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 3ln1_1_A DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.630 177.584 0.076 0.000 1.274 18 A CA 0.000 52.076 52.037 0.065 0.000 0.836 18 A CB 0.000 19.042 19.000 0.070 0.000 0.831 19 N N 2.317 121.050 118.700 0.056 0.000 2.440 19 N HA 0.153 4.896 4.740 0.006 0.000 0.265 19 N C -1.513 174.017 175.510 0.033 0.000 1.239 19 N CA -0.776 52.300 53.050 0.044 0.000 0.909 19 N CB 1.297 39.799 38.487 0.024 0.000 1.066 19 N HN 0.240 nan 8.380 nan 0.000 0.474 20 P HA -0.088 nan 4.420 nan 0.000 0.219 20 P C 0.858 178.119 177.300 -0.065 0.000 1.146 20 P CA 0.964 64.100 63.100 0.060 0.000 0.808 20 P CB 0.127 31.927 31.700 0.166 0.000 0.779 21 c N -1.234 117.322 118.600 -0.073 0.000 2.576 21 c HA 0.064 4.637 4.570 0.006 0.000 0.267 21 c C 2.754 176.762 174.090 -0.136 0.000 1.364 21 c CA -0.092 56.145 56.329 -0.154 0.000 1.723 21 c CB -2.381 40.080 42.510 -0.082 0.000 1.778 21 c HN 0.353 nan 8.230 nan 0.000 0.572 22 c N 1.070 119.615 118.600 -0.091 0.000 2.432 22 c HA -0.077 4.496 4.570 0.006 0.000 0.280 22 c C 2.892 176.931 174.090 -0.085 0.000 1.353 22 c CA 1.795 58.084 56.329 -0.067 0.000 1.766 22 c CB -1.248 41.244 42.510 -0.030 0.000 1.924 22 c HN 0.820 nan 8.230 nan 0.000 0.509 23 S N 0.216 115.848 115.700 -0.113 0.000 2.562 23 S HA -0.019 4.454 4.470 0.006 0.000 0.221 23 S C 0.509 175.030 174.600 -0.131 0.000 0.975 23 S CA 0.529 58.666 58.200 -0.105 0.000 0.918 23 S CB -0.523 62.617 63.200 -0.100 0.000 0.772 23 S HN 0.673 nan 8.310 nan 0.000 0.531 24 N N 1.010 119.609 118.700 -0.168 0.000 2.783 24 N HA -0.079 4.665 4.740 0.006 0.000 0.247 24 N C -2.251 173.146 175.510 -0.188 0.000 1.089 24 N CA 0.940 53.886 53.050 -0.173 0.000 0.690 24 N CB -1.863 36.536 38.487 -0.147 0.000 0.991 24 N HN 0.420 nan 8.380 nan 0.000 0.552 25 P HA -0.050 nan 4.420 nan 0.000 0.218 25 P C 0.486 177.696 177.300 -0.151 0.000 1.148 25 P CA 0.992 63.935 63.100 -0.262 0.000 0.822 25 P CB 0.154 31.479 31.700 -0.624 0.000 0.784 26 c N 1.622 120.134 118.600 -0.147 0.000 2.514 26 c HA 0.337 4.910 4.570 0.006 0.000 0.392 26 c C 0.664 174.690 174.090 -0.108 0.000 1.294 26 c CA -0.597 55.687 56.329 -0.075 0.000 1.957 26 c CB -0.387 42.098 42.510 -0.041 0.000 2.541 26 c HN 0.238 nan 8.230 nan 0.000 0.569 27 Q N 1.535 121.260 119.800 -0.124 0.000 2.252 27 Q HA 0.349 4.693 4.340 0.006 0.000 0.256 27 Q C 0.323 176.168 176.000 -0.260 0.000 1.020 27 Q CA -0.605 55.083 55.803 -0.193 0.000 0.913 27 Q CB 0.397 29.001 28.738 -0.223 0.000 1.286 27 Q HN 0.731 nan 8.270 nan 0.000 0.480 28 N N 1.134 119.634 118.700 -0.335 0.000 2.696 28 N HA -0.246 4.498 4.740 0.006 0.000 0.249 28 N C -0.577 174.822 175.510 -0.184 0.000 1.090 28 N CA 1.089 53.911 53.050 -0.379 0.000 0.716 28 N CB -0.386 37.553 38.487 -0.914 0.000 1.020 28 N HN 0.636 nan 8.380 nan 0.000 0.548 29 R N -4.346 116.075 120.500 -0.132 0.000 3.854 29 R HA -0.113 4.230 4.340 0.006 0.000 0.430 29 R C 0.842 177.125 176.300 -0.029 0.000 1.068 29 R CA 1.017 57.075 56.100 -0.071 0.000 1.104 29 R CB -2.185 28.088 30.300 -0.045 0.000 1.729 29 R HN 0.419 nan 8.270 nan 0.000 0.533 30 G N 1.271 110.048 108.800 -0.038 0.000 2.491 30 G HA2 0.206 4.170 3.960 0.006 0.000 0.238 30 G HA3 0.206 4.170 3.960 0.006 0.000 0.238 30 G C -0.012 174.895 174.900 0.012 0.000 1.277 30 G CA -0.200 44.903 45.100 0.004 0.000 0.851 30 G HN 0.197 nan 8.290 nan 0.000 0.573 31 E N 0.033 120.261 120.200 0.045 0.000 2.197 31 E HA 0.257 4.610 4.350 0.006 0.000 0.281 31 E C -0.560 176.075 176.600 0.059 0.000 0.995 31 E CA -0.566 55.871 56.400 0.062 0.000 0.808 31 E CB 1.814 31.575 29.700 0.102 0.000 1.093 31 E HN 0.389 nan 8.360 nan 0.000 0.394 32 c N 5.072 123.691 118.600 0.032 0.000 2.347 32 c HA 0.543 5.116 4.570 0.006 0.000 0.353 32 c C -0.228 173.899 174.090 0.060 0.000 1.273 32 c CA -0.354 55.994 56.329 0.032 0.000 1.861 32 c CB -0.690 41.781 42.510 -0.066 0.000 2.420 32 c HN 0.788 nan 8.230 nan 0.000 0.542 33 M N 5.954 125.611 119.600 0.094 0.000 2.327 33 M HA 0.418 4.901 4.480 0.006 0.000 0.298 33 M C -0.069 176.283 176.300 0.087 0.000 1.065 33 M CA -0.080 55.263 55.300 0.073 0.000 0.916 33 M CB 2.014 34.649 32.600 0.059 0.000 1.630 33 M HN 0.766 nan 8.290 nan 0.000 0.442 34 S N 2.465 118.192 115.700 0.045 0.000 2.505 34 S HA 0.372 4.845 4.470 0.006 0.000 0.276 34 S C 0.143 174.741 174.600 -0.005 0.000 1.274 34 S CA -0.227 57.996 58.200 0.038 0.000 1.053 34 S CB 0.276 63.472 63.200 -0.007 0.000 0.919 34 S HN 0.731 nan 8.310 nan 0.000 0.490 35 T N -0.031 114.525 114.554 0.004 0.000 3.390 35 T HA 0.666 5.019 4.350 0.006 0.000 0.315 35 T C 0.567 175.238 174.700 -0.047 0.000 1.799 35 T CA -0.182 61.899 62.100 -0.031 0.000 1.553 35 T CB -0.571 68.283 68.868 -0.024 0.000 1.002 35 T HN 1.827 nan 8.240 nan 0.000 0.715 36 G N 0.929 109.667 108.800 -0.105 0.000 2.570 36 G HA2 -0.029 3.934 3.960 0.006 0.000 0.686 36 G HA3 -0.029 3.934 3.960 0.006 0.000 0.686 36 G C -0.166 174.676 174.900 -0.097 0.000 1.257 36 G CA -0.788 44.239 45.100 -0.120 0.000 0.846 36 G HN 0.222 nan 8.290 nan 0.000 0.627 37 F N -0.074 119.888 119.950 0.020 0.000 2.250 37 F HA 0.053 4.583 4.527 0.005 0.000 0.301 37 F C 2.175 177.996 175.800 0.034 0.000 1.077 37 F CA 1.976 59.990 58.000 0.023 0.000 1.348 37 F CB 0.215 39.226 39.000 0.018 0.000 1.040 37 F HN 0.401 nan 8.300 nan 0.000 0.509 38 D N -1.853 118.670 120.400 0.205 0.000 2.514 38 D HA 0.113 4.757 4.640 0.006 0.000 0.225 38 D C 0.226 176.600 176.300 0.123 0.000 1.159 38 D CA 0.250 54.340 54.000 0.151 0.000 0.823 38 D CB 0.316 41.192 40.800 0.127 0.000 1.097 38 D HN 0.236 nan 8.370 nan 0.000 0.519 39 Q N -0.145 119.712 119.800 0.095 0.000 2.297 39 Q HA 0.573 4.917 4.340 0.006 0.000 0.269 39 Q C -0.914 175.154 176.000 0.113 0.000 1.051 39 Q CA -0.962 54.874 55.803 0.055 0.000 0.869 39 Q CB 2.182 30.904 28.738 -0.027 0.000 1.346 39 Q HN 0.136 nan 8.270 nan 0.000 0.457 40 Y N -1.980 118.323 120.300 0.005 0.000 2.644 40 Y HA 0.832 5.385 4.550 0.005 0.000 0.338 40 Y C -1.460 174.441 175.900 0.002 0.000 1.119 40 Y CA -1.355 56.744 58.100 -0.001 0.000 1.060 40 Y CB 1.581 40.041 38.460 -0.000 0.000 1.294 40 Y HN 0.572 nan 8.280 nan 0.000 0.472 41 K N 0.939 121.453 120.400 0.191 0.000 2.498 41 K HA 0.746 5.069 4.320 0.006 0.000 0.254 41 K C -2.211 174.515 176.600 0.210 0.000 0.933 41 K CA -0.365 55.976 56.287 0.091 0.000 0.806 41 K CB 1.952 34.461 32.500 0.014 0.000 1.301 41 K HN 0.948 nan 8.250 nan 0.000 0.432 42 c N 2.536 121.242 118.600 0.177 0.000 2.319 42 c HA 0.425 4.998 4.570 0.006 0.000 0.335 42 c C -0.761 173.386 174.090 0.096 0.000 1.274 42 c CA -0.641 55.775 56.329 0.145 0.000 1.806 42 c CB 0.580 43.179 42.510 0.148 0.000 2.329 42 c HN 0.796 nan 8.230 nan 0.000 0.524 43 D N 1.635 122.085 120.400 0.082 0.000 2.313 43 D HA 0.251 4.895 4.640 0.006 0.000 0.239 43 D C 0.230 176.574 176.300 0.073 0.000 1.142 43 D CA -0.267 53.775 54.000 0.070 0.000 0.847 43 D CB 0.919 41.756 40.800 0.062 0.000 1.082 43 D HN 0.651 nan 8.370 nan 0.000 0.480 44 c N 2.539 121.190 118.600 0.086 0.000 2.906 44 c HA 0.151 4.725 4.570 0.006 0.000 0.274 44 c C 0.707 174.859 174.090 0.103 0.000 1.257 44 c CA -0.319 56.073 56.329 0.105 0.000 1.695 44 c CB -1.253 41.347 42.510 0.150 0.000 1.958 44 c HN 0.588 nan 8.230 nan 0.000 0.619 45 T N 2.061 116.661 114.554 0.077 0.000 2.658 45 T HA -0.066 4.288 4.350 0.006 0.000 0.252 45 T C 0.978 175.718 174.700 0.066 0.000 1.021 45 T CA 0.898 63.035 62.100 0.062 0.000 1.169 45 T CB -0.171 68.723 68.868 0.043 0.000 1.015 45 T HN 0.657 nan 8.240 nan 0.000 0.489 46 R N -0.018 120.523 120.500 0.068 0.000 3.989 46 R HA -0.243 4.101 4.340 0.006 0.000 0.377 46 R C 1.781 178.132 176.300 0.086 0.000 1.158 46 R CA 1.347 57.484 56.100 0.062 0.000 1.035 46 R CB -2.295 28.030 30.300 0.042 0.000 1.557 46 R HN 0.938 nan 8.270 nan 0.000 0.551 47 T N -4.542 110.086 114.554 0.124 0.000 2.985 47 T HA 0.185 4.538 4.350 0.006 0.000 0.266 47 T C 1.527 176.396 174.700 0.282 0.000 1.076 47 T CA 1.181 63.389 62.100 0.179 0.000 1.135 47 T CB 0.599 69.576 68.868 0.183 0.000 0.890 47 T HN 0.688 nan 8.240 nan 0.000 0.480 48 G N 0.536 109.461 108.800 0.208 0.000 2.176 48 G HA2 -0.117 3.846 3.960 0.006 0.000 0.232 48 G HA3 -0.117 3.846 3.960 0.006 0.000 0.232 48 G C -0.147 174.701 174.900 -0.086 0.000 0.986 48 G CA -0.095 45.044 45.100 0.065 0.000 0.643 48 G HN 0.543 nan 8.290 nan 0.000 0.522 49 F N -0.282 119.700 119.950 0.054 0.000 2.620 49 F HA 0.820 5.350 4.527 0.005 0.000 0.320 49 F C 0.313 176.182 175.800 0.114 0.000 1.069 49 F CA -1.278 56.727 58.000 0.009 0.000 0.953 49 F CB 1.340 40.307 39.000 -0.054 0.000 1.322 49 F HN 0.244 nan 8.300 nan 0.000 0.479 50 Y N -1.104 119.320 120.300 0.207 0.000 2.876 50 Y HA 0.954 5.507 4.550 0.006 0.000 0.317 50 Y C 0.084 176.055 175.900 0.119 0.000 1.369 50 Y CA -1.757 56.420 58.100 0.128 0.000 1.101 50 Y CB 1.097 39.602 38.460 0.074 0.000 1.346 50 Y HN 1.034 nan 8.280 nan 0.000 0.505 51 G N 0.038 109.016 108.800 0.297 0.000 2.555 51 G HA2 -0.187 3.776 3.960 0.006 0.000 0.686 51 G HA3 -0.187 3.776 3.960 0.006 0.000 0.686 51 G C 0.116 175.084 174.900 0.114 0.000 1.275 51 G CA -0.158 45.038 45.100 0.160 0.000 0.871 51 G HN 1.079 nan 8.290 nan 0.000 0.603 52 E N -0.417 119.830 120.200 0.080 0.000 2.219 52 E HA -0.152 4.201 4.350 0.006 0.000 0.198 52 E C 1.290 177.956 176.600 0.111 0.000 0.998 52 E CA 1.513 57.948 56.400 0.059 0.000 0.818 52 E CB -0.058 29.654 29.700 0.021 0.000 0.741 52 E HN 0.387 nan 8.360 nan 0.000 0.477 53 N N -0.957 117.802 118.700 0.099 0.000 2.241 53 N HA 0.077 4.820 4.740 0.006 0.000 0.238 53 N C -0.656 174.870 175.510 0.026 0.000 1.244 53 N CA 0.293 53.398 53.050 0.093 0.000 0.880 53 N CB 0.681 39.212 38.487 0.073 0.000 1.179 53 N HN 0.084 nan 8.380 nan 0.000 0.513 54 c N 1.048 119.677 118.600 0.047 0.000 4.167 54 c HA -0.119 4.454 4.570 0.006 0.000 0.302 54 c C 1.749 175.801 174.090 -0.063 0.000 1.384 54 c CA 1.188 57.539 56.329 0.037 0.000 2.041 54 c CB -3.080 39.432 42.510 0.004 0.000 1.303 54 c HN 0.573 nan 8.230 nan 0.000 0.718 55 T N -4.951 109.598 114.554 -0.008 0.000 2.985 55 T HA 0.162 4.515 4.350 0.006 0.000 0.254 55 T C 0.331 175.123 174.700 0.153 0.000 1.021 55 T CA 0.536 62.631 62.100 -0.007 0.000 0.957 55 T CB 0.239 69.089 68.868 -0.030 0.000 1.047 55 T HN 0.540 nan 8.240 nan 0.000 0.511 56 T N 5.680 120.243 114.554 0.014 0.000 2.728 56 T HA 0.423 4.776 4.350 0.006 0.000 0.296 56 T C -2.695 171.796 174.700 -0.347 0.000 0.940 56 T CA -1.261 60.705 62.100 -0.224 0.000 1.013 56 T CB 1.318 69.853 68.868 -0.555 0.000 0.912 56 T HN 0.189 nan 8.240 nan 0.000 0.484 57 P HA 0.255 nan 4.420 nan 0.000 0.278 57 P C -0.252 176.843 177.300 -0.342 0.000 1.238 57 P CA -0.492 62.214 63.100 -0.657 0.000 0.794 57 P CB 1.017 32.403 31.700 -0.523 0.000 0.955 58 E N 0.881 120.932 120.200 -0.248 0.000 2.349 58 E HA 0.069 4.423 4.350 0.006 0.000 0.265 58 E C 0.769 177.379 176.600 0.016 0.000 1.064 58 E CA -0.433 56.006 56.400 0.065 0.000 0.886 58 E CB 0.209 29.961 29.700 0.086 0.000 1.036 58 E HN 0.357 nan 8.360 nan 0.000 0.413 59 F N 2.490 122.430 119.950 -0.017 0.000 2.043 59 F HA -0.277 4.253 4.527 0.005 0.000 0.297 59 F C 1.795 177.559 175.800 -0.060 0.000 1.118 59 F CA 1.742 59.721 58.000 -0.035 0.000 1.202 59 F CB -0.357 38.635 39.000 -0.013 0.000 0.965 59 F HN 0.487 nan 8.300 nan 0.000 0.482 60 L N 0.180 121.281 121.223 -0.202 0.000 2.187 60 L HA -0.169 4.175 4.340 0.006 0.000 0.213 60 L C 2.073 178.769 176.870 -0.289 0.000 1.100 60 L CA 2.504 57.159 54.840 -0.309 0.000 0.765 60 L CB -1.400 40.589 42.059 -0.118 0.000 0.904 60 L HN 0.252 nan 8.230 nan 0.000 0.437 61 T N -0.257 114.143 114.554 -0.255 0.000 2.904 61 T HA -0.089 4.264 4.350 0.006 0.000 0.267 61 T C 1.855 176.392 174.700 -0.271 0.000 1.059 61 T CA 1.372 63.299 62.100 -0.288 0.000 1.137 61 T CB -0.134 68.449 68.868 -0.475 0.000 0.879 61 T HN 0.476 nan 8.240 nan 0.000 0.467 62 R N 0.454 120.789 120.500 -0.274 0.000 2.090 62 R HA 0.065 4.408 4.340 0.006 0.000 0.228 62 R C 2.134 178.312 176.300 -0.202 0.000 1.110 62 R CA 0.874 56.852 56.100 -0.204 0.000 0.973 62 R CB -0.624 29.585 30.300 -0.150 0.000 0.869 62 R HN 0.297 nan 8.270 nan 0.000 0.440 63 I N 1.969 122.358 120.570 -0.302 0.000 2.099 63 I HA -0.302 3.871 4.170 0.006 0.000 0.239 63 I C 2.233 178.253 176.117 -0.161 0.000 1.066 63 I CA 1.721 62.871 61.300 -0.250 0.000 1.324 63 I CB -0.351 37.458 38.000 -0.317 0.000 1.037 63 I HN 0.043 nan 8.210 nan 0.000 0.401 64 K N 0.158 120.460 120.400 -0.163 0.000 2.074 64 K HA -0.164 4.160 4.320 0.006 0.000 0.209 64 K C 2.035 178.589 176.600 -0.077 0.000 1.048 64 K CA 1.399 57.618 56.287 -0.112 0.000 0.926 64 K CB -0.451 31.978 32.500 -0.119 0.000 0.713 64 K HN 0.309 nan 8.250 nan 0.000 0.444 65 L N 0.499 121.676 121.223 -0.078 0.000 2.456 65 L HA -0.141 4.202 4.340 0.006 0.000 0.224 65 L C 1.727 178.580 176.870 -0.029 0.000 1.148 65 L CA 0.386 55.207 54.840 -0.033 0.000 0.825 65 L CB -0.112 41.936 42.059 -0.018 0.000 0.937 65 L HN 0.145 nan 8.230 nan 0.000 0.450 66 L N -1.459 119.735 121.223 -0.049 0.000 2.470 66 L HA 0.027 4.370 4.340 0.006 0.000 0.219 66 L C 1.392 178.241 176.870 -0.036 0.000 1.071 66 L CA 0.869 55.685 54.840 -0.039 0.000 0.850 66 L CB -0.001 42.031 42.059 -0.046 0.000 1.040 66 L HN 0.085 nan 8.230 nan 0.000 0.475 67 L N -0.459 120.736 121.223 -0.046 0.000 2.653 67 L HA 0.183 4.527 4.340 0.006 0.000 0.232 67 L C 0.646 177.500 176.870 -0.026 0.000 1.169 67 L CA 0.374 55.189 54.840 -0.041 0.000 0.951 67 L CB -0.816 41.210 42.059 -0.055 0.000 1.181 67 L HN 0.026 nan 8.230 nan 0.000 0.460 68 K N 2.225 122.617 120.400 -0.014 0.000 2.367 68 K HA 0.400 4.723 4.320 0.006 0.000 0.263 68 K C -2.347 174.267 176.600 0.023 0.000 1.000 68 K CA -1.538 54.755 56.287 0.010 0.000 0.891 68 K CB 1.415 33.924 32.500 0.015 0.000 1.117 68 K HN -0.085 nan 8.250 nan 0.000 0.443 69 P HA 0.035 nan 4.420 nan 0.000 0.274 69 P C -0.313 177.025 177.300 0.063 0.000 1.231 69 P CA -0.289 62.837 63.100 0.044 0.000 0.790 69 P CB 0.770 32.500 31.700 0.051 0.000 0.951 70 T N -0.783 113.805 114.554 0.057 0.000 2.856 70 T HA 0.153 4.507 4.350 0.006 0.000 0.306 70 T C -1.757 173.000 174.700 0.096 0.000 1.062 70 T CA -1.191 60.947 62.100 0.065 0.000 1.083 70 T CB -0.046 68.850 68.868 0.048 0.000 0.984 70 T HN 0.169 nan 8.240 nan 0.000 0.542 71 P HA -0.054 nan 4.420 nan 0.000 0.218 71 P C 1.429 178.826 177.300 0.162 0.000 1.148 71 P CA 0.778 63.954 63.100 0.127 0.000 0.822 71 P CB 0.001 31.760 31.700 0.097 0.000 0.784 72 N N -1.392 117.388 118.700 0.134 0.000 2.244 72 N HA -0.075 4.669 4.740 0.006 0.000 0.183 72 N C 1.597 177.235 175.510 0.214 0.000 1.016 72 N CA 1.336 54.487 53.050 0.168 0.000 0.866 72 N CB -0.875 37.680 38.487 0.113 0.000 0.980 72 N HN 0.163 nan 8.380 nan 0.000 0.430 73 T N 0.963 115.611 114.554 0.156 0.000 2.701 73 T HA -0.033 4.320 4.350 0.006 0.000 0.263 73 T C 2.214 177.056 174.700 0.236 0.000 1.040 73 T CA 0.827 63.020 62.100 0.157 0.000 1.147 73 T CB -0.327 68.594 68.868 0.087 0.000 0.865 73 T HN -0.062 nan 8.240 nan 0.000 0.426 74 V N 1.507 121.541 119.914 0.200 0.000 2.287 74 V HA -0.249 3.874 4.120 0.006 0.000 0.248 74 V C 2.389 178.603 176.094 0.200 0.000 1.053 74 V CA 1.904 64.319 62.300 0.191 0.000 1.027 74 V CB -0.786 31.145 31.823 0.181 0.000 0.646 74 V HN 0.650 nan 8.190 nan 0.000 0.447 75 H N -1.268 117.896 119.070 0.157 0.000 2.352 75 H HA -0.271 4.288 4.556 0.005 0.000 0.299 75 H C 2.316 177.768 175.328 0.207 0.000 1.097 75 H CA 2.504 58.647 56.048 0.159 0.000 1.311 75 H CB -0.141 29.741 29.762 0.200 0.000 1.377 75 H HN 0.553 nan 8.280 nan 0.000 0.504 76 Y N 1.224 121.621 120.300 0.162 0.000 2.165 76 Y HA -0.195 4.359 4.550 0.006 0.000 0.286 76 Y C 2.556 178.639 175.900 0.304 0.000 1.155 76 Y CA 1.876 60.093 58.100 0.194 0.000 1.164 76 Y CB -0.399 38.127 38.460 0.110 0.000 0.978 76 Y HN 0.147 nan 8.280 nan 0.000 0.513 77 I N -0.763 120.044 120.570 0.395 0.000 2.439 77 I HA -0.243 3.930 4.170 0.006 0.000 0.251 77 I C 1.686 178.095 176.117 0.486 0.000 1.139 77 I CA 0.416 62.016 61.300 0.500 0.000 1.438 77 I CB -0.298 37.922 38.000 0.368 0.000 1.085 77 I HN 0.242 nan 8.210 nan 0.000 0.427 78 L N 0.530 121.781 121.223 0.047 0.000 2.291 78 L HA -0.072 4.271 4.340 0.006 0.000 0.214 78 L C 2.280 178.913 176.870 -0.395 0.000 1.120 78 L CA 1.931 56.511 54.840 -0.432 0.000 0.799 78 L CB -1.361 40.014 42.059 -1.139 0.000 0.925 78 L HN 0.399 nan 8.230 nan 0.000 0.446 79 T N -5.316 109.084 114.554 -0.257 0.000 3.129 79 T HA 0.236 4.589 4.350 0.006 0.000 0.267 79 T C 0.471 174.927 174.700 -0.408 0.000 1.018 79 T CA -0.265 61.554 62.100 -0.468 0.000 0.903 79 T CB 0.031 68.543 68.868 -0.594 0.000 1.067 79 T HN 0.202 nan 8.240 nan 0.000 0.549 80 H N -0.575 118.507 119.070 0.021 0.000 3.196 80 H HA 0.609 5.169 4.556 0.005 0.000 0.303 80 H C -0.512 174.988 175.328 0.286 0.000 1.605 80 H CA -1.765 54.230 56.048 -0.090 0.000 1.351 80 H CB 0.264 29.515 29.762 -0.850 0.000 1.860 80 H HN 0.026 nan 8.280 nan 0.000 0.697 81 F N -0.478 119.611 119.950 0.232 0.000 3.027 81 F HA -0.271 4.259 4.527 0.005 0.000 0.276 81 F C 1.653 177.503 175.800 0.083 0.000 0.967 81 F CA 0.740 58.794 58.000 0.091 0.000 0.929 81 F CB -1.154 37.836 39.000 -0.016 0.000 0.873 81 F HN 0.511 nan 8.300 nan 0.000 0.787 82 K N 1.069 121.484 120.400 0.024 0.000 2.173 82 K HA -0.177 4.146 4.320 0.006 0.000 0.207 82 K C 2.246 178.839 176.600 -0.011 0.000 1.046 82 K CA 1.819 57.966 56.287 -0.234 0.000 0.929 82 K CB -0.550 31.634 32.500 -0.527 0.000 0.720 82 K HN 0.577 nan 8.250 nan 0.000 0.453 83 G N 0.018 108.826 108.800 0.013 0.000 2.404 83 G HA2 -0.187 3.776 3.960 0.006 0.000 0.215 83 G HA3 -0.187 3.776 3.960 0.006 0.000 0.215 83 G C 1.446 176.357 174.900 0.018 0.000 1.174 83 G CA 0.884 45.995 45.100 0.018 0.000 0.780 83 G HN 0.204 nan 8.290 nan 0.000 0.537 84 V N -0.300 119.603 119.914 -0.019 0.000 2.295 84 V HA -0.168 3.956 4.120 0.006 0.000 0.246 84 V C 2.438 178.452 176.094 -0.133 0.000 1.049 84 V CA 1.714 63.922 62.300 -0.153 0.000 1.024 84 V CB -0.781 30.834 31.823 -0.347 0.000 0.648 84 V HN 0.585 nan 8.190 nan 0.000 0.447 85 W N 0.297 121.645 121.300 0.080 0.000 2.374 85 W HA -0.164 4.499 4.660 0.005 0.000 0.288 85 W C 2.444 179.023 176.519 0.099 0.000 1.218 85 W CA 1.362 58.781 57.345 0.123 0.000 1.245 85 W CB -0.549 29.027 29.460 0.192 0.000 1.126 85 W HN 0.256 nan 8.180 nan 0.000 0.545 86 N N 0.461 119.308 118.700 0.245 0.000 2.223 86 N HA -0.167 4.576 4.740 0.006 0.000 0.185 86 N C 1.464 177.045 175.510 0.118 0.000 1.016 86 N CA 1.546 54.687 53.050 0.151 0.000 0.863 86 N CB -0.260 38.276 38.487 0.082 0.000 0.983 86 N HN 0.075 nan 8.380 nan 0.000 0.429 87 I N -1.036 119.586 120.570 0.086 0.000 2.277 87 I HA -0.157 4.016 4.170 0.006 0.000 0.243 87 I C 1.836 178.003 176.117 0.083 0.000 1.094 87 I CA 0.458 61.792 61.300 0.058 0.000 1.393 87 I CB -0.099 37.907 38.000 0.010 0.000 1.078 87 I HN -0.008 nan 8.210 nan 0.000 0.417 88 V N 1.375 121.352 119.914 0.104 0.000 2.343 88 V HA -0.273 3.850 4.120 0.006 0.000 0.247 88 V C 1.991 178.226 176.094 0.236 0.000 1.051 88 V CA 1.794 64.186 