404 S CA -0.871 57.134 58.200 -0.325 0.000 0.855 404 S CB -0.067 63.015 63.200 -0.196 0.000 1.068 404 S HN 0.640 nan 8.310 nan 0.000 0.462 405 Y N 2.296 122.670 120.300 0.122 0.000 2.354 405 Y HA 0.729 5.279 4.550 -0.000 0.000 0.322 405 Y C 0.352 176.415 175.900 0.272 0.000 1.253 405 Y CA -0.435 57.779 58.100 0.191 0.000 1.272 405 Y CB 1.147 39.654 38.460 0.078 0.000 1.255 405 Y HN 0.702 nan 8.280 nan 0.000 0.500 406 F N -1.199 118.900 119.950 0.248 0.000 2.645 406 F HA 0.538 5.065 4.527 -0.000 0.000 0.310 406 F C -1.941 174.015 175.800 0.261 0.000 1.102 406 F CA -1.925 56.177 58.000 0.170 0.000 0.952 406 F CB 1.124 40.157 39.000 0.056 0.000 1.326 406 F HN 0.403 nan 8.300 nan 0.000 0.456 407 W N 4.407 125.791 121.300 0.139 0.000 2.517 407 W HA 0.660 5.320 4.660 0.000 0.000 0.301 407 W C -2.923 173.562 176.519 -0.057 0.000 1.002 407 W CA -3.263 54.081 57.345 -0.001 0.000 1.415 407 W CB 1.145 30.651 29.460 0.077 0.000 1.275 407 W HN 0.364 nan 8.180 nan 0.000 0.413 408 P HA -0.192 nan 4.420 nan 0.000 0.257 408 P C 1.142 178.077 177.300 -0.608 0.000 1.162 408 P CA 0.205 62.969 63.100 -0.560 0.000 0.762 408 P CB 0.458 31.439 31.700 -1.199 0.000 0.753 409 L N 5.134 126.157 121.223 -0.332 0.000 2.054 409 L HA -0.275 4.065 4.340 -0.000 0.000 0.220 409 L C 1.640 178.345 176.870 -0.277 0.000 1.081 409 L CA 2.085 56.762 54.840 -0.273 0.000 0.780 409 L CB -1.384 40.583 42.059 -0.154 0.000 0.893 409 L HN 0.348 nan 8.230 nan 0.000 0.438 410 E N -1.481 118.594 120.200 -0.208 0.000 2.333 410 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 410 E C 1.474 178.221 176.600 0.245 0.000 1.010 410 E CA 1.366 57.788 56.400 0.038 0.000 0.841 410 E CB -0.335 29.385 29.700 0.035 0.000 0.757 410 E HN 0.633 nan 8.360 nan 0.000 0.508 411 W N -0.132 120.962 121.300 -0.344 0.000 3.220 411 W HA 0.207 4.867 4.660 -0.000 0.000 0.328 411 W C 1.667 177.801 176.519 -0.641 0.000 1.205 411 W CA 0.547 57.678 57.345 -0.357 0.000 1.773 411 W CB -0.987 28.310 29.460 -0.271 0.000 1.086 411 W HN 0.115 nan 8.180 nan 0.000 0.622 412 T N -1.337 112.842 114.554 -0.624 0.000 2.701 412 T HA -0.200 4.150 4.350 -0.000 0.000 0.263 412 T C 1.835 176.459 174.700 -0.127 0.000 1.040 412 T CA 1.594 63.341 62.100 -0.589 0.000 1.147 412 T CB -0.591 68.040 68.868 -0.394 0.000 0.865 412 T HN 0.227 nan 8.240 nan 0.000 0.426 413 I N 1.417 121.905 120.570 -0.136 0.000 2.480 413 I HA 0.167 4.337 4.170 -0.000 0.000 0.251 413 I C -1.052 175.036 176.117 -0.047 0.000 1.124 413 I CA 0.154 61.356 61.300 -0.164 0.000 1.444 413 I CB -0.741 36.975 38.000 -0.473 0.000 1.098 413 I HN 0.099 nan 8.210 nan 0.000 0.428 414 P HA -0.081 nan 4.420 nan 0.000 0.230 414 P C 0.594 177.990 177.300 0.160 0.000 1.158 414 P CA 0.836 64.030 63.100 0.157 0.000 0.769 414 P CB -0.147 31.703 31.700 0.251 0.000 0.807 415 S N -0.085 115.743 115.700 0.212 0.000 3.405 415 S HA -0.210 4.260 4.470 -0.000 0.000 0.373 415 S C 0.193 175.000 174.600 0.345 0.000 0.939 415 S CA 0.633 59.041 58.200 0.348 0.000 1.295 415 S CB -1.332 62.000 63.200 0.220 0.000 0.919 415 S HN 0.491 nan 8.310 nan 0.000 0.535 416 R N 0.075 120.862 120.500 0.477 0.000 2.774 416 R HA 0.695 5.035 4.340 -0.000 0.000 0.272 416 R C -0.933 175.618 176.300 0.418 0.000 1.000 416 R CA -0.442 55.829 56.100 0.285 