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 1tgu_1_B DATA FIRST_RESID 3 DATA SEQUENCE NRDPASDQMK HWKEQRAAQK PDVLTTGGGN PVGDKLNSLT VGPRGPLLVQ DATA SEQUENCE DVVFTDEMAH FDRERIPERV VHAKGAGAFG YFEVTHDITR YSKAKVFEHI DATA SEQUENCE GKRTPIAVRF STVAGESGSA DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF DATA SEQUENCE FIRDALLFPS FIHSQKRNPQ THLKDPDMVW DFWSLRPESL HQVSFLFSDR DATA SEQUENCE GIPDGHRHMD GYGSHTFKLV NADGEAVYCK FHYKTDQGIK NLSVEDAARL DATA SEQUENCE AHEDPDYGLR DLFNAIATGN YPSWTLYIQV MTFSEAEIFP FNPFDLTKVW DATA SEQUENCE PHGDYPLIPV GKLVLNRNPV NYFAEVEQLA FDPSNMPPGI EPSPDKMLQG DATA SEQUENCE RLFAYPDTHR HRLGPNYLQI PVNCPYRARV ANYQRDGPMC MMDNQGGAPN DATA SEQUENCE YYPNSFSAPE HQPSALEHRT HFSGDVQRFN SANDDNVTQV RTFYLKVLNE DATA SEQUENCE EQRKRLCENI AGHLKDAQLF IQKKAVKNFS DVHPEYGSRI QALLDKYNE 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.529 175.510 0.032 0.000 1.280 3 N CA 0.000 53.069 53.050 0.032 0.000 0.885 3 N CB 0.000 38.514 38.487 0.044 0.000 1.341 4 R N -0.152 120.368 120.500 0.034 0.000 3.024 4 R HA 0.412 4.752 4.340 0.001 0.000 0.224 4 R C -0.387 175.946 176.300 0.055 0.000 1.490 4 R CA -0.741 55.379 56.100 0.033 0.000 1.057 4 R CB 0.310 30.619 30.300 0.015 0.000 1.723 4 R HN 0.644 nan 8.270 nan 0.000 0.520 5 D N 1.093 121.527 120.400 0.057 0.000 2.354 5 D HA 0.048 4.688 4.640 0.001 0.000 0.247 5 D C -1.758 174.626 176.300 0.141 0.000 1.138 5 D CA -1.656 52.398 54.000 0.088 0.000 0.958 5 D CB 0.553 41.397 40.800 0.073 0.000 1.144 5 D HN 0.108 nan 8.370 nan 0.000 0.458 6 P HA -0.214 nan 4.420 nan 0.000 0.216 6 P C 1.225 178.737 177.300 0.354 0.000 1.150 6 P CA 2.052 65.365 63.100 0.355 0.000 0.843 6 P CB -0.025 31.867 31.700 0.320 0.000 0.787 7 A N 0.445 123.424 122.820 0.264 0.000 1.835 7 A HA -0.158 4.162 4.320 0.001 0.000 0.215 7 A C 2.521 180.080 177.584 -0.042 0.000 1.199 7 A CA 2.410 54.477 52.037 0.051 0.000 0.615 7 A CB -1.599 17.400 19.000 -0.002 0.000 0.838 7 A HN 0.191 nan 8.150 nan 0.000 0.444 8 S N 0.119 115.809 115.700 -0.016 0.000 2.419 8 S HA -0.108 4.362 4.470 0.001 0.000 0.235 8 S C 0.825 175.386 174.600 -0.065 0.000 1.019 8 S CA 1.230 59.405 58.200 -0.043 0.000 0.982 8 S CB -0.305 62.882 63.200 -0.022 0.000 0.789 8 S HN 0.535 nan 8.310 nan 0.000 0.490 9 D N 1.058 121.411 120.400 -0.079 0.000 2.370 9 D HA 0.053 4.694 4.640 0.001 0.000 0.230 9 D C 1.687 177.784 176.300 -0.338 0.000 1.143 9 D CA -0.014 53.833 54.000 -0.255 0.000 0.834 9 D CB -0.053 40.508 40.800 -0.398 0.000 0.944 9 D HN 0.297 nan 8.370 nan 0.000 0.504 10 Q N 0.577 120.323 119.800 -0.090 0.000 1.956 10 Q HA -0.191 4.150 4.340 0.001 0.000 0.208 10 Q C 1.901 177.942 176.000 0.068 0.000 0.998 10 Q CA 1.351 57.176 55.803 0.037 0.000 0.855 10 Q CB -0.114 28.610 28.738 -0.023 0.000 0.928 10 Q HN 0.327 nan 8.270 nan 0.000 0.418 11 M N 0.309 119.918 119.600 0.016 0.000 2.080 11 M HA -0.216 4.264 4.480 0.001 0.000 0.260 11 M C 2.281 178.664 176.300 0.137 0.000 1.068 11 M CA 1.975 57.320 55.300 0.075 0.000 1.109 11 M CB -0.405 32.188 32.600 -0.012 0.000 1.342 11 M HN 0.121 nan 8.290 nan 0.000 0.405 12 K N 0.296 120.691 120.400 -0.008 0.000 2.049 12 K HA -0.271 4.050 4.320 0.001 0.000 0.219 12 K C 1.714 178.347 176.600 0.055 0.000 1.056 12 K CA 2.222 58.483 56.287 -0.043 0.000 0.946 12 K CB -0.457 31.915 32.500 -0.212 0.000 0.723 12 K HN 0.399 nan 8.250 nan 0.000 0.453 13 H N -1.616 117.548 119.070 0.157 0.000 2.387 13 H HA -0.132 4.425 4.556 0.001 0.000 0.299 13 H C 1.860 177.286 175.328 0.164 0.000 1.090 13 H CA 1.485 57.618 56.048 0.142 0.000 1.332 13 H CB -0.739 29.113 29.762 0.151 0.000 1.386 13 H HN 0.513 nan 8.280 nan 0.000 0.516 14 W N 2.511 123.902 121.300 0.152 0.000 2.354 14 W HA -0.212 4.448 4.660 0.001 0.000 0.315 14 W C 2.797 179.358 176.519 0.070 0.000 1.206 14 W CA 2.341 59.747 57.345 0.101 0.000 1.290 14 W CB -0.027 29.477 29.460 0.074 0.000 1.152 14 W HN 0.120 nan 8.180 nan 0.000 0.489 15 K N 0.483 121.127 120.400 0.406 0.000 2.063 15 K HA -0.252 4.069 4.320 0.001 0.000 0.208 15 K C 1.770 178.380 176.600 0.016 0.000 1.048 15 K CA 2.267 58.684 56.287 0.217 0.000 0.928 15 K CB -0.465 32.181 32.500 0.244 0.000 0.713 15 K HN 0.278 nan 8.250 nan 0.000 0.442 16 E N 1.104 121.341 120.200 0.061 0.000 2.005 16 E HA -0.294 4.056 4.350 0.001 0.000 0.198 16 E C 2.199 178.774 176.600 -0.043 0.000 1.010 16 E CA 1.821 58.240 56.400 0.031 0.000 0.825 16 E CB -0.405 29.350 29.700 0.091 0.000 0.769 16 E HN 0.599 nan 8.360 nan 0.000 0.456 17 Q N 1.017 120.784 119.800 -0.056 0.000 2.325 17 Q HA -0.193 4.147 4.340 0.001 0.000 0.211 17 Q C 1.656 177.528 176.000 -0.213 0.000 0.988 17 Q CA 1.168 56.902 55.803 -0.116 0.000 0.887 17 Q CB -0.364 28.309 28.738 -0.108 0.000 0.915 17 Q HN 0.095 nan 8.270 nan 0.000 0.440 18 R N 1.015 121.319 120.500 -0.327 0.000 2.386 18 R HA 0.119 4.459 4.340 0.001 0.000 0.216 18 R C 0.932 177.111 176.300 -0.201 0.000 1.119 18 R CA 0.467 56.331 56.100 -0.394 0.000 1.158 18 R CB -0.657 29.278 30.300 -0.610 0.000 1.057 18 R HN 0.445 nan 8.270 nan 0.000 0.489 19 A N 0.340 123.080 122.820 -0.133 0.000 5.468 19 A HA -0.352 3.968 4.320 0.001 0.000 0.338 19 A C 1.120 178.669 177.584 -0.060 0.000 1.722 19 A CA 1.791 53.781 52.037 -0.078 0.000 0.740 19 A CB -1.525 17.432 19.000 -0.071 0.000 1.424 19 A HN 0.491 nan 8.150 nan 0.000 0.408 20 A N -1.516 121.277 122.820 -0.046 0.000 2.585 20 A HA 0.497 4.817 4.320 0.001 0.000 0.266 20 A C 0.513 178.080 177.584 -0.027 0.000 1.178 20 A CA 0.931 52.951 52.037 -0.028 0.000 0.966 20 A CB -0.004 18.986 19.000 -0.017 0.000 1.170 20 A HN 0.821 nan 8.150 nan 0.000 0.558 21 Q N 1.092 120.867 119.800 -0.041 0.000 2.386 21 Q HA 0.271 4.611 4.340 0.001 0.000 0.282 21 Q C -0.093 175.894 176.000 -0.023 0.000 1.050 21 Q CA 0.399 56.182 55.803 -0.033 0.000 0.918 21 Q CB 0.500 29.210 28.738 -0.046 0.000 1.266 21 Q HN 0.328 nan 8.270 nan 0.000 0.423 22 K N 1.868 122.263 120.400 -0.008 0.000 2.234 22 K HA 0.121 4.442 4.320 0.001 0.000 0.251 22 K C -2.017 174.592 176.600 0.015 0.000 1.011 22 K CA -0.961 55.330 56.287 0.006 0.000 0.889 22 K CB -0.024 32.481 32.500 0.008 0.000 1.011 22 K HN 0.517 nan 8.250 nan 0.000 0.505 23 P HA 0.128 nan 4.420 nan 0.000 0.284 23 P C -1.038 176.294 177.300 0.054 0.000 1.258 23 P CA -0.470 62.670 63.100 0.066 0.000 0.824 23 P CB 0.714 32.468 31.700 0.090 0.000 1.038 24 D N 0.144 120.585 120.400 0.068 0.000 2.335 24 D HA 0.045 4.685 4.640 0.001 0.000 0.236 24 D C 0.054 176.379 176.300 0.041 0.000 1.297 24 D CA 0.174 54.204 54.000 0.050 0.000 0.906 24 D CB 0.510 41.346 40.800 0.059 0.000 1.164 24 D HN 0.052 nan 8.370 nan 0.000 0.469 25 V N 1.739 121.670 119.914 0.028 0.000 2.385 25 V HA 0.016 4.137 4.120 0.001 0.000 0.269 25 V C 0.382 176.487 176.094 0.018 0.000 1.043 25 V CA -0.753 61.560 62.300 0.022 0.000 0.906 25 V CB 1.091 32.923 31.823 0.015 0.000 0.995 25 V HN 0.294 nan 8.190 nan 0.000 0.467 26 L N 7.291 128.524 121.223 0.017 0.000 2.628 26 L HA 0.229 4.569 4.340 0.001 0.000 0.274 26 L C 0.642 177.516 176.870 0.005 0.000 1.209 26 L CA 1.179 56.025 54.840 0.010 0.000 0.930 26 L CB 0.153 42.217 42.059 0.008 0.000 1.183 26 L HN 0.990 nan 8.230 nan 0.000 0.492 27 T N 0.734 115.288 114.554 -0.000 0.000 2.831 27 T HA 0.795 5.145 4.350 0.001 0.000 0.287 27 T C 0.174 174.868 174.700 -0.010 0.000 1.070 27 T CA -0.153 61.945 62.100 -0.002 0.000 1.010 27 T CB 1.296 70.163 68.868 -0.003 0.000 1.264 27 T HN 0.735 nan 8.240 nan 0.000 0.532 28 T N -2.303 112.246 114.554 -0.009 0.000 2.880 28 T HA 0.557 4.908 4.350 0.001 0.000 0.279 28 T C 1.772 176.458 174.700 -0.024 0.000 0.990 28 T CA -0.117 61.974 62.100 -0.014 0.000 0.938 28 T CB 0.425 69.291 68.868 -0.003 0.000 1.206 28 T HN 0.944 nan 8.240 nan 0.000 0.573 29 G N -0.337 108.445 108.800 -0.030 0.000 2.432 29 G HA2 0.039 3.999 3.960 0.001 0.000 0.219 29 G HA3 0.039 3.999 3.960 0.001 0.000 0.219 29 G C 1.487 176.376 174.900 -0.018 0.000 1.135 29 G CA 0.543 45.621 45.100 -0.036 0.000 0.767 29 G HN 1.015 nan 8.290 nan 0.000 0.550 30 G N -0.473 108.321 108.800 -0.009 0.000 2.534 30 G HA2 0.323 4.283 3.960 0.001 0.000 0.217 30 G HA3 0.323 4.283 3.960 0.001 0.000 0.217 30 G C 1.321 176.219 174.900 -0.004 0.000 1.128 30 G CA 0.864 45.962 45.100 -0.004 0.000 0.784 30 G HN 1.479 nan 8.290 nan 0.000 0.542 31 G N -0.401 108.396 108.800 -0.006 0.000 2.195 31 G HA2 -0.247 3.714 3.960 0.001 0.000 0.224 31 G HA3 -0.247 3.714 3.960 0.001 0.000 0.224 31 G C 0.165 175.065 174.900 0.000 0.000 0.990 31 G CA -0.071 45.027 45.100 -0.003 0.000 0.639 31 G HN 0.650 nan 8.290 nan 0.000 0.514 32 N N 2.842 121.543 118.700 0.001 0.000 2.440 32 N HA 0.441 5.181 4.740 0.001 0.000 0.265 32 N C -2.630 172.883 175.510 0.005 0.000 1.239 32 N CA -0.864 52.188 53.050 0.004 0.000 0.909 32 N CB 0.816 39.307 38.487 0.006 0.000 1.066 32 N HN 0.197 nan 8.380 nan 0.000 0.474 33 P HA 0.000 nan 4.420 nan 