62.300 0.154 0.000 1.036 88 V CB -0.835 31.110 31.823 0.203 0.000 0.654 88 V HN 0.460 nan 8.190 nan 0.000 0.451 89 N N 0.801 119.666 118.700 0.275 0.000 2.519 89 N HA -0.102 4.641 4.740 0.006 0.000 0.186 89 N C 1.243 176.831 175.510 0.131 0.000 1.062 89 N CA 0.912 54.086 53.050 0.207 0.000 0.910 89 N CB -0.313 38.272 38.487 0.164 0.000 0.958 89 N HN 0.526 nan 8.380 nan 0.000 0.445 90 N N -0.054 118.718 118.700 0.119 0.000 2.184 90 N HA 0.187 4.930 4.740 0.006 0.000 0.206 90 N C -0.263 175.304 175.510 0.094 0.000 1.151 90 N CA 0.002 53.106 53.050 0.091 0.000 0.878 90 N CB 1.366 39.897 38.487 0.074 0.000 1.014 90 N HN 0.198 nan 8.380 nan 0.000 0.512 91 I N 2.179 122.815 120.570 0.110 0.000 2.361 91 I HA 0.211 4.384 4.170 0.006 0.000 0.282 91 I C -1.534 174.668 176.117 0.142 0.000 1.075 91 I CA -1.873 59.503 61.300 0.126 0.000 1.205 91 I CB 1.780 39.854 38.000 0.123 0.000 1.406 91 I HN -0.319 nan 8.210 nan 0.000 0.481 92 P HA -0.268 nan 4.420 nan 0.000 0.218 92 P C 1.540 178.949 177.300 0.181 0.000 1.152 92 P CA 1.624 64.813 63.100 0.148 0.000 0.857 92 P CB 0.046 31.829 31.700 0.137 0.000 0.787 93 F N -1.016 118.980 119.950 0.076 0.000 2.367 93 F HA -0.002 4.528 4.527 0.006 0.000 0.298 93 F C 1.798 177.646 175.800 0.080 0.000 1.094 93 F CA 0.984 59.026 58.000 0.071 0.000 1.409 93 F CB -0.832 38.199 39.000 0.053 0.000 1.064 93 F HN -0.219 nan 8.300 nan 0.000 0.528 94 L N 0.191 121.154 121.223 -0.433 0.000 2.068 94 L HA -0.031 4.312 4.340 0.006 0.000 0.204 94 L C 2.838 179.642 176.870 -0.109 0.000 1.076 94 L CA 1.027 55.592 54.840 -0.457 0.000 0.753 94 L CB -0.529 41.396 42.059 -0.223 0.000 0.910 94 L HN 0.077 nan 8.230 nan 0.000 0.439 95 R N -0.534 120.022 120.500 0.092 0.000 2.103 95 R HA -0.190 4.154 4.340 0.006 0.000 0.242 95 R C 2.310 178.764 176.300 0.256 0.000 1.142 95 R CA 1.942 58.234 56.100 0.320 0.000 0.960 95 R CB -0.103 30.347 30.300 0.250 0.000 0.858 95 R HN 0.228 nan 8.270 nan 0.000 0.439 96 S N 0.793 116.560 115.700 0.111 0.000 2.368 96 S HA -0.097 4.377 4.470 0.006 0.000 0.224 96 S C 1.770 176.400 174.600 0.050 0.000 1.029 96 S CA 0.960 59.216 58.200 0.093 0.000 0.988 96 S CB -0.171 63.086 63.200 0.094 0.000 0.838 96 S HN 0.363 nan 8.310 nan 0.000 0.462 97 L N 1.134 122.318 121.223 -0.064 0.000 2.131 97 L HA -0.087 4.257 4.340 0.006 0.000 0.210 97 L C 1.773 178.626 176.870 -0.028 0.000 1.092 97 L CA 1.058 55.847 54.840 -0.086 0.000 0.759 97 L CB -0.201 41.696 42.059 -0.271 0.000 0.903 97 L HN 0.281 nan 8.230 nan 0.000 0.435 98 I N -0.904 119.637 120.570 -0.048 0.000 2.233 98 I HA -0.258 3.915 4.170 0.006 0.000 0.243 98 I C 2.448 178.574 176.117 0.015 0.000 1.093 98 I CA 1.231 62.453 61.300 -0.131 0.000 1.380 98 I CB -0.852 36.821 38.000 -0.544 0.000 1.067 98 I HN 0.385 nan 8.210 nan 0.000 0.413 99 M N 1.385 121.113 119.600 0.214 0.000 2.159 99 M HA -0.206 4.277 4.480 0.006 0.000 0.263 99 M C 2.203 178.588 176.300 0.143 0.000 1.063 99 M CA 1.756 57.240 55.300 0.307 0.000 1.110 99 M CB -0.569 32.233 32.600 0.338 0.000 1.374 99 M HN 0.105 nan 8.290 nan 0.000 0.411 100 K N -1.317 119.145 120.400 0.104 0.000 2.097 100 K HA -0.246 4.077 4.320 0.006 0.000 0.206 100 K C 2.104 178.749 176.600 0.074 0.000 1.049 100 K CA 1.733 58.054 56.287 0.057 0.000 0.933 100 K CB -0.572 31.961 32.500 0.054 0.000 0.717 100 K HN 0.511 nan 8.250 nan 0.000 0.442 101 Y N 1.158 121.454 120.300 -0.006 0.000 2.263 101 Y HA -0.150 4.403 4.550 0.005 0.000 0.292 101 Y C 1.890 177.803 175.900 0.022 0.000 1.130 101 Y CA 1.365 59.462 58.100 -0.005 0.000 1.179 101 Y CB -0.287 38.151 38.460 -0.037 0.000 0.998 101 Y HN -0.017 nan 8.280 nan 0.000 0.532 102 V N -0.938 118.883 119.914 -0.154 0.000 2.427 102 V HA -0.185 3.938 4.120 0.006 0.000 0.248 102 V C 2.020 178.031 176.094 -0.139 0.000 1.051 102 V CA 1.722 63.900 62.300 -0.204 0.000 1.048 102 V CB -0.931 30.937 31.823 0.074 0.000 0.666 102 V HN 0.372 nan 8.190 nan 0.000 0.456 103 L N 2.021 123.205 121.223 -0.064 0.000 1.976 103 L HA -0.088 4.255 4.340 0.006 0.000 0.209 103 L C 3.041 179.869 176.870 -0.070 0.000 1.071 103 L CA 2.984 57.787 54.840 -0.061 0.000 0.746 103 L CB -1.519 40.487 42.059 -0.089 0.000 0.890 103 L HN 0.723 nan 8.230 nan 0.000 0.432 104 T N -4.115 110.393 114.554 -0.077 0.000 2.942 104 T HA -0.093 4.260 4.350 0.006 0.000 0.265 104 T C 2.012 176.708 174.700 -0.007 0.000 1.062 104 T CA 0.937 63.029 62.100 -0.014 0.000 1.139 104 T CB -0.655 68.224 68.868 0.018 0.000 0.883 104 T HN 0.374 nan 8.240 nan 0.000 0.468 105 S N 1.724 117.331 115.700 -0.155 0.000 2.400 105 S HA -0.096 4.378 4.470 0.006 0.000 0.232 105 S C 2.189 176.850 174.600 0.103 0.000 1.025 105 S CA 0.791 58.923 58.200 -0.113 0.000 0.993 105 S CB -0.427 62.473 63.200 -0.500 0.000 0.808 105 S HN 0.414 nan 8.310 nan 0.000 0.478 106 R N 0.875 121.378 120.500 0.005 0.000 2.161 106 R HA 0.287 4.630 4.340 0.006 0.000 0.213 106 R C 2.641 178.904 176.300 -0.061 0.000 1.055 106 R CA 0.821 56.905 56.100 -0.027 0.000 0.996 106 R CB -0.660 29.611 30.300 -0.048 0.000 0.901 106 R HN 0.405 nan 8.270 nan 0.000 0.456 107 S N 0.131 115.863 115.700 0.054 0.000 2.381 107 S HA -0.264 4.209 4.470 0.006 0.000 0.230 107 S C 1.583 176.176 174.600 -0.011 0.000 1.052 107 S CA 1.925 60.168 58.200 0.071 0.000 1.068 107 S CB -0.406 62.900 63.200 0.177 0.000 0.918 107 S HN 0.616 nan 8.310 nan 0.000 0.448 108 Y N -0.027 120.251 120.300 -0.037 0.000 2.651 108 Y HA 0.125 4.678 4.550 0.005 0.000 0.296 108 Y C 1.421 177.258 175.900 -0.106 0.000 1.150 108 Y CA 0.365 58.430 58.100 -0.058 0.000 1.348 108 Y CB -0.188 38.249 38.460 -0.039 0.000 0.983 108 Y HN 0.135 nan 8.280 nan 0.000 0.555 109 L N 0.975 121.735 121.223 -0.771 0.000 2.558 109 L HA 0.182 4.526 4.340 0.006 0.000 0.225 109 L C 0.088 176.646 176.870 -0.521 0.000 1.128 109 L CA 0.144 54.502 54.840 -0.804 0.000 0.868 109 L CB -0.470 41.139 42.059 -0.749 0.000 1.006 109 L HN 0.283 nan 8.230 nan 0.000 0.454 110 I N -0.024 120.352 120.570 -0.323 0.000 2.433 110 I HA 0.236 4.409 4.170 0.006 0.000 0.292 110 I C -0.366 175.668 176.117 -0.139 0.000 1.001 110 I CA -1.004 60.173 61.300 -0.205 0.000 1.119 110 I CB 1.642 39.556 38.000 -0.142 0.000 1.289 110 I HN -0.118 nan 8.210 nan 0.000 0.438 111 D N 4.150 124.491 120.400 -0.097 0.000 2.371 111 D HA 0.242 4.885 4.640 0.006 0.000 0.256 111 D C 0.082 176.328 176.300 -0.090 0.000 1.193 111 D CA 0.472 54.416 54.000 -0.092 0.000 0.881 111 D CB 1.113 41.858 40.800 -0.091 0.000 1.143 111 D HN 0.395 nan 8.370 nan 0.000 0.473 112 S N 2.476 118.112 115.700 -0.107 0.000 2.706 112 S HA 0.395 4.868 4.470 0.006 0.000 0.270 112 S C -2.737 171.796 174.600 -0.111 0.000 1.163 112 S CA -1.258 56.873 58.200 -0.116 0.000 1.042 112 S CB 0.795 63.895 63.200 -0.168 0.000 1.079 112 S HN 0.012 nan 8.310 nan 0.000 0.474 113 P HA 0.214 nan 4.420 nan 0.000 0.267 113 P C -2.508 174.758 177.300 -0.058 0.000 1.201 113 P CA -0.695 62.383 63.100 -0.037 0.000 0.775 113 P CB -0.116 31.566 31.700 -0.029 0.000 0.854 114 P HA -0.003 nan 4.420 nan 0.000 0.272 114 P C 0.169 177.394 177.300 -0.125 0.000 1.240 114 P CA 0.107 63.155 63.100 -0.087 0.000 0.791 114 P CB 0.667 32.295 31.700 -0.120 0.000 0.978 115 T N -1.720 112.712 114.554 -0.203 0.000 3.463 115 T HA 0.189 4.542 4.350 0.006 0.000 0.203 115 T C 0.615 175.093 174.700 -0.369 0.000 0.955 115 T CA 0.170 62.031 62.100 -0.398 0.000 1.230 115 T CB -0.750 67.687 68.868 -0.717 0.000 1.392 115 T HN 0.264 nan 8.240 nan 0.000 0.361 116 Y N 3.385 123.638 120.300 -0.079 0.000 2.408 116 Y HA 0.637 5.191 4.550 0.006 0.000 0.324 116 Y C 0.755 176.578 175.900 -0.129 0.000 1.302 116 Y CA -0.596 57.446 58.100 -0.097 0.000 1.384 116 Y CB 0.662 39.083 38.460 -0.064 0.000 1.367 116 Y HN 0.740 nan 8.280 nan 0.000 0.525 117 N N -2.883 115.831 118.700 0.025 0.000 3.243 117 N HA 0.092 4.836 4.740 0.006 0.000 0.280 117 N C -0.297 175.149 175.510 -0.105 0.000 1.545 117 N CA -0.668 52.316 53.050 -0.110 0.000 0.854 117 N CB 0.525 38.780 38.487 -0.388 0.000 1.612 117 N HN 0.428 nan 8.380 nan 0.000 0.577 118 V N -0.126 119.702 119.914 -0.143 0.000 2.546 118 V HA -0.234 3.889 4.120 0.006 0.000 0.254 118 V C 1.106 177.182 176.094 -0.030 0.000 1.076 118 V CA 2.107 64.354 62.300 -0.088 0.000 1.087 118 V CB -0.920 30.806 31.823 -0.161 0.000 0.674 118 V HN 0.721 nan 8.190 nan 0.000 0.470 119 H N -3.295 115.692 119.070 -0.137 0.000 2.622 119 H HA 0.247 4.806 4.556 0.005 0.000 0.269 119 H C -0.555 174.378 175.328 -0.658 0.000 0.977 119 H CA -0.125 55.741 56.048 -0.303 0.000 1.179 119 H CB 0.473 30.074 29.762 -0.268 0.000 1.458 119 H HN 0.476 nan 8.280 nan 0.000 0.531 120 Y N -0.253 119.969 120.300 -0.130 0.000 2.329 120 Y HA 0.317 4.870 4.550 0.006 0.000 0.328 120 Y C 0.804 176.594 175.900 -0.184 0.000 0.992 120 Y CA -0.809 57.108 58.100 -0.305 0.000 1.151 120 Y CB 2.023 40.235 38.460 -0.414 0.000 1.150 120 Y HN 0.066 nan 8.280 nan 0.000 0.450 121 G N 2.361 111.108 108.800 -0.089 0.000 3.126 121 G HA2 0.142 4.106 3.960 0.006 0.000 0.224 121 G HA3 0.142 4.106 3.960 0.006 0.000 0.224 121 G C -0.550 174.452 174.900 0.170 0.000 1.142 121 G CA 0.153 45.225 45.100 -0.046 0.000 0.759 121 G HN 0.565 nan 8.290 nan 0.000 0.550 122 Y N -1.911 118.601 120.300 0.353 0.000 2.524 122 Y HA 0.698 5.252 4.550 0.005 0.000 0.347 122 Y C -0.217 175.860 175.900 0.295 0.000 1.005 122 Y CA -2.181 56.140 58.100 0.369 0.000 1.025 122 Y CB 1.003 39.587 38.460 0.207 0.000 1.275 122 Y HN -0.229 nan 8.280 nan 0.000 0.460 123 K N 2.270 122.802 120.400 0.221 0.000 2.448 123 K HA 0.436 4.759 4.320 0.006 0.000 0.278 123 K C -0.284 176.367 176.600 0.085 0.000 1.009 123 K CA 0.371 56.648 56.287 -0.017 0.000 0.995 123 K CB 0.484 32.935 32.500 -0.081 0.000 0.917 123 K HN 0.899 nan 8.250 nan 0.000 0.481 124 S N 1.139 116.784 115.700 -0.092 0.000 2.607 124 S HA 0.218 4.691 4.470 0.006 0.000 0.273 124 S C 0.040 174.600 174.600 -0.066 0.000 1.148 124 S CA -1.126 57.043 58.200 -0.052 0.000 0.833 124 S CB 0.700 63.722 63.200 -0.297 0.000 1.130 124 S HN 0.882 nan 8.310 nan 0.000 0.470 125 W N 1.081 122.334 121.300 -0.078 0.000 2.425 125 W HA -0.047 4.617 4.660 0.006 0.000 0.277 125 W C 1.492 177.992 176.519 -0.031 0.000 1.231 125 W CA 2.032 59.378 57.345 0.003 0.000 1.248 125 W CB -0.090 29.384 29.460 0.025 0.000 1.117 125 W HN 1.031 nan 8.180 nan 0.000 0.568 126 E N 0.952 121.090 120.200 -0.104 0.000 2.051 126 E HA -0.155 4.198 4.350 0.006 0.000 0.192 126 E C 2.256 178.625 176.600 -0.385 0.000 0.991 126 E CA 2.398 58.676 56.400 -0.204 0.000 0.799 126 E CB -0.693 28.841 29.700 -0.277 0.000 0.748 126 E HN 0.074 nan 8.360 nan 0.000 0.449 127 A N 0.027 122.486 122.820 -0.601 0.000 1.877 127 A HA -0.127 4.197 4.320 0.006 0.000 0.216 127 A C 2.247 179.602 177.584 -0.382 0.000 1.186 127 A CA 1.519 53.247 52.037 -0.516 0.000 0.620 127 A CB -1.051 17.668 19.000 -0.468 0.000 0.822 127 A HN 0.488 nan 8.150 nan 0.000 0.443 128 F N 2.018 121.654 119.950 -0.522 0.000 2.134 128 F HA -0.175 4.356 4.527 0.005 0.000 0.299 128 F C 2.573 178.029 175.800 -0.574 0.000 1.097 128 F CA 2.179 59.835 58.000 -0.573 0.000 1.264 128 F CB -0.320 38.226 39.000 -0.757 0.000 1.001 128 F HN 0.287 nan 8.300 nan 0.000 0.479 129 S N -0.766 114.401 115.700 -0.888 0.000 2.478 129 S HA -0.004 4.469 4.470 0.006 0.000 0.222 129 S C 0.905 175.264 174.600 -0.401 0.000 1.008 129 S CA 0.009 57.732 58.200 -0.794 0.000 0.928 129 S CB -0.723 62.224 63.200 -0.423 0.000 0.781 129 S HN 0.372 nan 8.310 nan 0.000 0.518 130 N N 1.873 120.442 118.700 -0.219 0.000 2.402 130 N HA 0.246 4.990 4.740 0.006 0.000 0.252 130 N C 0.408 175.925 175.510 0.012 0.000 1.118 130 N CA -0.138 52.919 53.050 0.010 0.000 0.945 130 N CB 0.599 39.249 38.487 0.272 0.000 1.147 130 N HN 0.362 nan 8.380 nan 0.000 0.495 131 L N 1.776 122.983 121.223 -0.027 0.000 2.552 131 L HA 0.004 4.348 4.340 0.006 0.000 0.227 131 L C 1.610 178.560 176.870 0.133 0.000 1.146 131 L CA 0.346 55.202 54.840 0.026 0.000 0.858 131 L CB 0.016 42.079 42.059 0.005 0.000 0.969 131 L HN 0.423 nan 8.230 nan 0.000 0.451 132 S N -1.546 114.183 115.700 0.048 0.000 2.527 132 S HA 0.034 4.508 4.470 0.006 0.000 0.222 132 S C 0.299 174.869 174.600 -0.051 0.000 0.985 132 S CA 0.135 58.322 58.200 -0.021 0.000 0.921 132 S CB -0.112 63.067 63.200 -0.036 0.000 0.772 132 S HN 0.225 nan 8.310 nan 0.000 0.529 133 Y N 0.615 120.891 120.300 -0.040 0.000 2.310 133 Y HA 0.329 4.882 4.550 0.005 0.000 0.326 133 Y C 0.055 175.874 175.900 -0.135 0.000 1.151 133 Y CA -1.069 56.893 58.100 -0.230 0.000 1.195 133 Y CB 0.417 38.737 38.460 -0.232 0.000 1.210 133 Y HN 0.060 nan 8.280 nan 0.000 0.483 134 Y N 1.218 121.559 120.300 0.069 0.000 2.411 134 Y HA 0.060 4.613 4.550 0.006 0.000 0.333 134 Y C 1.033 176.952 175.900 0.031 0.000 1.186 134 Y CA 0.049 58.201 58.100 0.086 0.000 1.381 134 Y CB 0.556 39.031 38.460 0.025 0.000 1.273 134 Y HN 0.541 nan 8.280 nan 0.000 0.546 135 T N 3.342 117.999 114.554 0.171 0.000 2.770 135 T HA 0.417 4.770 4.350 0.006 0.000 0.281 135 T C -0.284 174.460 174.700 0.074 0.000 0.981 135 T CA -0.670 61.461 62.100 0.051 0.000 0.955 135 T CB 0.339 69.200 68.868 -0.011 0.000 1.060 135 T HN 0.439 nan 8.240 nan 0.000 0.531 136 R N 0.714 121.263 120.500 0.081 0.000 2.575 136 R HA 0.561 4.905 4.340 0.006 0.000 0.293 136 R C 0.618 177.035 176.300 0.194 0.000 0.983 136 R CA -0.458 55.708 56.100 0.109 0.000 0.887 136 R CB 1.476 31.830 30.300 0.091 0.000 1.184 136 R HN 0.713 nan 8.270 nan 0.000 0.445 137 A N 3.623 126.598 122.820 0.258 0.000 1.968 137 A HA 0.138 4.461 4.320 0.006 0.000 0.217 137 A C 0.665 178.376 177.584 0.213 0.000 1.169 137 A CA 0.983 53.225 52.037 0.342 0.000 0.638 137 A CB 0.231 19.628 19.000 0.663 0.000 0.812 137 A HN 0.475 nan 8.150 nan 0.000 0.446 138 L N 0.406 121.713 121.223 0.140 0.000 2.381 138 L HA 0.379 4.722 4.340 0.006 0.000 0.268 138 L C -2.553 174.206 176.870 -0.185 0.000 0.997 138 L CA -2.573 52.190 54.840 -0.129 0.000 0.818 138 L CB 2.695 44.464 42.059 -0.484 0.000 1.310 138 L HN 0.010 nan 8.230 nan 0.000 0.416 139 P HA 0.149 nan 4.420 nan 0.000 0.271 139 P C -2.667 174.489 177.300 -0.239 0.000 1.218 139 P CA -1.232 61.581 63.100 -0.477 0.000 0.780 139 P CB -0.171 31.009 31.700 -0.867 0.000 0.901 140 P HA -0.032 nan 4.420 nan 0.000 0.269 140 P C -0.157 177.108 177.300 -0.058 0.000 1.217 140 P CA 0.122 63.199 63.100 -0.037 0.000 0.783 140 P CB 0.238 31.944 31.700 0.009 0.000 0.898 141 V N 1.685 121.592 119.914 -0.013 0.000 2.521 141 V HA 0.152 4.275 4.120 0.006 0.000 0.286 141 V C 1.230 177.325 176.094 0.002 0.000 1.034 141 V CA -0.196 62.096 62.300 -0.014 0.000 1.045 141 V CB -0.241 31.590 31.823 0.014 0.000 0.974 141 V HN 0.748 nan 8.190 nan 0.000 0.480 142 A N 3.908 126.725 122.820 -0.006 0.000 2.586 142 A HA 0.014 4.337 4.320 0.006 0.000 0.231 142 A C 1.227 178.823 177.584 0.021 0.000 1.055 142 A CA -0.066 51.978 52.037 0.012 0.000 0.756 142 A CB -0.097 18.912 19.000 0.015 0.000 0.988 142 A HN 0.901 nan 8.150 nan 0.000 0.509 143 D N 0.240 120.655 120.400 0.025 0.000 2.263 143 D HA -0.104 4.540 4.640 0.006 0.000 0.208 143 D C 0.834 177.151 176.300 0.028 0.000 0.971 143 D CA 1.810 55.826 54.000 0.027 0.000 0.867 143 D CB 0.113 40.926 40.800 0.023 0.000 0.929 143 D HN 0.745 nan 8.370 nan 0.000 0.492 144 D N -0.531 119.886 120.400 0.029 0.000 2.559 144 D HA -0.001 4.642 4.640 0.006 0.000 0.234 144 D C -0.219 176.099 176.300 0.029 0.000 1.226 144 D CA -0.419 53.600 54.000 0.031 0.000 0.830 144 D CB -0.948 39.875 40.800 0.038 0.000 1.028 144 D HN -0.046 nan 8.370 nan 0.000 0.492 145 c N 2.067 120.681 118.600 0.024 0.000 2.605 145 c HA 0.244 4.817 4.570 0.006 0.000 0.404 145 c C -0.315 173.788 174.090 0.022 0.000 1.284 145 c CA -0.949 55.392 56.329 0.019 0.000 2.199 145 c CB 1.364 43.881 42.510 0.011 0.000 2.647 145 c HN 0.300 nan 8.230 nan 0.000 0.604 146 P HA -0.019 nan 4.420 nan 0.000 0.223 146 P C 0.408 177.723 177.300 0.025 0.000 1.151 146 P CA 1.360 64.474 63.100 0.023 0.000 0.787 146 P CB -0.036 31.677 31.700 0.021 0.000 0.788 147 T N -5.812 108.758 114.554 0.027 0.000 2.901 147 T HA 0.482 4.836 4.350 0.006 0.000 0.293 147 T C -2.469 172.255 174.700 0.039 0.000 1.084 147 T CA -2.119 60.002 62.100 0.034 0.000 1.008 147 T CB 2.025 70.916 68.868 0.038 0.000 1.170 147 T HN -0.349 nan 8.240 nan 0.000 0.509 148 P HA 0.050 nan 4.420 nan 0.000 0.218 148 P C 1.322 178.662 177.300 0.067 0.000 1.149 148 P CA 0.901 64.037 63.100 0.061 0.000 0.817 148 P CB 0.033 31.776 31.700 0.073 0.000 0.785 149 M N -2.145 117.495 119.600 0.067 0.000 2.495 149 M HA 0.278 4.761 4.480 0.006 0.000 0.237 149 M C 1.294 177.608 176.300 0.024 0.000 1.131 149 M CA 0.572 55.907 55.300 0.059 0.000 1.032 149 M CB -0.693 31.950 32.600 0.072 0.000 1.513 149 M HN 0.087 nan 8.290 nan 0.000 0.488 150 G N 0.334 109.145 108.800 0.019 0.000 1.829 150 G HA2 -0.221 3.743 3.960 0.006 0.000 0.214 150 G HA3 -0.221 3.743 3.960 0.006 0.000 0.214 150 G C 0.311 175.213 174.900 0.003 0.000 1.627 150 G CA 0.276 45.375 45.100 -0.003 0.000 1.390 150 G HN 0.350 nan 8.290 nan 0.000 0.458 151 V N -1.111 118.802 119.914 -0.000 0.000 3.612 151 V HA 0.520 4.643 4.120 0.006 0.000 0.268 151 V C 0.739 176.843 176.094 0.017 0.000 1.365 151 V CA 1.175 63.479 62.300 0.007 0.000 1.044 151 V CB 0.136 31.958 31.823 -0.001 0.000 0.820 151 V HN 0.466 nan 8.190 nan 0.000 0.444 152 K N 1.574 121.986 120.400 0.021 0.000 2.098 152 K HA 0.638 4.961 4.320 0.006 0.000 0.257 152 K C 0.645 177.276 176.600 0.053 0.000 0.999 152 K CA 0.333 56.640 56.287 0.034 0.000 0.924 152 K CB 1.127 33.645 32.500 0.030 0.000 1.028 152 K HN 0.657 nan 8.250 nan 0.000 0.466 153 G N 1.201 110.040 108.800 0.065 0.000 2.681 153 G HA2 -0.217 3.747 3.960 0.006 0.000 0.220 153 G HA3 -0.217 3.747 3.960 0.006 0.000 0.220 153 G C -0.864 174.072 174.900 0.061 0.000 1.353 153 G CA -0.790 44.359 45.100 0.083 0.000 0.872 153 G HN 0.611 nan 8.290 nan 0.000 0.557 154 N N 0.206 118.941 118.700 0.059 0.000 2.476 154 N HA 0.415 5.158 4.740 0.006 0.000 0.276 154 N C 1.301 176.832 175.510 0.035 0.000 1.204 154 N CA -0.648 52.425 53.050 0.038 0.000 0.974 154 N CB 0.984 39.486 38.487 0.026 0.000 1.204 154 N HN 0.471 nan 8.380 nan 0.000 0.543 155 K N 0.711 121.126 120.400 0.025 0.000 2.286 155 K HA -0.067 4.257 4.320 0.006 0.000 0.203 155 K C -0.167 176.448 176.600 0.024 0.000 1.045 155 K CA 1.361 57.662 56.287 0.023 0.000 0.935 155 K CB -0.079 32.432 32.500 0.017 0.000 0.737 155 K HN 0.612 nan 8.250 nan 0.000 0.460 156 E N -0.449 119.762 120.200 0.020 0.000 2.356 156 E HA 0.265 4.618 4.350 0.006 0.000 0.275 156 E C -1.053 175.554 176.600 0.011 0.000 0.904 156 E CA -0.842 55.567 56.400 0.016 0.000 0.757 156 E CB 1.659 31.361 29.700 0.005 0.000 1.232 156 E HN -0.244 nan 8.360 nan 0.000 0.442 157 L N 2.618 123.852 121.223 0.019 0.000 2.472 157 L HA 0.288 4.632 4.340 0.006 0.000 0.260 157 L C -1.924 174.897 176.870 -0.083 0.000 1.209 157 L CA -1.851 52.990 54.840 0.002 0.000 0.817 157 L CB -0.738 41.360 42.059 0.065 0.000 1.106 157 L HN 0.453 nan 8.230 nan 0.000 0.479 158 P HA -0.042 nan 4.420 nan 0.000 0.267 158 P C -0.458 176.751 177.300 -0.152 0.000 1.200 158 P CA -0.347 62.598 63.100 -0.258 0.000 