0.000 0.906 416 R CB 0.257 30.607 30.300 0.083 0.000 1.227 416 R HN 0.067 nan 8.270 nan 0.000 0.468 417 D N 0.584 121.086 120.400 0.169 0.000 2.890 417 D HA -0.238 4.402 4.640 -0.000 0.000 0.226 417 D C -1.059 175.357 176.300 0.193 0.000 1.207 417 D CA 1.115 55.210 54.000 0.159 0.000 0.764 417 D CB -0.636 40.204 40.800 0.067 0.000 0.948 417 D HN 0.624 nan 8.370 nan 0.000 0.404 418 N N 1.073 119.543 118.700 -0.384 0.000 2.482 418 N HA 0.134 4.874 4.740 -0.000 0.000 0.279 418 N C 0.270 175.447 175.510 -0.555 0.000 1.182 418 N CA -0.525 51.849 53.050 -1.127 0.000 0.969 418 N CB 0.575 38.129 38.487 -1.554 0.000 1.201 418 N HN 0.061 nan 8.380 nan 0.000 0.523 419 N N 0.637 119.025 118.700 -0.520 0.000 2.710 419 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 419 N C -0.093 175.019 175.510 -0.663 0.000 1.059 419 N CA 0.891 53.580 53.050 -0.602 0.000 0.720 419 N CB -0.454 37.676 38.487 -0.595 0.000 0.983 419 N HN 0.645 nan 8.380 nan 0.000 0.544 420 K N -0.672 119.557 120.400 -0.286 0.000 2.380 420 K HA 0.271 4.591 4.320 -0.000 0.000 0.200 420 K C 0.088 176.695 176.600 0.012 0.000 1.201 420 K CA 0.529 56.760 56.287 -0.093 0.000 0.916 420 K CB 0.218 32.785 32.500 0.111 0.000 1.187 420 K HN 0.248 nan 8.250 nan 0.000 0.498 421 C N 2.143 121.399 119.300 -0.074 0.000 2.637 421 C HA 0.358 4.818 4.460 -0.000 0.000 0.418 421 C C -0.220 174.624 174.990 -0.243 0.000 1.319 421 C CA -0.382 58.390 59.018 -0.410 0.000 1.949 421 C CB -1.230 25.786 27.740 -1.207 0.000 2.639 421 C HN 0.425 nan 8.230 nan 0.000 0.594 422 Y N 1.387 121.626 120.300 -0.103 0.000 2.524 422 Y HA 0.682 5.232 4.550 -0.000 0.000 0.347 422 Y C -0.334 175.754 175.900 0.314 0.000 1.005 422 Y CA -0.599 57.602 58.100 0.169 0.000 1.025 422 Y CB 1.210 39.739 38.460 0.115 0.000 1.275 422 Y HN 0.849 nan 8.280 nan 0.000 0.460 423 A N 5.152 127.720 122.820 -0.419 0.000 2.498 423 A HA 0.894 5.214 4.320 -0.000 0.000 0.298 423 A C -1.683 175.358 177.584 -0.905 0.000 1.075 423 A CA -0.773 50.888 52.037 -0.626 0.000 0.714 423 A CB 1.733 20.100 19.000 -1.055 0.000 1.299 423 A HN 0.810 nan 8.150 nan 0.000 0.407 424 K N 0.937 121.017 120.400 -0.534 0.000 2.589 424 K HA 0.645 4.965 4.320 -0.000 0.000 0.265 424 K C -1.414 175.172 176.600 -0.023 0.000 0.935 424 K CA -0.647 55.468 56.287 -0.288 0.000 0.850 424 K CB 1.143 33.472 32.500 -0.284 0.000 1.372 424 K HN 1.104 nan 8.250 nan 0.000 0.420 425 I N -0.681 119.923 120.570 0.056 0.000 2.957 425 I HA 0.665 4.835 4.170 -0.000 0.000 0.310 425 I C -0.961 175.247 176.117 0.152 0.000 1.063 425 I CA -1.518 59.858 61.300 0.127 0.000 1.033 425 I CB 1.894 39.978 38.000 0.141 0.000 1.230 425 I HN 0.605 nan 8.210 nan 0.000 0.447 426 I N 2.968 123.625 120.570 0.146 0.000 2.439 426 I HA 0.390 4.560 4.170 -0.000 0.000 0.285 426 I C -0.935 175.217 176.117 0.060 0.000 1.021 426 I CA -0.405 60.955 61.300 0.100 0.000 1.091 426 I CB 1.737 39.792 38.000 0.093 0.000 1.242 426 I HN 0.623 nan 8.210 nan 0.000 0.439 427 C N 3.916 123.261 119.300 0.075 0.000 2.411 427 C HA 0.423 4.883 4.460 -0.000 0.000 0.330 427 C C 0.378 175.332 174.990 -0.061 0.000 1.224 427 C CA -0.681 58.355 59.018 0.030 0.000 1.770 427 C CB 1.151 28.971 27.740 0.133 0.000 2.297 427 C HN 0.723 nan 8.230 nan 0.000 0.507 428 N N 1.043 119.652 118.700 -0.152 0.000 2.527 428 N HA 0.193 4.933 4.740 -0.000 0.000 0.236 428 N C 0.939 176.410 175.510 -0.064 0.000 0.999 428 N CA -0.076 52.838 53.050 -0.225 0.000 0.935 428 N CB 0.854 39.020 38.487 -0.534 0.000 1.132 428 N HN 0.659 nan 8.380 nan 0.000 0.511 429 T N 2.367 116.916 114.554 -0.009 0.000 2.720 429 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 429 T C 1.188 175.912 174.700 0.039 0.000 1.037 429 T CA 1.170 63.287 62.100 0.029 0.000 1.144 429 T CB -0.006 68.884 68.868 0.037 0.000 0.864 429 T HN 0.456 nan 8.240 nan 0.000 0.444 430 K N 1.382 121.818 120.400 0.059 0.000 2.574 430 K HA 0.014 4.334 4.320 -0.000 0.000 0.193 430 K C 0.440 177.086 176.600 0.078 0.000 1.035 430 K CA 0.614 56.949 56.287 0.080 0.000 0.982 430 K CB -0.091 32.483 32.500 0.123 0.000 0.795 430 K HN 0.360 nan 8.250 nan 0.000 0.491 431 D N 0.041 120.474 120.400 0.055 0.000 2.997 431 D HA 0.111 4.751 4.640 -0.000 0.000 0.362 431 D C -0.969 175.346 176.300 0.025 0.000 1.298 431 D CA -0.352 53.678 54.000 0.049 0.000 0.756 431 D CB -0.535 40.308 40.800 0.072 0.000 1.216 431 D HN -0.060 nan 8.370 nan 0.000 0.496 432 N N 1.681 120.395 118.700 0.024 0.000 2.741 432 N HA -0.221 4.519 4.740 -0.000 0.000 0.250 432 N C -0.771 174.745 175.510 0.010 0.000 1.115 432 N CA 1.114 54.174 53.050 0.016 0.000 0.724 432 N CB -0.923 37.572 38.487 0.013 0.000 1.090 432 N HN 0.493 nan 8.380 nan 0.000 0.558 433 E N -2.445 117.763 120.200 0.012 0.000 2.320 433 E HA -0.320 4.030 4.350 -0.000 0.000 0.234 433 E C 0.052 176.648 176.600 -0.006 0.000 1.183 433 E CA 0.551 56.960 56.400 0.015 0.000 0.713 433 E CB -0.713 29.003 29.700 0.027 0.000 1.226 433 E HN 0.446 nan 8.360 nan 0.000 0.382 434 R N 0.472 120.958 120.500 -0.024 0.000 2.585 434 R HA 0.089 4.429 4.340 -0.000 0.000 0.275 434 R C -0.381 175.901 176.300 -0.031 0.000 1.018 434 R CA 0.177 56.261 56.100 -0.026 0.000 1.072 434 R CB 0.700 30.979 30.300 -0.035 0.000 0.953 434 R HN 0.052 nan 8.270 nan 0.000 0.419 435 V N 7.430 127.345 119.914 0.001 0.000 2.370 435 V HA 0.026 4.146 4.120 -0.000 0.000 0.257 435 V C 1.007 177.113 176.094 0.019 0.000 1.064 435 V CA 0.292 62.609 62.300 0.029 0.000 0.975 435 V CB 0.725 32.590 31.823 0.070 0.000 1.067 435 V HN 0.801 nan 8.190 nan 0.000 0.485 436 V N 2.125 122.035 119.914 -0.008 0.000 3.621 436 V HA 0.627 4.747 4.120 -0.000 0.000 0.285 436 V C 0.749 176.875 176.094 0.053 0.000 1.346 436 V CA 0.673 62.967 62.300 -0.010 0.000 1.104 436 V CB 0.251 31.995 31.823 -0.132 0.000 0.913 436 V HN 0.739 nan 8.190 nan 0.000 0.432 437 G N -0.063 108.793 108.800 0.093 0.000 2.753 437 G HA2 0.573 4.533 3.960 -0.000 0.000 0.295 437 G HA3 0.573 4.533 3.960 -0.000 0.000 0.295 437 G C -1.969 173.017 174.900 0.142 0.000 1.437 437 G CA -0.487 44.699 45.100 0.143 0.000 1.094 437 G HN 0.176 nan 8.290 nan 0.000 0.540 438 F N 2.547 122.351 119.950 -0.243 0.000 2.518 438 F HA 0.747 5.274 4.527 0.000 0.000 0.323 438 F C -0.862 174.645 175.800 -0.488 0.000 1.129 438 F CA -0.713 57.130 58.000 -0.261 0.000 0.920 438 F CB 1.838 40.655 39.000 -0.305 0.000 1.160 438 F HN 0.539 nan 8.300 nan 0.000 0.440 439 H N 3.608 122.491 119.070 -0.312 0.000 2.865 439 H HA 0.726 5.282 4.556 0.000 0.000 0.362 439 H C -1.446 173.876 175.328 -0.011 0.000 1.114 439 H CA -1.033 55.040 