0.000 0.269 33 P C -0.594 176.711 177.300 0.009 0.000 1.209 33 P CA -0.166 62.938 63.100 0.007 0.000 0.776 33 P CB 0.667 32.371 31.700 0.007 0.000 0.876 34 V N 2.826 122.746 119.914 0.009 0.000 2.407 34 V HA 0.365 4.485 4.120 0.001 0.000 0.278 34 V C 1.552 177.652 176.094 0.010 0.000 1.037 34 V CA 0.351 62.658 62.300 0.012 0.000 0.900 34 V CB 0.880 32.711 31.823 0.012 0.000 0.983 34 V HN 0.812 nan 8.190 nan 0.000 0.459 35 G N 2.359 111.165 108.800 0.011 0.000 2.603 35 G HA2 0.059 4.019 3.960 0.001 0.000 0.214 35 G HA3 0.059 4.019 3.960 0.001 0.000 0.214 35 G C 0.219 175.123 174.900 0.007 0.000 1.140 35 G CA 0.339 45.444 45.100 0.008 0.000 0.800 35 G HN 0.649 nan 8.290 nan 0.000 0.533 36 D N -0.643 119.762 120.400 0.008 0.000 2.548 36 D HA 0.127 4.768 4.640 0.001 0.000 0.214 36 D C -0.150 176.156 176.300 0.010 0.000 1.345 36 D CA -0.451 53.553 54.000 0.005 0.000 0.945 36 D CB 1.089 41.890 40.800 0.002 0.000 1.499 36 D HN 0.223 nan 8.370 nan 0.000 0.579 37 K N 3.429 123.834 120.400 0.008 0.000 2.646 37 K HA 0.347 4.667 4.320 0.001 0.000 0.206 37 K C 0.089 176.692 176.600 0.005 0.000 1.069 37 K CA -0.166 56.130 56.287 0.015 0.000 1.067 37 K CB 0.249 32.759 32.500 0.016 0.000 0.807 37 K HN 0.269 nan 8.250 nan 0.000 0.482 38 L N -0.219 121.001 121.223 -0.006 0.000 2.749 38 L HA 0.297 4.638 4.340 0.001 0.000 0.242 38 L C -0.432 176.420 176.870 -0.030 0.000 1.103 38 L CA -0.387 54.442 54.840 -0.018 0.000 0.906 38 L CB 0.429 42.478 42.059 -0.017 0.000 1.228 38 L HN 0.219 nan 8.230 nan 0.000 0.517 39 N N 0.408 119.090 118.700 -0.030 0.000 2.540 39 N HA 0.236 4.977 4.740 0.001 0.000 0.275 39 N C -0.755 174.722 175.510 -0.056 0.000 1.053 39 N CA -0.175 52.847 53.050 -0.046 0.000 0.876 39 N CB 1.844 40.311 38.487 -0.035 0.000 1.284 39 N HN -0.151 nan 8.380 nan 0.000 0.518 40 S N 1.414 117.053 115.700 -0.101 0.000 2.558 40 S HA 0.016 4.486 4.470 0.001 0.000 0.287 40 S C 0.645 175.194 174.600 -0.086 0.000 1.321 40 S CA -0.358 57.759 58.200 -0.137 0.000 1.048 40 S CB 0.743 63.771 63.200 -0.287 0.000 0.844 40 S HN 0.398 nan 8.310 nan 0.000 0.512 41 L N 4.347 125.537 121.223 -0.056 0.000 2.456 41 L HA 0.222 4.563 4.340 0.001 0.000 0.277 41 L C 0.513 177.358 176.870 -0.041 0.000 1.124 41 L CA 0.485 55.308 54.840 -0.028 0.000 0.880 41 L CB -0.601 41.459 42.059 0.002 0.000 1.192 41 L HN 0.971 nan 8.230 nan 0.000 0.463 42 T N 1.333 115.865 114.554 -0.038 0.000 2.916 42 T HA 0.395 4.746 4.350 0.001 0.000 0.292 42 T C -0.297 174.389 174.700 -0.023 0.000 1.064 42 T CA -0.752 61.325 62.100 -0.038 0.000 1.011 42 T CB 2.209 71.048 68.868 -0.049 0.000 1.152 42 T HN 0.291 nan 8.240 nan 0.000 0.510 43 V N 1.679 121.581 119.914 -0.020 0.000 2.304 43 V HA 0.653 4.773 4.120 0.001 0.000 0.262 43 V C 0.499 176.584 176.094 -0.015 0.000 1.061 43 V CA 1.173 63.465 62.300 -0.013 0.000 0.872 43 V CB -0.700 31.118 31.823 -0.009 0.000 1.077 43 V HN 1.813 nan 8.190 nan 0.000 0.480 44 G N 6.996 115.788 108.800 -0.014 0.000 2.699 44 G HA2 -0.090 3.871 3.960 0.001 0.000 0.686 44 G HA3 -0.090 3.871 3.960 0.001 0.000 0.686 44 G C -2.088 172.801 174.900 -0.018 0.000 1.301 44 G CA -0.280 44.812 45.100 -0.014 0.000 0.816 44 G HN 0.583 nan 8.290 nan 0.000 0.595 45 P HA 0.170 nan 4.420 nan 0.000 0.242 45 P C 0.934 178.221 177.300 -0.023 0.000 1.197 45 P CA 0.789 63.877 63.100 -0.020 0.000 0.765 45 P CB 0.220 31.910 31.700 -0.017 0.000 0.936 46 R N -1.163 119.325 120.500 -0.021 0.000 2.559 46 R HA 0.378 4.719 4.340 0.001 0.000 0.448 46 R C 0.511 176.798 176.300 -0.021 0.000 0.953 46 R CA -0.127 55.960 56.100 -0.022 0.000 1.086 46 R CB 0.460 30.750 30.300 -0.018 0.000 1.491 46 R HN 0.086 nan 8.270 nan 0.000 0.597 47 G N 0.459 109.246 108.800 -0.023 0.000 2.552 47 G HA2 0.564 4.525 3.960 0.001 0.000 0.318 47 G HA3 0.564 4.525 3.960 0.001 0.000 0.318 47 G C -2.456 172.427 174.900 -0.027 0.000 1.240 47 G CA -1.393 43.695 45.100 -0.021 0.000 1.002 47 G HN -0.096 nan 8.290 nan 0.000 0.493 48 P HA 0.224 nan 4.420 nan 0.000 0.275 48 P C -0.208 177.072 177.300 -0.033 0.000 1.266 48 P CA -0.673 62.412 63.100 -0.025 0.000 0.793 48 P CB 0.768 32.460 31.700 -0.013 0.000 1.074 49 L N 0.876 122.076 121.223 -0.038 0.000 2.350 49 L HA 0.261 4.601 4.340 0.001 0.000 0.275 49 L C -0.592 176.275 176.870 -0.005 0.000 1.099 49 L CA -0.717 54.095 54.840 -0.047 0.000 0.808 49 L CB 0.318 42.327 42.059 -0.083 0.000 1.149 49 L HN 0.112 nan 8.230 nan 0.000 0.442 50 L N 5.346 126.572 121.223 0.005 0.000 2.275 50 L HA 0.133 4.473 4.340 0.001 0.000 0.288 50 L C 1.198 178.107 176.870 0.064 0.000 1.046 50 L CA -0.086 54.771 54.840 0.029 0.000 0.805 50 L CB 1.379 43.450 42.059 0.020 0.000 1.193 50 L HN 0.601 nan 8.230 nan 0.000 0.426 51 V N 1.854 121.806 119.914 0.064 0.000 2.688 51 V HA -0.272 3.849 4.120 0.001 0.000 0.256 51 V C 1.804 177.943 176.094 0.074 0.000 1.084 51 V CA 1.641 63.989 62.300 0.080 0.000 1.103 51 V CB -0.711 31.144 31.823 0.054 0.000 0.688 51 V HN 1.003 nan 8.190 nan 0.000 0.480 52 Q N 0.223 120.057 119.800 0.056 0.000 2.508 52 Q HA -0.155 4.186 4.340 0.001 0.000 0.214 52 Q C 0.724 176.761 176.000 0.061 0.000 0.979 52 Q CA 0.965 56.796 55.803 0.047 0.000 0.911 52 Q CB -0.171 28.586 28.738 0.032 0.000 0.969 52 Q HN 0.782 nan 8.270 nan 0.000 0.504 53 D N 0.395 120.851 120.400 0.094 0.000 2.522 53 D HA 0.002 4.642 4.640 0.001 0.000 0.218 53 D C 1.001 177.388 176.300 0.145 0.000 1.149 53 D CA -0.140 53.931 54.000 0.120 0.000 0.981 53 D CB 0.949 41.838 40.800 0.148 0.000 1.041 53 D HN 0.144 nan 8.370 nan 0.000 0.518 54 V N 1.505 121.470 119.914 0.084 0.000 3.380 54 V HA -0.089 4.032 4.120 0.001 0.000 0.268 54 V C 1.759 177.883 176.094 0.050 0.000 1.168 54 V CA 0.510 62.842 62.300 0.054 0.000 1.156 54 V CB -0.393 31.449 31.823 0.032 0.000 0.785 54 V HN 0.264 nan 8.190 nan 0.000 0.487 55 V N 0.004 119.967 119.914 0.081 0.000 2.283 55 V HA -0.125 3.996 4.120 0.001 0.000 0.243 55 V C 2.266 178.425 176.094 0.108 0.000 1.039 55 V CA 2.338 64.683 62.300 0.076 0.000 1.016 55 V CB -1.069 30.801 31.823 0.078 0.000 0.650 55 V HN 0.583 nan 8.190 nan 0.000 0.449 56 F N 2.175 122.129 119.950 0.006 0.000 2.014 56 F HA -0.209 4.318 4.527 0.000 0.000 0.295 56 F C 2.501 178.314 175.800 0.022 0.000 1.145 56 F CA 2.475 60.479 58.000 0.008 0.000 1.178 56 F CB -1.196 37.807 39.000 0.004 0.000 0.972 56 F HN 0.126 nan 8.300 nan 0.000 0.476 57 T N 0.045 114.385 114.554 -0.357 0.000 2.649 57 T HA -0.340 4.010 4.350 0.001 0.000 0.268 57 T C 1.526 176.067 174.700 -0.265 0.000 1.036 57 T CA 2.061 63.894 62.100 -0.446 0.000 1.157 57 T CB -0.823 67.961 68.868 -0.140 0.000 0.861 57 T HN 0.550 nan 8.240 nan 0.000 0.445 58 D N 0.551 120.879 120.400 -0.119 0.000 2.123 58 D HA -0.143 4.498 4.640 0.001 0.000 0.196 58 D C 2.171 178.450 176.300 -0.036 0.000 0.992 58 D CA 1.389 55.357 54.000 -0.054 0.000 0.833 58 D CB -0.107 40.683 40.800 -0.017 0.000 0.954 58 D HN 0.536 nan 8.370 nan 0.000 0.455 59 E N -1.252 118.919 120.200 -0.048 0.000 2.112 59 E HA -0.145 4.206 4.350 0.001 0.000 0.190 59 E C 1.912 178.524 176.600 0.020 0.000 0.979 59 E CA 0.443 56.845 56.400 0.003 0.000 0.814 59 E CB -0.046 29.661 29.700 0.013 0.000 0.762 59 E HN 0.240 nan 8.360 nan 0.000 0.460 60 M N 1.025 120.545 119.600 -0.134 0.000 2.099 60 M HA -0.038 4.442 4.480 0.001 0.000 0.262 60 M C 2.035 178.335 176.300 0.001 0.000 1.067 60 M CA 1.715 56.958 55.300 -0.095 0.000 1.124 60 M CB -0.613 31.697 32.600 -0.484 0.000 1.353 60 M HN 0.151 nan 8.290 nan 0.000 0.410 61 A N -1.159 121.609 122.820 -0.087 0.000 1.873 61 A HA -0.289 4.031 4.320 0.001 0.000 0.218 61 A C 2.177 179.750 177.584 -0.019 0.000 1.193 61 A CA 2.458 54.461 52.037 -0.056 0.000 0.629 61 A CB -1.440 17.526 19.000 -0.056 0.000 0.826 61 A HN 0.735 nan 8.150 nan 0.000 0.447 62 H N -1.923 117.133 119.070 -0.023 0.000 2.352 62 H HA -0.161 4.395 4.556 0.001 0.000 0.299 62 H C 1.695 177.024 175.328 0.003 0.000 1.097 62 H CA 2.112 58.152 56.048 -0.013 0.000 1.311 62 H CB -0.371 29.390 29.762 -0.002 0.000 1.377 62 H HN 0.461 nan 8.280 nan 0.000 0.504 63 F N 1.765 121.705 119.950 -0.016 0.000 2.120 63 F HA -0.233 4.294 4.527 0.001 0.000 0.300 63 F C 1.643 177.377 175.800 -0.109 0.000 1.095 63 F CA 1.935 59.905 58.000 -0.049 0.000 1.249 63 F CB -0.472 38.515 39.000 -0.021 0.000 0.995 63 F HN 0.253 nan 8.300 nan 0.000 0.480 64 D N 0.297 120.509 120.400 -0.314 0.000 2.403 64 D HA -0.114 4.526 4.640 0.001 0.000 0.227 64 D C 1.319 177.413 176.300 -0.344 0.000 0.995 64 D CA 0.764 54.537 54.000 -0.377 0.000 0.928 64 D CB -0.234 40.464 40.800 -0.170 0.000 0.887 64 D HN 0.516 nan 8.370 nan 0.000 0.529 65 R N -0.170 120.108 120.500 -0.371 0.000 2.566 65 R HA 0.159 4.499 4.340 0.001 0.000 0.388 65 R C 1.173 177.277 176.300 -0.327 0.000 0.989 65 R CA -0.146 55.767 56.100 -0.312 0.000 1.164 65 R CB 0.430 30.565 30.300 -0.276 0.000 1.459 65 R HN 0.102 