0.772 158 P CB 0.262 31.638 31.700 -0.540 0.000 0.855 159 D N 1.631 121.966 120.400 -0.108 0.000 2.793 159 D HA -0.100 4.544 4.640 0.006 0.000 0.230 159 D C 1.303 177.570 176.300 -0.054 0.000 1.139 159 D CA 0.658 54.619 54.000 -0.064 0.000 0.838 159 D CB 0.670 41.437 40.800 -0.056 0.000 1.149 159 D HN 0.348 nan 8.370 nan 0.000 0.526 160 S N 3.925 119.611 115.700 -0.023 0.000 2.382 160 S HA -0.235 4.238 4.470 0.006 0.000 0.228 160 S C 1.793 176.398 174.600 0.009 0.000 1.027 160 S CA 1.173 59.377 58.200 0.005 0.000 0.991 160 S CB -0.040 63.170 63.200 0.017 0.000 0.823 160 S HN 0.629 nan 8.310 nan 0.000 0.469 161 K N 1.197 121.596 120.400 -0.002 0.000 2.097 161 K HA -0.136 4.187 4.320 0.006 0.000 0.206 161 K C 2.192 178.789 176.600 -0.005 0.000 1.049 161 K CA 1.606 57.892 56.287 -0.001 0.000 0.933 161 K CB -0.238 32.258 32.500 -0.007 0.000 0.717 161 K HN 0.391 nan 8.250 nan 0.000 0.442 162 E N -0.074 120.114 120.200 -0.021 0.000 2.106 162 E HA -0.121 4.232 4.350 0.006 0.000 0.192 162 E C 1.739 178.327 176.600 -0.020 0.000 0.984 162 E CA 1.176 57.558 56.400 -0.030 0.000 0.806 162 E CB 0.134 29.800 29.700 -0.057 0.000 0.750 162 E HN 0.149 nan 8.360 nan 0.000 0.458 163 V N 0.851 120.760 119.914 -0.009 0.000 2.379 163 V HA -0.196 3.927 4.120 0.006 0.000 0.245 163 V C 2.350 178.470 176.094 0.043 0.000 1.044 163 V CA 1.349 63.667 62.300 0.031 0.000 1.036 163 V CB -0.505 31.367 31.823 0.082 0.000 0.664 163 V HN 0.366 nan 8.190 nan 0.000 0.453 164 L N 0.131 121.379 121.223 0.042 0.000 1.971 164 L HA -0.279 4.065 4.340 0.006 0.000 0.215 164 L C 2.683 179.570 176.870 0.027 0.000 1.072 164 L CA 2.333 57.200 54.840 0.045 0.000 0.758 164 L CB -0.354 41.728 42.059 0.038 0.000 0.889 164 L HN 0.426 nan 8.230 nan 0.000 0.433 165 E N -0.722 119.486 120.200 0.014 0.000 2.106 165 E HA -0.206 4.148 4.350 0.006 0.000 0.192 165 E C 2.186 178.787 176.600 0.002 0.000 0.984 165 E CA 0.928 57.331 56.400 0.006 0.000 0.806 165 E CB 0.124 29.824 29.700 -0.001 0.000 0.750 165 E HN 0.476 nan 8.360 nan 0.000 0.458 166 K N 0.310 120.710 120.400 0.000 0.000 2.076 166 K HA -0.049 4.275 4.320 0.006 0.000 0.204 166 K C 1.989 178.587 176.600 -0.003 0.000 1.051 166 K CA 1.462 57.745 56.287 -0.007 0.000 0.949 166 K CB 0.473 32.963 32.500 -0.016 0.000 0.726 166 K HN 0.144 nan 8.250 nan 0.000 0.443 167 V N -2.777 117.141 119.914 0.007 0.000 3.398 167 V HA 0.188 4.312 4.120 0.006 0.000 0.298 167 V C 1.217 177.313 176.094 0.003 0.000 1.496 167 V CA -0.058 62.244 62.300 0.003 0.000 1.044 167 V CB -0.016 31.812 31.823 0.008 0.000 0.880 167 V HN 0.043 nan 8.190 nan 0.000 0.443 168 L N -0.077 121.155 121.223 0.014 0.000 2.467 168 L HA 0.421 4.764 4.340 0.006 0.000 0.213 168 L C 0.886 177.772 176.870 0.027 0.000 1.053 168 L CA 0.227 55.079 54.840 0.020 0.000 0.847 168 L CB 0.284 42.369 42.059 0.043 0.000 1.075 168 L HN 0.211 nan 8.230 nan 0.000 0.479 169 L N 1.564 122.801 121.223 0.023 0.000 2.416 169 L HA 0.112 4.456 4.340 0.006 0.000 0.272 169 L C 0.735 177.616 176.870 0.019 0.000 1.161 169 L CA 0.025 54.878 54.840 0.022 0.000 0.845 169 L CB 0.440 42.507 42.059 0.013 0.000 1.119 169 L HN 0.200 nan 8.230 nan 0.000 0.464 170 R N 3.166 123.683 120.500 0.028 0.000 2.401 170 R HA 0.110 4.454 4.340 0.006 0.000 0.299 170 R C 0.700 177.018 176.300 0.029 0.000 1.064 170 R CA -0.436 55.684 56.100 0.033 0.000 1.000 170 R CB 0.685 31.023 30.300 0.065 0.000 0.973 170 R HN 0.617 nan 8.270 nan 0.000 0.438 171 R N 3.228 123.741 120.500 0.021 0.000 2.041 171 R HA 0.089 4.432 4.340 0.006 0.000 0.221 171 R C 0.235 176.558 176.300 0.037 0.000 1.196 171 R CA 0.796 56.909 56.100 0.021 0.000 0.969 171 R CB -0.433 29.873 30.300 0.010 0.000 0.858 171 R HN 0.625 nan 8.270 nan 0.000 0.444 172 E N 0.524 120.745 120.200 0.035 0.000 2.202 172 E HA 0.206 4.560 4.350 0.006 0.000 0.272 172 E C -1.314 175.336 176.600 0.084 0.000 0.951 172 E CA -0.810 55.626 56.400 0.060 0.000 0.813 172 E CB 1.369 31.090 29.700 0.036 0.000 1.151 172 E HN -0.008 nan 8.360 nan 0.000 0.398 173 F N 4.496 124.438 119.950 -0.013 0.000 2.571 173 F HA 0.181 4.711 4.527 0.006 0.000 0.384 173 F C -0.531 175.256 175.800 -0.021 0.000 1.058 173 F CA 0.047 58.038 58.000 -0.016 0.000 1.200 173 F CB 0.232 39.219 39.000 -0.022 0.000 1.077 173 F HN 0.307 nan 8.300 nan 0.000 0.558 174 I N 9.418 129.604 120.570 -0.639 0.000 2.328 174 I HA 0.275 4.448 4.170 0.006 0.000 0.287 174 I C -2.099 173.506 176.117 -0.853 0.000 1.012 174 I CA -2.150 58.821 61.300 -0.548 0.000 1.195 174 I CB 1.010 38.836 38.000 -0.290 0.000 1.350 174 I HN 0.445 nan 8.210 nan 0.000 0.464 175 P HA 0.081 nan 4.420 nan 0.000 0.277 175 P C -0.848 176.271 177.300 -0.302 0.000 1.240 175 P CA -0.343 62.436 63.100 -0.534 0.000 0.798 175 P CB 0.968 32.569 31.700 -0.165 0.000 0.979 176 D N 3.221 123.487 120.400 -0.223 0.000 2.401 176 D HA 0.033 4.676 4.640 0.006 0.000 0.254 176 D C -1.203 174.997 176.300 -0.168 0.000 1.192 176 D CA -1.808 52.068 54.000 -0.207 0.000 0.885 176 D CB 0.367 41.042 40.800 -0.208 0.000 1.147 176 D HN 0.177 nan 8.370 nan 0.000 0.478 177 P HA -0.122 nan 4.420 nan 0.000 0.226 177 P C 0.593 177.806 177.300 -0.144 0.000 1.153 177 P CA 0.905 63.922 63.100 -0.140 0.000 0.777 177 P CB 0.264 31.883 31.700 -0.136 0.000 0.794 178 Q N -0.818 118.863 119.800 -0.200 0.000 2.444 178 Q HA 0.183 4.526 4.340 0.006 0.000 0.206 178 Q C 1.191 177.145 176.000 -0.076 0.000 0.948 178 Q CA 0.511 56.188 55.803 -0.210 0.000 0.946 178 Q CB -0.284 28.206 28.738 -0.414 0.000 1.027 178 Q HN 0.248 nan 8.270 nan 0.000 0.513 179 G N 1.376 110.137 108.800 -0.065 0.000 2.153 179 G HA2 -0.283 3.680 3.960 0.006 0.000 0.252 179 G HA3 -0.283 3.680 3.960 0.006 0.000 0.252 179 G C 0.056 174.959 174.900 0.005 0.000 0.994 179 G CA 0.296 45.391 45.100 -0.008 0.000 0.698 179 G HN 0.309 nan 8.290 nan 0.000 0.521 180 S N 0.714 116.397 115.700 -0.028 0.000 2.561 180 S HA 0.336 4.809 4.470 0.006 0.000 0.294 180 S C 0.797 175.387 174.600 -0.017 0.000 1.294 180 S CA 0.791 58.915 58.200 -0.128 0.000 1.055 180 S CB 0.598 63.630 63.200 -0.279 0.000 0.819 180 S HN 1.075 nan 8.310 nan 0.000 0.503 181 N N 1.086 119.822 118.700 0.060 0.000 2.890 181 N HA 0.413 5.157 4.740 0.006 0.000 0.317 181 N C 0.469 176.094 175.510 0.190 0.000 1.355 181 N CA -0.952 52.179 53.050 0.136 0.000 0.803 181 N CB -0.079 38.499 38.487 0.151 0.000 1.465 181 N HN 0.251 nan 8.380 nan 0.000 0.591 182 M N -0.351 119.327 119.600 0.129 0.000 2.296 182 M HA 0.099 4.582 4.480 0.006 0.000 0.265 182 M C 1.451 177.857 176.300 0.176 0.000 1.064 182 M CA 1.108 56.386 55.300 -0.036 0.000 1.109 182 M CB -1.087 31.349 32.600 -0.274 0.000 1.396 182 M HN 0.532 nan 8.290 nan 0.000 0.430 183 M N -1.099 118.733 119.600 0.387 0.000 2.159 183 M HA -0.185 4.298 4.480 0.006 0.000 0.263 183 M C 2.248 178.987 176.300 0.733 0.000 1.063 183 M CA 1.481 57.133 55.300 0.586 0.000 1.110 183 M CB -1.310 31.577 32.600 0.479 0.000 1.374 183 M HN 0.227 nan 8.290 nan 0.000 0.411 184 F N 0.973 121.173 119.950 0.417 0.000 2.098 184 F HA -0.032 4.499 4.527 0.006 0.000 0.294 184 F C 2.351 178.283 175.800 0.221 0.000 1.107 184 F CA 1.549 59.659 58.000 0.183 0.000 1.234 184 F CB -0.451 38.501 39.000 -0.080 0.000 1.002 184 F HN 0.098 nan 8.300 nan 0.000 0.472 185 A N 0.365 123.293 122.820 0.181 0.000 1.873 185 A HA -0.227 4.096 4.320 0.006 0.000 0.218 185 A C 2.033 179.551 177.584 -0.110 0.000 1.193 185 A CA 2.087 54.101 52.037 -0.038 0.000 0.629 185 A CB -1.601 17.281 19.000 -0.196 0.000 0.826 185 A HN 0.453 nan 8.150 nan 0.000 0.447 186 F N -1.903 118.137 119.950 0.150 0.000 2.407 186 F HA 0.055 4.586 4.527 0.006 0.000 0.299 186 F C 1.852 177.715 175.800 0.105 0.000 1.097 186 F CA 0.365 58.460 58.000 0.159 0.000 1.422 186 F CB -0.684 38.464 39.000 0.246 0.000 1.067 186 F HN 0.348 nan 8.300 nan 0.000 0.539 187 F N 0.469 120.472 119.950 0.088 0.000 2.206 187 F HA -0.055 4.476 4.527 0.005 0.000 0.298 187 F C 2.299 177.975 175.800 -0.205 0.000 1.090 187 F CA 1.210 59.002 58.000 -0.347 0.000 1.323 187 F CB -0.284 38.607 39.000 -0.181 0.000 1.028 187 F HN -0.086 nan 8.300 nan 0.000 0.492 188 A N -0.278 122.579 122.820 0.062 0.000 1.897 188 A HA -0.204 4.119 4.320 0.006 0.000 0.215 188 A C 2.191 179.721 177.584 -0.090 0.000 1.181 188 A CA 1.559 53.657 52.037 0.102 0.000 0.620 188 A CB -0.915 18.224 19.000 0.232 0.000 0.821 188 A HN 0.557 nan 8.150 nan 0.000 0.443 189 Q N -1.149 118.580 119.800 -0.118 0.000 2.050 189 Q HA -0.245 4.099 4.340 0.006 0.000 0.202 189 Q C 2.143 177.870 176.000 -0.456 0.000 0.980 189 Q CA 1.680 57.295 55.803 -0.314 0.000 0.840 189 Q CB -0.352 28.244 28.738 -0.238 0.000 0.898 189 Q HN 0.874 nan 8.270 nan 0.000 0.424 190 H N -0.520 118.285 119.070 -0.442 0.000 2.293 190 H HA -0.177 4.383 4.556 0.005 0.000 0.300 190 H C 2.014 177.125 175.328 -0.361 0.000 1.082 190 H CA 1.887 57.638 56.048 -0.495 0.000 1.308 190 H CB -0.371 29.109 29.762 -0.471 0.000 1.375 190 H HN 0.358 nan 8.280 nan 0.000 0.495 191 F N 2.078 121.654 119.950 -0.624 0.000 2.102 191 F HA -0.212 4.318 4.527 0.005 0.000 0.298 191 F C 2.791 177.994 175.800 -0.996 0.000 1.105 191 F CA 2.532 60.073 58.000 -0.766 0.000 1.239 191 F CB -0.923 37.610 39.000 -0.779 0.000 0.991 191 F HN 0.249 nan 8.300 nan 0.000 0.474 192 T N -2.747 111.141 114.554 -1.110 0.000 2.915 192 T HA -0.202 4.151 4.350 0.006 0.000 0.269 192 T C 1.454 175.274 174.700 -1.467 0.000 1.071 192 T CA 1.668 62.739 62.100 -1.715 0.000 1.132 192 T CB -0.926 67.314 68.868 -1.046 0.000 0.878 192 T HN 0.395 nan 8.240 nan 0.000 0.479 193 H N 1.748 120.265 119.070 -0.922 0.000 2.553 193 H HA 0.166 4.726 4.556 0.005 0.000 0.269 193 H C 2.336 177.308 175.328 -0.594 0.000 1.011 193 H CA 0.662 56.399 56.048 -0.519 0.000 1.150 193 H CB -0.251 29.460 29.762 -0.085 0.000 1.339 193 H HN 0.773 nan 8.280 nan 0.000 0.604 194 Q N -0.220 119.007 119.800 -0.955 0.000 2.250 194 Q HA -0.048 4.295 4.340 0.006 0.000 0.200 194 Q C 0.921 176.524 176.000 -0.662 0.000 0.941 194 Q CA 0.954 56.230 55.803 -0.878 0.000 0.872 194 Q CB -0.145 27.823 28.738 -1.283 0.000 0.965 194 Q HN 0.581 nan 8.270 nan 0.000 0.480 195 F N -2.563 116.957 119.950 -0.718 0.000 2.706 195 F HA 0.489 5.019 4.527 0.005 0.000 0.308 195 F C -0.258 175.259 175.800 -0.472 0.000 1.095 195 F CA -1.160 56.472 58.000 -0.614 0.000 1.244 195 F CB 0.531 39.145 39.000 -0.645 0.000 1.063 195 F HN -0.228 nan 8.300 nan 0.000 0.582 196 F N 3.574 123.340 119.950 -0.307 0.000 2.313 196 F HA 0.498 5.029 4.527 0.006 0.000 0.369 196 F C -0.130 175.491 175.800 -0.299 0.000 1.109 196 F CA -1.715 56.143 58.000 -0.238 0.000 1.132 196 F CB 0.956 39.672 39.000 -0.473 0.000 1.291 196 F HN -0.031 nan 8.300 nan 0.000 0.496 197 K N 2.110 122.532 120.400 0.037 0.000 3.050 197 K HA 0.197 4.520 4.320 0.006 0.000 0.185 197 K C -0.548 176.000 176.600 -0.088 0.000 1.147 197 K CA -0.350 55.882 56.287 -0.091 0.000 0.916 197 K CB 1.148 33.552 32.500 -0.159 0.000 1.119 197 K HN 0.341 nan 8.250 nan 0.000 0.605 198 T N 1.414 115.926 114.554 -0.071 0.000 2.902 198 T HA -0.042 4.311 4.350 0.006 0.000 0.301 198 T C 0.099 174.562 174.700 -0.395 0.000 1.012 198 T CA 0.337 62.327 62.100 -0.182 0.000 1.151 198 T CB 0.394 69.098 68.868 -0.273 0.000 0.946 198 T HN 0.255 nan 8.240 nan 0.000 0.542 199 D N 1.598 121.840 120.400 -0.263 0.000 2.483 199 D HA 0.048 4.691 4.640 0.006 0.000 0.220 199 D C 1.205 177.402 176.300 -0.172 0.000 1.173 199 D CA -0.335 53.546 54.000 -0.199 0.000 0.964 199 D CB 0.083 40.789 40.800 -0.156 0.000 1.046 199 D HN 0.541 nan 8.370 nan 0.000 0.517 200 H N 2.680 121.747 119.070 -0.005 0.000 2.521 200 H HA -0.060 4.499 4.556 0.005 0.000 0.286 200 H C 1.440 176.753 175.328 -0.025 0.000 1.034 200 H CA 0.747 56.797 56.048 0.004 0.000 1.278 200 H CB 0.528 30.293 29.762 0.005 0.000 1.386 200 H HN 0.487 nan 8.280 nan 0.000 0.567 201 K N 0.991 121.408 120.400 0.028 0.000 2.097 201 K HA -0.070 4.253 4.320 0.006 0.000 0.205 201 K C 2.094 178.638 176.600 -0.094 0.000 1.050 201 K CA 0.728 56.998 56.287 -0.029 0.000 0.938 201 K CB 0.035 32.500 32.500 -0.059 0.000 0.718 201 K HN 0.284 nan 8.250 nan 0.000 0.442 202 R N 0.597 120.985 120.500 -0.188 0.000 2.080 202 R HA 0.069 4.412 4.340 0.006 0.000 0.222 202 R C 0.828 177.020 176.300 -0.178 0.000 1.107 202 R CA 0.764 56.628 56.100 -0.395 0.000 0.980 202 R CB 0.264 30.004 30.300 -0.933 0.000 0.879 202 R HN 0.321 nan 8.270 nan 0.000 0.439 203 G N -0.603 108.221 108.800 0.040 0.000 2.333 203 G HA2 -0.069 3.894 3.960 0.006 0.000 0.330 203 G HA3 -0.069 3.894 3.960 0.006 0.000 0.330 203 G C -2.556 172.508 174.900 0.274 0.000 1.465 203 G CA -0.920 44.315 45.100 0.225 0.000 0.996 203 G HN -0.204 nan 8.290 nan 0.000 0.655 204 P HA -0.013 nan 4.420 nan 0.000 0.221 204 P C 1.538 178.932 177.300 0.156 0.000 1.145 204 P CA 1.779 64.954 63.100 0.124 0.000 0.795 204 P CB 0.067 31.806 31.700 0.065 0.000 0.775 205 G N -2.039 106.840 108.800 0.131 0.000 3.233 205 G HA2 0.204 4.168 3.960 0.006 0.000 0.227 205 G HA3 0.204 4.168 3.960 0.006 0.000 0.227 205 G C -0.119 174.670 174.900 -0.184 0.000 1.175 205 G CA -0.138 44.980 45.100 0.030 0.000 0.781 205 G HN 0.141 nan 8.290 nan 0.000 0.542 206 F N -0.788 119.165 119.950 0.006 0.000 2.538 206 F HA 0.662 5.192 4.527 0.006 0.000 0.325 206 F C 0.306 175.815 175.800 -0.486 0.000 1.066 206 F CA -0.821 57.017 58.000 -0.270 0.000 0.946 206 F CB 2.563 41.391 39.000 -0.286 0.000 1.199 206 F HN -0.170 nan 8.300 nan 0.000 0.473 207 T N 0.533 114.801 114.554 -0.476 0.000 2.907 207 T HA 0.433 4.786 4.350 0.006 0.000 0.292 207 T C 0.444 174.935 174.700 -0.349 0.000 1.043 207 T CA -0.591 61.128 62.100 -0.634 0.000 1.003 207 T CB 1.257 69.459 68.868 -1.110 0.000 1.084 207 T HN 0.706 nan 8.240 nan 0.000 0.483 208 R N 1.668 121.997 120.500 -0.284 0.000 2.362 208 R HA 0.253 4.596 4.340 0.006 0.000 0.227 208 R C 1.228 177.387 176.300 -0.235 0.000 0.905 208 R CA -0.086 55.882 56.100 -0.219 0.000 1.067 208 R CB 0.526 30.723 30.300 -0.171 0.000 1.078 208 R HN 0.576 nan 8.270 nan 0.000 0.516 209 G N 1.074 109.692 108.800 -0.304 0.000 3.343 209 G HA2 0.171 4.135 3.960 0.006 0.000 0.279 209 G HA3 0.171 4.135 3.960 0.006 0.000 0.279 209 G C 0.669 175.322 174.900 -0.412 0.000 0.919 209 G CA -0.401 44.516 45.100 -0.306 0.000 1.812 209 G HN 0.149 nan 8.290 nan 0.000 0.584 210 L N 1.325 122.384 121.223 -0.273 0.000 2.456 210 L HA 0.017 4.360 4.340 0.006 0.000 0.224 210 L C 2.701 179.515 176.870 -0.094 0.000 1.148 210 L CA 0.762 55.483 54.840 -0.198 0.000 0.825 210 L CB 0.112 42.112 42.059 -0.098 0.000 0.937 210 L HN 0.518 nan 8.230 nan 0.000 0.450 211 G N -2.143 106.587 108.800 -0.115 0.000 2.484 211 G HA2 -0.185 3.778 3.960 0.006 0.000 0.218 211 G HA3 -0.185 3.778 3.960 0.006 0.000 0.218 211 G C 0.627 175.545 174.900 0.030 0.000 1.130 211 G CA -0.095 44.986 45.100 -0.031 0.000 0.784 211 G HN 0.552 nan 8.290 nan 0.000 0.543 212 H N -0.177 118.853 119.070 -0.066 0.000 2.557 212 H HA -0.164 4.395 4.556 0.005 0.000 0.319 212 H C 1.166 176.436 175.328 -0.097 0.000 1.102 212 H CA 1.214 57.220 56.048 -0.071 0.000 1.126 212 H CB -1.357 28.361 29.762 -0.074 0.000 1.498 212 H HN 0.768 nan 8.280 nan 0.000 0.411 213 G N -1.807 106.976 108.800 -0.029 0.000 2.360 213 G HA2 0.210 4.174 3.960 0.006 0.000 0.276 213 G HA3 0.210 4.174 3.960 0.006 0.000 0.276 213 G C -0.841 174.071 174.900 0.019 0.000 1.256 213 G CA -0.278 44.770 45.100 -0.087 0.000 0.890 213 G HN 0.155 nan 8.290 nan 0.000 0.486 214 V N 2.443 122.382 119.914 0.041 0.000 2.287 214 V HA 0.285 4.408 4.120 0.006 0.000 0.246 214 V C 0.391 176.522 176.094 0.061 0.000 1.165 214 V CA 0.981 63.331 62.300 0.083 0.000 1.088 214 V CB 0.231 32.158 31.823 0.174 0.000 1.242 214 V HN 0.771 nan 8.190 nan 0.000 0.497 215 D N 3.197 123.613 120.400 0.026 0.000 2.469 215 D HA 0.067 4.710 4.640 0.006 0.000 0.213 215 D C 0.938 177.306 176.300 0.112 0.000 1.135 215 D CA -0.347 53.688 54.000 0.059 0.000 0.834 215 D CB 0.085 40.906 40.800 0.035 0.000 1.009 215 D HN 0.324 nan 8.370 nan 0.000 0.507 216 L N 0.735 122.019 121.223 0.103 0.000 4.001 216 L HA -0.355 3.988 4.340 0.006 0.000 0.413 216 L C 0.851 177.863 176.870 0.237 0.000 1.185 216 L CA 0.754 55.731 54.840 0.228 0.000 0.963 216 L CB -2.578 39.559 42.059 0.130 0.000 1.976 216 L HN 0.299 nan 8.230 nan 0.000 0.939 217 N N 0.221 119.005 118.700 0.139 0.000 2.430 217 N HA -0.217 4.527 4.740 0.006 0.000 0.186 217 N C 1.639 177.150 175.510 0.002 0.000 1.032 217 N CA 1.840 54.930 53.050 0.066 0.000 0.893 217 N CB -0.284 38.185 38.487 -0.030 0.000 0.957 217 N HN 0.736 nan 8.380 nan 0.000 0.442 218 H N -1.153 117.747 119.070 -0.282 0.000 2.556 218 H HA 0.188 4.748 4.556 0.006 0.000 0.268 218 H C 1.295 176.431 175.328 -0.320 0.000 0.996 218 H CA 0.335 56.136 56.048 -0.412 0.000 1.157 218 H CB -0.266 29.221 29.762 -0.459 0.000 1.355 218 H HN 0.428 nan 8.280 nan 0.000 0.597 219 I N -1.118 119.175 120.570 -0.461 0.000 3.718 219 I HA -0.024 4.150 4.170 0.006 0.000 0.297 219 I C 1.028 176.886 176.117 -0.432 0.000 1.220 219 I CA 0.155 61.111 61.300 -0.574 0.000 1.381 219 I CB 0.232 37.659 38.000 -0.955 0.000 1.238 219 I HN -0.029 nan 8.210 nan 0.000 0.448 220 Y N 1.245 121.507 120.300 -0.062 0.000 2.442 220 Y HA 0.495 5.049 4.550 0.006 0.000 0.250 220 Y C 1.106 177.005 175.900 -0.002 0.000 1.113 220 Y CA -0.072 58.035 58.100 0.011 0.000 1.273 220 Y CB 0.269 38.778 38.460 0.082 0.000 1.138 220 Y HN 0.104 nan 8.280 nan 0.000 0.522 221 G N 0.596 109.442 108.800 0.077 0.000 2.719 221 G HA2 -0.184 3.780 3.960 0.006 0.000 0.686 221 G HA3 -0.184 3.780 3.960 0.006 0.000 0.686 221 G C 0.306 175.210 174.900 0.005 0.000 1.201 221 G CA -0.383 44.722 45.100 0.008 0.000 0.768 221 G HN 0.015 nan 8.290 nan 0.000 0.629 222 E N -0.409 119.764 120.200 -0.045 0.000 2.077 222 E HA -0.045 4.308 4.350 0.006 0.000 0.193 222 E C 1.972 178.546 176.600 -0.042 0.000 0.989 222 E CA 2.047 58.415 56.400 -0.054 0.000 0.800 222 E CB -0.174 29.477 29.700 -0.083 0.000 0.746 222 E HN 1.073 nan 8.360 nan 0.000 0.452 223 T N -2.388 112.137 114.554 -0.048 0.000 2.940 223 T HA 0.325 4.678 4.350 0.006 0.000 0.288 223 T C 1.307 175.956 174.700 -0.085 0.000 1.033 223 T CA -0.780 61.283 62.100 -0.061 0.000 1.033 223 T CB 1.496 70.326 68.868 -0.062 0.000 1.079 223 T HN -0.064 nan 8.240 nan 0.000 0.496 224 L N 0.337 121.480 121.223 -0.133 0.000 2.079 224 L HA -0.104 4.239 4.340 0.006 0.000 0.210 224 L C 2.271 178.942 176.870 -0.331 0.000 1.081 224 L CA 1.861 56.530 54.840 -0.284 0.000 0.752 224 L CB -0.464 41.408 42.059 -0.311 0.000 0.896 224 L HN 0.859 nan 8.230 nan 0.000 0.433 225 D N -0.244 120.055 120.400 -0.168 0.000 2.104 225 D HA -0.248 4.396 4.640 0.006 0.000 0.194 225 D C 2.218 178.507 176.300 -0.018 0.000 0.994 225 D CA 1.218 55.172 54.000 -0.077 0.000 0.830 225 D CB 0.118 40.892 40.800 -0.044 0.000 0.959 225 D HN 0.264 nan 8.370 nan 0.000 0.452 226 R N 0.516 120.999 120.500 -0.029 0.000 2.073 226 R HA -0.083 4.260 4.340 0.006 0.000 0.229 226 R C 2.370 178.685 176.300 0.024 0.000 1.120 226 R CA 1.075 57.175 56.100 -0.001 0.000 0.967 226 R CB -0.172 30.117 30.300 -0.019 0.000 0.862 226 R HN 0.144 nan 8.270 nan 0.000 0.436 