56.048 0.042 0.000 1.208 439 H CB 2.212 32.105 29.762 0.220 0.000 1.727 439 H HN 0.517 nan 8.280 nan 0.000 0.534 440 V N 3.823 123.953 119.914 0.361 0.000 2.711 440 V HA 0.396 4.516 4.120 -0.000 0.000 0.304 440 V C -1.812 174.564 176.094 0.470 0.000 1.097 440 V CA -0.688 61.846 62.300 0.389 0.000 0.906 440 V CB 1.723 33.802 31.823 0.426 0.000 1.015 440 V HN 0.607 nan 8.190 nan 0.000 0.427 441 L N 7.394 128.865 121.223 0.413 0.000 2.294 441 L HA 1.057 5.397 4.340 -0.000 0.000 0.283 441 L C 0.117 177.148 176.870 0.268 0.000 1.015 441 L CA 1.129 56.154 54.840 0.308 0.000 0.831 441 L CB 0.880 43.061 42.059 0.204 0.000 1.217 441 L HN 1.027 nan 8.230 nan 0.000 0.420 442 G N 4.533 113.491 108.800 0.264 0.000 2.320 442 G HA2 0.323 4.283 3.960 -0.000 0.000 0.296 442 G HA3 0.323 4.283 3.960 -0.000 0.000 0.296 442 G C -3.386 171.671 174.900 0.262 0.000 1.306 442 G CA -0.660 44.585 45.100 0.242 0.000 0.836 442 G HN 0.420 nan 8.290 nan 0.000 0.517 443 P HA 0.175 nan 4.420 nan 0.000 0.275 443 P C -0.231 177.197 177.300 0.213 0.000 1.228 443 P CA 0.129 63.382 63.100 0.254 0.000 0.786 443 P CB 0.571 32.412 31.700 0.234 0.000 0.927 444 N N 0.219 119.052 118.700 0.220 0.000 2.727 444 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 444 N C 1.226 176.839 175.510 0.172 0.000 1.048 444 N CA 0.933 54.099 53.050 0.195 0.000 0.714 444 N CB -1.555 37.020 38.487 0.146 0.000 0.959 444 N HN 0.598 nan 8.380 nan 0.000 0.544 445 A N 0.193 123.105 122.820 0.154 0.000 1.927 445 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 445 A C 2.301 179.923 177.584 0.063 0.000 1.185 445 A CA 2.447 54.553 52.037 0.116 0.000 0.639 445 A CB -0.914 18.110 19.000 0.041 0.000 0.820 445 A HN 0.558 nan 8.150 nan 0.000 0.451 446 G N -0.526 108.287 108.800 0.021 0.000 2.421 446 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 446 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 446 G C 1.343 176.276 174.900 0.055 0.000 1.171 446 G CA 0.973 46.089 45.100 0.027 0.000 0.775 446 G HN 0.520 nan 8.290 nan 0.000 0.543 447 E N 0.477 120.730 120.200 0.089 0.000 2.097 447 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 447 E C 2.803 179.437 176.600 0.057 0.000 1.000 447 E CA 0.956 57.394 56.400 0.062 0.000 0.804 447 E CB -0.722 29.022 29.700 0.073 0.000 0.740 447 E HN 0.333 nan 8.360 nan 0.000 0.454 448 V N 1.315 121.292 119.914 0.106 0.000 2.358 448 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 448 V C 2.338 178.529 176.094 0.163 0.000 1.047 448 V CA 2.071 64.471 62.300 0.167 0.000 1.035 448 V CB -0.670 31.293 31.823 0.235 0.000 0.658 448 V HN 0.286 nan 8.190 nan 0.000 0.452 449 T N -1.101 113.497 114.554 0.073 0.000 2.857 449 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 449 T C 1.840 176.437 174.700 -0.171 0.000 1.048 449 T CA 1.430 63.475 62.100 -0.092 0.000 1.139 449 T CB -0.205 68.628 68.868 -0.058 0.000 0.874 449 T HN 0.364 nan 8.240 nan 0.000 0.455 450 Q N 1.476 121.211 119.800 -0.107 0.000 1.978 450 Q HA -0.149 4.191 4.340 -0.000 0.000 0.211 450 Q C 2.460 178.343 176.000 -0.196 0.000 1.013 450 Q CA 2.515 58.240 55.803 -0.130 0.000 0.869 450 Q CB -1.272 27.413 28.738 -0.088 0.000 0.953 450 Q HN 0.503 nan 8.270 nan 0.000 0.415 451 G N -1.119 107.539 108.800 -0.236 0.000 2.505 451 