nan 8.270 nan 0.000 0.553 66 E N 1.059 121.031 120.200 -0.378 0.000 2.118 66 E HA -0.121 4.229 4.350 0.001 0.000 0.195 66 E C 0.264 176.738 176.600 -0.210 0.000 0.992 66 E CA 0.938 57.139 56.400 -0.332 0.000 0.804 66 E CB 0.060 29.587 29.700 -0.288 0.000 0.741 66 E HN -0.025 nan 8.360 nan 0.000 0.458 67 R N 1.119 121.527 120.500 -0.153 0.000 2.438 67 R HA 0.299 4.639 4.340 0.001 0.000 0.287 67 R C 0.143 176.451 176.300 0.012 0.000 1.077 67 R CA -0.060 56.020 56.100 -0.033 0.000 1.034 67 R CB 0.187 30.448 30.300 -0.065 0.000 0.993 67 R HN 0.203 nan 8.270 nan 0.000 0.459 68 I N -0.367 120.256 120.570 0.088 0.000 2.934 68 I HA 0.673 4.843 4.170 0.001 0.000 0.306 68 I C -2.164 173.966 176.117 0.022 0.000 1.110 68 I CA -2.786 58.540 61.300 0.044 0.000 1.019 68 I CB 2.533 40.580 38.000 0.077 0.000 1.227 68 I HN 0.437 nan 8.210 nan 0.000 0.434 69 P HA 0.066 nan 4.420 nan 0.000 0.263 69 P C -0.572 176.739 177.300 0.018 0.000 1.195 69 P CA 0.212 63.310 63.100 -0.002 0.000 0.762 69 P CB 0.403 32.092 31.700 -0.019 0.000 0.799 70 E N 3.794 124.019 120.200 0.043 0.000 2.416 70 E HA 0.102 4.453 4.350 0.001 0.000 0.254 70 E C -0.251 176.377 176.600 0.048 0.000 1.241 70 E CA -0.788 55.645 56.400 0.055 0.000 0.969 70 E CB 0.498 30.238 29.700 0.068 0.000 0.999 70 E HN 0.312 nan 8.360 nan 0.000 0.481 71 R N 0.499 121.034 120.500 0.058 0.000 2.522 71 R HA -0.009 4.332 4.340 0.001 0.000 0.284 71 R C 1.281 177.609 176.300 0.047 0.000 1.032 71 R CA -0.090 56.042 56.100 0.052 0.000 1.049 71 R CB 0.463 30.818 30.300 0.091 0.000 0.956 71 R HN 0.457 nan 8.270 nan 0.000 0.422 72 V N 2.946 122.870 119.914 0.018 0.000 2.324 72 V HA -0.198 3.922 4.120 0.001 0.000 0.250 72 V C 1.033 177.144 176.094 0.029 0.000 1.060 72 V CA 1.618 63.925 62.300 0.012 0.000 1.042 72 V CB -0.771 31.040 31.823 -0.021 0.000 0.650 72 V HN 0.619 nan 8.190 nan 0.000 0.450 73 V N -3.875 116.089 119.914 0.083 0.000 3.007 73 V HA 0.599 4.719 4.120 0.001 0.000 0.311 73 V C 0.257 176.534 176.094 0.306 0.000 1.120 73 V CA -0.824 61.569 62.300 0.156 0.000 0.980 73 V CB 1.505 33.485 31.823 0.262 0.000 1.033 73 V HN 0.439 nan 8.190 nan 0.000 0.429 74 H N 0.444 119.560 119.070 0.077 0.000 3.022 74 H HA -0.237 4.319 4.556 0.001 0.000 0.258 74 H C 1.693 177.072 175.328 0.085 0.000 1.212 74 H CA 0.727 56.832 56.048 0.096 0.000 1.126 74 H CB -1.181 28.651 29.762 0.117 0.000 1.267 74 H HN 1.161 nan 8.280 nan 0.000 0.345 75 A N 0.946 123.858 122.820 0.154 0.000 1.903 75 A HA -0.202 4.119 4.320 0.001 0.000 0.219 75 A C 1.534 179.206 177.584 0.145 0.000 1.191 75 A CA 2.012 54.125 52.037 0.127 0.000 0.638 75 A CB -0.172 18.878 19.000 0.085 0.000 0.823 75 A HN 0.312 nan 8.150 nan 0.000 0.451 76 K N -0.300 120.181 120.400 0.134 0.000 2.276 76 K HA 0.502 4.823 4.320 0.001 0.000 0.285 76 K C -0.029 176.685 176.600 0.189 0.000 1.062 76 K CA 0.719 57.098 56.287 0.153 0.000 0.918 76 K CB 0.561 33.131 32.500 0.117 0.000 1.055 76 K HN 0.479 nan 8.250 nan 0.000 0.477 77 G N 1.365 110.305 108.800 0.233 0.000 2.495 77 G HA2 0.631 4.592 3.960 0.001 0.000 0.294 77 G HA3 0.631 4.592 3.960 0.001 0.000 0.294 77 G C -1.780 173.306 174.900 0.310 0.000 1.397 77 G CA -0.409 44.833 45.100 0.236 0.000 0.790 77 G HN 0.739 nan 8.290 nan 0.000 0.486 78 A N -1.503 121.465 122.820 0.247 0.000 2.387 78 A HA 1.043 5.363 4.320 0.001 0.000 0.303 78 A C 0.148 177.809 177.584 0.129 0.000 1.145 78 A CA -0.147 52.079 52.037 0.315 0.000 0.801 78 A CB 1.894 21.153 19.000 0.432 0.000 1.342 78 A HN 2.261 nan 8.150 nan 0.000 0.440 79 G N -1.502 107.365 108.800 0.111 0.000 2.733 79 G HA2 0.804 4.764 3.960 0.001 0.000 0.297 79 G HA3 0.804 4.764 3.960 0.001 0.000 0.297 79 G C -0.952 173.872 174.900 -0.127 0.000 1.422 79 G CA 0.237 45.272 45.100 -0.108 0.000 0.942 79 G HN 1.929 nan 8.290 nan 0.000 0.510 80 A N 0.150 122.767 122.820 -0.338 0.000 2.612 80 A HA 0.890 5.210 4.320 0.001 0.000 0.293 80 A C -1.719 175.539 177.584 -0.543 0.000 1.075 80 A CA -0.751 51.118 52.037 -0.281 0.000 0.680 80 A CB 1.064 20.092 19.000 0.047 0.000 1.279 80 A HN 0.795 nan 8.150 nan 0.000 0.411 81 F N -0.135 119.854 119.950 0.066 0.000 2.594 81 F HA 0.906 5.433 4.527 0.001 0.000 0.335 81 F C 1.124 176.962 175.800 0.063 0.000 1.058 81 F CA 0.448 58.485 58.000 0.062 0.000 0.981 81 F CB 2.187 41.216 39.000 0.049 0.000 1.289 81 F HN 1.127 nan 8.300 nan 0.000 0.490 82 G N -0.231 108.746 108.800 0.294 0.000 2.586 82 G HA2 0.411 4.372 3.960 0.001 0.000 0.105 82 G HA3 0.411 4.372 3.960 0.001 0.000 0.105 82 G C -1.950 173.166 174.900 0.359 0.000 1.129 82 G CA -0.068 45.190 45.100 0.262 0.000 1.127 82 G HN 0.925 nan 8.290 nan 0.000 0.532 83 Y N -1.726 118.650 120.300 0.126 0.000 2.725 83 Y HA 0.819 5.369 4.550 0.001 0.000 0.333 83 Y C -1.741 174.301 175.900 0.235 0.000 1.242 83 Y CA -1.744 56.453 58.100 0.162 0.000 1.059 83 Y CB 1.444 39.988 38.460 0.140 0.000 1.306 83 Y HN 1.002 nan 8.280 nan 0.000 0.454 84 F N 1.823 121.847 119.950 0.124 0.000 2.579 84 F HA 0.774 5.301 4.527 0.001 0.000 0.324 84 F C -1.104 174.878 175.800 0.304 0.000 1.058 84 F CA -0.722 57.341 58.000 0.105 0.000 0.944 84 F CB 2.237 41.402 39.000 0.276 0.000 1.245 84 F HN 0.787 nan 8.300 nan 0.000 0.477 85 E N 3.071 122.837 120.200 -0.723 0.000 2.335 85 E HA 0.538 4.888 4.350 0.001 0.000 0.280 85 E C -2.192 173.988 176.600 -0.700 0.000 0.918 85 E CA -0.912 55.215 56.400 -0.455 0.000 0.765 85 E CB 1.915 31.640 29.700 0.042 0.000 1.218 85 E HN 0.507 nan 8.360 nan 0.000 0.425 86 V N 3.569 123.253 119.914 -0.384 0.000 2.583 86 V HA 0.220 4.340 4.120 0.001 0.000 0.287 86 V C 1.135 177.212 176.094 -0.029 0.000 1.051 86 V CA 0.673 62.878 62.300 -0.158 0.000 1.010 86 V CB 1.073 32.925 31.823 0.049 0.000 0.988 86 V HN 1.024 nan 8.190 nan 0.000 0.478 87 T N 0.296 114.881 114.554 0.051 0.000 2.964 87 T HA 0.229 4.579 4.350 0.001 0.000 0.249 87 T C 0.446 175.213 174.700 0.110 0.000 1.000 87 T CA 0.172 62.342 62.100 0.116 0.000 0.992 87 T CB 0.120 69.117 68.868 0.215 0.000 1.087 87 T HN 0.633 nan 8.240 nan 0.000 0.489 88 H N 0.711 119.777 119.070 -0.006 0.000 2.797 88 H HA 0.647 5.203 4.556 0.001 0.000 0.372 88 H C -1.348 173.987 175.328 0.011 0.000 1.168 88 H CA -1.178 54.871 56.048 0.003 0.000 1.163 88 H CB 1.528 31.288 29.762 -0.004 0.000 1.778 88 H HN 0.122 nan 8.280 nan 0.000 0.551 89 D N 2.232 122.697 120.400 0.109 0.000 2.329 89 D HA 0.129 4.769 4.640 0.001 0.000 0.232 89 D C 0.265 176.596 176.300 0.052 0.000 1.088 89 D CA -0.336 53.705 54.000 0.070 0.000 0.835 89 D CB 0.635 41.457 40.800 0.037 0.000 1.078 89 D HN 0.680 nan 8.370 nan 0.000 0.495 90 I N 1.375 121.970 120.570 0.041 0.000 3.707 90 I HA 0.141 4.311 4.170 0.001 0.000 0.330 90 I C 1.523 177.671 176.117 0.051 0.000 1.572 90 I CA -0.503 60.823 61.300 0.043 0.000 1.104 90 I CB 0.306 38.328 38.000 0.037 0.000 1.240 90 I HN 0.157 nan 8.210 nan 0.000 0.475 91 T N -0.041 114.535 114.554 0.037 0.000 3.007 91 T HA -0.132 4.219 4.350 0.001 0.000 0.270 91 T C 1.753 176.452 174.700 -0.001 0.000 1.107 91 T CA 1.278 63.408 62.100 0.050 0.000 1.118 91 T CB -0.415 68.478 68.868 0.042 0.000 0.889 91 T HN 0.611 nan 8.240 nan 0.000 0.506 92 R N -0.877 119.560 120.500 -0.104 0.000 2.323 92 R HA 0.239 4.579 4.340 0.001 0.000 0.198 92 R C 0.994 177.166 176.300 -0.214 0.000 0.988 92 R CA 0.589 56.569 56.100 -0.200 0.000 1.041 92 R CB -0.783 29.316 30.300 -0.335 0.000 0.926 92 R HN 0.405 nan 8.270 nan 0.000 0.476 93 Y N -0.912 119.394 120.300 0.009 0.000 2.736 93 Y HA 0.377 4.927 4.550 0.001 0.000 0.272 93 Y C 0.351 176.258 175.900 0.012 0.000 1.118 93 Y CA -0.218 57.884 58.100 0.004 0.000 1.248 93 Y CB 0.500 38.954 38.460 -0.010 0.000 1.437 93 Y HN 0.107 nan 8.280 nan 0.000 0.481 94 S N 0.494 116.319 115.700 0.209 0.000 2.575 94 S HA 0.440 4.910 4.470 0.001 0.000 0.278 94 S C -0.684 173.997 174.600 0.135 0.000 1.139 94 S CA -0.842 57.451 58.200 0.156 0.000 0.954 94 S CB 1.193 64.515 63.200 0.205 0.000 1.054 94 S HN 0.219 nan 8.310 nan 0.000 0.483 95 K N 2.863 123.297 120.400 0.056 0.000 2.708 95 K HA 0.583 4.903 4.320 0.001 0.000 0.219 95 K C 0.424 176.999 176.600 -0.041 0.000 1.068 95 K CA 0.006 56.305 56.287 0.019 0.000 1.212 95 K CB -0.307 32.193 32.500 0.001 0.000 0.978 95 K HN 0.604 nan 8.250 nan 0.000 0.475 96 A N 1.399 124.173 122.820 -0.077 0.000 2.520 96 A HA 0.074 4.395 4.320 0.001 0.000 0.245 96 A C 0.652 178.076 177.584 -0.267 0.000 1.072 96 A CA -0.323 51.543 52.037 -0.286 0.000 0.761 96 A CB 0.188 18.805 19.000 -0.638 0.000 1.004 96 A HN 0.460 nan 8.150 nan 0.000 0.499 97 K N 1.805 122.058 120.400 -0.245 0.000 2.585 97 K HA -0.029 4.291 4.320 0.001 0.000 0.194 97 K C 1.159 177.644 176.600 -0.192 0.000 1.037 97 K CA 0.820 56.998 56.287 -0.182 0.000 0.964 97 K CB -0.114 32.303 32.500 -0.139 0.000 0.787 97 K HN 0.561 nan 8.250 nan 0.000 0.488 98 V N -0.497 119.224 119.914 -0.322 0.000 3.085 