227 Q N -0.138 119.666 119.800 0.007 0.000 2.133 227 Q HA -0.256 4.087 4.340 0.006 0.000 0.208 227 Q C 1.604 177.645 176.000 0.069 0.000 0.991 227 Q CA 2.046 57.873 55.803 0.040 0.000 0.867 227 Q CB -0.164 28.583 28.738 0.014 0.000 0.911 227 Q HN 0.669 nan 8.270 nan 0.000 0.417 228 H N -0.706 118.349 119.070 -0.026 0.000 2.428 228 H HA -0.020 4.539 4.556 0.006 0.000 0.296 228 H C 1.939 177.321 175.328 0.090 0.000 1.062 228 H CA 0.833 56.914 56.048 0.054 0.000 1.350 228 H CB 0.339 30.212 29.762 0.186 0.000 1.403 228 H HN 0.204 nan 8.280 nan 0.000 0.533 229 K N 0.574 121.080 120.400 0.175 0.000 2.217 229 K HA -0.048 4.276 4.320 0.006 0.000 0.202 229 K C 1.736 178.377 176.600 0.069 0.000 1.051 229 K CA 0.551 56.907 56.287 0.116 0.000 0.952 229 K CB 0.217 32.763 32.500 0.077 0.000 0.736 229 K HN 0.262 nan 8.250 nan 0.000 0.453 230 L N 0.397 121.644 121.223 0.039 0.000 2.492 230 L HA 0.009 4.353 4.340 0.006 0.000 0.223 230 L C 0.724 177.577 176.870 -0.028 0.000 1.132 230 L CA 0.249 55.102 54.840 0.023 0.000 0.850 230 L CB 0.081 42.163 42.059 0.039 0.000 0.966 230 L HN 0.041 nan 8.230 nan 0.000 0.454 231 R N -0.657 119.749 120.500 -0.157 0.000 2.598 231 R HA 0.200 4.543 4.340 0.006 0.000 0.279 231 R C 0.538 176.662 176.300 -0.293 0.000 0.984 231 R CA -0.586 55.290 56.100 -0.373 0.000 0.999 231 R CB 1.697 31.431 30.300 -0.943 0.000 1.114 231 R HN -0.133 nan 8.270 nan 0.000 0.493 232 L N 1.627 122.731 121.223 -0.199 0.000 2.298 232 L HA 0.215 4.558 4.340 0.006 0.000 0.209 232 L C 0.205 177.130 176.870 0.091 0.000 1.084 232 L CA 1.161 56.000 54.840 -0.002 0.000 0.816 232 L CB -0.111 41.996 42.059 0.081 0.000 0.967 232 L HN 0.835 nan 8.230 nan 0.000 0.460 233 F N -0.762 119.180 119.950 -0.012 0.000 2.953 233 F HA -0.303 4.227 4.527 0.006 0.000 0.292 233 F C 0.401 176.207 175.800 0.011 0.000 0.747 233 F CA 0.788 58.763 58.000 -0.041 0.000 1.222 233 F CB -1.606 37.341 39.000 -0.089 0.000 1.457 233 F HN 0.106 nan 8.300 nan 0.000 0.383 234 K N 0.318 120.814 120.400 0.160 0.000 2.378 234 K HA 0.370 4.694 4.320 0.006 0.000 0.252 234 K C 0.092 176.782 176.600 0.149 0.000 0.931 234 K CA -0.724 55.650 56.287 0.146 0.000 0.794 234 K CB 1.618 34.193 32.500 0.125 0.000 1.181 234 K HN -0.005 nan 8.250 nan 0.000 0.425 235 D N 1.159 121.651 120.400 0.154 0.000 3.059 235 D HA -0.190 4.453 4.640 0.006 0.000 0.220 235 D C 0.706 177.123 176.300 0.195 0.000 1.169 235 D CA 1.817 55.917 54.000 0.166 0.000 0.902 235 D CB -1.118 39.770 40.800 0.147 0.000 1.116 235 D HN 1.101 nan 8.370 nan 0.000 0.417 236 G N -0.240 108.687 108.800 0.211 0.000 2.143 236 G HA2 -0.376 3.588 3.960 0.006 0.000 0.248 236 G HA3 -0.376 3.588 3.960 0.006 0.000 0.248 236 G C 0.289 175.471 174.900 0.470 0.000 0.991 236 G CA 0.873 46.162 45.100 0.315 0.000 0.689 236 G HN 0.490 nan 8.290 nan 0.000 0.522 237 K N -0.784 119.811 120.400 0.326 0.000 2.090 237 K HA 0.635 4.959 4.320 0.006 0.000 0.250 237 K C 0.115 176.899 176.600 0.306 0.000 1.004 237 K CA -0.971 55.552 56.287 0.395 0.000 0.919 237 K CB 0.801 33.479 32.500 0.295 0.000 1.045 237 K HN 0.004 nan 8.250 nan 0.000 0.471 238 L N 2.421 123.841 121.223 0.328 0.000 2.312 238 L HA 0.229 4.573 4.340 0.006 0.000 0.281 238 L C 0.201 177.221 176.870 0.248 0.000 1.070 238 L CA -0.068 54.884 54.840 0.187 0.000 0.805 238 L CB 0.905 43.044 42.059 0.133 0.000 1.174 238 L HN 0.471 nan 8.230 nan 0.000 0.434 239 K N 3.108 123.596 120.400 0.148 0.000 2.542 239 K HA 0.164 4.487 4.320 0.006 0.000 0.276 239 K C -1.037 175.720 176.600 0.261 0.000 0.963 239 K CA 0.869 57.236 56.287 0.134 0.000 0.975 239 K CB 0.260 32.793 32.500 0.055 0.000 0.901 239 K HN 0.592 nan 8.250 nan 0.000 0.506 240 Y N -2.509 117.839 120.300 0.080 0.000 2.713 240 Y HA 0.261 4.814 4.550 0.006 0.000 0.335 240 Y C -1.450 174.511 175.900 0.102 0.000 1.222 240 Y CA -1.397 56.759 58.100 0.093 0.000 1.061 240 Y CB 0.982 39.487 38.460 0.075 0.000 1.314 240 Y HN 0.611 nan 8.280 nan 0.000 0.453 241 Q N 0.894 120.839 119.800 0.241 0.000 2.433 241 Q HA 0.844 5.187 4.340 0.006 0.000 0.279 241 Q C -2.007 174.174 176.000 0.300 0.000 1.105 241 Q CA -1.296 54.601 55.803 0.156 0.000 0.815 241 Q CB 3.030 31.857 28.738 0.149 0.000 1.403 241 Q HN 0.622 nan 8.270 nan 0.000 0.435 242 V N 2.574 122.616 119.914 0.213 0.000 2.417 242 V HA 0.507 4.631 4.120 0.006 0.000 0.291 242 V C -0.444 175.764 176.094 0.191 0.000 1.024 242 V CA -0.540 61.894 62.300 0.224 0.000 0.861 242 V CB 1.202 33.130 31.823 0.174 0.000 0.985 242 V HN 0.671 nan 8.190 nan 0.000 0.436 243 I N 3.385 124.105 120.570 0.251 0.000 2.478 243 I HA 0.515 4.688 4.170 0.006 0.000 0.287 243 I C 1.012 177.232 176.117 0.171 0.000 1.042 243 I CA -0.662 60.743 61.300 0.175 0.000 1.067 243 I CB 1.805 39.876 38.000 0.118 0.000 1.233 243 I HN 0.815 nan 8.210 nan 0.000 0.431 244 G N 4.294 113.152 108.800 0.098 0.000 2.390 244 G HA2 -0.136 3.827 3.960 0.006 0.000 0.299 244 G HA3 -0.136 3.827 3.960 0.006 0.000 0.299 244 G C 1.034 175.985 174.900 0.085 0.000 1.002 244 G CA 0.820 45.968 45.100 0.079 0.000 0.979 244 G HN 1.572 nan 8.290 nan 0.000 0.513 245 G N -1.822 107.028 108.800 0.084 0.000 2.184 245 G HA2 -0.262 3.701 3.960 0.006 0.000 0.264 245 G HA3 -0.262 3.701 3.960 0.006 0.000 0.264 245 G C 0.139 175.071 174.900 0.053 0.000 0.975 245 G CA 0.932 46.070 45.100 0.063 0.000 0.642 245 G HN 0.891 nan 8.290 nan 0.000 0.536 246 E N -0.289 119.964 120.200 0.088 0.000 2.202 246 E HA 0.550 4.903 4.350 0.006 0.000 0.272 246 E C -0.023 176.557 176.600 -0.033 0.000 0.951 246 E CA -0.737 55.656 56.400 -0.011 0.000 0.813 246 E CB 2.368 32.071 29.700 0.005 0.000 1.151 246 E HN 0.083 nan 8.360 nan 0.000 0.398 247 V N 3.587 123.368 119.914 -0.222 0.000 2.498 247 V HA 0.249 4.372 4.120 0.006 0.000 0.279 247 V C -0.768 175.092 176.094 -0.390 0.000 1.048 247 V CA 0.003 62.212 62.300 -0.151 0.000 0.967 247 V CB -0.086 31.615 31.823 -0.203 0.000 0.988 247 V HN 0.529 nan 8.190 nan 0.000 0.473 248 Y N 4.163 124.494 120.300 0.052 0.000 2.615 248 Y HA 0.473 5.026 4.550 0.005 0.000 0.341 248 Y C -2.373 173.564 175.900 0.061 0.000 1.089 248 Y CA -2.614 55.459 58.100 -0.046 0.000 1.049 248 Y CB 2.236 40.642 38.460 -0.090 0.000 1.296 248 Y HN 0.427 nan 8.280 nan 0.000 0.470 249 P HA 0.000 nan 4.420 nan 0.000 0.268 249 P C -2.474 175.044 177.300 0.364 0.000 1.208 249 P CA -0.639 62.588 63.100 0.212 0.000 0.777 249 P CB -0.024 31.756 31.700 0.133 0.000 0.875 250 P HA 0.040 nan 4.420 nan 0.000 0.282 250 P C -0.333 177.088 177.300 0.202 0.000 1.286 250 P CA 0.120 63.340 63.100 0.200 0.000 0.777 250 P CB 0.106 31.878 31.700 0.120 0.000 1.184 251 T N -4.013 110.587 114.554 0.077 0.000 2.944 251 T HA 0.263 4.616 4.350 0.006 0.000 0.284 251 T C 1.374 176.078 174.700 0.005 0.000 1.010 251 T CA -0.750 61.342 62.100 -0.014 0.000 1.025 251 T CB 0.405 69.212 68.868 -0.101 0.000 1.079 251 T HN 0.044 nan 8.240 nan 0.000 0.516 252 V N 1.411 121.315 119.914 -0.016 0.000 2.392 252 V HA -0.146 3.978 4.120 0.006 0.000 0.249 252 V C 2.831 178.917 176.094 -0.013 0.000 1.059 252 V CA 2.265 64.570 62.300 0.008 0.000 1.051 252 V CB -0.867 30.964 31.823 0.014 0.000 0.658 252 V HN 1.039 nan 8.190 nan 0.000 0.455 253 K N 0.241 120.615 120.400 -0.044 0.000 2.057 253 K HA -0.273 4.050 4.320 0.006 0.000 0.207 253 K C 1.913 178.499 176.600 -0.022 0.000 1.049 253 K CA 2.194 58.457 56.287 -0.039 0.000 0.931 253 K CB -0.286 32.178 32.500 -0.059 0.000 0.714 253 K HN 0.508 nan 8.250 nan 0.000 0.440 254 D N -0.558 119.832 120.400 -0.018 0.000 2.183 254 D HA -0.109 4.534 4.640 0.006 0.000 0.203 254 D C 1.714 178.020 176.300 0.010 0.000 0.969 254 D CA 1.824 55.820 54.000 -0.006 0.000 0.842 254 D CB 0.169 40.965 40.800 -0.006 0.000 0.957 254 D HN 0.457 nan 8.370 nan 0.000 0.484 255 T N -4.748 109.818 114.554 0.019 0.000 3.018 255 T HA 0.143 4.496 4.350 0.006 0.000 0.246 255 T C 1.052 175.770 174.700 0.030 0.000 1.026 255 T CA 0.473 62.593 62.100 0.033 0.000 1.081 255 T CB 0.234 69.130 68.868 0.047 0.000 0.970 255 T HN 0.017 nan 8.240 nan 0.000 0.475 256 Q N 0.061 119.874 119.800 0.022 0.000 2.342 256 Q HA -0.130 4.214 4.340 0.006 0.000 0.196 256 Q C 0.173 176.186 176.000 0.021 0.000 0.629 256 Q CA 0.816 56.629 55.803 0.017 0.000 1.365 256 Q CB -2.562 26.186 28.738 0.016 0.000 1.406 256 Q HN 0.918 nan 8.270 nan 0.000 0.840 257 V N -0.014 119.918 119.914 0.030 0.000 2.637 257 V HA 0.264 4.387 4.120 0.006 0.000 0.296 257 V C 0.520 176.629 176.094 0.025 0.000 1.046 257 V CA -0.311 62.004 62.300 0.025 0.000 1.066 257 V CB 1.132 32.973 31.823 0.029 0.000 0.968 257 V HN 0.211 nan 8.190 nan 0.000 0.483 258 E N 6.553 126.758 120.200 0.008 0.000 2.344 258 E HA 0.344 4.697 4.350 0.006 0.000 0.270 258 E C -0.454 176.145 176.600 -0.001 0.000 1.021 258 E CA -0.249 56.154 56.400 0.005 0.000 0.887 258 E CB 0.924 30.616 29.700 -0.013 0.000 0.997 258 E HN 0.631 nan 8.360 nan 0.000 0.429 259 M N 2.032 121.644 119.600 0.020 0.000 2.690 259 M HA 0.432 4.916 4.480 0.006 0.000 0.302 259 M C -0.422 175.822 176.300 -0.092 0.000 1.234 259 M CA -0.892 54.387 55.300 -0.035 0.000 0.853 259 M CB 1.713 34.356 32.600 0.072 0.000 1.748 259 M HN 0.427 nan 8.290 nan 0.000 0.469 260 I N 1.947 122.371 120.570 -0.242 0.000 2.307 260 I HA 0.278 4.451 4.170 0.006 0.000 0.287 260 I C -1.384 174.502 176.117 -0.386 0.000 1.054 260 I CA -0.146 61.030 61.300 -0.207 0.000 1.218 260 I CB 0.209 38.133 38.000 -0.127 0.000 1.398 260 I HN 0.465 nan 8.210 nan 0.000 0.475 261 Y N 6.705 126.972 120.300 -0.055 0.000 2.442 261 Y HA 0.445 4.998 4.550 0.006 0.000 0.344 261 Y C -1.965 173.816 175.900 -0.198 0.000 0.976 261 Y CA -2.279 55.752 58.100 -0.115 0.000 1.040 261 Y CB 1.757 40.145 38.460 -0.120 0.000 1.228 261 Y HN 0.409 nan 8.280 nan 0.000 0.451 262 P HA 0.051 nan 4.420 nan 0.000 0.269 262 P C -2.227 174.945 177.300 -0.213 0.000 1.215 262 P CA -1.205 61.740 63.100 -0.258 0.000 0.780 262 P CB 0.776 32.184 31.700 -0.486 0.000 0.898 263 P HA -0.184 nan 4.420 nan 0.000 0.219 263 P C 1.297 178.560 177.300 -0.061 0.000 1.146 263 P CA 1.587 64.650 63.100 -0.061 0.000 0.808 263 P CB -0.491 31.201 31.700 -0.012 0.000 0.779 264 H N -1.458 117.578 119.070 -0.057 0.000 2.547 264 H HA 0.091 4.650 4.556 0.005 0.000 0.266 264 H C 0.436 175.727 175.328 -0.063 0.000 0.988 264 H CA -0.257 55.761 56.048 -0.050 0.000 1.147 264 H CB -0.236 29.504 29.762 -0.036 0.000 1.365 264 H HN 0.021 nan 8.280 nan 0.000 0.589 265 I N 5.027 125.341 120.570 -0.427 0.000 2.452 265 I HA 0.124 4.298 4.170 0.006 0.000 0.287 265 I C -1.999 173.964 176.117 -0.257 0.000 1.079 265 I CA -2.486 58.599 61.300 -0.357 0.000 1.387 265 I CB 0.850 38.595 38.000 -0.426 0.000 1.404 265 I HN 0.104 nan 8.210 nan 0.000 0.522 266 P HA 0.128 nan 4.420 nan 0.000 0.271 266 P C 0.550 177.697 177.300 -0.256 0.000 1.216 266 P CA -0.191 62.799 63.100 -0.183 0.000 0.771 266 P CB 0.941 32.555 31.700 -0.142 0.000 0.864 267 E N 1.864 121.941 120.200 -0.205 0.000 2.233 267 E HA -0.245 4.109 4.350 0.006 0.000 0.199 267 E C 1.516 177.951 176.600 -0.276 0.000 1.004 267 E CA 1.392 57.661 56.400 -0.218 0.000 0.819 267 E CB -0.090 29.523 29.700 -0.144 0.000 0.738 267 E HN 0.568 nan 8.360 nan 0.000 0.478 268 N N 0.226 118.762 118.700 -0.272 0.000 2.461 268 N HA -0.097 4.646 4.740 0.006 0.000 0.188 268 N C 1.285 176.492 175.510 -0.505 0.000 1.134 268 N CA 0.472 53.337 53.050 -0.307 0.000 0.878 268 N CB 0.208 38.568 38.487 -0.211 0.000 0.972 268 N HN 0.239 nan 8.380 nan 0.000 0.456 269 L N -0.186 120.697 121.223 -0.568 0.000 2.766 269 L HA 0.215 4.558 4.340 0.006 0.000 0.242 269 L C 0.181 176.460 176.870 -0.985 0.000 1.136 269 L CA 0.010 54.391 54.840 -0.765 0.000 0.933 269 L CB 0.287 42.078 42.059 -0.446 0.000 1.241 269 L HN 0.009 nan 8.230 nan 0.000 0.522 270 Q N 1.020 120.293 119.800 -0.879 0.000 2.534 270 Q HA 0.196 4.540 4.340 0.006 0.000 0.223 270 Q C -0.883 174.859 176.000 -0.430 0.000 1.239 270 Q CA -0.125 55.103 55.803 -0.957 0.000 0.936 270 Q CB 0.081 28.429 28.738 -0.649 0.000 1.457 270 Q HN 0.132 nan 8.270 nan 0.000 0.547 271 F N 1.111 121.051 119.950 -0.016 0.000 2.443 271 F HA 0.281 4.812 4.527 0.005 0.000 0.353 271 F C 0.776 176.696 175.800 0.200 0.000 1.101 271 F CA -0.684 57.381 58.000 0.109 0.000 1.226 271 F CB 0.767 39.839 39.000 0.120 0.000 1.140 271 F HN 0.373 nan 8.300 nan 0.000 0.557 272 A N 3.776 126.789 122.820 0.322 0.000 2.276 272 A HA 0.764 5.087 4.320 0.006 0.000 0.316 272 A C -0.584 177.099 177.584 0.165 0.000 1.229 272 A CA -0.481 51.678 52.037 0.205 0.000 0.851 272 A CB 0.624 19.703 19.000 0.132 0.000 1.165 272 A HN 0.745 nan 8.150 nan 0.000 0.513 273 V N -0.251 119.725 119.914 0.103 0.000 3.165 273 V HA 0.856 4.979 4.120 0.006 0.000 0.309 273 V C 1.132 177.190 176.094 -0.060 0.000 1.267 273 V CA -0.072 62.254 62.300 0.043 0.000 1.067 273 V CB 0.931 32.812 31.823 0.097 0.000 1.082 273 V HN 1.085 nan 8.190 nan 0.000 0.451 274 G N -0.772 107.953 108.800 -0.124 0.000 2.469 274 G HA2 -0.112 3.851 3.960 0.006 0.000 0.219 274 G HA3 -0.112 3.851 3.960 0.006 0.000 0.219 274 G C 0.704 175.443 174.900 -0.269 0.000 1.150 274 G CA 0.981 45.975 45.100 -0.175 0.000 0.763 274 G HN 0.687 nan 8.290 nan 0.000 0.561 275 Q N 0.279 119.779 119.800 -0.500 0.000 2.347 275 Q HA 0.180 4.523 4.340 0.006 0.000 0.262 275 Q C 1.202 176.893 176.000 -0.514 0.000 0.980 275 Q CA -0.220 55.142 55.803 -0.736 0.000 0.867 275 Q CB 1.692 29.365 28.738 -1.775 0.000 1.242 275 Q HN 0.742 nan 8.270 nan 0.000 0.453 276 E N 1.843 121.863 120.200 -0.300 0.000 2.333 276 E HA -0.121 4.232 4.350 0.006 0.000 0.198 276 E C 0.992 177.496 176.600 -0.160 0.000 1.007 276 E CA 0.721 57.012 56.400 -0.181 0.000 0.845 276 E CB 0.202 29.825 29.700 -0.129 0.000 0.766 276 E HN 0.253 nan 8.360 nan 0.000 0.507 277 V N 0.056 119.897 119.914 -0.122 0.000 3.660 277 V HA 0.016 4.139 4.120 0.006 0.000 0.276 277 V C 0.672 176.882 176.094 0.194 0.000 1.317 277 V CA 0.037 62.353 62.300 0.026 0.000 1.097 277 V CB -0.388 31.503 31.823 0.113 0.000 0.863 277 V HN 0.209 nan 8.190 nan 0.000 0.438 278 F N 1.128 121.038 119.950 -0.066 0.000 2.604 278 F HA 0.170 4.701 4.527 0.005 0.000 0.298 278 F C 2.255 178.030 175.800 -0.041 0.000 1.131 278 F CA 0.705 58.687 58.000 -0.030 0.000 1.457 278 F CB -1.206 37.803 39.000 0.015 0.000 1.095 278 F HN 0.302 nan 8.300 nan 0.000 0.574 279 G N -0.742 108.093 108.800 0.059 0.000 2.744 279 G HA2 -0.066 3.898 3.960 0.006 0.000 0.211 279 G HA3 -0.066 3.898 3.960 0.006 0.000 0.211 279 G C 1.673 176.614 174.900 0.068 0.000 1.143 279 G CA 0.012 45.143 45.100 0.051 0.000 0.788 279 G HN 0.260 nan 8.290 nan 0.000 0.534 280 L N 0.293 121.527 121.223 0.018 0.000 2.341 280 L HA 0.182 4.525 4.340 0.006 0.000 0.214 280 L C 0.038 176.846 176.870 -0.104 0.000 1.115 280 L CA 0.763 55.641 54.840 0.064 0.000 0.820 280 L CB 0.250 42.371 42.059 0.103 0.000 0.944 280 L HN -0.016 nan 8.230 nan 0.000 0.452 281 V N -0.869 118.958 119.914 -0.145 0.000 2.569 281 V HA 0.244 4.367 4.120 0.006 0.000 0.301 281 V C -1.837 174.009 176.094 -0.413 0.000 1.044 281 V CA -0.980 61.125 62.300 -0.324 0.000 0.874 281 V CB 1.699 33.415 31.823 -0.179 0.000 1.002 281 V HN -0.141 nan 8.190 nan 0.000 0.424 282 P HA -0.080 nan 4.420 nan 0.000 0.221 282 P C 1.604 178.692 177.300 -0.354 0.000 1.145 282 P CA 1.483 64.287 63.100 -0.494 0.000 0.795 282 P CB 0.309 31.634 31.700 -0.625 0.000 0.775 283 G N -0.513 107.928 108.800 -0.600 0.000 2.408 283 G HA2 -0.211 3.752 3.960 0.006 0.000 0.217 283 G HA3 -0.211 3.752 3.960 0.006 0.000 0.217 283 G C 1.308 175.940 174.900 -0.446 0.000 1.150 283 G CA 0.499 45.007 45.100 -0.987 0.000 0.776 283 G HN 0.149 nan 8.290 nan 0.000 0.542 284 L N -0.281 120.729 121.223 -0.355 0.000 2.044 284 L HA 0.171 4.514 4.340 0.006 0.000 0.205 284 L C 2.722 179.483 176.870 -0.182 0.000 1.075 284 L CA 1.381 56.057 54.840 -0.273 0.000 0.747 284 L CB -0.780 41.021 42.059 -0.431 0.000 0.903 284 L HN 0.194 nan 8.230 nan 0.000 0.435 285 M N -1.390 118.108 119.600 -0.170 0.000 2.213 285 M HA -0.206 4.277 4.480 0.006 0.000 0.263 285 M C 2.188 178.360 176.300 -0.214 0.000 1.062 285 M CA 1.479 56.700 55.300 -0.132 0.000 1.105 285 M CB -0.443 32.066 32.600 -0.152 0.000 1.385 285 M HN 0.275 nan 8.290 nan 0.000 0.417 286 M N -1.366 118.064 119.600 -0.282 0.000 2.065 286 M HA -0.289 4.194 4.480 0.006 0.000 0.259 286 M C 1.749 177.858 176.300 -0.319 0.000 1.071 286 M CA 2.035 57.132 55.300 -0.340 0.000 1.109 286 M CB -0.425 31.999 32.600 -0.294 0.000 1.313 286 M HN 0.267 nan 8.290 nan 0.000 0.408 287 Y N 0.242 120.382 120.300 -0.268 0.000 2.242 287 Y HA -0.079 4.475 4.550 0.005 0.000 0.291 287 Y C 2.639 178.355 175.900 -0.307 0.000 1.137 287 Y CA 1.501 59.361 58.100 -0.399 0.000 1.181 287 Y CB -1.009 36.977 38.460 -0.790 0.000 0.989 287 Y HN 0.411 nan 8.280 nan 0.000 0.527 288 A N -0.759 122.040 122.820 -0.037 0.000 1.940 288 A HA -0.210 4.113 4.320 0.006 0.000 0.219 288 A C 2.288 179.908 177.584 0.061 0.000 1.176 288 A CA 2.365 54.514 52.037 0.187 0.000 0.631 288 A CB -1.125 18.038 19.000 0.272 0.000 0.814 288 A HN 0.414 nan 8.150 nan 0.000 0.446 289 T N 0.029 114.543 114.554 -0.067 0.000 2.812 289 T HA 0.006 4.360 4.350 0.006 0.000 0.264 289 T C 1.796 176.409 174.700 -0.144 0.000 1.042 289 T CA 1.249 63.269 62.100 -0.134 0.000 1.140 289 T CB -0.340 68.383 68.868 -0.241 0.000 0.870 289 T HN 0.424 nan 8.240 nan 0.000 0.445 290 I N -0.629 119.835 120.570 -0.177 0.000 2.208 290 I HA -0.196 3.977 4.170 0.006 0.000 0.245 290 I C 2.153 178.168 176.117 -0.169 0.000 1.097 290 I CA 1.537 62.699 61.300 -0.230 0.000 1.363 290 I CB -0.268 37.539 38.000 -0.322 0.000 1.051 290 I HN 0.350 nan 8.210 nan 0.000 0.413 291 W N 0.434 121.706 121.300 -0.048 0.000 2.453 291 W HA -0.046 4.617 4.660 0.005 0.000 0.289 291 W C 2.442 178.943 176.519 -0.029 0.000 1.215 291 W CA 0.293 57.625 57.345 -0.022 0.000 1.297 291 W CB -0.175 29.263 29.460 -0.038 0.000 1.113 291 W HN 0.070 nan 8.180 nan 0.000 0.551 292 L N 0.763 122.080 121.223 0.157 0.000 2.012 292 L HA -0.264 4.079 4.340 0.006 0.000 0.210 292 L C 2.527 179.445 176.870 0.080 0.000 1.073 292 L CA 1.790 56.685 54.840 0.091 0.000 0.748 292 L CB -0.326 41.758 42.059 0.043 0.000 0.891 292 L HN -0.089 nan 8.230 nan 0.000 0.431 293 R N -0.280 120.211 120.500 -0.016 0.000 2.083 293 R HA -0.245 4.099 4.340 0.006 0.000 0.237 293 R C 2.216 178.509 176.300 -0.012 0.000 1.137 293 R CA 1.736 57.791 56.100 -0.076 0.000 0.951 293 R CB -0.354 29.855 30.300 -0.151 0.000 0.851 293 R HN 0.395 nan 8.270 nan 0.000 0.434 294 E N -0.300 119.914 120.200 0.023 0.000 2.085 294 E HA -0.253 4.100 4.350 0.006 0.000 0.194 294 E C 1.740 178.431 176.600 0.151 0.000 0.994 294 E CA 1.936 58.371 56.400 0.059 0.000 0.801 294 E CB -0.221 29.510 29.700 0.051 0.000 0.743 294 E HN 0.521 nan 8.360 nan 0.000 0.453 295 H N -0.222 118.941 119.070 0.156 0.000 2.321 295 H HA -0.036 4.523 4.556 0.005 0.000 0.300 295 H C 1.628 177.040 175.328 0.139 0.000 1.087 295 H CA 2.204 58.366 56.048 0.189 0.000 1.319 295 H CB -0.142 29.763 29.762 0.238 0.000 1.379 295 H HN 0.138 nan 8.280 nan 0.000 0.501 296 N N 0.321 119.117 118.700 0.161 0.000 2.244 296 N HA -0.126 4.617 4.740 0.006 0.000 