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 451 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 451 G C 1.202 175.812 174.900 -0.483 0.000 1.145 451 G CA 1.091 45.974 45.100 -0.360 0.000 0.761 451 G HN 0.412 nan 8.290 nan 0.000 0.571 452 F N 1.658 121.334 119.950 -0.458 0.000 2.216 452 F HA 0.088 4.615 4.527 0.000 0.000 0.300 452 F C 2.992 178.499 175.800 -0.489 0.000 1.085 452 F CA 0.789 58.424 58.000 -0.608 0.000 1.326 452 F CB -0.320 37.900 39.000 -1.300 0.000 1.027 452 F HN 0.244 nan 8.300 nan 0.000 0.497 453 A N -0.087 122.563 122.820 -0.284 0.000 1.972 453 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 453 A C 2.397 179.889 177.584 -0.154 0.000 1.169 453 A CA 1.605 53.519 52.037 -0.204 0.000 0.635 453 A CB -1.119 17.776 19.000 -0.175 0.000 0.810 453 A HN 0.301 nan 8.150 nan 0.000 0.446 454 A N -0.164 122.552 122.820 -0.173 0.000 1.897 454 A HA 0.252 4.572 4.320 -0.000 0.000 0.215 454 A C 2.488 179.994 177.584 -0.129 0.000 1.181 454 A CA 1.730 53.682 52.037 -0.142 0.000 0.620 454 A CB -0.962 17.945 19.000 -0.155 0.000 0.821 454 A HN 0.998 nan 8.150 nan 0.000 0.443 455 A N 0.086 122.809 122.820 -0.161 0.000 1.908 455 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 455 A C 2.139 179.683 177.584 -0.066 0.000 1.181 455 A CA 1.585 53.550 52.037 -0.119 0.000 0.627 455 A CB -0.638 18.285 19.000 -0.127 0.000 0.818 455 A HN 0.468 nan 8.150 nan 0.000 0.445 456 L N -0.840 120.345 121.223 -0.064 0.000 2.083 456 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 456 L C 2.300 179.152 176.870 -0.031 0.000 1.083 456 L CA 1.341 56.161 54.840 -0.034 0.000 0.752 456 L CB -0.639 41.399 42.059 -0.035 0.000 0.899 456 L HN 0.324 nan 8.230 nan 0.000 0.433 457 K N -0.240 120.132 120.400 -0.047 0.000 2.442 457 K HA -0.117 4.203 4.320 -0.000 0.000 0.198 457 K C 1.600 178.182 176.600 -0.031 0.000 1.044 457 K CA 0.828 57.093 56.287 -0.037 0.000 0.948 457 K CB -0.206 32.264 32.500 -0.049 0.000 0.762 457 K HN 0.436 nan 8.250 nan 0.000 0.472 458 C N -0.186 119.093 119.300 -0.036 0.000 3.038 458 C HA 0.256 4.716 4.460 -0.000 0.000 0.279 458 C C 1.170 176.149 174.990 -0.018 0.000 1.276 458 C CA -0.098 58.902 59.018 -0.031 0.000 1.697 458 C CB -0.461 27.253 27.740 -0.044 0.000 2.032 458 C HN 0.625 nan 8.230 nan 0.000 0.636 459 G N 1.564 110.358 108.800 -0.011 0.000 2.182 459 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.248 459 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.248 459 G C -0.034 174.866 174.900 -0.000 0.000 1.042 459 G CA 0.193 45.293 45.100 -0.000 0.000 0.775 459 G HN 0.550 nan 8.290 nan 0.000 0.501 460 L N 1.839 123.061 121.223 -0.002 0.000 2.653 460 L HA 0.466 4.806 4.340 -0.000 0.000 0.288 460 L C 1.062 177.939 176.870 0.012 0.000 1.243 460 L CA 1.443 56.288 54.840 0.008 0.000 0.906 460 L CB 0.327 42.403 42.059 0.028 0.000 1.154 460 L HN 0.765 nan 8.230 nan 0.000 0.498 461 T N 1.186 115.744 114.554 0.006 0.000 2.912 461 T HA 0.387 4.737 4.350 -0.000 0.000 0.288 461 T C 0.783 175.475 174.700 -0.014 0.000 1.030 461 T CA -0.619 61.479 62.100 -0.003 0.000 1.020 461 T CB 1.599 70.464 68.868 -0.005 0.000 1.056 461 T HN 0.591 nan 8.240 nan 0.000 0.480 462 K N 1.299 121.675 120.400 -0.039 0.000 2.113 462 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 