98 V HA -0.005 4.115 4.120 0.001 0.000 0.245 98 V C 0.638 176.729 176.094 -0.005 0.000 1.114 98 V CA 0.605 62.769 62.300 -0.227 0.000 1.108 98 V CB 0.028 31.574 31.823 -0.462 0.000 0.798 98 V HN 0.145 nan 8.190 nan 0.000 0.471 99 F N 0.876 120.845 119.950 0.030 0.000 2.773 99 F HA 0.303 4.831 4.527 0.001 0.000 0.304 99 F C 1.654 177.449 175.800 -0.009 0.000 1.129 99 F CA -0.146 57.899 58.000 0.075 0.000 1.378 99 F CB -0.964 38.065 39.000 0.049 0.000 1.095 99 F HN 0.223 nan 8.300 nan 0.000 0.565 100 E N 1.016 121.229 120.200 0.022 0.000 2.146 100 E HA -0.275 4.076 4.350 0.001 0.000 0.241 100 E C 0.283 176.815 176.600 -0.112 0.000 0.937 100 E CA 2.488 58.774 56.400 -0.191 0.000 0.916 100 E CB -0.227 29.128 29.700 -0.574 0.000 0.884 100 E HN 0.574 nan 8.360 nan 0.000 0.561 101 H N -1.898 117.223 119.070 0.085 0.000 2.797 101 H HA 0.477 5.034 4.556 0.001 0.000 0.362 101 H C -0.352 175.012 175.328 0.060 0.000 1.183 101 H CA -1.131 54.954 56.048 0.061 0.000 1.197 101 H CB 0.267 30.052 29.762 0.037 0.000 1.835 101 H HN 0.087 nan 8.280 nan 0.000 0.567 102 I N 0.584 121.288 120.570 0.223 0.000 2.588 102 I HA 0.295 4.466 4.170 0.001 0.000 0.283 102 I C 1.579 177.767 176.117 0.118 0.000 1.119 102 I CA 1.199 62.576 61.300 0.127 0.000 1.419 102 I CB 0.022 38.051 38.000 0.049 0.000 1.394 102 I HN 1.139 nan 8.210 nan 0.000 0.562 103 G N 4.721 113.576 108.800 0.092 0.000 2.218 103 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 103 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 103 G C 0.506 175.475 174.900 0.114 0.000 0.994 103 G CA -0.494 44.650 45.100 0.073 0.000 0.637 103 G HN 0.482 nan 8.290 nan 0.000 0.505 104 K N 1.570 122.082 120.400 0.187 0.000 2.402 104 K HA 0.190 4.511 4.320 0.001 0.000 0.279 104 K C 0.478 177.163 176.600 0.141 0.000 1.082 104 K CA 0.147 56.550 56.287 0.193 0.000 1.080 104 K CB -0.017 32.589 32.500 0.176 0.000 0.899 104 K HN 0.446 nan 8.250 nan 0.000 0.469 105 R N 2.851 123.444 120.500 0.154 0.000 2.369 105 R HA 0.158 4.498 4.340 0.001 0.000 0.310 105 R C -0.454 175.997 176.300 0.252 0.000 1.141 105 R CA -0.251 55.972 56.100 0.206 0.000 1.116 105 R CB 0.718 31.067 30.300 0.082 0.000 1.135 105 R HN 0.374 nan 8.270 nan 0.000 0.529 106 T N 5.606 120.385 114.554 0.375 0.000 2.780 106 T HA 0.213 4.563 4.350 0.001 0.000 0.294 106 T C -2.094 172.848 174.700 0.404 0.000 0.949 106 T CA -1.403 60.925 62.100 0.380 0.000 1.074 106 T CB 1.182 70.352 68.868 0.504 0.000 0.910 106 T HN 0.305 nan 8.240 nan 0.000 0.501 107 P HA 0.347 nan 4.420 nan 0.000 0.272 107 P C -0.494 177.029 177.300 0.373 0.000 1.223 107 P CA -0.395 62.908 63.100 0.338 0.000 0.784 107 P CB 0.602 32.453 31.700 0.253 0.000 0.923 108 I N -2.154 118.596 120.570 0.299 0.000 3.174 108 I HA 0.901 5.072 4.170 0.001 0.000 0.313 108 I C -1.442 174.827 176.117 0.255 0.000 1.155 108 I CA -1.662 59.701 61.300 0.104 0.000 0.977 108 I CB 2.348 40.154 38.000 -0.323 0.000 1.248 108 I HN 0.317 nan 8.210 nan 0.000 0.453 109 A N 2.749 125.630 122.820 0.102 0.000 2.414 109 A HA 0.893 5.214 4.320 0.001 0.000 0.306 109 A C -1.174 176.338 177.584 -0.120 0.000 1.054 109 A CA -0.606 51.468 52.037 0.062 0.000 0.724 109 A CB 1.890 21.044 19.000 0.257 0.000 1.267 109 A HN 0.610 nan 8.150 nan 0.000 0.418 110 V N 1.145 120.907 119.914 -0.254 0.000 3.007 110 V HA 0.736 4.856 4.120 0.001 0.000 0.311 110 V C -0.290 175.562 176.094 -0.404 0.000 1.120 110 V CA -0.735 61.366 62.300 -0.332 0.000 0.980 110 V CB 2.291 33.841 31.823 -0.456 0.000 1.033 110 V HN 0.956 nan 8.190 nan 0.000 0.429 111 R N 1.488 121.639 120.500 -0.581 0.000 2.510 111 R HA 0.588 4.928 4.340 0.001 0.000 0.287 111 R C -1.966 173.904 176.300 -0.716 0.000 1.084 111 R CA -0.381 55.428 56.100 -0.486 0.000 0.934 111 R CB 1.520 31.770 30.300 -0.084 0.000 1.201 111 R HN 0.572 nan 8.270 nan 0.000 0.431 112 F N 1.271 120.992 119.950 -0.383 0.000 2.408 112 F HA 0.627 5.154 4.527 0.001 0.000 0.325 112 F C 0.612 176.243 175.800 -0.282 0.000 1.082 112 F CA -0.038 57.648 58.000 -0.523 0.000 1.032 112 F CB 1.987 40.221 39.000 -1.278 0.000 1.259 112 F HN 0.617 nan 8.300 nan 0.000 0.503 113 S N -1.664 114.090 115.700 0.090 0.000 2.688 113 S HA 0.455 4.926 4.470 0.001 0.000 0.269 113 S C -0.745 173.971 174.600 0.193 0.000 1.060 113 S CA -0.801 57.508 58.200 0.183 0.000 0.844 113 S CB 0.609 63.944 63.200 0.226 0.000 1.095 113 S HN 0.724 nan 8.310 nan 0.000 0.466 114 T N -0.563 114.066 114.554 0.125 0.000 3.057 114 T HA 0.764 5.114 4.350 0.001 0.000 0.312 114 T C 1.131 175.709 174.700 -0.202 0.000 1.227 114 T CA 0.250 62.365 62.100 0.026 0.000 0.929 114 T CB -0.205 68.684 68.868 0.035 0.000 1.986 114 T HN 1.078 nan 8.240 nan 0.000 0.579 115 V N -0.389 119.394 119.914 -0.219 0.000 3.927 115 V HA 0.411 4.532 4.120 0.001 0.000 0.190 115 V C 2.820 178.809 176.094 -0.175 0.000 1.201 115 V CA 0.295 62.377 62.300 -0.363 0.000 1.324 115 V CB -1.251 30.420 31.823 -0.254 0.000 1.545 115 V HN 0.915 nan 8.190 nan 0.000 0.534 116 A N 1.139 123.864 122.820 -0.158 0.000 1.902 116 A HA 0.142 4.463 4.320 0.001 0.000 0.217 116 A C 1.646 179.166 177.584 -0.107 0.000 1.181 116 A CA 1.484 53.424 52.037 -0.163 0.000 0.623 116 A CB -1.331 17.544 19.000 -0.209 0.000 0.818 116 A HN 0.753 nan 8.150 nan 0.000 0.443 117 G N 0.113 108.871 108.800 -0.070 0.000 2.432 117 G HA2 0.385 4.346 3.960 0.001 0.000 0.239 117 G HA3 0.385 4.346 3.960 0.001 0.000 0.239 117 G C -0.170 174.724 174.900 -0.010 0.000 1.291 117 G CA -0.183 44.895 45.100 -0.036 0.000 0.863 117 G HN 0.539 nan 8.290 nan 0.000 0.560 118 E N 0.763 120.960 120.200 -0.006 0.000 2.622 118 E HA 0.253 4.603 4.350 0.001 0.000 0.255 118 E C 1.776 178.402 176.600 0.043 0.000 1.313 118 E CA -0.187 56.224 56.400 0.018 0.000 1.011 118 E CB 0.533 30.241 29.700 0.014 0.000 1.173 118 E HN 0.318 nan 8.360 nan 0.000 0.601 119 S N -0.245 115.489 115.700 0.057 0.000 2.402 119 S HA -0.174 4.296 4.470 0.001 0.000 0.233 119 S C 1.742 176.375 174.600 0.055 0.000 1.030 119 S CA 1.389 59.633 58.200 0.072 0.000 1.003 119 S CB -0.455 62.793 63.200 0.079 0.000 0.813 119 S HN 0.692 nan 8.310 nan 0.000 0.477 120 G N 1.040 109.865 108.800 0.043 0.000 2.551 120 G HA2 0.039 3.999 3.960 0.001 0.000 0.216 120 G HA3 0.039 3.999 3.960 0.001 0.000 0.216 120 G C 0.683 175.604 174.900 0.035 0.000 1.137 120 G CA 0.522 45.643 45.100 0.035 0.000 0.798 120 G HN 0.602 nan 8.290 nan 0.000 0.536 121 S N 0.212 115.932 115.700 0.034 0.000 2.586 121 S HA 0.433 4.904 4.470 0.001 0.000 0.256 121 S C 0.362 174.989 174.600 0.046 0.000 1.392 121 S CA 0.367 58.586 58.200 0.032 0.000 0.983 121 S CB 0.791 64.005 63.200 0.023 0.000 0.897 121 S HN 0.903 nan 8.310 nan 0.000 0.566 122 A N 0.559 123.407 122.820 0.047 0.000 2.330 122 A HA 0.580 4.901 4.320 0.001 0.000 0.329 122 A C 0.617 178.243 177.584 0.070 0.000 1.135 122 A CA -0.661 51.411 52.037 0.059 0.000 0.817 122 A CB 0.759 19.790 19.000 0.052 0.000 1.269 122 A HN 0.879 nan 8.150 nan 0.000 0.469 123 D N 0.621 121.076 120.400 0.092 0.000 2.091 123 D HA -0.074 4.566 4.640 0.001 0.000 0.199 123 D C 1.180 177.524 176.300 0.074 0.000 0.980 123 D CA 2.215 56.283 54.000 0.113 0.000 0.831 123 D CB -0.683 40.206 40.800 0.149 0.000 0.987 123 D HN 0.668 nan 8.370 nan 0.000 0.460 124 T N 0.506 115.081 114.554 0.035 0.000 4.653 124 T HA 0.199 4.549 4.350 0.001 0.000 0.236 124 T C 0.253 174.944 174.700 -0.014 0.000 0.740 124 T CA -0.238 61.841 62.100 -0.034 0.000 1.250 124 T CB -0.712 68.080 68.868 -0.127 0.000 1.403 124 T HN -0.074 nan 8.240 nan 0.000 0.813 125 V N 0.395 120.315 119.914 0.010 0.000 3.087 125 V HA 0.483 4.603 4.120 0.001 0.000 0.306 125 V C -0.267 175.826 176.094 -0.002 0.000 1.187 125 V CA -1.756 60.548 62.300 0.007 0.000 0.999 125 V CB 2.276 34.107 31.823 0.013 0.000 1.049 125 V HN 0.590 nan 8.190 nan 0.000 0.431 126 R N 3.412 123.895 120.500 -0.029 0.000 2.488 126 R HA 0.298 4.639 4.340 0.001 0.000 0.317 126 R C -1.149 175.116 176.300 -0.059 0.000 0.941 126 R CA 1.065 57.120 56.100 -0.075 0.000 1.076 126 R CB -0.304 29.879 30.300 -0.196 0.000 0.917 126 R HN 0.810 nan 8.270 nan 0.000 0.407 127 D N 3.959 124.355 120.400 -0.006 0.000 2.751 127 D HA 0.234 4.874 4.640 0.001 0.000 0.236 127 D C -2.874 173.481 176.300 0.090 0.000 1.196 127 D CA -1.078 52.944 54.000 0.036 0.000 0.741 127 D CB 1.834 42.641 40.800 0.012 0.000 1.474 127 D HN 0.219 nan 8.370 nan 0.000 0.452 128 P HA 0.455 nan 4.420 nan 0.000 0.272 128 P C -0.774 176.623 177.300 0.162 0.000 1.230 128 P CA -0.479 62.719 63.100 0.164 0.000 0.788 128 P CB 0.627 32.460 31.700 0.222 0.000 0.949 129 R N 0.439 121.060 120.500 0.202 0.000 2.532 129 R HA 0.647 4.988 4.340 0.001 0.000 0.295 129 R C 0.259 176.739 176.300 0.300 0.000 0.968 129 R CA -0.462 55.781 56.100 0.238 0.000 0.916 129 R CB 0.853 31.312 30.300 0.265 0.000 1.124 129 R HN 0.584 nan 8.270 nan 0.000 0.463 130 G N 