0.183 296 N C 1.983 177.483 175.510 -0.016 0.000 1.016 296 N CA 0.875 53.967 53.050 0.069 0.000 0.866 296 N CB -0.355 38.153 38.487 0.036 0.000 0.980 296 N HN 0.422 nan 8.380 nan 0.000 0.430 297 R N 0.831 121.318 120.500 -0.021 0.000 2.070 297 R HA -0.049 4.294 4.340 0.006 0.000 0.233 297 R C 1.677 177.967 176.300 -0.016 0.000 1.137 297 R CA 1.161 57.246 56.100 -0.025 0.000 0.945 297 R CB -0.281 30.001 30.300 -0.029 0.000 0.845 297 R HN -0.018 nan 8.270 nan 0.000 0.430 298 V N 0.372 120.275 119.914 -0.019 0.000 2.594 298 V HA -0.305 3.818 4.120 0.006 0.000 0.253 298 V C 2.506 178.593 176.094 -0.012 0.000 1.069 298 V CA 1.537 63.835 62.300 -0.004 0.000 1.082 298 V CB -0.475 31.357 31.823 0.016 0.000 0.680 298 V HN 0.536 nan 8.190 nan 0.000 0.469 299 C N 0.008 119.269 119.300 -0.066 0.000 2.432 299 C HA -0.156 4.308 4.460 0.006 0.000 0.277 299 C C 2.525 177.545 174.990 0.049 0.000 1.249 299 C CA 0.950 59.966 59.018 -0.003 0.000 1.725 299 C CB -0.980 26.760 27.740 -0.000 0.000 2.028 299 C HN 0.600 nan 8.230 nan 0.000 0.477 300 D N 0.684 121.101 120.400 0.029 0.000 2.144 300 D HA -0.072 4.572 4.640 0.006 0.000 0.199 300 D C 1.916 178.232 176.300 0.027 0.000 0.984 300 D CA 1.139 55.158 54.000 0.032 0.000 0.834 300 D CB -0.347 40.462 40.800 0.015 0.000 0.955 300 D HN 0.480 nan 8.370 nan 0.000 0.465 301 I N 0.542 121.126 120.570 0.023 0.000 2.202 301 I HA -0.222 3.951 4.170 0.006 0.000 0.242 301 I C 2.461 178.593 176.117 0.026 0.000 1.091 301 I CA 0.662 61.972 61.300 0.018 0.000 1.368 301 I CB -0.090 37.924 38.000 0.023 0.000 1.058 301 I HN -0.041 nan 8.210 nan 0.000 0.410 302 L N 0.514 121.781 121.223 0.073 0.000 2.093 302 L HA -0.226 4.117 4.340 0.006 0.000 0.208 302 L C 2.610 179.532 176.870 0.086 0.000 1.085 302 L CA 1.343 56.257 54.840 0.123 0.000 0.755 302 L CB -0.502 41.703 42.059 0.244 0.000 0.904 302 L HN 0.237 nan 8.230 nan 0.000 0.435 303 K N 0.113 120.570 120.400 0.095 0.000 2.057 303 K HA -0.276 4.047 4.320 0.006 0.000 0.207 303 K C 2.176 178.775 176.600 -0.002 0.000 1.049 303 K CA 1.576 57.912 56.287 0.082 0.000 0.931 303 K CB 0.025 32.582 32.500 0.094 0.000 0.714 303 K HN 0.095 nan 8.250 nan 0.000 0.440 304 Q N 0.856 120.643 119.800 -0.022 0.000 2.096 304 Q HA -0.184 4.159 4.340 0.006 0.000 0.204 304 Q C 1.596 177.512 176.000 -0.140 0.000 0.982 304 Q CA 1.903 57.671 55.803 -0.059 0.000 0.850 304 Q CB 0.082 28.793 28.738 -0.044 0.000 0.901 304 Q HN 0.297 nan 8.270 nan 0.000 0.422 305 E N -0.714 119.358 120.200 -0.214 0.000 2.285 305 E HA -0.062 4.291 4.350 0.006 0.000 0.194 305 E C 0.092 176.214 176.600 -0.797 0.000 0.997 305 E CA 0.702 56.822 56.400 -0.466 0.000 0.845 305 E CB 0.273 29.666 29.700 -0.512 0.000 0.782 305 E HN 0.472 nan 8.360 nan 0.000 0.491 306 H N -0.090 118.765 119.070 -0.359 0.000 2.429 306 H HA 0.165 4.724 4.556 0.005 0.000 0.231 306 H C -1.870 173.324 175.328 -0.224 0.000 1.416 306 H CA -1.501 54.227 56.048 -0.534 0.000 1.443 306 H CB 1.201 30.146 29.762 -1.362 0.000 1.591 306 H HN -0.009 nan 8.280 nan 0.000 0.507 307 P HA -0.105 nan 4.420 nan 0.000 0.228 307 P C 0.703 178.056 177.300 0.087 0.000 1.151 307 P CA 0.863 63.979 63.100 0.027 0.000 0.770 307 P CB 0.432 32.132 31.700 -0.001 0.000 0.786 308 E N -2.138 118.121 120.200 0.097 0.000 2.427 308 E HA -0.059 4.294 4.350 0.006 0.000 0.196 308 E C 0.395 177.198 176.600 0.338 0.000 1.028 308 E CA 0.293 56.801 56.400 0.180 0.000 0.864 308 E CB -0.610 29.202 29.700 0.188 0.000 0.813 308 E HN 0.245 nan 8.360 nan 0.000 0.514 309 W N 1.586 122.938 121.300 0.086 0.000 2.251 309 W HA 0.590 5.253 4.660 0.005 0.000 0.329 309 W C 1.083 177.638 176.519 0.060 0.000 1.234 309 W CA -1.120 56.260 57.345 0.058 0.000 1.228 309 W CB 0.698 30.188 29.460 0.050 0.000 1.135 309 W HN -0.019 nan 8.180 nan 0.000 0.576 310 G N 0.865 109.784 108.800 0.199 0.000 2.535 310 G HA2 0.107 4.071 3.960 0.006 0.000 0.303 310 G HA3 0.107 4.071 3.960 0.006 0.000 0.303 310 G C 0.350 175.327 174.900 0.128 0.000 1.237 310 G CA -0.193 44.984 45.100 0.129 0.000 0.986 310 G HN 0.480 nan 8.290 nan 0.000 0.494 311 D N -0.967 119.509 120.400 0.127 0.000 2.104 311 D HA -0.160 4.483 4.640 0.006 0.000 0.194 311 D C 2.031 178.415 176.300 0.141 0.000 0.994 311 D CA 1.522 55.611 54.000 0.148 0.000 0.830 311 D CB 0.173 41.070 40.800 0.162 0.000 0.959 311 D HN 0.299 nan 8.370 nan 0.000 0.452 312 E N 0.122 120.381 120.200 0.098 0.000 2.038 312 E HA -0.235 4.118 4.350 0.006 0.000 0.195 312 E C 2.052 178.691 176.600 0.065 0.000 1.000 312 E CA 1.013 57.471 56.400 0.097 0.000 0.803 312 E CB -0.469 29.261 29.700 0.049 0.000 0.750 312 E HN 0.553 nan 8.360 nan 0.000 0.448 313 Q N 0.162 119.901 119.800 -0.101 0.000 2.119 313 Q HA -0.097 4.247 4.340 0.006 0.000 0.201 313 Q C 2.436 178.293 176.000 -0.239 0.000 0.972 313 Q CA 0.905 56.495 55.803 -0.355 0.000 0.847 313 Q CB -0.058 28.184 28.738 -0.827 0.000 0.903 313 Q HN 0.220 nan 8.270 nan 0.000 0.433 314 L N -0.213 121.025 121.223 0.025 0.000 2.046 314 L HA -0.154 4.189 4.340 0.006 0.000 0.208 314 L C 2.302 179.278 176.870 0.175 0.000 1.077 314 L CA 1.195 56.166 54.840 0.219 0.000 0.747 314 L CB -0.450 41.776 42.059 0.279 0.000 0.896 314 L HN 0.336 nan 8.230 nan 0.000 0.432 315 F N 0.347 120.336 119.950 0.065 0.000 2.113 315 F HA -0.210 4.320 4.527 0.006 0.000 0.297 315 F C 2.679 178.517 175.800 0.064 0.000 1.103 315 F CA 1.433 59.501 58.000 0.112 0.000 1.248 315 F CB -0.158 38.873 39.000 0.052 0.000 0.999 315 F HN 0.015 nan 8.300 nan 0.000 0.475 316 Q N 0.003 119.769 119.800 -0.057 0.000 2.119 316 Q HA -0.113 4.230 4.340 0.006 0.000 0.201 316 Q C 2.230 178.132 176.000 -0.164 0.000 0.972 316 Q CA 2.049 57.736 55.803 -0.193 0.000 0.847 316 Q CB -1.024 27.699 28.738 -0.025 0.000 0.903 316 Q HN 0.417 nan 8.270 nan 0.000 0.433 317 T N 0.995 115.501 114.554 -0.079 0.000 2.777 317 T HA -0.072 4.281 4.350 0.006 0.000 0.266 317 T C 2.172 176.928 174.700 0.093 0.000 1.040 317 T CA 1.389 63.514 62.100 0.042 0.000 1.141 317 T CB -0.128 68.814 68.868 0.123 0.000 0.868 317 T HN 0.202 nan 8.240 nan 0.000 0.444 318 S N 1.025 116.735 115.700 0.017 0.000 2.370 318 S HA -0.129 4.344 4.470 0.006 0.000 0.226 318 S C 2.077 176.716 174.600 0.065 0.000 1.033 318 S CA 1.166 59.366 58.200 0.001 0.000 1.011 318 S CB -0.278 62.770 63.200 -0.254 0.000 0.852 318 S HN 0.445 nan 8.310 nan 0.000 0.457 319 R N 1.014 121.445 120.500 -0.114 0.000 2.091 319 R HA -0.029 4.315 4.340 0.006 0.000 0.238 319 R C 2.183 178.528 176.300 0.075 0.000 1.136 319 R CA 1.154 57.169 56.100 -0.142 0.000 0.959 319 R CB -0.404 29.465 30.300 -0.718 0.000 0.856 319 R HN 0.353 nan 8.270 nan 0.000 0.437 320 L N 0.415 121.708 121.223 0.117 0.000 2.042 320 L HA -0.214 4.129 4.340 0.006 0.000 0.210 320 L C 2.464 179.579 176.870 0.408 0.000 1.076 320 L CA 1.357 56.385 54.840 0.313 0.000 0.749 320 L CB -0.346 41.938 42.059 0.375 0.000 0.893 320 L HN 0.328 nan 8.230 nan 0.000 0.432 321 I N -0.723 120.048 120.570 0.335 0.000 2.202 321 I HA -0.304 3.869 4.170 0.006 0.000 0.242 321 I C 2.318 178.562 176.117 0.212 0.000 1.091 321 I CA 1.075 62.506 61.300 0.219 0.000 1.368 321 I CB -0.093 38.027 38.000 0.200 0.000 1.058 321 I HN 0.194 nan 8.210 nan 0.000 0.410 322 L N 0.290 121.665 121.223 0.254 0.000 2.141 322 L HA -0.159 4.185 4.340 0.006 0.000 0.209 322 L C 2.266 179.238 176.870 0.170 0.000 1.094 322 L CA 1.660 56.670 54.840 0.283 0.000 0.763 322 L CB -0.540 41.721 42.059 0.337 0.000 0.908 322 L HN 0.158 nan 8.230 nan 0.000 0.437 323 I N -0.914 119.767 120.570 0.184 0.000 2.163 323 I HA -0.261 3.912 4.170 0.006 0.000 0.243 323 I C 2.524 178.744 176.117 0.172 0.000 1.085 323 I CA 1.540 62.936 61.300 0.160 0.000 1.347 323 I CB -0.978 37.142 38.000 0.200 0.000 1.044 323 I HN 0.343 nan 8.210 nan 0.000 0.408 324 G N 0.230 109.168 108.800 0.230 0.000 2.446 324 G HA2 -0.236 3.728 3.960 0.006 0.000 0.217 324 G HA3 -0.236 3.728 3.960 0.006 0.000 0.217 324 G C 1.513 176.525 174.900 0.188 0.000 1.168 324 G CA 0.671 45.926 45.100 0.259 0.000 0.771 324 G HN 0.416 nan 8.290 nan 0.000 0.551 325 E N -0.128 120.197 120.200 0.208 0.000 2.085 325 E HA -0.125 4.228 4.350 0.006 0.000 0.194 325 E C 2.781 179.539 176.600 0.262 0.000 0.994 325 E CA 1.511 58.065 56.400 0.255 0.000 0.801 325 E CB -0.290 29.638 29.700 0.379 0.000 0.743 325 E HN 0.359 nan 8.360 nan 0.000 0.453 326 T N 1.499 116.189 114.554 0.226 0.000 2.708 326 T HA -0.130 4.223 4.350 0.006 0.000 0.266 326 T C 2.010 176.715 174.700 0.008 0.000 1.037 326 T CA 0.953 63.149 62.100 0.160 0.000 1.146 326 T CB -0.183 68.659 68.868 -0.044 0.000 0.865 326 T HN 0.121 nan 8.240 nan 0.000 0.435 327 I N 0.776 121.277 120.570 -0.115 0.000 2.286 327 I HA -0.161 4.013 4.170 0.006 0.000 0.248 327 I C 2.552 178.312 176.117 -0.596 0.000 1.115 327 I CA 1.104 62.169 61.300 -0.392 0.000 1.392 327 I CB -0.292 37.346 38.000 -0.603 0.000 1.065 327 I HN 0.148 nan 8.210 nan 0.000 0.418 328 K N 1.950 122.060 120.400 -0.484 0.000 2.009 328 K HA -0.158 4.166 4.320 0.006 0.000 0.210 328 K C 1.895 178.482 176.600 -0.021 0.000 1.049 328 K CA 1.836 58.024 56.287 -0.164 0.000 0.929 328 K CB -0.408 32.172 32.500 0.133 0.000 0.714 328 K HN 0.231 nan 8.250 nan 0.000 0.440 329 I N 0.122 120.716 120.570 0.040 0.000 2.226 329 I HA -0.243 3.931 4.170 0.006 0.000 0.245 329 I C 2.076 178.221 176.117 0.046 0.000 1.100 329 I CA 0.923 62.269 61.300 0.077 0.000 1.374 329 I CB -0.191 37.914 38.000 0.174 0.000 1.057 329 I HN -0.003 nan 8.210 nan 0.000 0.413 330 V N 1.079 120.968 119.914 -0.042 0.000 2.343 330 V HA -0.258 3.865 4.120 0.006 0.000 0.247 330 V C 2.232 178.375 176.094 0.081 0.000 1.051 330 V CA 1.818 64.056 62.300 -0.103 0.000 1.036 330 V CB -0.288 31.310 31.823 -0.376 0.000 0.654 330 V HN 0.328 nan 8.190 nan 0.000 0.451 331 I N -0.601 119.983 120.570 0.024 0.000 2.277 331 I HA -0.133 4.040 4.170 0.006 0.000 0.243 331 I C 2.385 178.561 176.117 0.099 0.000 1.094 331 I CA 1.404 62.751 61.300 0.080 0.000 1.393 331 I CB -0.189 37.848 38.000 0.062 0.000 1.078 331 I HN 0.300 nan 8.210 nan 0.000 0.417 332 E N 0.041 120.293 120.200 0.087 0.000 2.340 332 E HA -0.088 4.265 4.350 0.006 0.000 0.194 332 E C 0.994 177.647 176.600 0.087 0.000 0.996 332 E CA 0.510 56.954 56.400 0.074 0.000 0.869 332 E CB 0.354 30.096 29.700 0.070 0.000 0.835 332 E HN 0.444 nan 8.360 nan 0.000 0.493 333 D N -0.779 119.709 120.400 0.147 0.000 2.856 333 D HA -0.043 4.600 4.640 0.006 0.000 0.283 333 D C 1.466 178.014 176.300 0.414 0.000 1.051 333 D CA 0.266 54.405 54.000 0.233 0.000 0.965 333 D CB -0.212 40.690 40.800 0.169 0.000 1.201 333 D HN 0.045 nan 8.370 nan 0.000 0.474 334 Y N 2.429 122.860 120.300 0.217 0.000 2.109 334 Y HA -0.175 4.379 4.550 0.006 0.000 0.281 334 Y C 2.260 178.238 175.900 0.129 0.000 1.113 334 Y CA 1.500 59.608 58.100 0.013 0.000 1.098 334 Y CB -0.476 37.859 38.460 -0.208 0.000 0.996 334 Y HN -0.279 nan 8.280 nan 0.000 0.485 335 V N 0.906 120.989 119.914 0.283 0.000 2.392 335 V HA -0.324 3.799 4.120 0.006 0.000 0.249 335 V C 2.333 178.415 176.094 -0.019 0.000 1.059 335 V CA 2.095 64.478 62.300 0.138 0.000 1.051 335 V CB -0.926 31.017 31.823 0.201 0.000 0.658 335 V HN 0.462 nan 8.190 nan 0.000 0.455 336 Q N 0.832 120.650 119.800 0.031 0.000 2.029 336 Q HA -0.307 4.036 4.340 0.006 0.000 0.209 336 Q C 2.153 178.104 176.000 -0.083 0.000 0.999 336 Q CA 2.815 58.603 55.803 -0.024 0.000 0.857 336 Q CB -0.706 28.055 28.738 0.037 0.000 0.926 336 Q HN 0.864 nan 8.270 nan 0.000 0.415 337 H N -1.034 117.978 119.070 -0.096 0.000 2.387 337 H HA -0.073 4.486 4.556 0.006 0.000 0.299 337 H C 1.568 176.701 175.328 -0.325 0.000 1.090 337 H CA 1.568 57.516 56.048 -0.166 0.000 1.332 337 H CB -0.286 29.418 29.762 -0.097 0.000 1.386 337 H HN 0.326 nan 8.280 nan 0.000 0.516 338 L N 0.640 121.521 121.223 -0.571 0.000 2.056 338 L HA -0.132 4.212 4.340 0.006 0.000 0.207 338 L C 2.763 179.287 176.870 -0.576 0.000 1.078 338 L CA 1.963 56.394 54.840 -0.681 0.000 0.749 338 L CB -1.126 40.728 42.059 -0.342 0.000 0.901 338 L HN 0.598 nan 8.230 nan 0.000 0.433 339 S N -0.934 114.465 115.700 -0.503 0.000 2.382 339 S HA -0.024 4.450 4.470 0.006 0.000 0.228 339 S C 1.794 176.076 174.600 -0.531 0.000 1.027 339 S CA 0.866 58.645 58.200 -0.703 0.000 0.991 339 S CB -0.827 61.641 63.200 -1.220 0.000 0.823 339 S HN 0.640 nan 8.310 nan 0.000 0.469 340 G N -0.118 108.426 108.800 -0.426 0.000 2.168 340 G HA2 -0.266 3.697 3.960 0.006 0.000 0.263 340 G HA3 -0.266 3.697 3.960 0.006 0.000 0.263 340 G C -0.081 174.667 174.900 -0.253 0.000 0.977 340 G CA 0.452 45.363 45.100 -0.314 0.000 0.659 340 G HN 0.526 nan 8.290 nan 0.000 0.533 341 Y N -0.078 120.034 120.300 -0.312 0.000 2.480 341 Y HA 0.363 4.916 4.550 0.005 0.000 0.338 341 Y C 1.763 177.426 175.900 -0.394 0.000 1.220 341 Y CA -0.026 57.846 58.100 -0.380 0.000 1.430 341 Y CB 0.286 38.605 38.460 -0.233 0.000 1.311 341 Y HN 0.321 nan 8.280 nan 0.000 0.575 342 H N 0.925 119.870 119.070 -0.209 0.000 2.497 342 H HA 0.002 4.562 4.556 0.005 0.000 0.282 342 H C 0.094 175.324 175.328 -0.163 0.000 1.003 342 H CA -0.129 55.820 56.048 -0.165 0.000 1.307 342 H CB 0.188 29.905 29.762 -0.076 0.000 1.437 342 H HN 0.413 nan 8.280 nan 0.000 0.544 343 F N 2.804 122.435 119.950 -0.532 0.000 2.538 343 F HA 0.089 4.619 4.527 0.005 0.000 0.371 343 F C 0.368 176.124 175.800 -0.073 0.000 1.087 343 F CA -0.553 57.233 58.000 -0.357 0.000 1.250 343 F CB 0.426 38.973 39.000 -0.754 0.000 1.110 343 F HN -0.211 nan 8.300 nan 0.000 0.570 344 K N 7.868 127.823 120.400 -0.742 0.000 2.273 344 K HA 0.295 4.618 4.320 0.006 0.000 0.287 344 K C -0.496 175.564 176.600 -0.901 0.000 1.089 344 K CA -0.458 55.489 56.287 -0.566 0.000 0.909 344 K CB 0.268 32.600 32.500 -0.280 0.000 1.123 344 K HN 0.732 nan 8.250 nan 0.000 0.473 345 L N 3.502 124.422 121.223 -0.504 0.000 2.483 345 L HA 0.115 4.459 4.340 0.006 0.000 0.275 345 L C 0.386 177.174 176.870 -0.137 0.000 1.220 345 L CA 0.490 55.170 54.840 -0.267 0.000 0.833 345 L CB 0.405 42.452 42.059 -0.020 0.000 1.102 345 L HN 0.542 nan 8.230 nan 0.000 0.490 346 K N 1.945 122.341 120.400 -0.008 0.000 2.427 346 K HA 0.326 4.649 4.320 0.006 0.000 0.252 346 K C -1.358 175.326 176.600 0.141 0.000 0.931 346 K CA -0.739 55.578 56.287 0.051 0.000 0.793 346 K CB 1.655 34.175 32.500 0.033 0.000 1.211 346 K HN 0.265 nan 8.250 nan 0.000 0.426 347 F N 4.448 124.390 119.950 -0.014 0.000 2.368 347 F HA 0.307 4.837 4.527 0.005 0.000 0.362 347 F C -0.864 174.894 175.800 -0.071 0.000 1.137 347 F CA -0.772 57.204 58.000 -0.041 0.000 1.161 347 F CB 0.443 39.436 39.000 -0.013 0.000 1.265 347 F HN 0.424 nan 8.300 nan 0.000 0.530 348 D N 8.423 128.561 120.400 -0.436 0.000 2.328 348 D HA 0.309 4.953 4.640 0.006 0.000 0.243 348 D C -2.235 173.680 176.300 -0.642 0.000 1.324 348 D CA -1.911 51.776 54.000 -0.521 0.000 0.966 348 D CB 1.817 42.495 40.800 -0.205 0.000 1.324 348 D HN 0.157 nan 8.370 nan 0.000 0.549 349 P HA -0.152 nan 4.420 nan 0.000 0.217 349 P C 0.875 177.515 177.300 -1.099 0.000 1.148 349 P CA 1.101 63.612 63.100 -0.982 0.000 0.834 349 P CB 0.353 31.184 31.700 -1.448 0.000 0.783 350 E N -0.639 118.943 120.200 -1.030 0.000 2.265 350 E HA -0.131 4.222 4.350 0.006 0.000 0.196 350 E C 1.761 177.994 176.600 -0.612 0.000 0.996 350 E CA 0.693 56.411 56.400 -1.136 0.000 0.832 350 E CB -0.579 28.956 29.700 -0.274 0.000 0.756 350 E HN 0.349 nan 8.360 nan 0.000 0.491 351 L N 0.347 121.331 121.223 -0.398 0.000 2.456 351 L HA -0.111 4.232 4.340 0.006 0.000 0.224 351 L C 1.935 178.715 176.870 -0.151 0.000 1.148 351 L CA 0.632 55.361 54.840 -0.185 0.000 0.825 351 L CB -0.115 41.867 42.059 -0.128 0.000 0.937 351 L HN 0.160 nan 8.230 nan 0.000 0.450 352 L N -2.291 118.794 121.223 -0.230 0.000 2.693 352 L HA 0.106 4.449 4.340 0.006 0.000 0.235 352 L C 1.890 178.892 176.870 0.220 0.000 1.127 352 L CA -0.084 54.709 54.840 -0.079 0.000 0.914 352 L CB 0.000 41.903 42.059 -0.260 0.000 1.193 352 L HN 0.156 nan 8.230 nan 0.000 0.502 353 F N 1.501 121.515 119.950 0.106 0.000 2.234 353 F HA -0.148 4.383 4.527 0.006 0.000 0.299 353 F C 1.697 177.577 175.800 0.132 0.000 1.087 353 F CA 0.564 58.655 58.000 0.152 0.000 1.340 353 F CB 0.060 39.145 39.000 0.141 0.000 1.031 353 F HN 0.396 nan 8.300 nan 0.000 0.500 354 N N -0.057 118.822 118.700 0.298 0.000 2.376 354 N HA 0.091 4.835 4.740 0.006 0.000 0.249 354 N C -0.577 175.027 175.510 0.156 0.000 1.140 354 N CA -0.031 53.138 53.050 0.198 0.000 0.870 354 N CB 0.148 38.731 38.487 0.161 0.000 1.124 354 N HN 0.190 nan 8.380 nan 0.000 0.505 355 Q N -0.117 119.787 119.800 0.173 0.000 2.451 355 Q HA 0.392 4.736 4.340 0.006 0.000 0.281 355 Q C -1.236 174.860 176.000 0.159 0.000 1.099 355 Q CA -0.570 55.315 55.803 0.136 0.000 0.806 355 Q CB 1.847 30.643 28.738 0.097 0.000 1.419 355 Q HN 0.276 nan 8.270 nan 0.000 0.427 356 Q N 1.517 121.399 119.800 0.137 0.000 2.294 356 Q HA 0.543 4.887 4.340 0.006 0.000 0.257 356 Q C -1.297 174.817 176.000 0.191 0.000 0.955 356 Q CA -0.017 55.866 55.803 0.134 0.000 0.936 356 Q CB 0.760 29.552 28.738 0.090 0.000 1.188 356 Q HN 0.518 nan 8.270 nan 0.000 0.420 357 F N 1.222 121.128 119.950 -0.073 0.000 2.690 357 F HA 0.133 4.663 4.527 0.005 0.000 0.311 357 F C -1.656 173.970 175.800 -0.288 0.000 1.111 357 F CA -0.816 57.070 58.000 -0.191 0.000 1.003 357 F CB 1.572 40.410 39.000 -0.270 0.000 1.283 357 F HN 0.285 nan 8.300 nan 0.000 0.442 358 Q N 5.386 124.595 119.800 -0.985 0.000 2.368 358 Q HA 0.218 4.561 4.340 0.006 0.000 0.256 358 Q C -1.312 174.249 176.000 -0.732 0.000 0.980 358 Q CA -0.303 55.122 55.803 -0.630 0.000 0.887 358 Q CB 1.054 29.543 28.738 -0.415 0.000 1.221 358 Q HN 0.678 nan 8.270 nan 0.000 0.458 359 Y N 3.162 123.396 120.300 -0.110 0.000 2.532 359 Y HA 0.051 4.605 4.550 0.006 0.000 0.337 359 Y C 0.807 176.692 175.900 -0.025 0.000 1.274 359 Y CA -0.069 58.049 58.100 0.029 0.000 1.817 359 Y CB 0.161 38.712 38.460 0.151 0.000 1.769 359 Y HN 0.427 nan 8.280 nan 0.000 0.447 360 Q N 0.603 120.398 119.800 -0.009 0.000 2.594 360 Q HA 0.472 4.816 4.340 0.006 0.000 0.278 360 Q C -2.193 173.767 176.000 -0.067 0.000 0.961 360 Q CA -1.148 54.645 55.803 -0.018 0.000 0.844 360 Q CB 1.826 30.549 28.738 -0.025 0.000 1.475 360 Q HN 0.372 nan 8.270 nan 0.000 0.389 361 N N -0.108 118.562 118.700 -0.050 0.000 2.484 361 N HA 0.674 5.417 4.740 0.006 0.000 0.269 361 N C -2.166 173.289 175.510 -0.091 0.000 1.237 361 N CA -0.525 52.490 53.050 -0.058 0.000 0.838 361 N CB 2.489 40.961 38.487 -0.024 0.000 1.593 361 N HN 0.637 nan 8.380 nan 0.000 0.485 362 R N 2.242 122.684 120.500 -0.097 0.000 2.533 362 R HA 0.507 4.851 4.340 0.006 0.000 0.288 362 R C -1.151 175.164 176.300 0.025 0.000 1.039 362 R CA -0.559 55.428 56.100 -0.189 0.000 0.909 362 R CB 0.692 30.805 30.300 -0.311 0.000 1.195 362 R HN 0.511 nan 8.270 nan 0.000 0.438 363 I N 3.462 124.206 120.570 0.290 0.000 2.533 363 I HA 0.233 4.406 4.170 0.006 0.000 0.284 363 I C 0.535 176.812 176.117 0.266 0.000 1.109 363 I CA 0.001 61.483 61.300 0.303 0.000 1.412 363 I CB 0.678 38.937 38.000 0.432 0.000 1.396 363 I HN 0.711 nan 8.210 nan 0.000 0.543 364 A N 4.750 127.593 122.820 0.038 0.000 2.309 364 A HA 0.310 4.633 4.320 