462 K C 1.903 178.454 176.600 -0.082 0.000 1.047 462 K CA 1.714 57.942 56.287 -0.098 0.000 0.928 462 K CB -0.464 31.929 32.500 -0.179 0.000 0.716 462 K HN 0.714 nan 8.250 nan 0.000 0.446 463 K N -0.036 120.334 120.400 -0.050 0.000 2.025 463 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 463 K C 2.325 178.910 176.600 -0.024 0.000 1.049 463 K CA 1.789 58.054 56.287 -0.036 0.000 0.933 463 K CB -0.124 32.364 32.500 -0.021 0.000 0.714 463 K HN 0.276 nan 8.250 nan 0.000 0.438 464 Q N 0.595 120.385 119.800 -0.015 0.000 2.084 464 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 464 Q C 2.185 178.186 176.000 0.002 0.000 0.978 464 Q CA 1.105 56.903 55.803 -0.008 0.000 0.844 464 Q CB -0.221 28.513 28.738 -0.007 0.000 0.898 464 Q HN 0.165 nan 8.270 nan 0.000 0.426 465 L N 1.704 122.934 121.223 0.012 0.000 1.989 465 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 465 L C 1.601 178.488 176.870 0.029 0.000 1.071 465 L CA 2.005 56.874 54.840 0.048 0.000 0.749 465 L CB -0.608 41.486 42.059 0.059 0.000 0.890 465 L HN 0.140 nan 8.230 nan 0.000 0.431 466 D N -0.762 119.631 120.400 -0.012 0.000 2.149 466 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 466 D C 2.258 178.554 176.300 -0.007 0.000 0.990 466 D CA 1.620 55.608 54.000 -0.020 0.000 0.839 466 D CB -0.198 40.575 40.800 -0.046 0.000 0.948 466 D HN 0.593 nan 8.370 nan 0.000 0.460 467 S N -0.400 115.296 115.700 -0.007 0.000 2.555 467 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 467 S C 0.914 175.512 174.600 -0.003 0.000 0.978 467 S CA 0.150 58.346 58.200 -0.007 0.000 0.934 467 S CB -0.249 62.945 63.200 -0.010 0.000 0.766 467 S HN -0.045 nan 8.310 nan 0.000 0.533 468 T N 4.280 118.838 114.554 0.007 0.000 2.817 468 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 468 T C 0.020 174.729 174.700 0.016 0.000 0.964 468 T CA -0.539 61.566 62.100 0.008 0.000 1.085 468 T CB 0.603 69.483 68.868 0.020 0.000 0.921 468 T HN 0.151 nan 8.240 nan 0.000 0.502 469 I N 3.052 123.626 120.570 0.006 0.000 2.428 469 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 469 I C 1.260 177.390 176.117 0.022 0.000 1.019 469 I CA -0.383 60.922 61.300 0.009 0.000 1.351 469 I CB 0.521 38.522 38.000 0.001 0.000 1.412 469 I HN 0.678 nan 8.210 nan 0.000 0.513 470 G N 6.320 115.139 108.800 0.031 0.000 2.537 470 G HA2 0.579 4.539 3.960 -0.000 0.000 0.273 470 G HA3 0.579 4.539 3.960 -0.000 0.000 0.273 470 G C -0.208 174.724 174.900 0.054 0.000 1.189 470 G CA -0.632 44.500 45.100 0.053 0.000 0.881 470 G HN 0.530 nan 8.290 nan 0.000 0.535 471 I N 0.133 120.745 120.570 0.070 0.000 2.353 471 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 471 I C -0.333 175.864 176.117 0.135 0.000 0.992 471 I CA -0.713 60.632 61.300 0.075 0.000 1.268 471 I CB 1.629 39.656 38.000 0.045 0.000 1.387 471 I HN 0.439 nan 8.210 nan 0.000 0.478 472 H N 6.881 125.954 119.070 0.004 0.000 2.495 472 H HA 0.575 5.131 4.556 -0.000 0.000 0.348 472 H C -2.519 172.810 175.328 0.002 0.000 1.113 472 H CA -2.010 54.041 56.048 0.004 0.000 1.195 472 H CB 1.754 31.519 29.762 0.005 0.000 1.521 472 H HN 0.300 nan 8.280 nan 0.000 0.509 473 P HA 0.313 nan 4.420 nan 0.000 0.284 473 P C -1.374 175.846 177.300 -0.133 0.000 1.459 473 P CA -0.541 62.248 63.100 -0.519 0.000 0.982 