1.994 110.989 108.800 0.325 0.000 2.333 130 G HA2 0.357 4.318 3.960 0.001 0.000 0.290 130 G HA3 0.357 4.318 3.960 0.001 0.000 0.290 130 G C -1.226 173.754 174.900 0.132 0.000 1.150 130 G CA -0.029 45.255 45.100 0.306 0.000 0.895 130 G HN 0.392 nan 8.290 nan 0.000 0.444 131 F N 3.687 123.579 119.950 -0.098 0.000 2.453 131 F HA 0.639 5.166 4.527 0.001 0.000 0.358 131 F C 0.175 175.708 175.800 -0.446 0.000 1.129 131 F CA -2.171 55.658 58.000 -0.283 0.000 1.200 131 F CB 0.874 39.862 39.000 -0.019 0.000 1.431 131 F HN 0.568 nan 8.300 nan 0.000 0.503 132 A N 4.698 127.225 122.820 -0.487 0.000 2.260 132 A HA 0.738 5.058 4.320 0.001 0.000 0.314 132 A C -1.181 175.784 177.584 -1.032 0.000 1.257 132 A CA -0.496 50.953 52.037 -0.981 0.000 0.871 132 A CB 0.768 18.721 19.000 -1.745 0.000 1.166 132 A HN 0.315 nan 8.150 nan 0.000 0.522 133 V N 2.914 122.368 119.914 -0.767 0.000 2.459 133 V HA 0.439 4.560 4.120 0.001 0.000 0.295 133 V C 0.158 176.011 176.094 -0.402 0.000 1.029 133 V CA -0.672 61.256 62.300 -0.619 0.000 0.874 133 V CB 1.656 32.927 31.823 -0.921 0.000 0.985 133 V HN 0.903 nan 8.190 nan 0.000 0.438 134 K N 4.032 124.274 120.400 -0.263 0.000 2.307 134 K HA 0.555 4.876 4.320 0.001 0.000 0.263 134 K C -1.675 174.564 176.600 -0.602 0.000 0.973 134 K CA -0.460 55.620 56.287 -0.345 0.000 0.846 134 K CB 0.819 33.048 32.500 -0.450 0.000 1.100 134 K HN 0.460 nan 8.250 nan 0.000 0.438 135 F N 4.353 124.026 119.950 -0.462 0.000 2.361 135 F HA 0.267 4.795 4.527 0.001 0.000 0.364 135 F C -0.533 175.092 175.800 -0.291 0.000 1.120 135 F CA -0.652 57.188 58.000 -0.267 0.000 1.102 135 F CB 0.704 39.646 39.000 -0.096 0.000 1.183 135 F HN 0.426 nan 8.300 nan 0.000 0.476 136 Y N 1.907 122.223 120.300 0.026 0.000 2.632 136 Y HA 0.238 4.788 4.550 0.001 0.000 0.336 136 Y C 1.141 176.978 175.900 -0.105 0.000 1.237 136 Y CA -0.781 57.232 58.100 -0.146 0.000 1.595 136 Y CB -0.430 37.775 38.460 -0.424 0.000 1.508 136 Y HN 0.585 nan 8.280 nan 0.000 0.480 137 T N -2.573 112.007 114.554 0.044 0.000 2.867 137 T HA 0.235 4.585 4.350 0.001 0.000 0.286 137 T C 0.947 175.624 174.700 -0.037 0.000 1.022 137 T CA -0.603 61.502 62.100 0.010 0.000 0.933 137 T CB 1.005 69.851 68.868 -0.036 0.000 1.280 137 T HN 0.448 nan 8.240 nan 0.000 0.566 138 E N -0.184 119.988 120.200 -0.046 0.000 2.371 138 E HA 0.093 4.444 4.350 0.001 0.000 0.194 138 E C 0.351 176.916 176.600 -0.058 0.000 1.012 138 E CA 0.417 56.788 56.400 -0.048 0.000 0.860 138 E CB 0.122 29.797 29.700 -0.041 0.000 0.811 138 E HN 0.514 nan 8.360 nan 0.000 0.502 139 D N 0.470 120.824 120.400 -0.076 0.000 2.738 139 D HA 0.269 4.909 4.640 0.001 0.000 0.246 139 D C 0.340 176.596 176.300 -0.074 0.000 1.270 139 D CA 0.408 54.359 54.000 -0.080 0.000 0.833 139 D CB 0.269 41.003 40.800 -0.110 0.000 1.040 139 D HN 0.163 nan 8.370 nan 0.000 0.487 140 G N 0.991 109.755 108.800 -0.061 0.000 2.728 140 G HA2 -0.233 3.727 3.960 0.001 0.000 0.294 140 G HA3 -0.233 3.727 3.960 0.001 0.000 0.294 140 G C -0.405 174.465 174.900 -0.049 0.000 1.342 140 G CA -1.006 44.062 45.100 -0.053 0.000 0.866 140 G HN 0.202 nan 8.290 nan 0.000 0.534 141 N N -0.629 118.039 118.700 -0.054 0.000 2.524 141 N HA 0.541 5.281 4.740 0.001 0.000 0.283 141 N C -0.783 174.737 175.510 0.016 0.000 1.142 141 N CA -0.207 52.797 53.050 -0.077 0.000 0.984 141 N CB 1.299 39.674 38.487 -0.186 0.000 1.155 141 N HN 0.703 nan 8.380 nan 0.000 0.467 142 W N 2.316 123.506 121.300 -0.183 0.000 2.362 142 W HA 0.358 5.019 4.660 0.001 0.000 0.316 142 W C -1.385 175.064 176.519 -0.116 0.000 1.024 142 W CA -0.876 56.341 57.345 -0.213 0.000 1.270 142 W CB 0.581 29.806 29.460 -0.390 0.000 1.273 142 W HN 0.323 nan 8.180 nan 0.000 0.424 143 D N 6.429 126.668 120.400 -0.269 0.000 2.373 143 D HA 0.134 4.774 4.640 0.001 0.000 0.227 143 D C -0.575 175.331 176.300 -0.657 0.000 1.091 143 D CA -0.254 53.537 54.000 -0.349 0.000 0.840 143 D CB 1.696 42.447 40.800 -0.081 0.000 1.060 143 D HN 0.289 nan 8.370 nan 0.000 0.502 144 L N 4.458 125.140 121.223 -0.902 0.000 2.288 144 L HA 0.250 4.590 4.340 0.001 0.000 0.283 144 L C -0.946 175.552 176.870 -0.621 0.000 1.072 144 L CA -0.490 53.768 54.840 -0.970 0.000 0.862 144 L CB 0.487 41.758 42.059 -1.313 0.000 1.245 144 L HN 0.004 nan 8.230 nan 0.000 0.432 145 V N 5.295 124.939 119.914 -0.450 0.000 2.353 145 V HA 0.668 4.788 4.120 0.001 0.000 0.264 145 V C 0.851 176.806 176.094 -0.232 0.000 1.049 145 V CA -0.289 61.767 62.300 -0.407 0.000 0.896 145 V CB 0.548 32.108 31.823 -0.437 0.000 1.025 145 V HN 0.863 nan 8.190 nan 0.000 0.475 146 G N 3.701 112.391 108.800 -0.184 0.000 2.642 146 G HA2 0.606 4.566 3.960 0.001 0.000 0.293 146 G HA3 0.606 4.566 3.960 0.001 0.000 0.293 146 G C -1.097 173.848 174.900 0.074 0.000 1.341 146 G CA -0.702 44.394 45.100 -0.007 0.000 0.916 146 G HN 0.465 nan 8.290 nan 0.000 0.474 147 N N -0.518 118.255 118.700 0.120 0.000 2.592 147 N HA 0.232 4.973 4.740 0.001 0.000 0.292 147 N C 0.185 175.833 175.510 0.230 0.000 1.260 147 N CA -0.728 52.441 53.050 0.199 0.000 0.910 147 N CB 1.093 39.699 38.487 0.199 0.000 1.257 147 N HN 0.588 nan 8.380 nan 0.000 0.569 148 N N -0.807 118.043 118.700 0.250 0.000 2.484 148 N HA 0.024 4.765 4.740 0.001 0.000 0.245 148 N C -0.535 175.023 175.510 0.081 0.000 1.184 148 N CA -0.119 53.113 53.050 0.303 0.000 0.884 148 N CB -0.176 38.490 38.487 0.298 0.000 1.182 148 N HN 0.444 nan 8.380 nan 0.000 0.493 149 T N -1.354 113.080 114.554 -0.200 0.000 2.957 149 T HA 0.314 4.664 4.350 0.001 0.000 0.336 149 T C -2.803 171.419 174.700 -0.796 0.000 1.462 149 T CA -1.109 60.597 62.100 -0.656 0.000 1.073 149 T CB 2.130 70.734 68.868 -0.440 0.000 1.319 149 T HN -0.132 nan 8.240 nan 0.000 0.485 150 P HA 0.250 nan 4.420 nan 0.000 0.240 150 P C 0.576 177.561 177.300 -0.526 0.000 1.190 150 P CA 0.149 62.881 63.100 -0.612 0.000 0.781 150 P CB -0.055 31.352 31.700 -0.487 0.000 0.931 151 I N -5.060 115.139 120.570 -0.618 0.000 3.522 151 I HA 0.725 4.896 4.170 0.001 0.000 0.292 151 I C -0.676 175.212 176.117 -0.382 0.000 1.147 151 I CA -1.495 59.467 61.300 -0.564 0.000 1.032 151 I CB 1.278 38.800 38.000 -0.797 0.000 1.337 151 I HN -0.289 nan 8.210 nan 0.000 0.496 152 F N -0.804 118.832 119.950 -0.523 0.000 2.713 152 F HA 0.452 4.980 4.527 0.001 0.000 0.311 152 F C -0.353 175.210 175.800 -0.395 0.000 1.141 152 F CA -0.881 56.871 58.000 -0.413 0.000 0.939 152 F CB 1.547 40.445 39.000 -0.170 0.000 1.325 152 F HN 0.389 nan 8.300 nan 0.000 0.453 153 F N 2.566 122.032 119.950 -0.807 0.000 2.234 153 F HA 0.059 4.586 4.527 0.001 0.000 0.299 153 F C 0.855 176.513 175.800 -0.236 0.000 1.087 153 F CA 1.057 58.723 58.000 -0.557 0.000 1.340 153 F CB -0.564 37.956 39.000 -0.800 0.000 1.031 153 F HN 0.201 nan 8.300 nan 0.000 0.500 154 I N -1.776 118.948 120.570 0.256 0.000 2.934 154 I HA 0.506 4.677 4.170 0.001 0.000 0.306 154 I C 0.542 176.810 176.117 0.251 0.000 1.110 154 I CA -1.094 60.353 61.300 0.244 0.000 1.019 154 I CB 2.399 40.573 38.000 0.290 0.000 1.227 154 I HN -0.035 nan 8.210 nan 0.000 0.434 155 R N 1.170 121.756 120.500 0.144 0.000 2.629 155 R HA 0.401 4.742 4.340 0.001 0.000 0.386 155 R C -1.099 175.255 176.300 0.091 0.000 1.071 155 R CA -0.266 55.892 56.100 0.098 0.000 1.104 155 R CB 0.358 30.692 30.300 0.056 0.000 1.370 155 R HN 0.749 nan 8.270 nan 0.000 0.574 156 D N 0.317 120.788 120.400 0.119 0.000 2.736 156 D HA 0.272 4.913 4.640 0.001 0.000 0.243 156 D C 0.526 176.905 176.300 0.131 0.000 1.304 156 D CA -0.217 53.844 54.000 0.102 0.000 0.934 156 D CB 2.269 43.129 40.800 0.100 0.000 1.382 156 D HN 0.079 nan 8.370 nan 0.000 0.571 157 A N 4.102 126.974 122.820 0.087 0.000 1.997 157 A HA -0.171 4.150 4.320 0.001 0.000 0.221 157 A C 2.167 179.846 177.584 0.159 0.000 1.172 157 A CA 1.061 53.157 52.037 0.098 0.000 0.645 157 A CB -0.420 18.603 19.000 0.038 0.000 0.813 157 A HN 0.736 nan 8.150 nan 0.000 0.454 158 L N -1.550 119.750 121.223 0.128 0.000 2.349 158 L HA -0.145 4.196 4.340 0.001 0.000 0.220 158 L C 1.340 178.309 176.870 0.165 0.000 1.130 158 L CA 0.680 55.594 54.840 0.123 0.000 0.791 158 L CB -0.184 41.928 42.059 0.088 0.000 0.918 158 L HN 0.357 nan 8.230 nan 0.000 0.444 159 L N -2.885 118.480 121.223 0.237 0.000 2.693 159 L HA 0.044 4.384 4.340 0.001 0.000 0.235 159 L C 1.551 178.642 176.870 0.367 0.000 1.127 159 L CA 0.296 55.326 54.840 0.316 0.000 0.914 159 L CB -0.197 42.098 42.059 0.392 0.000 1.193 159 L HN -0.015 nan 8.230 nan 0.000 0.502 160 F N 2.759 122.821 119.950 0.187 0.000 2.075 160 F HA -0.061 4.466 4.527 0.001 0.000 0.297 160 F C -0.424 175.423 175.800 0.077 0.000 1.113 160 F CA 1.439 59.569 58.000 0.217 0.000 1.218 160 F CB -1.126 37.959 39.000 0.142 0.000 0.984 160 F HN 0.086 nan 8.300 nan 0.000 0.472 161 P HA -0.177 nan 4.420 nan 0.000 0.214 161 P C 1.981 178.942 177.300 -0.566 0.000 1.163 161 P CA 2.100 65.008 63.100 -0.320 0.000 0.883 161 P CB -0.211 31.356 31.700 -0.221 0.000 0.788 162 S N -0.843 114.644 115.700 -0.356 0.000 2.368 162 S HA -0.197 4.274 4.470 0.001 0.000 0.226 162 S C 1.708 175.883 174.600 -0.708 0.000 1.044 162 S CA 1.454 59.431 58.200 -0.372 0.000 1.062 162 S CB -1.185 61.974 63.200 -0.068 0.000 0.931 162 S HN 0.127 nan 8.310 nan 0.000 0.440 163 F N 2.216 121.617 119.950 -0.916 0.000 2.102 163 F HA -0.066 4.461 4.527 0.001 0.000 0.298 163 F C 1.794 177.095 175.800 -0.832 0.000 1.105 163 F CA 1.217 58.476 58.000 -1.235 0.000 1.239 163 F CB -0.366 38.377 39.000 -0.428 0.000 0.991 163 F HN 0.139 nan 8.300 nan 0.000 0.474 164 I N 0.018 120.026 120.570 -0.937 0.000 2.756 164 I HA -0.246 3.924 4.170 0.001 0.000 0.262 164 I C 2.226 177.998 176.117 -0.576 0.000 1.225 164 I CA 1.318 62.086 61.300 -0.886 0.000 1.472 164 I CB -1.660 35.895 38.000 -0.742 0.000 1.094 164 I HN 0.388 nan 8.210 nan 0.000 0.454 165 H N 0.392 119.089 119.070 -0.622 0.000 2.306 165 H HA -0.087 4.470 4.556 0.001 0.000 0.307 165 H C 2.452 177.465 175.328 -0.525 0.000 1.061 165 H CA 1.342 57.114 56.048 -0.461 0.000 1.359 165 H CB 0.317 29.872 29.762 -0.346 0.000 1.407 165 H HN 0.304 nan 8.280 nan 0.000 0.517 166 S N 0.798 116.181 115.700 -0.529 0.000 2.420 166 S HA -0.192 4.279 4.470 0.001 0.000 0.237 166 S C 1.716 175.943 174.600 -0.622 0.000 1.023 166 S CA 1.099 58.965 58.200 -0.556 0.000 0.991 166 S CB -0.143 62.649 63.200 -0.680 0.000 0.792 166 S HN 0.371 nan 8.310 nan 0.000 0.488 167 Q N 0.888 120.214 119.800 -0.791 0.000 2.403 167 Q HA 0.331 4.672 4.340 0.001 0.000 0.203 167 Q C 0.633 176.357 176.000 -0.461 0.000 0.932 167 Q CA 0.541 55.914 55.803 -0.717 0.000 0.945 167 Q CB 0.142 28.315 28.738 -0.941 0.000 1.045 167 Q HN 0.679 nan 8.270 nan 0.000 0.511 168 K N 0.085 120.251 120.400 -0.390 0.000 2.359 168 K HA 0.451 4.772 4.320 0.001 0.000 0.261 168 K C 0.006 176.448 176.600 -0.263 0.000 1.050 168 K CA -0.920 55.192 56.287 -0.292 0.000 1.053 168 K CB 0.852 33.199 32.500 -0.255 0.000 1.492 168 K HN -0.132 nan 8.250 nan 0.000 0.640 169 R N 1.746 122.088 120.500 -0.263 0.000 2.539 169 R HA 0.091 4.432 4.340 0.001 0.000 0.275 169 R C 0.305 176.488 176.300 -0.196 0.000 1.077 169 R CA -0.503 55.442 56.100 -0.259 0.000 1.097 169 R CB 0.209 30.254 30.300 -0.425 0.000 1.018 169 R HN 0.471 nan 8.270 nan 0.000 0.483 170 N N 3.262 121.877 118.700 -0.141 0.000 2.458 170 N HA -0.027 4.714 4.740 0.001 0.000 0.258 170 N C -1.549 173.919 175.510 -0.070 0.000 1.219 170 N CA -1.156 51.834 53.050 -0.099 0.000 0.902 170 N CB 0.934 39.384 38.487 -0.061 0.000 1.076 170 N HN 0.339 nan 8.380 nan 0.000 0.455 171 P HA -0.193 nan 4.420 nan 0.000 0.217 171 P C 0.899 178.182 177.300 -0.028 0.000 1.148 171 P CA 1.553 64.609 63.100 -0.074 0.000 0.828 171 P CB 0.407 32.052 31.700 -0.092 0.000 0.783 172 Q N -0.245 119.543 119.800 -0.020 0.000 2.263 172 Q HA -0.046 4.294 4.340 0.001 0.000 0.196 172 Q C 2.229 178.236 176.000 0.012 0.000 0.965 172 Q CA 1.662 57.460 55.803 -0.009 0.000 0.851 172 Q CB -0.521 28.209 28.738 -0.013 0.000 0.948 172 Q HN 0.184 nan 8.270 nan 0.000 0.516 173 T N -2.702 111.860 114.554 0.014 0.000 2.951 173 T HA -0.149 4.201 4.350 0.001 0.000 0.268 173 T C 0.475 175.233 174.700 0.097 0.000 1.073 173 T CA 1.350 63.469 62.100 0.031 0.000 1.134 173 T CB -0.322 68.550 68.868 0.008 0.000 0.884 173 T HN 0.676 nan 8.240 nan 0.000 0.479 174 H N -0.080 118.957 119.070 -0.056 0.000 2.992 174 H HA -0.097 4.460 4.556 0.001 0.000 0.266 174 H C -0.703 174.593 175.328 -0.053 0.000 1.200 174 H CA 0.534 56.546 56.048 -0.059 0.000 1.135 174 H CB -2.219 27.514 29.762 -0.048 0.000 1.282 174 H HN 0.571 nan 8.280 nan 0.000 0.351 175 L N 0.290 121.471 121.223 -0.071 0.000 2.322 175 L HA 0.433 4.774 4.340 0.001 0.000 0.269 175 L C 0.654 177.456 176.870 -0.114 0.000 1.012 175 L CA -1.383 53.405 54.840 -0.087 0.000 0.815 175 L CB 1.194 43.231 42.059 -0.037 0.000 1.295 175 L HN -0.107 nan 8.230 nan 0.000 0.438 176 K N 1.330 121.668 120.400 -0.104 0.000 2.414 176 K HA 0.096 4.416 4.320 0.001 0.000 0.272 176 K C -0.744 175.812 176.600 -0.073 0.000 0.993 176 K CA 0.074 56.302 56.287 -0.098 0.000 0.964 176 K CB 0.463 32.928 32.500 -0.059 0.000 0.925 176 K HN 0.469 nan 8.250 nan 0.000 0.487 177 D N 2.775 123.127 120.400 -0.079 0.000 2.575 177 D HA 0.184 4.824 4.640 0.001 0.000 0.250 177 D C -1.810 174.473 176.300 -0.027 0.000 1.279 177 D CA -2.067 51.899 54.000 -0.056 0.000 0.925 177 D CB 1.630 42.390 40.800 -0.068 0.000 1.261 177 D HN 0.073 nan 8.370 nan 0.000 0.567 178 P HA -0.123 nan 4.420 nan 0.000 0.215 178 P C 0.735 178.128 177.300 0.154 0.000 1.157 178 P CA 0.913 64.090 63.100 0.128 0.000 0.868 178 P CB 0.704 32.405 31.700 0.002 0.000 0.788 179 D N -0.781 119.658 120.400 0.064 0.000 2.149 179 D HA -0.161 4.480 4.640 0.001 0.000 0.194 179 D C 2.183 178.510 176.300 0.046 0.000 1.001 179 D CA 1.352 55.381 54.000 0.049 0.000 0.849 179 D CB -0.644 40.175 40.800 0.031 0.000 0.939 179 D HN 0.163 nan 8.370 nan 0.000 0.449 180 M N -0.556 119.038 119.600 -0.010 0.000 2.064 180 M HA -0.140 4.340 4.480 0.001 0.000 0.260 180 M C 2.241 178.450 176.300 -0.152 0.000 1.073 180 M CA 0.817 56.075 55.300 -0.069 0.000 1.124 180 M CB -0.180 32.341 32.600 -0.132 0.000 1.326 180 M HN -0.076 nan 8.290 nan 0.000 0.410 181 V N -0.619 119.139 119.914 -0.261 0.000 2.231 181 V HA -0.319 3.801 4.120 0.001 0.000 0.250 181 V C 1.747 177.459 176.094 -0.637 0.000 1.058 181 V CA 2.337 64.266 62.300 -0.618 0.000 1.022 181 V CB -0.757 30.708 31.823 -0.597 0.000 0.640 181 V HN 0.608 nan 8.190 nan 0.000 0.445 182 W N -0.411 120.869 121.300 -0.032 0.000 2.770 182 W HA 0.009 4.670 4.660 0.001 0.000 0.256 182 W C 2.188 178.754 176.519 0.078 0.000 1.291 182 W CA 0.727 58.143 57.345 0.119 0.000 1.396 182 W CB -0.257 29.287 29.460 0.139 0.000 1.114 182 W HN 0.315 nan 8.180 nan 0.000 0.637 183 D N -0.329 120.190 120.400 0.198 0.000 2.183 183 D HA -0.211 4.430 4.640 0.001 0.000 0.203 183 D C 1.810 178.223 176.300 0.188 0.000 0.969 183 D CA 1.016 55.115 54.000 0.164 0.000 0.842 183 D CB -0.279 40.610 40.800 0.149 0.000 0.957 183 D HN 0.055 nan 8.370 nan 0.000 0.484 184 F N -0.248 119.701 119.950 -0.002 0.000 2.084 184 F HA -0.051 4.476 4.527 0.001 0.000 0.296 184 F C 1.762 177.641 175.800 0.133 0.000 1.111 184 F CA 1.183 59.184 58.000 0.001 0.000 1.224 184 F CB -0.387 38.531 39.000 -0.137 0.000 0.991 184 F HN 0.026 nan 8.300 nan 0.000 0.471 185 W N 0.248 121.593 121.300 0.074 0.000 2.363 185 W HA -0.144 4.517 4.660 0.001 0.000 0.296 185 W C 3.017 179.502 176.519 -0.055 0.000 1.212 185 W CA 1.464 58.795 57.345 -0.024 0.000 1.260 185 W CB -1.661 27.811 29.460 0.019 0.000 1.131 185 W HN 0.138 nan 8.180 nan 0.000 0.530 186 S N 0.292 116.150 115.700 0.262 0.000 2.368 186 S HA -0.147 4.323 4.470 0.001 0.000 0.225 186 S C 1.885 176.503 174.600 0.031 0.000 1.030 186 S CA 1.426 59.702 58.200 0.128 0.000 0.999 186 S CB -0.381 62.904 63.200 0.142 0.000 0.844 186 S HN 0.192 nan 8.310 nan 0.000 0.459 187 L N 0.463 121.688 121.223 0.004 0.000 2.478 187 L HA 0.176 4.516 4.340 0.001 0.000 0.223 187 L C 0.566 177.372 176.870 -0.107 0.000 1.140 187 L CA 0.374 55.191 54.840 -0.038 0.000 0.842 187 L CB -0.221 41.824 42.059 -0.025 0.000 0.953 187 L HN 0.086 nan 8.230 nan 0.000 0.452 188 R N 0.531 120.934 120.500 -0.161 0.000 2.564 188 R HA 0.240 4.580 4.340 0.001 0.000 0.282 188 R C -2.016 174.219 176.300 -0.108 0.000 1.573 188 R CA -1.881 54.113 56.100 -0.177 0.000 1.588 188 R CB 0.154 30.236 30.300 -0.362 0.000 1.154 188 R HN -0.080 nan 8.270 nan 0.000 0.606 189 P HA -0.175 nan 4.420 nan 0.000 0.229 189 P C 0.822 178.056 177.300 -0.110 0.000 1.150 189 P CA 0.933 63.959 63.100 -0.123 0.000 0.765 189 P CB 0.369 32.002 31.700 -0.113 0.000 0.783 190 E N 0.860 121.014 120.200 -0.078 0.000 2.204 190 E HA -0.137 4.213 4.350 0.001 0.000 0.195 190 E C 1.662 178.213 176.600 -0.081 0.000 0.990 190 E CA 1.587 57.951 56.400 -0.059 0.000 0.821 190 E CB -1.057 28.625 29.700 -0.031 0.000 0.750 190 E HN 0.359 nan 8.360 nan 0.000 0.477 191 S N 1.619 117.260 115.700 -0.098 0.000 2.423 191 S HA -0.109 4.361 4.470 0.001 0.000 0.231 191 S C 2.198 176.662 174.600 -0.227 0.000 1.014 191 S CA 0.668 58.782 58.200 -0.143 0.000 0.965 191 S CB -0.846 62.278 63.200 -0.127 0.000 0.785 191 S HN 0.210 nan 8.310 nan 0.000 0.495 192 L N 1.366 122.463 121.223 -0.210 0.000 2.113 192 L HA -0.365 3.975 4.340 0.001 0.000 0.237 192 L C 2.957 179.784 176.870 -0.072 0.000 1.113 192 L CA 2.409 57.143 54.840 -0.176 0.000 0.837 192 L CB -1.125 40.841 42.059 -0.154 0.000 0.929 192 L HN 0.467 nan 8.230 nan 0.000 0.449 193 H N -0.470 118.506 119.070 -0.156 0.000 2.257 193 H HA -0.265 4.292 4.556 0.001 0.000 0.292 193 H C 2.254 177.380 175.328 -0.337 0.000 1.075 193 H CA 2.557 58.487 56.048 -0.195 0.000 1.212 193 H CB -0.197 29.393 