0.006 0.000 0.298 364 A C 1.253 178.736 177.584 -0.168 0.000 1.165 364 A CA -0.204 51.759 52.037 -0.124 0.000 0.821 364 A CB 0.875 19.558 19.000 -0.528 0.000 1.102 364 A HN 0.807 nan 8.150 nan 0.000 0.500 365 S N 1.296 116.918 115.700 -0.129 0.000 2.374 365 S HA -0.207 4.267 4.470 0.006 0.000 0.227 365 S C 1.590 176.054 174.600 -0.227 0.000 1.037 365 S CA 2.458 60.501 58.200 -0.262 0.000 1.024 365 S CB -0.348 62.847 63.200 -0.009 0.000 0.861 365 S HN 0.798 nan 8.310 nan 0.000 0.456 366 E N 0.102 120.176 120.200 -0.210 0.000 2.150 366 E HA -0.037 4.316 4.350 0.006 0.000 0.193 366 E C 1.607 178.106 176.600 -0.168 0.000 0.985 366 E CA 0.983 57.254 56.400 -0.215 0.000 0.814 366 E CB -0.340 29.183 29.700 -0.295 0.000 0.752 366 E HN 0.575 nan 8.360 nan 0.000 0.466 367 F N 2.160 121.761 119.950 -0.581 0.000 2.075 367 F HA -0.214 4.316 4.527 0.005 0.000 0.297 367 F C 2.013 177.667 175.800 -0.243 0.000 1.113 367 F CA 1.386 59.163 58.000 -0.372 0.000 1.218 367 F CB -0.680 38.007 39.000 -0.521 0.000 0.984 367 F HN 0.026 nan 8.300 nan 0.000 0.472 368 N N 0.127 118.475 118.700 -0.587 0.000 2.036 368 N HA -0.198 4.546 4.740 0.006 0.000 0.195 368 N C 1.715 176.840 175.510 -0.643 0.000 1.037 368 N CA 2.562 54.814 53.050 -1.330 0.000 0.855 368 N CB -0.690 37.080 38.487 -1.195 0.000 1.033 368 N HN 0.340 nan 8.380 nan 0.000 0.423 369 T N 1.922 116.206 114.554 -0.450 0.000 2.684 369 T HA -0.156 4.197 4.350 0.006 0.000 0.267 369 T C 1.900 176.505 174.700 -0.159 0.000 1.036 369 T CA 1.719 63.545 62.100 -0.457 0.000 1.148 369 T CB -0.437 68.300 68.868 -0.219 0.000 0.863 369 T HN 0.444 nan 8.240 nan 0.000 0.436 370 L N -1.376 119.837 121.223 -0.017 0.000 2.456 370 L HA 0.192 4.535 4.340 0.006 0.000 0.224 370 L C 1.734 178.693 176.870 0.148 0.000 1.148 370 L CA 1.290 56.200 54.840 0.117 0.000 0.825 370 L CB -1.021 41.097 42.059 0.098 0.000 0.937 370 L HN 0.177 nan 8.230 nan 0.000 0.450 371 Y N -0.431 119.767 120.300 -0.170 0.000 2.485 371 Y HA 0.223 4.777 4.550 0.006 0.000 0.260 371 Y C 0.778 176.350 175.900 -0.545 0.000 1.173 371 Y CA -0.377 57.322 58.100 -0.668 0.000 1.252 371 Y CB 0.030 38.072 38.460 -0.697 0.000 1.123 371 Y HN 0.275 nan 8.280 nan 0.000 0.524 372 H N 0.264 119.288 119.070 -0.076 0.000 3.392 372 H HA -0.082 4.477 4.556 0.006 0.000 0.253 372 H C -0.505 174.998 175.328 0.292 0.000 1.682 372 H CA -0.255 55.825 56.048 0.052 0.000 1.535 372 H CB -0.307 29.546 29.762 0.152 0.000 1.823 372 H HN 0.399 nan 8.280 nan 0.000 0.576 373 W N 1.542 122.867 121.300 0.041 0.000 3.066 373 W HA 0.096 4.760 4.660 0.006 0.000 0.442 373 W C 0.758 177.308 176.519 0.051 0.000 0.820 373 W CA -0.865 56.543 57.345 0.104 0.000 2.047 373 W CB -1.199 28.372 29.460 0.185 0.000 0.980 373 W HN 0.652 nan 8.180 nan 0.000 0.825 374 H N 0.405 119.722 119.070 0.412 0.000 2.489 374 H HA -0.102 4.457 4.556 0.005 0.000 0.293 374 H C -0.508 174.978 175.328 0.264 0.000 1.066 374 H CA 1.479 57.712 56.048 0.308 0.000 1.305 374 H CB -1.136 28.788 29.762 0.271 0.000 1.386 374 H HN 0.014 nan 8.280 nan 0.000 0.551 375 P HA -0.153 nan 4.420 nan 0.000 0.221 375 P C 1.149 178.562 177.300 0.188 0.000 1.145 375 P CA 1.029 64.254 63.100 0.208 0.000 0.795 375 P CB 0.009 31.786 31.700 0.128 0.000 0.775 376 L N -1.736 119.616 121.223 0.214 0.000 2.079 376 L HA -0.143 4.201 4.340 0.006 0.000 0.210 376 L C 1.153 178.129 176.870 0.177 0.000 1.081 376 L CA 0.719 55.669 54.840 0.184 0.000 0.752 376 L CB -0.839 41.359 42.059 0.231 0.000 0.896 376 L HN 0.011 nan 8.230 nan 0.000 0.433 377 L N 1.052 122.402 121.223 0.210 0.000 2.453 377 L HA 0.121 4.464 4.340 0.006 0.000 0.272 377 L C -1.881 175.082 176.870 0.156 0.000 1.182 377 L CA -1.531 53.415 54.840 0.177 0.000 0.858 377 L CB -0.120 42.178 42.059 0.397 0.000 1.120 377 L HN -0.099 nan 8.230 nan 0.000 0.474 378 P HA 0.148 nan 4.420 nan 0.000 0.284 378 P C -0.429 176.707 177.300 -0.273 0.000 1.292 378 P CA -0.489 62.418 63.100 -0.322 0.000 0.800 378 P CB 1.127 32.470 31.700 -0.594 0.000 1.188 379 D N -1.114 119.091 120.400 -0.324 0.000 2.149 379 D HA -0.020 4.623 4.640 0.006 0.000 0.201 379 D C 0.823 177.039 176.300 -0.141 0.000 0.972 379 D CA 1.683 55.624 54.000 -0.098 0.000 0.835 379 D CB -0.037 40.690 40.800 -0.123 0.000 0.966 379 D HN 0.531 nan 8.370 nan 0.000 0.476 380 T N -2.304 112.017 114.554 -0.389 0.000 2.896 380 T HA 0.566 4.919 4.350 0.006 0.000 0.297 380 T C -0.723 173.582 174.700 -0.659 0.000 1.108 380 T CA -0.913 60.952 62.100 -0.392 0.000 1.004 380 T CB 1.378 70.144 68.868 -0.170 0.000 1.159 380 T HN -0.219 nan 8.240 nan 0.000 0.499 381 F N 2.061 121.839 119.950 -0.285 0.000 2.385 381 F HA 0.467 4.997 4.527 0.006 0.000 0.360 381 F C 0.410 176.126 175.800 -0.141 0.000 1.122 381 F CA -1.018 56.778 58.000 -0.340 0.000 1.090 381 F CB 0.943 39.356 39.000 -0.979 0.000 1.150 381 F HN 0.426 nan 8.300 nan 0.000 0.472 382 N N 5.356 124.073 118.700 0.029 0.000 2.485 382 N HA 0.454 5.198 4.740 0.006 0.000 0.243 382 N C -0.803 174.648 175.510 -0.097 0.000 0.987 382 N CA -0.209 52.815 53.050 -0.044 0.000 0.940 382 N CB 1.480 39.921 38.487 -0.077 0.000 1.122 382 N HN 0.506 nan 8.380 nan 0.000 0.509 383 I N 1.252 121.717 120.570 -0.175 0.000 2.418 383 I HA 0.155 4.329 4.170 0.006 0.000 0.287 383 I C 0.992 176.935 176.117 -0.290 0.000 1.008 383 I CA -0.405 60.652 61.300 -0.405 0.000 1.104 383 I CB 1.227 38.786 38.000 -0.735 0.000 1.264 383 I HN 0.488 nan 8.210 nan 0.000 0.438 384 E N 2.802 122.889 120.200 -0.188 0.000 3.296 384 E HA -0.325 4.028 4.350 0.006 0.000 0.422 384 E C 0.224 176.806 176.600 -0.031 0.000 1.557 384 E CA 2.112 58.488 56.400 -0.039 0.000 1.302 384 E CB -0.452 29.317 29.700 0.116 0.000 1.497 384 E HN 0.761 nan 8.360 nan 0.000 0.467 385 D N 0.533 120.942 120.400 0.014 0.000 2.271 385 D HA 0.004 4.647 4.640 0.006 0.000 0.206 385 D C 0.447 176.702 176.300 -0.075 0.000 0.967 385 D CA 0.743 54.733 54.000 -0.015 0.000 0.867 385 D CB 0.044 40.852 40.800 0.014 0.000 0.960 385 D HN 0.095 nan 8.370 nan 0.000 0.509 386 Q N 0.707 120.438 119.800 -0.116 0.000 2.368 386 Q HA 0.276 4.620 4.340 0.006 0.000 0.237 386 Q C -0.210 175.563 176.000 -0.378 0.000 0.987 386 Q CA 0.358 55.961 55.803 -0.333 0.000 0.896 386 Q CB 1.006 29.358 28.738 -0.644 0.000 1.241 386 Q HN 0.187 nan 8.270 nan 0.000 0.485 387 E N 1.809 121.750 120.200 -0.431 0.000 2.331 387 E HA 0.234 4.587 4.350 0.006 0.000 0.243 387 E C -1.163 175.277 176.600 -0.267 0.000 0.925 387 E CA -0.263 55.970 56.400 -0.278 0.000 0.760 387 E CB 0.805 30.407 29.700 -0.163 0.000 1.254 387 E HN 0.376 nan 8.360 nan 0.000 0.419 388 Y N 1.152 121.476 120.300 0.039 0.000 2.313 388 Y HA 0.118 4.672 4.550 0.005 0.000 0.332 388 Y C 1.217 177.212 175.900 0.159 0.000 1.071 388 Y CA -0.627 57.548 58.100 0.125 0.000 1.169 388 Y CB 1.057 39.638 38.460 0.201 0.000 1.192 388 Y HN 0.333 nan 8.280 nan 0.000 0.487 389 S N 1.579 117.480 115.700 0.335 0.000 2.614 389 S HA 0.154 4.627 4.470 0.006 0.000 0.265 389 S C 0.839 175.713 174.600 0.457 0.000 1.303 389 S CA -0.570 57.832 58.200 0.336 0.000 1.000 389 S CB 0.391 63.755 63.200 0.272 0.000 0.935 389 S HN 0.567 nan 8.310 nan 0.000 0.551 390 F N 1.129 121.293 119.950 0.357 0.000 2.091 390 F HA -0.077 4.453 4.527 0.006 0.000 0.299 390 F C 2.693 178.651 175.800 0.263 0.000 1.103 390 F CA 1.907 60.143 58.000 0.393 0.000 1.228 390 F CB -0.383 38.793 39.000 0.294 0.000 0.984 390 F HN 0.576 nan 8.300 nan 0.000 0.477 391 K N 0.688 121.333 120.400 0.407 0.000 2.074 391 K HA -0.222 4.102 4.320 0.006 0.000 0.209 391 K C 1.889 178.640 176.600 0.252 0.000 1.048 391 K CA 1.867 58.322 56.287 0.281 0.000 0.926 391 K CB -0.420 32.218 32.500 0.231 0.000 0.713 391 K HN 0.424 nan 8.250 nan 0.000 0.444 392 Q N -1.488 118.487 119.800 0.292 0.000 2.245 392 Q HA -0.060 4.283 4.340 0.006 0.000 0.201 392 Q C 1.857 177.999 176.000 0.236 0.000 0.955 392 Q CA 0.748 56.722 55.803 0.286 0.000 0.870 392 Q CB -0.048 28.924 28.738 0.391 0.000 0.945 392 Q HN 0.175 nan 8.270 nan 0.000 0.461 393 F N 1.066 121.026 119.950 0.018 0.000 2.219 393 F HA 0.087 4.617 4.527 0.006 0.000 0.294 393 F C 0.639 176.304 175.800 -0.226 0.000 1.086 393 F CA 0.278 58.164 58.000 -0.190 0.000 1.330 393 F CB 0.185 38.940 39.000 -0.409 0.000 1.047 393 F HN -0.127 nan 8.300 nan 0.000 0.495 394 L N 0.980 122.083 121.223 -0.200 0.000 2.453 394 L HA -0.030 4.313 4.340 0.006 0.000 0.272 394 L C 0.286 176.858 176.870 -0.497 0.000 1.182 394 L CA -0.275 54.245 54.840 -0.533 0.000 0.858 394 L CB -0.426 41.183 42.059 -0.750 0.000 1.120 394 L HN 0.431 nan 8.230 nan 0.000 0.474 395 Y N 0.563 120.840 120.300 -0.039 0.000 4.236 395 Y HA -0.299 4.255 4.550 0.006 0.000 0.220 395 Y C 0.473 176.378 175.900 0.008 0.000 1.115 395 Y CA 0.124 58.239 58.100 0.026 0.000 1.811 395 Y CB -1.975 36.532 38.460 0.078 0.000 1.581 395 Y HN 0.674 nan 8.280 nan 0.000 0.643 396 N N 1.442 120.139 118.700 -0.005 0.000 2.707 396 N HA 0.220 4.963 4.740 0.006 0.000 0.235 396 N C 0.280 175.739 175.510 -0.086 0.000 1.028 396 N CA -0.345 52.696 53.050 -0.015 0.000 0.906 396 N CB 0.287 38.755 38.487 -0.032 0.000 1.131 396 N HN 0.232 nan 8.380 nan 0.000 0.509 397 N N 0.403 119.097 118.700 -0.011 0.000 2.463 397 N HA -0.012 4.732 4.740 0.006 0.000 0.181 397 N C 1.089 176.594 175.510 -0.008 0.000 1.078 397 N CA 0.281 53.336 53.050 0.008 0.000 0.902 397 N CB 0.341 38.945 38.487 0.195 0.000 0.970 397 N HN 0.361 nan 8.380 nan 0.000 0.451 398 S N 1.503 117.194 115.700 -0.015 0.000 2.374 398 S HA -0.086 4.387 4.470 0.006 0.000 0.227 398 S C 2.024 176.634 174.600 0.018 0.000 1.037 398 S CA 0.772 58.965 58.200 -0.012 0.000 1.024 398 S CB -0.209 62.994 63.200 0.005 0.000 0.861 398 S HN 0.335 nan 8.310 nan 0.000 0.456 399 I N 0.876 121.462 120.570 0.027 0.000 2.194 399 I HA -0.219 3.954 4.170 0.006 0.000 0.246 399 I C 2.358 178.666 176.117 0.319 0.000 1.093 399 I CA 0.956 62.342 61.300 0.142 0.000 1.355 399 I CB -0.402 37.564 38.000 -0.056 0.000 1.046 399 I HN 0.239 nan 8.210 nan 0.000 0.413 400 L N 0.784 122.030 121.223 0.039 0.000 2.005 400 L HA -0.157 4.187 4.340 0.006 0.000 0.207 400 L C 2.298 179.111 176.870 -0.095 0.000 1.072 400 L CA 1.826 56.496 54.840 -0.282 0.000 0.744 400 L CB -0.532 41.237 42.059 -0.482 0.000 0.895 400 L HN 0.111 nan 8.230 nan 0.000 0.433 401 L N -0.553 120.606 121.223 -0.107 0.000 2.191 401 L HA -0.187 4.156 4.340 0.006 0.000 0.212 401 L C 2.488 179.348 176.870 -0.017 0.000 1.103 401 L CA 1.183 55.953 54.840 -0.116 0.000 0.769 401 L CB -0.527 41.435 42.059 -0.163 0.000 0.908 401 L HN 0.409 nan 8.230 nan 0.000 0.438 402 E N -0.009 120.197 120.200 0.010 0.000 2.017 402 E HA -0.217 4.136 4.350 0.006 0.000 0.193 402 E C 2.132 178.678 176.600 -0.089 0.000 0.997 402 E CA 1.665 58.026 56.400 -0.065 0.000 0.804 402 E CB -0.036 29.597 29.700 -0.111 0.000 0.757 402 E HN 0.467 nan 8.360 nan 0.000 0.448 403 H N -0.781 118.384 119.070 0.159 0.000 2.520 403 H HA 0.273 4.832 4.556 0.006 0.000 0.279 403 H C 1.036 176.454 175.328 0.151 0.000 0.990 403 H CA 0.712 56.866 56.048 0.177 0.000 1.288 403 H CB 0.374 30.292 29.762 0.259 0.000 1.446 403 H HN 0.312 nan 8.280 nan 0.000 0.538 404 G N 1.005 109.947 108.800 0.237 0.000 2.781 404 G HA2 -0.222 3.741 3.960 0.006 0.000 0.683 404 G HA3 -0.222 3.741 3.960 0.006 0.000 0.683 404 G C 0.564 175.511 174.900 0.077 0.000 1.390 404 G CA -0.212 44.969 45.100 0.135 0.000 0.850 404 G HN 0.139 nan 8.290 nan 0.000 0.557 405 L N 0.690 121.887 121.223 -0.044 0.000 2.046 405 L HA -0.101 4.242 4.340 0.006 0.000 0.208 405 L C 3.230 180.097 176.870 -0.006 0.000 1.077 405 L CA 3.032 57.808 54.840 -0.107 0.000 0.747 405 L CB -1.781 40.158 42.059 -0.201 0.000 0.896 405 L HN 0.867 nan 8.230 nan 0.000 0.432 406 T N -0.938 113.615 114.554 -0.002 0.000 2.652 406 T HA -0.271 4.082 4.350 0.006 0.000 0.267 406 T C 1.825 176.549 174.700 0.039 0.000 1.039 406 T CA 1.684 63.788 62.100 0.006 0.000 1.153 406 T CB -0.148 68.724 68.868 0.006 0.000 0.863 406 T HN 0.164 nan 8.240 nan 0.000 0.428 407 Q N 0.015 119.864 119.800 0.082 0.000 2.170 407 Q HA -0.005 4.338 4.340 0.006 0.000 0.203 407 Q C 1.808 177.803 176.000 -0.009 0.000 0.976 407 Q CA 1.383 57.228 55.803 0.069 0.000 0.858 407 Q CB -0.640 28.185 28.738 0.145 0.000 0.907 407 Q HN 0.504 nan 8.270 nan 0.000 0.433 408 F N -1.103 118.733 119.950 -0.190 0.000 2.102 408 F HA -0.173 4.358 4.527 0.006 0.000 0.298 408 F C 2.168 177.774 175.800 -0.323 0.000 1.105 408 F CA 1.127 58.890 58.000 -0.396 0.000 1.239 408 F CB -0.548 38.260 39.000 -0.321 0.000 0.991 408 F HN -0.066 nan 8.300 nan 0.000 0.474 409 V N -0.254 119.684 119.914 0.040 0.000 2.295 409 V HA -0.279 3.845 4.120 0.006 0.000 0.246 409 V C 2.155 178.277 176.094 0.047 0.000 1.049 409 V CA 2.037 64.363 62.300 0.044 0.000 1.024 409 V CB -0.610 31.207 31.823 -0.009 0.000 0.648 409 V HN 0.302 nan 8.190 nan 0.000 0.447 410 E N -0.005 120.206 120.200 0.018 0.000 2.058 410 E HA -0.200 4.153 4.350 0.006 0.000 0.194 410 E C 2.440 179.056 176.600 0.026 0.000 0.997 410 E CA 1.717 58.139 56.400 0.037 0.000 0.801 410 E CB -0.231 29.483 29.700 0.024 0.000 0.746 410 E HN 0.485 nan 8.360 nan 0.000 0.450 411 S N 0.038 115.696 115.700 -0.070 0.000 2.368 411 S HA -0.080 4.393 4.470 0.006 0.000 0.224 411 S C 1.518 176.163 174.600 0.074 0.000 1.029 411 S CA 0.758 58.895 58.200 -0.104 0.000 0.988 411 S CB -0.129 62.857 63.200 -0.358 0.000 0.838 411 S HN 0.178 nan 8.310 nan 0.000 0.462 412 F N 1.969 121.936 119.950 0.028 0.000 2.456 412 F HA 0.072 4.602 4.527 0.006 0.000 0.298 412 F C 2.546 178.421 175.800 0.125 0.000 1.104 412 F CA 0.371 58.434 58.000 0.105 0.000 1.435 412 F CB -1.468 37.650 39.000 0.197 0.000 1.078 412 F HN 0.132 nan 8.300 nan 0.000 0.546 413 T N -0.661 114.059 114.554 0.277 0.000 2.904 413 T HA -0.098 4.255 4.350 0.006 0.000 0.267 413 T C 2.155 176.961 174.700 0.177 0.000 1.059 413 T CA 0.976 63.199 62.100 0.205 0.000 1.137 413 T CB -0.023 68.948 68.868 0.172 0.000 0.879 413 T HN 0.196 nan 8.240 nan 0.000 0.467 414 R N 0.567 121.158 120.500 0.152 0.000 2.173 414 R HA 0.157 4.500 4.340 0.006 0.000 0.208 414 R C 1.288 177.646 176.300 0.096 0.000 1.035 414 R CA 0.162 56.325 56.100 0.105 0.000 1.004 414 R CB 0.167 30.507 30.300 0.067 0.000 0.917 414 R HN 0.388 nan 8.270 nan 0.000 0.462 415 Q N 1.742 121.619 119.800 0.130 0.000 2.294 415 Q HA 0.190 4.533 4.340 0.006 0.000 0.257 415 Q C -0.657 175.393 176.000 0.085 0.000 0.955 415 Q CA -0.193 55.664 55.803 0.089 0.000 0.936 415 Q CB 0.961 29.762 28.738 0.105 0.000 1.188 415 Q HN 0.144 nan 8.270 nan 0.000 0.420 416 I N 3.333 123.948 120.570 0.075 0.000 2.634 416 I HA 0.318 4.491 4.170 0.006 0.000 0.284 416 I C -0.308 175.913 176.117 0.173 0.000 1.124 416 I CA 0.026 61.396 61.300 0.117 0.000 1.417 416 I CB 0.809 38.893 38.000 0.140 0.000 1.396 416 I HN 0.851 nan 8.210 nan 0.000 0.571 417 A N 5.304 128.215 122.820 0.151 0.000 2.252 417 A HA 0.722 5.045 4.320 0.006 0.000 0.305 417 A C 0.164 177.852 177.584 0.173 0.000 1.097 417 A CA -0.138 51.998 52.037 0.165 0.000 0.849 417 A CB 0.597 19.668 19.000 0.118 0.000 1.142 417 A HN 0.851 nan 8.150 nan 0.000 0.499 418 G N -0.447 108.449 108.800 0.160 0.000 2.476 418 G HA2 0.480 4.443 3.960 0.006 0.000 0.286 418 G HA3 0.480 4.443 3.960 0.006 0.000 0.286 418 G C 0.089 174.909 174.900 -0.132 0.000 1.177 418 G CA -0.630 44.425 45.100 -0.075 0.000 0.870 418 G HN 0.868 nan 8.290 nan 0.000 0.528 419 R N 0.806 121.168 120.500 -0.231 0.000 2.491 419 R HA 0.247 4.591 4.340 0.006 0.000 0.283 419 R C 0.854 177.077 176.300 -0.130 0.000 1.072 419 R CA -0.483 55.494 56.100 -0.204 0.000 1.048 419 R CB 0.888 31.059 30.300 -0.216 0.000 0.983 419 R HN 0.250 nan 8.270 nan 0.000 0.450 420 V N 3.728 123.570 119.914 -0.120 0.000 2.374 420 V HA 0.063 4.187 4.120 0.006 0.000 0.241 420 V C 1.112 177.190 176.094 -0.027 0.000 1.034 420 V CA 1.542 63.821 62.300 -0.034 0.000 1.037 420 V CB -0.486 31.321 31.823 -0.026 0.000 0.682 420 V HN 0.913 nan 8.190 nan 0.000 0.463 421 A N -0.555 122.253 122.820 -0.021 0.000 2.250 421 A HA 0.532 4.856 4.320 0.006 0.000 0.283 421 A C 1.551 179.095 177.584 -0.066 0.000 1.206 421 A CA 0.549 52.563 52.037 -0.038 0.000 0.840 421 A CB -0.271 18.722 19.000 -0.012 0.000 1.220 421 A HN 1.394 nan 8.150 nan 0.000 0.505 422 G N -2.224 106.537 108.800 -0.064 0.000 2.195 422 G HA2 0.328 4.291 3.960 0.006 0.000 0.246 422 G HA3 0.328 4.291 3.960 0.006 0.000 0.246 422 G C 1.659 176.522 174.900 -0.062 0.000 0.984 422 G CA 0.652 45.711 45.100 -0.068 0.000 0.633 422 G HN 3.051 nan 8.290 nan 0.000 0.525 423 G N -0.608 108.157 108.800 -0.058 0.000 2.758 423 G HA2 0.255 4.218 3.960 0.006 0.000 0.686 423 G HA3 0.255 4.218 3.960 0.006 0.000 0.686 423 G C 0.242 175.118 174.900 -0.040 0.000 1.389 423 G CA 0.378 45.450 45.100 -0.047 0.000 0.845 423 G HN 1.688 nan 8.290 nan 0.000 0.572 424 R N -0.819 119.666 120.500 -0.024 0.000 3.205 424 R HA -0.203 4.141 4.340 0.006 0.000 0.249 424 R C 0.452 176.745 176.300 -0.012 0.000 0.937 424 R CA 1.020 57.112 56.100 -0.014 0.000 0.641 424 R CB -1.213 29.077 30.300 -0.018 0.000 1.114 424 R HN 0.717 nan 8.270 nan 0.000 0.451 425 N N -0.747 117.954 118.700 0.002 0.000 2.193 425 N HA 0.088 4.831 4.740 0.006 0.000 0.236 425 N C -0.942 174.610 175.510 0.069 0.000 1.347 425 N CA 0.007 53.064 53.050 0.011 0.000 0.812 425 N CB 1.197 39.660 38.487 -0.041 0.000 1.297 425 N HN 0.057 nan 8.380 nan 0.000 0.499 426 V N 2.921 122.882 119.914 0.077 0.000 2.455 426 V HA 0.345 4.469 4.120 0.006 0.000 0.273 426 V C -2.026 174.117 176.094 0.082 0.000 1.045 426 V CA -1.343 61.026 62.300 0.114 0.000 0.976 426 V CB 0.970 32.862 31.823 0.115 0.000 0.993 426 V HN 0.082 nan 8.190 nan 0.000 0.475 427 P HA 0.174 nan 4.420 nan 0.000 0.265 427 P C 1.069 178.320 177.300 -0.082 0.000 1.193 427 P CA 0.118 63.226 63.100 0.013 0.000 0.765 427 P CB 0.619 32.326 31.700 0.011 0.000 0.823 428 I N 2.443 122.960 120.570 -0.089 0.000 2.264 428 I HA -0.301 3.872 4.170 0.006 0.000 0.248 428 I C 2.157 178.172 176.117 -0.169 0.000 1.111 428 I CA 1.669 62.913 61.300 -0.093 0.000 1.382 428 I CB -0.557 37.409 38.000 -0.057 0.000 1.060 428 I HN 0.384 nan 8.210 nan 0.000 0.418 429 A N -0.388 122.228 122.820 -0.341 0.000 2.131 429 A HA -0.143 4.181 4.320 0.006 0.000 0.220 429 A C 2.044 179.420 177.584 -0.348 0.000 1.158 429 A CA 1.581 53.336 52.037 -0.470 0.000 0.665 429 A CB -0.362 17.938 19.000 -1.168 0.000 0.795 429 A HN 0.326 nan 8.150 nan 0.000 0.460 430 V N 0.252 120.001 119.914 -0.275 0.000 3.078 430 V HA 0.017 4.141 4.120 0.006 0.000 0.344 430 V C 1.756 177.793 176.094 -0.094 0.000 1.409 430 V CA 0.598 62.809 62.300 -0.148 0.000 1.146 430 V CB -0.091 31.677 31.823 -0.092 0.000 1.126 430 V HN 0.863 nan 8.190 nan 0.000 0.513 431 Q N 0.659 120.416 119.800 -0.070 0.000 2.135 431 Q HA -0.158 4.185 4.340 0.006 0.000 0.204 431 Q C 1.991 177.977 176.000 -0.023 0.000 0.981 431 Q CA 2.118 57.904 55.803 -0.028 0.000 0.856 431 Q CB -0.499 28.227 28.738 -0.020 0.000 0.902 431 Q HN 0.555 nan 8.270 nan 0.000 0.425 432 A N 1.189 123.990 122.820 -0.033 0.000 1.940 432 A HA -0.131 4.193 4.320 0.006 0.000 0.219 432 A C 2.339 179.902 177.584 -0.036 0.000 1.176 432 A