473 P CB 1.082 32.333 31.700 -0.749 0.000 1.184 474 V N 1.919 121.833 119.914 0.000 0.000 2.864 474 V HA 0.181 4.301 4.120 -0.000 0.000 0.314 474 V C 1.307 177.410 176.094 0.015 0.000 1.073 474 V CA -0.584 61.718 62.300 0.005 0.000 0.956 474 V CB 1.569 33.410 31.823 0.029 0.000 1.023 474 V HN 0.558 nan 8.190 nan 0.000 0.435 475 C N 1.935 121.238 119.300 0.006 0.000 2.436 475 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 475 C C 2.962 177.887 174.990 -0.109 0.000 1.241 475 C CA 1.498 60.501 59.018 -0.025 0.000 1.721 475 C CB -1.223 26.562 27.740 0.074 0.000 2.043 475 C HN 1.076 nan 8.230 nan 0.000 0.472 476 A N 1.574 124.417 122.820 0.038 0.000 1.971 476 A HA -0.328 3.992 4.320 -0.000 0.000 0.222 476 A C 2.060 179.760 177.584 0.193 0.000 1.182 476 A CA 2.474 54.619 52.037 0.180 0.000 0.649 476 A CB -0.976 18.183 19.000 0.265 0.000 0.818 476 A HN 0.860 nan 8.150 nan 0.000 0.458 477 E N -0.098 120.162 120.200 0.101 0.000 2.147 477 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 477 E C 1.682 178.296 176.600 0.023 0.000 1.005 477 E CA 1.728 58.183 56.400 0.093 0.000 0.810 477 E CB -0.952 28.794 29.700 0.077 0.000 0.736 477 E HN 0.461 nan 8.360 nan 0.000 0.460 478 V N 0.236 120.065 119.914 -0.140 0.000 2.511 478 V HA -0.288 3.832 4.120 -0.000 0.000 0.257 478 V C 1.808 177.725 176.094 -0.295 0.000 1.088 478 V CA 2.109 64.235 62.300 -0.290 0.000 1.098 478 V CB -0.654 30.792 31.823 -0.628 0.000 0.674 478 V HN 0.387 nan 8.190 nan 0.000 0.470 479 F N 1.152 120.998 119.950 -0.174 0.000 2.407 479 F HA -0.032 4.495 4.527 0.000 0.000 0.299 479 F C 2.504 178.276 175.800 -0.046 0.000 1.097 479 F CA 1.522 59.427 58.000 -0.157 0.000 1.422 479 F CB -0.724 38.125 39.000 -0.251 0.000 1.067 479 F HN 0.387 nan 8.300 nan 0.000 0.539 480 T N -3.582 111.071 114.554 0.164 0.000 3.160 480 T HA -0.019 4.331 4.350 -0.000 0.000 0.257 480 T C 0.889 175.605 174.700 0.027 0.000 1.147 480 T CA 1.034 63.201 62.100 0.110 0.000 1.064 480 T CB -0.821 68.110 68.868 0.105 0.000 0.949 480 T HN 0.243 nan 8.240 nan 0.000 0.526 481 T N -0.570 113.978 114.554 -0.011 0.000 3.884 481 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 481 T C -0.141 174.529 174.700 -0.050 0.000 0.961 481 T CA -0.716 61.364 62.100 -0.033 0.000 1.071 481 T CB -0.801 68.048 68.868 -0.031 0.000 1.121 481 T HN 0.308 nan 8.240 nan 0.000 0.496 482 L N 2.715 123.898 121.223 -0.067 0.000 2.369 482 L HA 0.446 4.786 4.340 -0.000 0.000 0.279 482 L C 1.418 178.310 176.870 0.037 0.000 1.108 482 L CA -0.214 54.602 54.840 -0.039 0.000 0.852 482 L CB 0.890 42.921 42.059 -0.045 0.000 1.169 482 L HN 0.588 nan 8.230 nan 0.000 0.452 483 S N 1.385 117.153 115.700 0.114 0.000 2.619 483 S HA 0.126 4.596 4.470 -0.000 0.000 0.238 483 S C 0.369 175.101 174.600 0.221 0.000 1.068 483 S CA -0.300 58.014 58.200 0.189 0.000 0.926 483 S CB 0.493 63.742 63.200 0.081 0.000 0.864 483 S HN 0.232 nan 8.310 nan 0.000 0.493 484 V N 4.236 124.230 119.914 0.132 0.000 2.432 484 V HA 0.502 4.622 4.120 -0.000 0.000 0.271 484 V C 0.648 176.800 176.094 0.097 0.000 1.046 484 V CA 0.011 62.357 62.300 0.077 0.000 0.945 484 V CB 0.603 32.432 31.823 0.009 0.000 0.992 484 V HN 0.673 nan 8.190 nan 0.000 0.471 485 T N 1.852 116.383 114.554 -0.039 0.000 2.928 485 T HA 0.404 