29.762 -0.288 0.000 1.354 193 H HN 0.307 nan 8.280 nan 0.000 0.497 194 Q N 0.620 120.187 119.800 -0.389 0.000 2.226 194 Q HA -0.058 4.283 4.340 0.001 0.000 0.204 194 Q C 2.444 178.139 176.000 -0.509 0.000 0.975 194 Q CA 1.108 56.467 55.803 -0.740 0.000 0.866 194 Q CB -0.479 27.480 28.738 -1.298 0.000 0.915 194 Q HN 0.268 nan 8.270 nan 0.000 0.440 195 V N -0.251 119.469 119.914 -0.322 0.000 2.261 195 V HA -0.266 3.854 4.120 0.001 0.000 0.246 195 V C 2.152 178.372 176.094 0.210 0.000 1.047 195 V CA 1.932 64.143 62.300 -0.148 0.000 1.015 195 V CB -0.806 30.803 31.823 -0.357 0.000 0.642 195 V HN 0.373 nan 8.190 nan 0.000 0.446 196 S N -0.136 115.730 115.700 0.276 0.000 2.400 196 S HA -0.241 4.229 4.470 0.001 0.000 0.234 196 S C 1.726 176.583 174.600 0.428 0.000 1.049 196 S CA 2.036 60.512 58.200 0.459 0.000 1.039 196 S CB -0.462 63.041 63.200 0.505 0.000 0.856 196 S HN 0.516 nan 8.310 nan 0.000 0.465 197 F N 0.693 120.613 119.950 -0.051 0.000 2.128 197 F HA 0.087 4.614 4.527 0.001 0.000 0.295 197 F C 2.077 177.901 175.800 0.041 0.000 1.100 197 F CA 0.066 58.034 58.000 -0.054 0.000 1.260 197 F CB -1.102 37.749 39.000 -0.249 0.000 1.009 197 F HN 0.105 nan 8.300 nan 0.000 0.476 198 L N -0.413 120.944 121.223 0.223 0.000 1.978 198 L HA -0.258 4.083 4.340 0.001 0.000 0.218 198 L C 1.734 178.611 176.870 0.012 0.000 1.075 198 L CA 1.984 56.882 54.840 0.096 0.000 0.767 198 L CB -1.071 41.060 42.059 0.120 0.000 0.890 198 L HN 0.054 nan 8.230 nan 0.000 0.434 199 F N -0.887 119.176 119.950 0.188 0.000 2.725 199 F HA 0.142 4.669 4.527 0.001 0.000 0.303 199 F C 1.497 177.391 175.800 0.155 0.000 1.167 199 F CA 0.366 58.478 58.000 0.187 0.000 1.403 199 F CB -0.636 38.504 39.000 0.233 0.000 1.077 199 F HN 0.110 nan 8.300 nan 0.000 0.537 200 S N -0.721 115.129 115.700 0.250 0.000 2.738 200 S HA 0.166 4.637 4.470 0.001 0.000 0.284 200 S C 1.164 175.826 174.600 0.104 0.000 1.146 200 S CA -0.582 57.719 58.200 0.169 0.000 0.997 200 S CB 0.989 64.285 63.200 0.161 0.000 1.081 200 S HN 0.110 nan 8.310 nan 0.000 0.553 201 D N 0.744 121.181 120.400 0.060 0.000 2.133 201 D HA -0.053 4.588 4.640 0.001 0.000 0.195 201 D C 1.954 178.289 176.300 0.058 0.000 0.997 201 D CA 1.258 55.284 54.000 0.045 0.000 0.840 201 D CB -0.145 40.666 40.800 0.018 0.000 0.947 201 D HN 0.385 nan 8.370 nan 0.000 0.452 202 R N 0.141 120.685 120.500 0.072 0.000 2.200 202 R HA 0.003 4.344 4.340 0.001 0.000 0.234 202 R C 2.126 178.487 176.300 0.102 0.000 1.127 202 R CA 0.950 57.110 56.100 0.101 0.000 0.989 202 R CB -0.877 29.502 30.300 0.130 0.000 0.869 202 R HN 0.237 nan 8.270 nan 0.000 0.459 203 G N 0.001 108.850 108.800 0.081 0.000 2.549 203 G HA2 -0.173 3.788 3.960 0.001 0.000 0.222 203 G HA3 -0.173 3.788 3.960 0.001 0.000 0.222 203 G C 0.413 175.334 174.900 0.036 0.000 1.100 203 G CA 0.922 46.048 45.100 0.043 0.000 0.739 203 G HN 0.344 nan 8.290 nan 0.000 0.577 204 I N 1.181 121.780 120.570 0.047 0.000 2.595 204 I HA 0.241 4.411 4.170 0.001 0.000 0.276 204 I C -2.607 173.544 176.117 0.057 0.000 1.109 204 I CA -2.074 59.251 61.300 0.041 0.000 1.084 204 I CB 2.509 40.515 38.000 0.010 0.000 1.206 204 I HN -0.174 nan 8.210 nan 0.000 0.486 205 P HA 0.050 nan 4.420 nan 0.000 0.274 205 P C -0.617 176.741 177.300 0.097 0.000 1.237 205 P CA -0.093 63.074 63.100 0.112 0.000 0.793 205 P CB 1.204 32.997 31.700 0.154 0.000 0.977 206 D N 0.965 121.441 120.400 0.127 0.000 2.517 206 D HA 0.384 5.025 4.640 0.001 0.000 0.220 206 D C 0.803 177.257 176.300 0.256 0.000 1.158 206 D CA 0.623 54.724 54.000 0.170 0.000 0.992 206 D CB -1.066 39.817 40.800 0.139 0.000 1.058 206 D HN 0.674 nan 8.370 nan 0.000 0.516 207 G N 2.899 111.808 108.800 0.182 0.000 2.757 207 G HA2 -0.240 3.720 3.960 0.001 0.000 0.638 207 G HA3 -0.240 3.720 3.960 0.001 0.000 0.638 207 G C 0.684 175.475 174.900 -0.181 0.000 1.344 207 G CA -0.428 44.639 45.100 -0.056 0.000 0.855 207 G HN 0.484 nan 8.290 nan 0.000 0.537 208 H N 0.488 119.429 119.070 -0.215 0.000 2.384 208 H HA 0.052 4.608 4.556 0.001 0.000 0.300 208 H C 2.797 177.891 175.328 -0.389 0.000 1.057 208 H CA 1.467 57.190 56.048 -0.543 0.000 1.370 208 H CB -0.124 28.779 29.762 -1.433 0.000 1.417 208 H HN 0.579 nan 8.280 nan 0.000 0.527 209 R N 0.613 120.979 120.500 -0.223 0.000 2.154 209 R HA -0.129 4.212 4.340 0.001 0.000 0.248 209 R C 0.579 176.677 176.300 -0.337 0.000 1.155 209 R CA 1.116 57.069 56.100 -0.245 0.000 0.979 209 R CB -0.204 29.815 30.300 -0.468 0.000 0.869 209 R HN 0.459 nan 8.270 nan 0.000 0.452 210 H N 0.100 119.180 119.070 0.017 0.000 2.640 210 H HA 0.208 4.764 4.556 0.001 0.000 0.312 210 H C 0.324 175.731 175.328 0.133 0.000 1.110 210 H CA 0.096 56.168 56.048 0.039 0.000 1.098 210 H CB -0.253 29.524 29.762 0.026 0.000 1.485 210 H HN 0.272 nan 8.280 nan 0.000 0.526 211 M N -1.363 118.428 119.600 0.318 0.000 2.658 211 M HA 0.534 5.014 4.480 0.001 0.000 0.295 211 M C -1.463 175.181 176.300 0.573 0.000 1.248 211 M CA -1.057 54.472 55.300 0.381 0.000 0.843 211 M CB 2.679 35.471 32.600 0.321 0.000 1.749 211 M HN -0.319 nan 8.290 nan 0.000 0.464 212 D N 1.160 121.861 120.400 0.501 0.000 2.193 212 D HA 0.666 5.307 4.640 0.001 0.000 0.249 212 D C -0.438 176.046 176.300 0.307 0.000 1.034 212 D CA 0.172 54.438 54.000 0.443 0.000 0.902 212 D CB 2.004 43.023 40.800 0.364 0.000 1.182 212 D HN 0.866 nan 8.370 nan 0.000 0.436 213 G N 0.730 109.337 108.800 -0.322 0.000 2.388 213 G HA2 0.580 4.541 3.960 0.001 0.000 0.330 213 G HA3 0.580 4.541 3.960 0.001 0.000 0.330 213 G C -1.375 172.371 174.900 -1.923 0.000 1.142 213 G CA -0.380 43.977 45.100 -1.238 0.000 0.908 213 G HN 0.361 nan 8.290 nan 0.000 0.473 214 Y N -0.364 119.354 120.300 -0.969 0.000 2.504 214 Y HA 0.446 4.996 4.550 0.001 0.000 0.344 214 Y C 1.102 176.964 175.900 -0.064 0.000 1.023 214 Y CA -0.711 57.133 58.100 -0.427 0.000 1.020 214 Y CB 2.665 40.948 38.460 -0.294 0.000 1.282 214 Y HN 0.620 nan 8.280 nan 0.000 0.454 215 G N 0.074 109.054 108.800 0.301 0.000 2.813 215 G HA2 0.118 4.078 3.960 0.001 0.000 0.209 215 G HA3 0.118 4.078 3.960 0.001 0.000 0.209 215 G C 0.915 175.952 174.900 0.229 0.000 1.150 215 G CA 0.842 46.150 45.100 0.347 0.000 0.785 215 G HN 0.729 nan 8.290 nan 0.000 0.535 216 S N -0.717 114.998 115.700 0.026 0.000 2.859 216 S HA -0.266 4.205 4.470 0.001 0.000 0.245 216 S C 1.120 175.518 174.600 -0.337 0.000 1.352 216 S CA 1.541 59.597 58.200 -0.239 0.000 2.857 216 S CB -1.243 61.725 63.200 -0.386 0.000 1.421 216 S HN 0.700 nan 8.310 nan 0.000 0.495 217 H N 1.389 120.332 119.070 -0.212 0.000 2.767 217 H HA 0.263 4.819 4.556 0.001 0.000 0.380 217 H C 0.508 175.458 175.328 -0.630 0.000 1.409 217 H CA 1.006 56.772 56.048 -0.470 0.000 1.463 217 H CB -0.062 29.291 29.762 -0.682 0.000 1.514 217 H HN 0.363 nan 8.280 nan 0.000 0.619 218 T N 2.096 116.342 114.554 -0.514 0.000 2.767 218 T HA 0.342 4.692 4.350 0.001 0.000 0.288 218 T C -0.143 174.267 174.700 -0.483 0.000 0.963 218 T CA -0.280 61.545 62.100 -0.459 0.000 1.019 218 T CB 0.079 68.793 68.868 -0.256 0.000 0.923 218 T HN 0.197 nan 8.240 nan 0.000 0.468 219 F N 1.333 121.339 119.950 0.092 0.000 2.629 219 F HA 0.642 5.170 4.527 0.001 0.000 0.386 219 F C 0.662 176.621 175.800 0.265 0.000 1.135 219 F CA -1.130 56.984 58.000 0.190 0.000 1.116 219 F CB 1.069 40.232 39.000 0.271 0.000 1.426 219 F HN 0.089 nan 8.300 nan 0.000 0.501 220 K N 1.516 122.193 120.400 0.462 0.000 2.443 220 K HA 0.562 4.882 4.320 0.001 0.000 0.252 220 K C -1.719 174.976 176.600 0.159 0.000 0.933 220 K CA -0.361 56.092 56.287 0.277 0.000 0.792 220 K CB 1.757 34.422 32.500 0.275 0.000 1.185 220 K HN 0.502 nan 8.250 nan 0.000 0.425 221 L N 2.990 124.252 121.223 0.064 0.000 2.334 221 L HA 0.653 4.993 4.340 0.001 0.000 0.273 221 L C -0.594 176.278 176.870 0.004 0.000 1.013 221 L CA -1.305 53.560 54.840 0.043 0.000 0.816 221 L CB 2.027 44.108 42.059 0.037 0.000 1.278 221 L HN 0.211 nan 8.230 nan 0.000 0.431 222 V N 1.258 121.177 119.914 0.009 0.000 2.612 222 V HA 0.243 4.364 4.120 0.001 0.000 0.301 222 V C -0.600 175.502 176.094 0.014 0.000 1.059 222 V CA -0.997 61.290 62.300 -0.021 0.000 0.886 222 V CB 1.879 33.688 31.823 -0.023 0.000 1.007 222 V HN 0.906 nan 8.190 nan 0.000 0.426 223 N N 3.570 122.283 118.700 0.023 0.000 2.408 223 N HA 0.454 5.195 4.740 0.001 0.000 0.260 223 N C 1.091 176.609 175.510 0.014 0.000 1.242 223 N CA -0.106 52.961 53.050 0.029 0.000 0.959 223 N CB 0.838 39.343 38.487 0.031 0.000 1.201 223 N HN 0.666 nan 8.380 nan 0.000 0.511 224 A N -1.145 121.681 122.820 0.011 0.000 2.259 224 A HA -0.160 4.161 4.320 0.001 0.000 0.212 224 A C 1.202 178.790 177.584 0.008 0.000 1.178 224 A CA 1.104 53.145 52.037 0.006 0.000 0.734 224 A CB -0.739 18.263 19.000 0.004 0.000 0.774 224 A HN 0.797 nan 8.150 nan 0.000 0.481 225 D N -1.481 118.923 120.400 0.007 0.000 2.369 225 D HA 0.213 4.853 4.640 0.001 0.000 