CA 1.689 53.710 52.037 -0.026 0.000 0.631 432 A CB -0.752 18.236 19.000 -0.020 0.000 0.814 432 A HN 0.284 nan 8.150 nan 0.000 0.446 433 V N -0.503 119.370 119.914 -0.069 0.000 2.548 433 V HA -0.166 3.958 4.120 0.006 0.000 0.249 433 V C 2.942 179.006 176.094 -0.050 0.000 1.055 433 V CA 1.696 63.935 62.300 -0.102 0.000 1.065 433 V CB -1.116 30.537 31.823 -0.282 0.000 0.681 433 V HN 0.607 nan 8.190 nan 0.000 0.462 434 A N -0.197 122.620 122.820 -0.004 0.000 1.929 434 A HA -0.184 4.139 4.320 0.006 0.000 0.216 434 A C 2.347 179.984 177.584 0.087 0.000 1.176 434 A CA 1.832 53.940 52.037 0.119 0.000 0.628 434 A CB -0.382 18.715 19.000 0.161 0.000 0.816 434 A HN 0.481 nan 8.150 nan 0.000 0.444 435 K N -0.196 120.227 120.400 0.037 0.000 2.057 435 K HA -0.070 4.253 4.320 0.006 0.000 0.206 435 K C 2.168 178.761 176.600 -0.012 0.000 1.050 435 K CA 1.132 57.434 56.287 0.024 0.000 0.935 435 K CB -0.308 32.198 32.500 0.010 0.000 0.715 435 K HN 0.352 nan 8.250 nan 0.000 0.439 436 A N 0.675 123.475 122.820 -0.034 0.000 1.908 436 A HA -0.146 4.177 4.320 0.006 0.000 0.218 436 A C 2.154 179.661 177.584 -0.129 0.000 1.181 436 A CA 2.066 54.068 52.037 -0.058 0.000 0.627 436 A CB -0.636 18.339 19.000 -0.041 0.000 0.818 436 A HN 0.357 nan 8.150 nan 0.000 0.445 437 S N -0.208 115.373 115.700 -0.199 0.000 2.383 437 S HA -0.135 4.339 4.470 0.006 0.000 0.229 437 S C 1.787 176.146 174.600 -0.401 0.000 1.030 437 S CA 1.556 59.457 58.200 -0.499 0.000 1.002 437 S CB -0.477 62.146 63.200 -0.962 0.000 0.829 437 S HN 0.563 nan 8.310 nan 0.000 0.467 438 I N 1.478 121.965 120.570 -0.138 0.000 2.193 438 I HA -0.161 4.013 4.170 0.006 0.000 0.240 438 I C 2.017 178.096 176.117 -0.065 0.000 1.084 438 I CA 1.139 62.434 61.300 -0.009 0.000 1.365 438 I CB -0.421 37.635 38.000 0.093 0.000 1.064 438 I HN 0.165 nan 8.210 nan 0.000 0.410 439 D N 0.559 120.922 120.400 -0.061 0.000 2.117 439 D HA -0.186 4.457 4.640 0.006 0.000 0.198 439 D C 2.213 178.462 176.300 -0.086 0.000 0.982 439 D CA 1.257 55.227 54.000 -0.050 0.000 0.828 439 D CB -0.242 40.539 40.800 -0.031 0.000 0.967 439 D HN 0.421 nan 8.370 nan 0.000 0.464 440 Q N 0.132 119.851 119.800 -0.134 0.000 2.230 440 Q HA -0.001 4.342 4.340 0.006 0.000 0.202 440 Q C 2.222 178.059 176.000 -0.273 0.000 0.963 440 Q CA 0.530 56.241 55.803 -0.152 0.000 0.866 440 Q CB 0.166 28.824 28.738 -0.135 0.000 0.931 440 Q HN 0.065 nan 8.270 nan 0.000 0.452 441 S N 0.662 116.122 115.700 -0.400 0.000 2.359 441 S HA -0.161 4.312 4.470 0.006 0.000 0.224 441 S C 1.771 176.155 174.600 -0.360 0.000 1.035 441 S CA 1.206 58.998 58.200 -0.680 0.000 1.018 441 S CB -0.078 62.786 63.200 -0.559 0.000 0.876 441 S HN 0.345 nan 8.310 nan 0.000 0.448 442 R N 0.922 121.334 120.500 -0.146 0.000 2.066 442 R HA -0.008 4.335 4.340 0.006 0.000 0.232 442 R C 2.439 178.735 176.300 -0.006 0.000 1.131 442 R CA 1.184 57.270 56.100 -0.023 0.000 0.955 442 R CB -0.324 29.980 30.300 0.006 0.000 0.851 442 R HN 0.477 nan 8.270 nan 0.000 0.432 443 E N 0.868 121.052 120.200 -0.027 0.000 2.171 443 E HA -0.197 4.157 4.350 0.006 0.000 0.197 443 E C 1.554 178.173 176.600 0.032 0.000 0.997 443 E CA 1.235 57.640 56.400 0.008 0.000 0.810 443 E CB 0.088 29.789 29.700 0.002 0.000 0.738 443 E HN 0.299 nan 8.360 nan 0.000 0.467 444 M N 0.026 119.625 119.600 -0.001 0.000 2.561 444 M HA 0.035 4.518 4.480 0.006 0.000 0.238 444 M C -0.289 176.115 176.300 0.174 0.000 1.131 444 M CA 0.203 55.549 55.300 0.077 0.000 1.046 444 M CB 0.622 33.255 32.600 0.056 0.000 1.532 444 M HN -0.162 nan 8.290 nan 0.000 0.497 445 K N -0.128 120.355 120.400 0.139 0.000 3.150 445 K HA -0.184 4.140 4.320 0.006 0.000 0.267 445 K C -1.190 175.574 176.600 0.272 0.000 1.028 445 K CA 0.611 56.994 56.287 0.160 0.000 0.753 445 K CB -2.650 29.915 32.500 0.108 0.000 1.288 445 K HN 0.287 nan 8.250 nan 0.000 0.473 446 Y N 1.244 121.594 120.300 0.085 0.000 2.702 446 Y HA -0.044 4.509 4.550 0.005 0.000 0.336 446 Y C 1.886 177.874 175.900 0.146 0.000 1.235 446 Y CA 0.078 58.277 58.100 0.165 0.000 1.492 446 Y CB 0.421 38.988 38.460 0.177 0.000 1.308 446 Y HN 0.188 nan 8.280 nan 0.000 0.589 447 Q N 0.913 120.840 119.800 0.211 0.000 2.526 447 Q HA 0.233 4.577 4.340 0.006 0.000 0.207 447 Q C 0.313 176.430 176.000 0.195 0.000 1.078 447 Q CA -0.345 55.492 55.803 0.056 0.000 1.041 447 Q CB 0.424 29.028 28.738 -0.224 0.000 1.228 447 Q HN 0.791 nan 8.270 nan 0.000 0.603 448 S N -0.247 115.513 115.700 0.098 0.000 2.608 448 S HA 0.018 4.491 4.470 0.006 0.000 0.261 448 S C 0.964 175.681 174.600 0.195 0.000 1.314 448 S CA -0.631 57.647 58.200 0.129 0.000 0.992 448 S CB 0.479 63.709 63.200 0.049 0.000 0.935 448 S HN 0.639 nan 8.310 nan 0.000 0.564 449 L N 1.297 122.608 121.223 0.147 0.000 1.997 449 L HA -0.177 4.166 4.340 0.006 0.000 0.216 449 L C 1.981 178.923 176.870 0.120 0.000 1.074 449 L CA 2.122 57.048 54.840 0.145 0.000 0.763 449 L CB -1.431 40.667 42.059 0.065 0.000 0.890 449 L HN 0.750 nan 8.230 nan 0.000 0.434 450 N N -0.432 118.294 118.700 0.043 0.000 2.244 450 N HA -0.142 4.601 4.740 0.006 0.000 0.183 450 N C 1.725 177.223 175.510 -0.020 0.000 1.016 450 N CA 1.091 54.137 53.050 -0.007 0.000 0.866 450 N CB -0.208 38.256 38.487 -0.038 0.000 0.980 450 N HN 0.462 nan 8.380 nan 0.000 0.430 451 E N 0.091 120.269 120.200 -0.037 0.000 2.077 451 E HA -0.137 4.216 4.350 0.006 0.000 0.193 451 E C 1.691 178.217 176.600 -0.123 0.000 0.989 451 E CA 0.906 57.230 56.400 -0.126 0.000 0.800 451 E CB -0.419 29.150 29.700 -0.217 0.000 0.746 451 E HN 0.490 nan 8.360 nan 0.000 0.452 452 Y N 0.774 121.086 120.300 0.020 0.000 2.314 452 Y HA -0.032 4.521 4.550 0.005 0.000 0.293 452 Y C 2.522 178.494 175.900 0.120 0.000 1.129 452 Y CA 0.934 59.088 58.100 0.089 0.000 1.201 452 Y CB -0.051 38.444 38.460 0.059 0.000 0.999 452 Y HN -0.039 nan 8.280 nan 0.000 0.541 453 R N 0.045 120.641 120.500 0.160 0.000 2.073 453 R HA -0.175 4.169 4.340 0.006 0.000 0.234 453 R C 2.152 178.483 176.300 0.052 0.000 1.134 453 R CA 1.652 57.789 56.100 0.061 0.000 0.952 453 R CB -0.225 30.029 30.300 -0.077 0.000 0.850 453 R HN 0.187 nan 8.270 nan 0.000 0.433 454 K N 0.058 120.458 120.400 -0.001 0.000 2.103 454 K HA -0.195 4.129 4.320 0.006 0.000 0.207 454 K C 2.079 178.659 176.600 -0.033 0.000 1.048 454 K CA 1.399 57.661 56.287 -0.040 0.000 0.930 454 K CB -0.061 32.390 32.500 -0.082 0.000 0.716 454 K HN -0.102 nan 8.250 nan 0.000 0.444 455 R N 0.146 120.640 120.500 -0.010 0.000 2.148 455 R HA -0.058 4.285 4.340 0.006 0.000 0.227 455 R C 0.505 176.670 176.300 -0.226 0.000 1.103 455 R CA 1.436 57.471 56.100 -0.107 0.000 0.983 455 R CB -0.207 30.039 30.300 -0.090 0.000 0.874 455 R HN 0.107 nan 8.270 nan 0.000 0.451 456 F N 0.572 120.486 119.950 -0.060 0.000 2.925 456 F HA 0.308 4.838 4.527 0.005 0.000 0.302 456 F C 0.358 176.124 175.800 -0.057 0.000 1.189 456 F CA -0.185 57.761 58.000 -0.091 0.000 1.346 456 F CB 0.335 39.277 39.000 -0.097 0.000 0.954 456 F HN -0.085 nan 8.300 nan 0.000 0.506 457 S N 0.668 116.402 115.700 0.057 0.000 3.635 457 S HA -0.188 4.285 4.470 0.006 0.000 0.328 457 S C -0.036 174.593 174.600 0.048 0.000 1.135 457 S CA 0.278 58.515 58.200 0.062 0.000 0.942 457 S CB -1.846 61.431 63.200 0.127 0.000 0.930 457 S HN 0.320 nan 8.310 nan 0.000 0.512 458 L N 0.412 121.648 121.223 0.022 0.000 2.334 458 L HA 0.503 4.847 4.340 0.006 0.000 0.272 458 L C 0.581 177.399 176.870 -0.087 0.000 1.020 458 L CA -0.756 54.064 54.840 -0.034 0.000 0.812 458 L CB 1.081 43.104 42.059 -0.059 0.000 1.264 458 L HN -0.014 nan 8.230 nan 0.000 0.439 459 K N 2.262 122.587 120.400 -0.126 0.000 2.297 459 K HA 0.295 4.619 4.320 0.006 0.000 0.286 459 K C -2.308 174.153 176.600 -0.233 0.000 1.053 459 K CA -1.618 54.587 56.287 -0.135 0.000 0.940 459 K CB 1.044 33.483 32.500 -0.101 0.000 1.019 459 K HN 0.201 nan 8.250 nan 0.000 0.475 460 P HA -0.086 nan 4.420 nan 0.000 0.267 460 P C -0.974 176.218 177.300 -0.180 0.000 1.200 460 P CA 0.360 63.352 63.100 -0.179 0.000 0.772 460 P CB 0.260 31.902 31.700 -0.096 0.000 0.855 461 Y N 0.293 120.546 120.300 -0.078 0.000 2.359 461 Y HA 0.092 4.645 4.550 0.005 0.000 0.330 461 Y C 2.101 177.928 175.900 -0.122 0.000 1.143 461 Y CA 0.184 58.225 58.100 -0.099 0.000 1.318 461 Y CB 0.605 38.986 38.460 -0.132 0.000 1.234 461 Y HN 0.399 nan 8.280 nan 0.000 0.522 462 T N -2.445 112.163 114.554 0.090 0.000 3.044 462 T HA 0.166 4.519 4.350 0.006 0.000 0.250 462 T C 0.243 174.929 174.700 -0.024 0.000 1.081 462 T CA 0.378 62.486 62.100 0.012 0.000 1.040 462 T CB -0.015 68.866 68.868 0.022 0.000 0.962 462 T HN 0.500 nan 8.240 nan 0.000 0.506 463 S N -1.033 114.641 115.700 -0.044 0.000 2.596 463 S HA 0.587 5.060 4.470 0.006 0.000 0.270 463 S C -0.103 174.398 174.600 -0.165 0.000 1.155 463 S CA -0.936 57.218 58.200 -0.076 0.000 0.827 463 S CB 0.369 63.582 63.200 0.022 0.000 1.130 463 S HN -0.056 nan 8.310 nan 0.000 0.467 464 F N 1.073 120.996 119.950 -0.045 0.000 2.216 464 F HA 0.047 4.576 4.527 0.002 0.000 0.300 464 F C 2.513 178.239 175.800 -0.123 0.000 1.085 464 F CA 1.528 59.474 58.000 -0.090 0.000 1.326 464 F CB -0.263 38.708 39.000 -0.049 0.000 1.027 464 F HN 0.695 nan 8.300 nan 0.000 0.497 465 E N -0.213 120.044 120.200 0.094 0.000 2.268 465 E HA -0.210 4.144 4.350 0.006 0.000 0.195 465 E C 1.994 178.562 176.600 -0.053 0.000 0.995 465 E CA 0.761 57.173 56.400 0.019 0.000 0.836 465 E CB -0.176 29.542 29.700 0.031 0.000 0.763 465 E HN 0.508 nan 8.360 nan 0.000 0.491 466 E N 0.611 120.759 120.200 -0.088 0.000 2.216 466 E HA -0.144 4.209 4.350 0.006 0.000 0.192 466 E C 2.047 178.413 176.600 -0.391 0.000 0.988 466 E CA 0.199 56.531 56.400 -0.114 0.000 0.834 466 E CB 0.192 29.904 29.700 0.018 0.000 0.772 466 E HN 0.115 nan 8.360 nan 0.000 0.479 467 L N 0.682 121.546 121.223 -0.598 0.000 2.044 467 L HA -0.093 4.250 4.340 0.006 0.000 0.205 467 L C 2.445 179.059 176.870 -0.426 0.000 1.075 467 L CA 2.545 56.828 54.840 -0.928 0.000 0.747 467 L CB -0.793 40.859 42.059 -0.678 0.000 0.903 467 L HN 0.178 nan 8.230 nan 0.000 0.435 468 T N -4.060 110.365 114.554 -0.215 0.000 3.035 468 T HA 0.250 4.603 4.350 0.006 0.000 0.259 468 T C 1.595 176.242 174.700 -0.089 0.000 1.078 468 T CA 0.488 62.518 62.100 -0.117 0.000 1.132 468 T CB -0.370 68.464 68.868 -0.057 0.000 0.900 468 T HN 0.724 nan 8.240 nan 0.000 0.480 469 G N 1.788 110.537 108.800 -0.084 0.000 2.155 469 G HA2 -0.198 3.765 3.960 0.006 0.000 0.257 469 G HA3 -0.198 3.765 3.960 0.006 0.000 0.257 469 G C -0.130 174.751 174.900 -0.031 0.000 0.983 469 G CA 0.735 45.806 45.100 -0.048 0.000 0.676 469 G HN 1.001 nan 8.290 nan 0.000 0.528 470 E N -2.092 118.090 120.200 -0.030 0.000 2.437 470 E HA 0.817 5.170 4.350 0.006 0.000 0.253 470 E C 0.848 177.440 176.600 -0.012 0.000 0.905 470 E CA -0.806 55.582 56.400 -0.020 0.000 0.871 470 E CB 0.293 29.978 29.700 -0.024 0.000 1.649 470 E HN -0.001 nan 8.360 nan 0.000 0.422 471 K N -0.423 119.971 120.400 -0.011 0.000 2.344 471 K HA 0.126 4.449 4.320 0.006 0.000 0.200 471 K C 1.702 178.294 176.600 -0.013 0.000 1.132 471 K CA 0.448 56.731 56.287 -0.007 0.000 0.935 471 K CB 0.343 32.840 32.500 -0.006 0.000 1.089 471 K HN 0.592 nan 8.250 nan 0.000 0.496 472 E N 1.669 121.858 120.200 -0.018 0.000 2.028 472 E HA -0.096 4.257 4.350 0.006 0.000 0.191 472 E C 2.052 178.634 176.600 -0.030 0.000 0.988 472 E CA 1.118 57.505 56.400 -0.023 0.000 0.799 472 E CB 0.091 29.778 29.700 -0.021 0.000 0.755 472 E HN 0.125 nan 8.360 nan 0.000 0.447 473 M N 0.257 119.841 119.600 -0.027 0.000 2.175 473 M HA -0.109 4.374 4.480 0.006 0.000 0.264 473 M C 2.442 178.720 176.300 -0.037 0.000 1.063 473 M CA 1.255 56.538 55.300 -0.029 0.000 1.119 473 M CB -0.164 32.423 32.600 -0.022 0.000 1.377 473 M HN 0.220 nan 8.290 nan 0.000 0.415 474 A N 0.745 123.553 122.820 -0.021 0.000 1.892 474 A HA -0.161 4.162 4.320 0.006 0.000 0.218 474 A C 2.383 179.905 177.584 -0.105 0.000 1.188 474 A CA 2.230 54.264 52.037 -0.004 0.000 0.631 474 A CB -1.050 17.979 19.000 0.049 0.000 0.822 474 A HN 0.508 nan 8.150 nan 0.000 0.447 475 A N -0.734 122.041 122.820 -0.075 0.000 1.933 475 A HA -0.145 4.178 4.320 0.006 0.000 0.218 475 A C 1.963 179.467 177.584 -0.133 0.000 1.175 475 A CA 1.677 53.659 52.037 -0.092 0.000 0.628 475 A CB -0.414 18.556 19.000 -0.051 0.000 0.814 475 A HN 0.512 nan 8.150 nan 0.000 0.444 476 E N 0.025 120.158 120.200 -0.112 0.000 2.072 476 E HA -0.128 4.226 4.350 0.006 0.000 0.191 476 E C 2.084 178.589 176.600 -0.158 0.000 0.985 476 E CA 0.956 57.292 56.400 -0.106 0.000 0.801 476 E CB -0.417 29.244 29.700 -0.064 0.000 0.750 476 E HN 0.671 nan 8.360 nan 0.000 0.452 477 L N 0.831 121.924 121.223 -0.217 0.000 2.056 477 L HA -0.182 4.161 4.340 0.006 0.000 0.207 477 L C 2.684 179.123 176.870 -0.719 0.000 1.078 477 L CA 1.315 55.976 54.840 -0.298 0.000 0.749 477 L CB -0.365 41.542 42.059 -0.253 0.000 0.901 477 L HN 0.081 nan 8.230 nan 0.000 0.433 478 K N 0.717 120.536 120.400 -0.968 0.000 2.032 478 K HA -0.194 4.130 4.320 0.006 0.000 0.209 478 K C 2.052 178.470 176.600 -0.303 0.000 1.048 478 K CA 1.577 57.376 56.287 -0.814 0.000 0.927 478 K CB -0.217 32.059 32.500 -0.375 0.000 0.712 478 K HN 0.217 nan 8.250 nan 0.000 0.441 479 A N 0.645 123.338 122.820 -0.212 0.000 2.070 479 A HA -0.064 4.259 4.320 0.006 0.000 0.220 479 A C 2.037 179.553 177.584 -0.112 0.000 1.159 479 A CA 1.270 53.236 52.037 -0.118 0.000 0.656 479 A CB -0.415 18.529 19.000 -0.095 0.000 0.800 479 A HN 0.374 nan 8.150 nan 0.000 0.453 480 L N -3.280 117.854 121.223 -0.148 0.000 2.221 480 L HA 0.028 4.371 4.340 0.006 0.000 0.202 480 L C 2.170 178.912 176.870 -0.213 0.000 1.074 480 L CA 0.927 55.647 54.840 -0.200 0.000 0.795 480 L CB -0.145 41.754 42.059 -0.266 0.000 0.960 480 L HN 0.466 nan 8.230 nan 0.000 0.458 481 Y N -1.630 118.635 120.300 -0.059 0.000 2.507 481 Y HA 0.053 4.605 4.550 0.004 0.000 0.263 481 Y C 1.949 177.924 175.900 0.126 0.000 1.093 481 Y CA 0.481 58.628 58.100 0.079 0.000 1.285 481 Y CB 0.708 39.312 38.460 0.240 0.000 1.115 481 Y HN 0.065 nan 8.280 nan 0.000 0.533 482 S N -0.867 114.962 115.700 0.216 0.000 1.619 482 S HA -0.280 4.193 4.470 0.006 0.000 0.235 482 S C -0.042 174.753 174.600 0.326 0.000 0.805 482 S CA 1.808 60.125 58.200 0.195 0.000 1.403 482 S CB -1.187 62.090 63.200 0.129 0.000 1.782 482 S HN 0.526 nan 8.310 nan 0.000 0.524 483 D N 0.374 120.985 120.400 0.352 0.000 2.391 483 D HA 0.578 5.221 4.640 0.006 0.000 0.245 483 D C 0.622 177.007 176.300 0.143 0.000 1.069 483 D CA -0.510 53.632 54.000 0.237 0.000 0.831 483 D CB 1.215 42.094 40.800 0.132 0.000 1.204 483 D HN 0.105 nan 8.370 nan 0.000 0.503 484 I N 2.995 123.452 120.570 -0.188 0.000 2.315 484 I HA -0.203 3.971 4.170 0.006 0.000 0.251 484 I C 1.066 177.007 176.117 -0.292 0.000 1.125 484 I CA 1.531 62.421 61.300 -0.683 0.000 1.392 484 I CB 0.006 37.621 38.000 -0.641 0.000 1.065 484 I HN 0.373 nan 8.210 nan 0.000 0.424 485 D N -0.521 119.808 120.400 -0.119 0.000 2.378 485 D HA 0.015 4.658 4.640 0.006 0.000 0.227 485 D C 1.823 178.112 176.300 -0.018 0.000 1.012 485 D CA 0.567 54.531 54.000 -0.060 0.000 0.905 485 D CB 0.280 41.061 40.800 -0.031 0.000 0.895 485 D HN 0.284 nan 8.370 nan 0.000 0.532 486 V N 0.321 120.240 119.914 0.009 0.000 3.528 486 V HA 0.125 4.249 4.120 0.006 0.000 0.294 486 V C 0.617 176.725 176.094 0.024 0.000 1.404 486 V CA -0.233 62.116 62.300 0.081 0.000 1.065 486 V CB 0.125 32.057 31.823 0.182 0.000 0.904 486 V HN 0.086 nan 8.190 nan 0.000 0.435 487 M N 1.560 121.067 119.600 -0.156 0.000 2.249 487 M HA 0.145 4.628 4.480 0.006 0.000 0.340 487 M C 0.206 176.388 176.300 -0.197 0.000 1.166 487 M CA 0.551 55.595 55.300 -0.427 0.000 1.115 487 M CB -0.097 32.288 32.600 -0.358 0.000 1.606 487 M HN 0.275 nan 8.290 nan 0.000 0.448 488 E N 3.372 123.452 120.200 -0.199 0.000 2.277 488 E HA 0.137 4.490 4.350 0.006 0.000 0.274 488 E C 0.508 177.146 176.600 0.064 0.000 1.022 488 E CA -0.619 55.810 56.400 0.047 0.000 0.853 488 E CB 1.161 30.955 29.700 0.156 0.000 1.086 488 E HN 0.783 nan 8.360 nan 0.000 0.397 489 L N 3.201 124.512 121.223 0.146 0.000 1.994 489 L HA -0.234 4.109 4.340 0.006 0.000 0.208 489 L C 2.057 178.979 176.870 0.087 0.000 1.071 489 L CA 1.936 56.842 54.840 0.111 0.000 0.745 489 L CB -0.703 41.409 42.059 0.088 0.000 0.892 489 L HN 0.703 nan 8.230 nan 0.000 0.431 490 Y N 1.040 121.350 120.300 0.017 0.000 2.114 490 Y HA -0.098 4.456 4.550 0.006 0.000 0.284 490 Y C -0.600 175.310 175.900 0.016 0.000 1.143 490 Y CA 1.755 59.848 58.100 -0.011 0.000 1.135 490 Y CB -1.853 36.572 38.460 -0.058 0.000 0.980 490 Y HN 0.263 nan 8.280 nan 0.000 0.499 491 P HA -0.112 nan 4.420 nan 0.000 0.217 491 P C 1.421 178.622 177.300 -0.165 0.000 1.150 491 P CA 2.313 65.300 63.100 -0.189 0.000 0.832 491 P CB -0.344 31.380 31.700 0.040 0.000 0.787 492 A N -0.427 122.333 122.820 -0.099 0.000 1.933 492 A HA -0.153 4.171 4.320 0.006 0.000 0.218 492 A C 2.225 179.753 177.584 -0.094 0.000 1.175 492 A CA 1.287 53.279 52.037 -0.074 0.000 0.628 492 A CB -1.650 17.331 19.000 -0.031 0.000 0.814 492 A HN 0.113 nan 8.150 nan 0.000 0.444 493 L N -0.628 120.516 121.223 -0.132 0.000 2.012 493 L HA -0.172 4.171 4.340 0.006 0.000 0.210 493 L C 2.304 179.084 176.870 -0.149 0.000 1.073 493 L CA 1.178 55.939 54.840 -0.131 0.000 0.748 493 L CB -0.437 41.544 42.059 -0.130 0.000 0.891 493 L HN 0.371 nan 8.230 nan 0.000 0.431 494 L N -1.387 119.699 121.223 -0.229 0.000 2.478 494 L HA -0.072 4.272 4.340 0.006 0.000 0.223 494 L C 1.930 178.736 176.870 -0.105 0.000 1.140 494 L CA 0.254 54.994 54.840 -0.166 0.000 0.842 494 L CB 0.042 41.966 42.059 -0.224 0.000 0.953 494 L HN 0.116 nan 8.230 nan 0.000 0.452 495 V N -1.008 118.845 119.914 -0.102 0.000 3.635 495 V HA 0.039 4.162 4.120 0.006 0.000 0.266 495 V C 1.152 177.201 176.094 -0.076 0.000 1.316 495 V CA -0.020 62.236 62.300 -0.074 0.000 1.060 495 V CB 0.623 32.413 31.823 -0.056 0.000 0.820 495 V HN 0.327 nan 8.190 nan 0.000 0.447 496 E N 1.749 121.901 120.200 -0.081 0.000 2.436 496 E HA -0.043 4.311 4.350 0.006 0.000 0.262 496 E C 0.378 176.934 176.600 -0.073 0.000 1.063 496 E CA -0.188 56.159 56.400 -0.088 0.000 0.944 496 E CB 0.416 30.090 29.700 -0.042 0.000 0.950 496 E HN 0.287 nan 8.360 nan 0.000 0.444 497 K N 4.565 124.915 120.400 -0.084 0.000 2.436 497 K HA 0.117 4.441 4.320 0.006 0.000 0.282 497 K C -2.333 174.250 176.600 -0.028 0.000 1.044 497 K CA -1.356 54.899 56.287 -0.054 0.000 1.028 497 K CB 0.420 32.891 32.500 -0.049 0.000 0.919 497 K HN 0.236 nan 8.250 nan 0.000 0.474 498 P HA 0.147 nan 4.420 nan 0.000 0.275 498 P C -0.786 176.498 177.300 -0.027 0.000 1.228 498 P CA -0.433 62.643 63.100 -0.040 0.000 0.786 498 P CB 0.615 32.274 31.700 -0.069 0.000 0.927 499 R N 3.254 123.730 120.500 -0.040 0.000 2.802 499 R HA 0.054 4.397 4.340 0.006 0.000 0.264 499 R C -1.902 174.402 176.300 0.007 0.000 0.996 499 R CA -0.570 55.518 56.100 -0.021 0.000 1.123 499 R CB -1.407 28.818 30.300 -0.126 0.000 0.996 499 R HN 0.403 nan 8.270 nan 0.000 0.444 500 P HA -0.079 nan 4.420 nan 0.000 0.258 500 P C -0.887 176.416 177.300 0.006 0.000 1.187 500 P CA 0.735 63.868 63.100 0.055 0.000 0.767 500 P CB 0.266 32.038 31.700 0.121 0.000 