4.754 4.350 -0.000 0.000 0.284 485 T C 0.906 175.560 174.700 -0.077 0.000 1.008 485 T CA -0.747 61.236 62.100 -0.196 0.000 1.057 485 T CB 1.602 70.191 68.868 -0.465 0.000 1.018 485 T HN 0.534 nan 8.240 nan 0.000 0.493 486 K N 0.374 120.649 120.400 -0.208 0.000 2.026 486 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 486 K C 2.513 179.043 176.600 -0.115 0.000 1.048 486 K CA 1.162 57.323 56.287 -0.211 0.000 0.929 486 K CB -0.173 32.118 32.500 -0.349 0.000 0.713 486 K HN 0.618 nan 8.250 nan 0.000 0.439 487 R N 1.260 121.677 120.500 -0.138 0.000 2.096 487 R HA -0.114 4.226 4.340 -0.000 0.000 0.240 487 R C 1.446 177.707 176.300 -0.065 0.000 1.139 487 R CA 1.930 57.972 56.100 -0.096 0.000 0.952 487 R CB -0.265 29.974 30.300 -0.103 0.000 0.854 487 R HN 0.146 nan 8.270 nan 0.000 0.436 488 S N 0.189 115.848 115.700 -0.068 0.000 3.305 488 S HA 0.067 4.537 4.470 -0.000 0.000 0.248 488 S C 0.851 175.444 174.600 -0.013 0.000 1.288 488 S CA 0.125 58.303 58.200 -0.036 0.000 1.249 488 S CB -0.272 62.908 63.200 -0.034 0.000 1.116 488 S HN 0.489 nan 8.310 nan 0.000 0.465 489 G N 1.136 109.928 108.800 -0.014 0.000 2.093 489 G HA2 0.023 3.983 3.960 -0.000 0.000 0.268 489 G HA3 0.023 3.983 3.960 -0.000 0.000 0.268 489 G C 0.382 175.293 174.900 0.019 0.000 0.697 489 G CA 0.295 45.398 45.100 0.004 0.000 0.827 489 G HN 1.194 nan 8.290 nan 0.000 0.445 490 A N 0.170 123.008 122.820 0.030 0.000 2.289 490 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 490 A C 0.746 178.347 177.584 0.029 0.000 1.208 490 A CA -0.006 52.046 52.037 0.024 0.000 0.845 490 A CB 0.897 19.907 19.000 0.016 0.000 1.125 490 A HN 0.616 nan 8.150 nan 0.000 0.517 491 S N 0.844 116.555 115.700 0.019 0.000 2.552 491 S HA 0.208 4.678 4.470 -0.000 0.000 0.289 491 S C 1.045 175.639 174.600 -0.010 0.000 1.304 491 S CA 0.471 58.680 58.200 0.016 0.000 1.063 491 S CB -0.226 62.985 63.200 0.019 0.000 0.848 491 S HN 0.836 nan 8.310 nan 0.000 0.499 492 I N 1.717 122.265 120.570 -0.036 0.000 4.403 492 I HA 0.258 4.428 4.170 -0.000 0.000 0.331 492 I C 0.028 176.207 176.117 0.103 0.000 1.327 492 I CA -0.168 61.093 61.300 -0.065 0.000 1.175 492 I CB 0.038 37.844 38.000 -0.323 0.000 1.165 492 I HN 0.369 nan 8.210 nan 0.000 0.413 493 L N 2.165 123.483 121.223 0.158 0.000 2.855 493 L HA 0.181 4.521 4.340 -0.000 0.000 0.257 493 L C 0.997 177.913 176.870 0.076 0.000 1.206 493 L CA 1.123 56.104 54.840 0.236 0.000 1.042 493 L CB -1.262 40.907 42.059 0.183 0.000 1.321 493 L HN 0.415 nan 8.230 nan 0.000 0.417 494 Q N 1.024 120.864 119.800 0.066 0.000 2.831 494 Q HA 0.458 4.798 4.340 -0.000 0.000 0.366 494 Q C -0.123 175.892 176.000 0.026 0.000 0.899 494 Q CA -0.113 55.702 55.803 0.020 0.000 0.987 494 Q CB 1.030 29.777 28.738 0.015 0.000 1.382 494 Q HN 0.353 nan 8.270 nan 0.000 0.403 495 A N 0.323 123.154 122.820 0.017 0.000 2.911 495 A HA 0.710 5.030 4.320 -0.000 0.000 0.304 495 A C 0.174 177.737 177.584 -0.035 0.000 1.144 495 A CA 0.179 52.235 52.037 0.032 0.000 0.988 495 A CB 0.374 19.433 19.000 0.099 0.000 1.141 495 A HN 0.541 nan 8.150 nan 0.000 0.552 496 G N 0.000 108.764 108.800 -0.061 0.000 5.446 496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 496 G CA 0.000 nan 45.100 nan 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925