0.770 501 D N -0.042 120.336 120.400 -0.036 0.000 2.983 501 D HA -0.216 4.428 4.640 0.006 0.000 0.225 501 D C 0.309 176.534 176.300 -0.125 0.000 1.174 501 D CA 1.425 55.378 54.000 -0.077 0.000 0.831 501 D CB -1.128 39.630 40.800 -0.070 0.000 1.104 501 D HN 0.479 nan 8.370 nan 0.000 0.421 502 A N -0.050 122.692 122.820 -0.130 0.000 2.281 502 A HA 0.677 5.000 4.320 0.006 0.000 0.329 502 A C 1.278 178.686 177.584 -0.293 0.000 1.122 502 A CA -0.403 51.505 52.037 -0.215 0.000 0.850 502 A CB 1.156 20.056 19.000 -0.167 0.000 1.207 502 A HN 0.129 nan 8.150 nan 0.000 0.495 503 I N -0.994 119.280 120.570 -0.494 0.000 2.500 503 I HA 0.127 4.300 4.170 0.006 0.000 0.252 503 I C -0.577 175.243 176.117 -0.495 0.000 1.142 503 I CA 0.693 61.614 61.300 -0.632 0.000 1.451 503 I CB -0.067 37.317 38.000 -1.027 0.000 1.093 503 I HN 0.469 nan 8.210 nan 0.000 0.430 504 F N -0.104 119.672 119.950 -0.290 0.000 2.575 504 F HA 0.635 5.165 4.527 0.005 0.000 0.330 504 F C 0.842 176.529 175.800 -0.189 0.000 1.056 504 F CA -1.341 56.503 58.000 -0.260 0.000 0.964 504 F CB 0.418 39.251 39.000 -0.279 0.000 1.258 504 F HN -0.236 nan 8.300 nan 0.000 0.484 505 G N -0.475 108.372 108.800 0.079 0.000 2.535 505 G HA2 0.262 4.225 3.960 0.006 0.000 0.303 505 G HA3 0.262 4.225 3.960 0.006 0.000 0.303 505 G C 0.614 175.520 174.900 0.010 0.000 1.237 505 G CA -0.337 44.775 45.100 0.020 0.000 0.986 505 G HN 0.747 nan 8.290 nan 0.000 0.494 506 E N -0.936 119.276 120.200 0.020 0.000 2.085 506 E HA -0.172 4.181 4.350 0.006 0.000 0.194 506 E C 2.236 178.826 176.600 -0.016 0.000 0.994 506 E CA 1.826 58.227 56.400 0.003 0.000 0.801 506 E CB -0.183 29.539 29.700 0.036 0.000 0.743 506 E HN 0.463 nan 8.360 nan 0.000 0.453 507 T N 1.074 115.629 114.554 0.001 0.000 2.708 507 T HA -0.207 4.146 4.350 0.006 0.000 0.266 507 T C 1.764 176.399 174.700 -0.109 0.000 1.037 507 T CA 1.604 63.678 62.100 -0.043 0.000 1.146 507 T CB -0.294 68.578 68.868 0.007 0.000 0.865 507 T HN 0.190 nan 8.240 nan 0.000 0.435 508 M N 1.372 120.899 119.600 -0.122 0.000 2.082 508 M HA -0.107 4.376 4.480 0.006 0.000 0.258 508 M C 2.112 178.299 176.300 -0.188 0.000 1.069 508 M CA 1.544 56.713 55.300 -0.219 0.000 1.102 508 M CB -0.691 31.650 32.600 -0.432 0.000 1.336 508 M HN 0.079 nan 8.290 nan 0.000 0.404 509 V N 0.236 120.086 119.914 -0.107 0.000 2.261 509 V HA -0.227 3.896 4.120 0.006 0.000 0.246 509 V C 2.447 178.519 176.094 -0.037 0.000 1.047 509 V CA 1.973 64.260 62.300 -0.023 0.000 1.015 509 V CB -0.981 30.849 31.823 0.012 0.000 0.642 509 V HN 0.442 nan 8.190 nan 0.000 0.446 510 E N -0.004 120.155 120.200 -0.069 0.000 2.152 510 E HA -0.062 4.291 4.350 0.006 0.000 0.192 510 E C 2.209 178.668 176.600 -0.234 0.000 0.983 510 E CA 0.850 57.205 56.400 -0.074 0.000 0.818 510 E CB -0.183 29.500 29.700 -0.029 0.000 0.758 510 E HN 0.470 nan 8.360 nan 0.000 0.467 511 L N -0.367 120.604 121.223 -0.420 0.000 2.131 511 L HA 0.006 4.349 4.340 0.006 0.000 0.206 511 L C 2.336 179.006 176.870 -0.333 0.000 1.087 511 L CA 1.389 55.752 54.840 -0.794 0.000 0.767 511 L CB -0.897 40.766 42.059 -0.660 0.000 0.917 511 L HN 0.164 nan 8.230 nan 0.000 0.441 512 G N -0.304 108.453 108.800 -0.072 0.000 2.396 512 G HA2 -0.116 3.847 3.960 0.006 0.000 0.214 512 G HA3 -0.116 3.847 3.960 0.006 0.000 0.214 512 G C 1.812 176.794 174.900 0.136 0.000 1.166 512 G CA 0.723 45.930 45.100 0.178 0.000 0.793 512 G HN 0.411 nan 8.290 nan 0.000 0.533 513 A N 1.729 124.582 122.820 0.055 0.000 1.883 513 A HA 0.040 4.363 4.320 0.006 0.000 0.217 513 A C 0.757 178.343 177.584 0.003 0.000 1.186 513 A CA 2.057 54.139 52.037 0.076 0.000 0.624 513 A CB -1.166 17.877 19.000 0.071 0.000 0.822 513 A HN 0.383 nan 8.150 nan 0.000 0.444 514 P HA -0.097 nan 4.420 nan 0.000 0.215 514 P C 1.215 178.381 177.300 -0.223 0.000 1.157 514 P CA 1.004 63.996 63.100 -0.180 0.000 0.863 514 P CB -0.227 31.314 31.700 -0.265 0.000 0.787 515 F N -0.413 119.365 119.950 -0.287 0.000 2.134 515 F HA -0.174 4.357 4.527 0.005 0.000 0.299 515 F C 2.746 178.160 175.800 -0.645 0.000 1.097 515 F CA 1.334 58.934 58.000 -0.667 0.000 1.264 515 F CB -0.834 37.280 39.000 -1.477 0.000 1.001 515 F HN -0.036 nan 8.300 nan 0.000 0.479 516 S N 0.647 116.239 115.700 -0.181 0.000 2.355 516 S HA -0.142 4.331 4.470 0.006 0.000 0.222 516 S C 1.991 176.693 174.600 0.169 0.000 1.031 516 S CA 1.132 59.455 58.200 0.206 0.000 0.993 516 S CB -0.461 63.013 63.200 0.456 0.000 0.859 516 S HN 0.309 nan 8.310 nan 0.000 0.453 517 L N 0.887 122.182 121.223 0.120 0.000 2.141 517 L HA 0.012 4.355 4.340 0.006 0.000 0.209 517 L C 2.882 179.839 176.870 0.144 0.000 1.094 517 L CA 0.967 55.883 54.840 0.126 0.000 0.763 517 L CB -0.406 41.711 42.059 0.096 0.000 0.908 517 L HN 0.223 nan 8.230 nan 0.000 0.437 518 K N 0.497 120.964 120.400 0.111 0.000 2.097 518 K HA -0.094 4.230 4.320 0.006 0.000 0.205 518 K C 1.995 178.667 176.600 0.120 0.000 1.050 518 K CA 1.449 57.821 56.287 0.142 0.000 0.938 518 K CB -0.383 32.140 32.500 0.039 0.000 0.718 518 K HN 0.366 nan 8.250 nan 0.000 0.442 519 G N 0.663 109.495 108.800 0.052 0.000 2.421 519 G HA2 -0.144 3.819 3.960 0.006 0.000 0.217 519 G HA3 -0.144 3.819 3.960 0.006 0.000 0.217 519 G C 1.449 176.399 174.900 0.083 0.000 1.143 519 G CA 0.073 45.174 45.100 0.002 0.000 0.784 519 G HN 0.100 nan 8.290 nan 0.000 0.541 520 L N 0.389 121.695 121.223 0.138 0.000 2.023 520 L HA 0.181 4.524 4.340 0.006 0.000 0.205 520 L C 2.785 179.758 176.870 0.171 0.000 1.073 520 L CA 1.246 56.171 54.840 0.142 0.000 0.745 520 L CB -0.760 41.374 42.059 0.125 0.000 0.900 520 L HN 0.150 nan 8.230 nan 0.000 0.435 521 M N -1.174 118.556 119.600 0.215 0.000 2.447 521 M HA 0.107 4.591 4.480 0.006 0.000 0.264 521 M C 2.089 178.680 176.300 0.485 0.000 1.095 521 M CA 0.887 56.343 55.300 0.260 0.000 1.125 521 M CB -1.616 31.007 32.600 0.039 0.000 1.389 521 M HN 0.266 nan 8.290 nan 0.000 0.459 522 G N 0.738 109.808 108.800 0.450 0.000 2.484 522 G HA2 -0.152 3.811 3.960 0.006 0.000 0.218 522 G HA3 -0.152 3.811 3.960 0.006 0.000 0.218 522 G C 0.893 175.992 174.900 0.333 0.000 1.130 522 G CA -0.076 45.251 45.100 0.380 0.000 0.784 522 G HN 0.442 nan 8.290 nan 0.000 0.543 523 N N 1.266 120.119 118.700 0.255 0.000 2.356 523 N HA -0.004 4.739 4.740 0.006 0.000 0.252 523 N C -1.000 174.603 175.510 0.155 0.000 1.241 523 N CA -0.920 52.234 53.050 0.173 0.000 0.861 523 N CB 1.762 40.346 38.487 0.162 0.000 1.075 523 N HN -0.021 nan 8.380 nan 0.000 0.461 524 P HA -0.157 nan 4.420 nan 0.000 0.218 524 P C 1.471 178.577 177.300 -0.322 0.000 1.148 524 P CA 1.251 64.209 63.100 -0.237 0.000 0.822 524 P CB -0.211 31.207 31.700 -0.470 0.000 0.784 525 I N -3.526 116.993 120.570 -0.085 0.000 3.010 525 I HA -0.113 4.060 4.170 0.006 0.000 0.271 525 I C 1.460 177.860 176.117 0.472 0.000 1.293 525 I CA 1.205 62.674 61.300 0.281 0.000 1.452 525 I CB -1.186 37.166 38.000 0.587 0.000 1.082 525 I HN -0.154 nan 8.210 nan 0.000 0.484 526 C N 1.255 120.699 119.300 0.240 0.000 2.696 526 C HA 0.200 4.663 4.460 0.006 0.000 0.264 526 C C 1.731 176.741 174.990 0.033 0.000 1.288 526 C CA 0.246 59.354 59.018 0.149 0.000 1.717 526 C CB -1.544 26.332 27.740 0.227 0.000 1.893 526 C HN 0.714 nan 8.230 nan 0.000 0.577 527 S N 1.649 117.221 115.700 -0.215 0.000 2.580 527 S HA 0.250 4.724 4.470 0.006 0.000 0.274 527 S C -1.623 172.974 174.600 -0.006 0.000 1.329 527 S CA -0.673 57.175 58.200 -0.586 0.000 1.036 527 S CB 0.962 63.837 63.200 -0.542 0.000 0.919 527 S HN 0.042 nan 8.310 nan 0.000 0.515 528 P HA -0.146 nan 4.420 nan 0.000 0.216 528 P C 1.513 178.777 177.300 -0.060 0.000 1.157 528 P CA 1.253 64.145 63.100 -0.347 0.000 0.880 528 P CB 0.006 31.366 31.700 -0.566 0.000 0.791 529 Q N -2.284 117.503 119.800 -0.021 0.000 2.437 529 Q HA -0.108 4.236 4.340 0.006 0.000 0.210 529 Q C 1.789 177.753 176.000 -0.060 0.000 0.972 529 Q CA 1.300 57.080 55.803 -0.038 0.000 0.903 529 Q CB -0.508 28.205 28.738 -0.043 0.000 0.967 529 Q HN 0.494 nan 8.270 nan 0.000 0.486 530 Y N -2.231 118.073 120.300 0.007 0.000 2.522 530 Y HA 0.014 4.567 4.550 0.006 0.000 0.277 530 Y C 1.091 177.057 175.900 0.109 0.000 1.104 530 Y CA -0.258 57.855 58.100 0.022 0.000 1.260 530 Y CB 0.360 38.876 38.460 0.093 0.000 1.151 530 Y HN 0.172 nan 8.280 nan 0.000 0.539 531 W N 4.894 126.338 121.300 0.240 0.000 1.606 531 W HA 0.234 4.898 4.660 0.006 0.000 0.455 531 W C -0.770 175.870 176.519 0.202 0.000 0.711 531 W CA 0.102 57.674 57.345 0.380 0.000 1.876 531 W CB -0.517 29.254 29.460 0.518 0.000 1.776 531 W HN 0.068 nan 8.180 nan 0.000 0.229 532 K N 2.485 122.662 120.400 -0.371 0.000 2.568 532 K HA 0.355 4.679 4.320 0.006 0.000 0.273 532 K C -2.638 173.443 176.600 -0.866 0.000 0.951 532 K CA -1.471 54.434 56.287 -0.635 0.000 0.854 532 K CB 1.466 33.797 32.500 -0.283 0.000 1.424 532 K HN -0.287 nan 8.250 nan 0.000 0.427 533 P HA -0.305 nan 4.420 nan 0.000 0.217 533 P C 1.071 178.211 177.300 -0.267 0.000 1.158 533 P CA 2.190 64.929 63.100 -0.602 0.000 0.887 533 P CB 0.003 31.527 31.700 -0.293 0.000 0.792 534 S N -2.196 113.358 115.700 -0.243 0.000 2.447 534 S HA -0.110 4.363 4.470 0.006 0.000 0.233 534 S C 1.864 176.343 174.600 -0.201 0.000 1.006 534 S CA 1.611 59.732 58.200 -0.132 0.000 0.957 534 S CB -1.860 61.274 63.200 -0.110 0.000 0.773 534 S HN 0.138 nan 8.310 nan 0.000 0.507 535 T N 1.752 116.041 114.554 -0.441 0.000 2.803 535 T HA 0.008 4.362 4.350 0.006 0.000 0.269 535 T C 0.576 174.949 174.700 -0.546 0.000 1.052 535 T CA 1.216 62.935 62.100 -0.635 0.000 1.136 535 T CB -0.472 67.778 68.868 -1.031 0.000 0.864 535 T HN 0.634 nan 8.240 nan 0.000 0.467 536 F N 0.085 120.048 119.950 0.021 0.000 2.684 536 F HA 0.472 5.003 4.527 0.006 0.000 0.298 536 F C 1.570 177.473 175.800 0.172 0.000 1.120 536 F CA -0.465 57.605 58.000 0.117 0.000 1.332 536 F CB 0.169 39.264 39.000 0.159 0.000 0.986 536 F HN 0.182 nan 8.300 nan 0.000 0.524 537 G N 0.371 109.346 108.800 0.291 0.000 2.137 537 G HA2 0.124 4.087 3.960 0.006 0.000 0.237 537 G HA3 0.124 4.087 3.960 0.006 0.000 0.237 537 G C 0.501 175.583 174.900 0.303 0.000 1.002 537 G CA -0.028 45.289 45.100 0.361 0.000 0.702 537 G HN 1.213 nan 8.290 nan 0.000 0.515 538 G N -1.545 107.372 108.800 0.195 0.000 2.462 538 G HA2 0.263 4.226 3.960 0.006 0.000 0.685 538 G HA3 0.263 4.226 3.960 0.006 0.000 0.685 538 G C 0.304 175.285 174.900 0.136 0.000 1.295 538 G CA 0.463 45.640 45.100 0.128 0.000 0.941 538 G HN 0.450 nan 8.290 nan 0.000 0.554 539 E N -0.683 119.578 120.200 0.101 0.000 2.204 539 E HA -0.066 4.288 4.350 0.006 0.000 0.195 539 E C 2.756 179.446 176.600 0.150 0.000 0.990 539 E CA 1.420 57.909 56.400 0.148 0.000 0.821 539 E CB -0.094 29.665 29.700 0.098 0.000 0.750 539 E HN 0.400 nan 8.360 nan 0.000 0.477 540 V N 0.581 120.555 119.914 0.100 0.000 2.453 540 V HA -0.129 3.994 4.120 0.006 0.000 0.247 540 V C 2.380 178.541 176.094 0.112 0.000 1.048 540 V CA 1.846 64.192 62.300 0.076 0.000 1.049 540 V CB -0.823 31.015 31.823 0.025 0.000 0.672 540 V HN 0.298 nan 8.190 nan 0.000 0.457 541 G N -0.914 107.987 108.800 0.169 0.000 2.402 541 G HA2 -0.264 3.699 3.960 0.006 0.000 0.216 541 G HA3 -0.264 3.699 3.960 0.006 0.000 0.216 541 G C 1.535 176.569 174.900 0.224 0.000 1.162 541 G CA 0.655 45.884 45.100 0.214 0.000 0.777 541 G HN 0.404 nan 8.290 nan 0.000 0.539 542 F N 1.623 121.605 119.950 0.054 0.000 2.134 542 F HA 0.015 4.546 4.527 0.006 0.000 0.299 542 F C 2.510 178.258 175.800 -0.087 0.000 1.097 542 F CA 1.498 59.452 58.000 -0.076 0.000 1.264 542 F CB -0.267 38.718 39.000 -0.026 0.000 1.001 542 F HN 0.166 nan 8.300 nan 0.000 0.479 543 K N 0.316 120.748 120.400 0.053 0.000 2.209 543 K HA -0.147 4.177 4.320 0.006 0.000 0.204 543 K C 2.143 178.726 176.600 -0.028 0.000 1.048 543 K CA 1.442 57.709 56.287 -0.033 0.000 0.940 543 K CB -0.253 32.257 32.500 0.017 0.000 0.729 543 K HN 0.329 nan 8.250 nan 0.000 0.451 544 I N 0.852 121.428 120.570 0.010 0.000 2.226 544 I HA -0.289 3.884 4.170 0.006 0.000 0.245 544 I C 2.128 178.258 176.117 0.022 0.000 1.100 544 I CA 1.130 62.445 61.300 0.025 0.000 1.374 544 I CB -0.180 37.852 38.000 0.055 0.000 1.057 544 I HN 0.184 nan 8.210 nan 0.000 0.413 545 I N 0.723 121.281 120.570 -0.021 0.000 2.163 545 I HA -0.258 3.915 4.170 0.006 0.000 0.240 545 I C 1.942 178.089 176.117 0.050 0.000 1.081 545 I CA 1.301 62.613 61.300 0.020 0.000 1.353 545 I CB -0.497 37.465 38.000 -0.063 0.000 1.054 545 I HN 0.286 nan 8.210 nan 0.000 0.407 546 N N 0.377 119.027 118.700 -0.084 0.000 2.512 546 N HA -0.087 4.657 4.740 0.006 0.000 0.183 546 N C 1.541 177.049 175.510 -0.003 0.000 1.073 546 N CA 1.651 54.666 53.050 -0.059 0.000 0.911 546 N CB -0.098 38.246 38.487 -0.239 0.000 0.964 546 N HN 0.493 nan 8.380 nan 0.000 0.447 547 T N -3.226 111.329 114.554 0.000 0.000 3.044 547 T HA 0.433 4.787 4.350 0.006 0.000 0.260 547 T C 0.727 175.440 174.700 0.022 0.000 1.019 547 T CA -0.446 61.660 62.100 0.010 0.000 0.921 547 T CB 0.310 69.177 68.868 -0.001 0.000 1.053 547 T HN 0.089 nan 8.240 nan 0.000 0.533 548 A N 2.024 124.872 122.820 0.046 0.000 2.520 548 A HA 0.590 4.913 4.320 0.006 0.000 0.235 548 A C 0.645 178.250 177.584 0.035 0.000 1.065 548 A CA 0.020 52.087 52.037 0.050 0.000 0.764 548 A CB -0.064 18.997 19.000 0.101 0.000 1.002 548 A HN 1.056 nan 8.150 nan 0.000 0.502 549 S N 1.009 116.706 115.700 -0.004 0.000 2.596 549 S HA 0.443 4.916 4.470 0.006 0.000 0.270 549 S C 0.423 174.966 174.600 -0.095 0.000 1.155 549 S CA -0.111 58.066 58.200 -0.038 0.000 0.827 549 S CB 0.576 63.741 63.200 -0.058 0.000 1.130 549 S HN 1.120 nan 8.310 nan 0.000 0.467 550 I N 1.298 121.768 120.570 -0.166 0.000 2.264 550 I HA -0.108 4.065 4.170 0.006 0.000 0.248 550 I C 2.433 178.390 176.117 -0.266 0.000 1.111 550 I CA 2.057 63.199 61.300 -0.263 0.000 1.382 550 I CB -0.580 37.052 38.000 -0.614 0.000 1.060 550 I HN 0.925 nan 8.210 nan 0.000 0.418 551 Q N 0.321 119.963 119.800 -0.263 0.000 2.046 551 Q HA -0.174 4.169 4.340 0.006 0.000 0.200 551 Q C 2.466 178.365 176.000 -0.168 0.000 0.975 551 Q CA 2.398 58.055 55.803 -0.245 0.000 0.836 551 Q CB -0.507 28.091 28.738 -0.234 0.000 0.896 551 Q HN 0.655 nan 8.270 nan 0.000 0.428 552 S N -0.445 115.179 115.700 -0.127 0.000 2.399 552 S HA -0.144 4.329 4.470 0.006 0.000 0.231 552 S C 1.856 176.384 174.600 -0.120 0.000 1.022 552 S CA 1.074 59.216 58.200 -0.097 0.000 0.983 552 S CB -0.504 62.659 63.200 -0.061 0.000 0.803 552 S HN 0.422 nan 8.310 nan 0.000 0.480 553 L N 0.933 122.063 121.223 -0.154 0.000 2.017 553 L HA 0.134 4.478 4.340 0.006 0.000 0.208 553 L C 2.119 178.856 176.870 -0.221 0.000 1.073 553 L CA 1.578 56.285 54.840 -0.221 0.000 0.745 553 L CB -0.776 41.095 42.059 -0.313 0.000 0.894 553 L HN 0.263 nan 8.230 nan 0.000 0.432 554 I N -1.010 119.441 120.570 -0.199 0.000 2.394 554 I HA -0.261 3.912 4.170 0.006 0.000 0.251 554 I C 2.734 178.763 176.117 -0.147 0.000 1.136 554 I CA 1.269 62.461 61.300 -0.181 0.000 1.425 554 I CB -0.986 36.909 38.000 -0.175 0.000 1.079 554 I HN 0.505 nan 8.210 nan 0.000 0.425 555 c N 1.041 119.563 118.600 -0.130 0.000 2.486 555 c HA -0.043 4.531 4.570 0.006 0.000 0.279 555 c C 2.519 176.557 174.090 -0.087 0.000 1.302 555 c CA 0.608 56.880 56.329 -0.096 0.000 1.720 555 c CB -1.228 41.232 42.510 -0.082 0.000 2.030 555 c HN 0.502 nan 8.230 nan 0.000 0.490 556 N N 1.518 120.162 118.700 -0.093 0.000 2.512 556 N HA -0.008 4.735 4.740 0.006 0.000 0.183 556 N C 0.870 176.322 175.510 -0.097 0.000 1.073 556 N CA 0.836 53.837 53.050 -0.082 0.000 0.911 556 N CB -0.415 38.027 38.487 -0.074 0.000 0.964 556 N HN 0.664 nan 8.380 nan 0.000 0.447 557 N N -0.577 118.049 118.700 -0.123 0.000 2.129 557 N HA 0.099 4.843 4.740 0.006 0.000 0.222 557 N C -0.693 174.722 175.510 -0.158 0.000 1.303 557 N CA 0.157 53.119 53.050 -0.146 0.000 0.897 557 N CB 2.004 40.382 38.487 -0.180 0.000 1.093 557 N HN -0.106 nan 8.380 nan 0.000 0.501 558 V N 1.856 121.687 119.914 -0.138 0.000 2.487 558 V HA 0.259 4.382 4.120 0.006 0.000 0.298 558 V C 0.362 176.400 176.094 -0.094 0.000 1.028 558 V CA -1.215 61.006 62.300 -0.131 0.000 0.860 558 V CB 2.487 34.232 31.823 -0.130 0.000 0.991 558 V HN -0.016 nan 8.190 nan 0.000 0.427 559 K N 2.818 123.166 120.400 -0.086 0.000 2.511 559 K HA 0.306 4.630 4.320 0.006 0.000 0.280 559 K C 1.225 177.801 176.600 -0.040 0.000 1.008 559 K CA 1.365 57.617 56.287 -0.059 0.000 1.050 559 K CB 0.099 32.569 32.500 -0.050 0.000 0.889 559 K HN 1.218 nan 8.250 nan 0.000 0.484 560 G N 2.821 111.603 108.800 -0.031 0.000 2.195 560 G HA2 -0.331 3.632 3.960 0.006 0.000 0.246 560 G HA3 -0.331 3.632 3.960 0.006 0.000 0.246 560 G C 0.460 175.351 174.900 -0.016 0.000 0.984 560 G CA -0.087 45.003 45.100 -0.017 0.000 0.633 560 G HN 1.246 nan 8.290 nan 0.000 0.525 561 c N 1.088 119.669 118.600 -0.031 0.000 3.744 561 c HA -0.105 4.469 4.570 0.006 0.000 0.290 561 c C -0.135 173.950 174.090 -0.010 0.000 1.385 561 c CA 0.058 56.367 56.329 -0.033 0.000 2.099 561 c CB -1.883 40.610 42.510 -0.028 0.000 1.359 561 c HN 0.839 nan 8.230 nan 0.000 0.629 562 P HA 0.124 nan 4.420 nan 0.000 0.267 562 P C -0.177 177.153 177.300 0.051 0.000 1.201 562 P CA 0.214 63.334 63.100 0.033 0.000 0.775 562 P CB 0.302 32.011 31.700 0.014 0.000 0.854 563 F N 1.974 121.903 119.950 -0.034 0.000 2.467 563 F HA 0.349 4.880 4.527 0.005 0.000 0.362 563 F C 0.280 176.056 175.800 -0.040 0.000 1.090 563 F CA 0.466 58.442 58.000 -0.039 0.000 1.202 563 F CB 0.736 39.717 39.000 -0.032 0.000 1.113 563 F HN 0.236 nan 8.300 nan 0.000 0.541 564 T N 4.154 118.213 114.554 -0.826 0.000 2.916 564 T HA 0.686 5.039 4.350 0.006 0.000 0.292 564 T C -1.216 172.908 174.700 -0.961 0.000 1.064 564 T CA -0.271 61.424 62.100 -0.675 0.000 1.011 564 T CB 1.437 70.105 68.868 -0.334 0.000 1.152 564 T HN 0.910 nan 8.240 nan 0.000 0.510 565 S N 1.001 116.378 115.700 -0.539 0.000 2.611 565 S HA 0.426 4.900 4.470 0.006 0.000 0.270 565 S C -0.746 173.713 174.600 -0.235 0.000 1.131 565 S CA -0.655 57.278 58.200 -0.445 0.000 0.826 565 S CB 0.222 63.278 63.200 -0.240 0.000 1.095 565 S HN 0.639 nan 8.310 nan 0.000 0.461 566 F N 1.865 121.720 119.950 -0.159 0.000 2.797 566 F HA 0.249 4.780 4.527 0.006 0.000 0.302 566 F C 0.981 176.534 175.800 -0.413 0.000 1.130 566 F CA -0.098 57.764 58.000 -0.230 0.000 1.387 566 F CB 0.163 38.959 39.000 -0.340 0.000 1.107 566 F HN 0.728 nan 8.300 nan 0.000 0.577 567 N N -2.111 116.537 118.700 -0.088 0.000 2.357 567 N HA 0.378 5.121 4.740 0.006 0.000 0.284 567 N C -1.352 174.189 175.510 0.051 0.000 1.236 567 N CA -0.796 52.213 53.050 -0.068 0.000 0.774 567 N CB 1.481 39.944 38.487 -0.041 0.000 1.534 567 N HN -0.277 nan 8.380 nan 0.000 0.478 568 V N 1.552 121.497 119.914 0.052 0.000 2.655 568 V HA 0.065 4.188 4.120 0.006 0.000 0.300 568 V C 0.333 176.465 176.094 0.063 0.000 1.044 568 V CA -0.060 62.282 62.300 0.069 0.000 1.095 568 V CB 0.804 32.659 31.823 0.053 0.000 0.952 568 V HN 0.663 nan 8.190 nan 0.000 0.485 569 Q N 0.000 119.839 119.800 0.064 0.000 2.315 569 Q HA 0.000 4.343 4.340 0.006 0.000 0.214 569 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 569 Q CB 0.000 28.717 28.738 -0.034 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481