0.211 225 D C 1.302 177.606 176.300 0.008 0.000 1.077 225 D CA 0.822 54.825 54.000 0.005 0.000 0.842 225 D CB 0.090 40.889 40.800 -0.001 0.000 0.947 225 D HN 0.490 nan 8.370 nan 0.000 0.509 226 G N 1.726 110.535 108.800 0.014 0.000 2.162 226 G HA2 -0.283 3.678 3.960 0.001 0.000 0.260 226 G HA3 -0.283 3.678 3.960 0.001 0.000 0.260 226 G C 0.049 174.950 174.900 0.001 0.000 0.976 226 G CA 0.261 45.381 45.100 0.033 0.000 0.655 226 G HN 0.422 nan 8.290 nan 0.000 0.533 227 E N 0.470 120.651 120.200 -0.031 0.000 2.283 227 E HA 0.636 4.986 4.350 0.001 0.000 0.278 227 E C 0.493 177.014 176.600 -0.132 0.000 1.027 227 E CA 0.206 56.562 56.400 -0.072 0.000 0.843 227 E CB 1.397 31.085 29.700 -0.020 0.000 1.062 227 E HN 0.638 nan 8.360 nan 0.000 0.401 228 A N 2.599 125.261 122.820 -0.264 0.000 2.330 228 A HA 0.783 5.104 4.320 0.001 0.000 0.329 228 A C -1.050 176.616 177.584 0.136 0.000 1.135 228 A CA -0.677 51.217 52.037 -0.239 0.000 0.817 228 A CB 1.791 20.319 19.000 -0.787 0.000 1.269 228 A HN 0.413 nan 8.150 nan 0.000 0.469 229 V N 0.738 120.679 119.914 0.044 0.000 3.000 229 V HA 0.457 4.578 4.120 0.001 0.000 0.300 229 V C -2.025 173.939 176.094 -0.216 0.000 1.251 229 V CA -0.637 61.626 62.300 -0.061 0.000 0.972 229 V CB 1.839 33.655 31.823 -0.012 0.000 1.065 229 V HN 0.814 nan 8.190 nan 0.000 0.431 230 Y N 4.810 125.014 120.300 -0.160 0.000 2.319 230 Y HA 0.624 5.174 4.550 0.001 0.000 0.328 230 Y C 0.759 176.721 175.900 0.103 0.000 1.133 230 Y CA 0.021 58.102 58.100 -0.031 0.000 1.265 230 Y CB 1.057 39.492 38.460 -0.041 0.000 1.218 230 Y HN 0.938 nan 8.280 nan 0.000 0.508 231 C N 1.313 120.793 119.300 0.300 0.000 3.213 231 C HA 0.932 5.392 4.460 0.001 0.000 0.319 231 C C -1.002 173.939 174.990 -0.081 0.000 1.386 231 C CA -1.371 57.727 59.018 0.133 0.000 1.494 231 C CB 1.752 29.393 27.740 -0.165 0.000 1.905 231 C HN 0.845 nan 8.230 nan 0.000 0.456 232 K N 0.254 120.543 120.400 -0.185 0.000 2.482 232 K HA 0.692 5.013 4.320 0.001 0.000 0.251 232 K C -1.655 174.880 176.600 -0.109 0.000 0.936 232 K CA -0.119 56.015 56.287 -0.256 0.000 0.791 232 K CB 1.172 33.414 32.500 -0.430 0.000 1.213 232 K HN 0.625 nan 8.250 nan 0.000 0.428 233 F N 3.156 123.183 119.950 0.128 0.000 2.394 233 F HA 0.367 4.894 4.527 0.001 0.000 0.340 233 F C 0.490 176.306 175.800 0.026 0.000 1.105 233 F CA -0.166 57.940 58.000 0.177 0.000 1.124 233 F CB 1.035 40.140 39.000 0.176 0.000 1.145 233 F HN 0.305 nan 8.300 nan 0.000 0.505 234 H N 3.624 122.918 119.070 0.374 0.000 3.013 234 H HA 0.177 4.733 4.556 0.001 0.000 0.326 234 H C -1.508 173.989 175.328 0.282 0.000 0.973 234 H CA -0.786 55.321 56.048 0.098 0.000 1.369 234 H CB 1.306 31.105 29.762 0.061 0.000 1.598 234 H HN 0.548 nan 8.280 nan 0.000 0.518 235 Y N 1.186 121.473 120.300 -0.022 0.000 2.721 235 Y HA 0.354 4.905 4.550 0.001 0.000 0.328 235 Y C 0.041 176.081 175.900 0.233 0.000 1.003 235 Y CA -1.527 56.637 58.100 0.106 0.000 1.275 235 Y CB 0.190 38.585 38.460 -0.108 0.000 1.097 235 Y HN 0.140 nan 8.280 nan 0.000 0.514 236 K N 1.328 121.971 120.400 0.406 0.000 2.270 236 K HA 0.216 4.536 4.320 0.001 0.000 0.276 236 K C 0.263 177.127 176.600 0.440 0.000 1.023 236 K CA -0.467 56.035 56.287 0.359 0.000 0.955 236 K CB 1.560 34.211 32.500 0.252 0.000 0.975 236 K HN 0.688 nan 8.250 nan 0.000 0.471 237 T N 1.163 115.913 114.554 0.326 0.000 2.930 237 T HA 0.012 4.362 4.350 0.001 0.000 0.306 237 T C 0.353 174.983 174.700 -0.116 0.000 1.045 237 T CA -0.296 61.706 62.100 -0.163 0.000 1.134 237 T CB 0.241 69.044 68.868 -0.109 0.000 0.961 237 T HN 0.372 nan 8.240 nan 0.000 0.545 238 D N 3.266 123.501 120.400 -0.274 0.000 2.360 238 D HA 0.072 4.713 4.640 0.001 0.000 0.210 238 D C 1.313 177.546 176.300 -0.111 0.000 1.047 238 D CA 0.343 54.276 54.000 -0.112 0.000 0.854 238 D CB 0.392 41.144 40.800 -0.080 0.000 0.936 238 D HN 0.511 nan 8.370 nan 0.000 0.514 239 Q N 0.343 120.031 119.800 -0.187 0.000 2.320 239 Q HA 0.371 4.712 4.340 0.001 0.000 0.201 239 Q C 0.660 176.764 176.000 0.173 0.000 0.910 239 Q CA -0.038 55.739 55.803 -0.043 0.000 0.946 239 Q CB 0.497 29.084 28.738 -0.253 0.000 1.062 239 Q HN 0.172 nan 8.270 nan 0.000 0.503 240 G N 0.612 109.465 108.800 0.088 0.000 2.797 240 G HA2 -0.260 3.701 3.960 0.001 0.000 0.686 240 G HA3 -0.260 3.701 3.960 0.001 0.000 0.686 240 G C -0.266 174.728 174.900 0.156 0.000 1.452 240 G CA -0.652 44.511 45.100 0.104 0.000 0.986 240 G HN 0.245 nan 8.290 nan 0.000 0.595 241 I N 0.925 121.566 120.570 0.119 0.000 2.938 241 I HA 0.436 4.607 4.170 0.001 0.000 0.285 241 I C 0.800 176.952 176.117 0.058 0.000 1.182 241 I CA 0.581 61.960 61.300 0.133 0.000 1.388 241 I CB 1.067 39.142 38.000 0.124 0.000 1.390 241 I HN 0.711 nan 8.210 nan 0.000 0.600 242 K N 3.762 124.206 120.400 0.073 0.000 2.584 242 K HA 0.288 4.609 4.320 0.001 0.000 0.260 242 K C -1.688 174.939 176.600 0.045 0.000 0.949 242 K CA -0.654 55.625 56.287 -0.012 0.000 0.888 242 K CB 1.073 33.450 32.500 -0.206 0.000 1.330 242 K HN 0.591 nan 8.250 nan 0.000 0.432 243 N N 2.846 121.559 118.700 0.022 0.000 2.741 243 N HA 0.603 5.344 4.740 0.001 0.000 0.310 243 N C -0.902 174.610 175.510 0.004 0.000 1.295 243 N CA -0.539 52.529 53.050 0.031 0.000 0.893 243 N CB 0.880 39.387 38.487 0.032 0.000 1.247 243 N HN 0.389 nan 8.380 nan 0.000 0.596 244 L N 0.725 121.946 121.223 -0.004 0.000 2.439 244 L HA 0.275 4.615 4.340 0.001 0.000 0.270 244 L C 0.109 176.966 176.870 -0.022 0.000 0.972 244 L CA -0.814 54.005 54.840 -0.034 0.000 0.836 244 L CB 1.861 43.872 42.059 -0.080 0.000 1.255 244 L HN 0.607 nan 8.230 nan 0.000 0.404 245 S N 1.223 116.911 115.700 -0.019 0.000 2.561 245 S HA 0.013 4.484 4.470 0.001 0.000 0.294 245 S C 1.423 176.024 174.600 0.003 0.000 1.294 245 S CA -0.724 57.474 58.200 -0.003 0.000 1.055 245 S CB 0.971 64.168 63.200 -0.005 0.000 0.819 245 S HN 0.370 nan 8.310 nan 0.000 0.503 246 V N 2.425 122.354 119.914 0.026 0.000 2.363 246 V HA -0.248 3.873 4.120 0.001 0.000 0.254 246 V C 2.681 178.794 176.094 0.032 0.000 1.074 246 V CA 2.436 64.760 62.300 0.041 0.000 1.069 246 V CB -1.271 30.595 31.823 0.071 0.000 0.659 246 V HN 0.936 nan 8.190 nan 0.000 0.455 247 E N -0.130 120.085 120.200 0.026 0.000 2.001 247 E HA -0.226 4.125 4.350 0.001 0.000 0.195 247 E C 2.148 178.751 176.600 0.006 0.000 1.002 247 E CA 1.531 57.945 56.400 0.024 0.000 0.819 247 E CB -0.288 29.423 29.700 0.019 0.000 0.769 247 E HN 0.607 nan 8.360 nan 0.000 0.454 248 D N 0.358 120.746 120.400 -0.020 0.000 2.133 248 D HA -0.225 4.415 4.640 0.001 0.000 0.192 248 D C 1.880 178.124 176.300 -0.095 0.000 1.001 248 D CA 1.431 55.394 54.000 -0.061 0.000 0.844 248 D CB -0.286 40.466 40.800 -0.081 0.000 0.944 248 D HN 0.176 nan 8.370 nan 0.000 0.447 249 A N 1.345 124.116 122.820 -0.083 0.000 1.903 249 A HA -0.216 4.104 4.320 0.001 0.000 0.219 249 A C 2.387 179.943 177.584 -0.048 0.000 1.191 249 A CA 3.052 55.035 52.037 -0.089 0.000 0.638 249 A CB -0.858 18.117 19.000 -0.043 0.000 0.823 249 A HN 0.303 nan 8.150 nan 0.000 0.451 250 A N -0.741 122.084 122.820 0.008 0.000 1.873 250 A HA -0.125 4.195 4.320 0.001 0.000 0.215 250 A C 2.245 179.905 177.584 0.127 0.000 1.186 250 A CA 1.775 53.853 52.037 0.069 0.000 0.616 250 A CB -0.527 18.522 19.000 0.081 0.000 0.823 250 A HN 0.596 nan 8.150 nan 0.000 0.442 251 R N -0.869 119.677 120.500 0.076 0.000 2.082 251 R HA -0.162 4.178 4.340 0.001 0.000 0.234 251 R C 1.936 178.092 176.300 -0.239 0.000 1.136 251 R CA 1.816 57.930 56.100 0.023 0.000 0.935 251 R CB -0.478 29.819 30.300 -0.005 0.000 0.842 251 R HN 0.349 nan 8.270 nan 0.000 0.430 252 L N 1.018 122.133 121.223 -0.180 0.000 2.013 252 L HA -0.168 4.172 4.340 0.001 0.000 0.212 252 L C 2.610 179.393 176.870 -0.144 0.000 1.073 252 L CA 2.081 56.796 54.840 -0.208 0.000 0.753 252 L CB -1.487 40.363 42.059 -0.348 0.000 0.890 252 L HN 0.415 nan 8.230 nan 0.000 0.432 253 A N -0.239 122.538 122.820 -0.073 0.000 1.894 253 A HA -0.321 3.999 4.320 0.001 0.000 0.220 253 A C 2.240 179.847 177.584 0.040 0.000 1.237 253 A CA 2.560 54.603 52.037 0.010 0.000 0.660 253 A CB -1.100 17.938 19.000 0.062 0.000 0.835 253 A HN 0.754 nan 8.150 nan 0.000 0.461 254 H N -2.100 116.975 119.070 0.008 0.000 2.465 254 H HA 0.155 4.712 4.556 0.001 0.000 0.289 254 H C 1.867 177.207 175.328 0.020 0.000 1.022 254 H CA 1.087 57.144 56.048 0.015 0.000 1.340 254 H CB -0.419 29.350 29.762 0.012 0.000 1.437 254 H HN 0.612 nan 8.280 nan 0.000 0.539 255 E N 1.058 120.847 120.200 -0.686 0.000 2.051 255 E HA -0.152 4.198 4.350 0.001 0.000 0.192 255 E C -0.114 176.415 176.600 -0.118 0.000 0.991 255 E CA 1.533 57.706 56.400 -0.378 0.000 0.799 255 E CB 0.300 29.780 29.700 -0.368 0.000 0.748 255 E HN 0.390 nan 8.360 nan 0.000 0.449 256 D N -1.817 118.541 120.400 -0.070 0.000 2.381 256 D HA 0.153 4.793 4.640 0.001 0.000 0.245 256 D C -2.291 174.041 176.300 0.054 0.000 1.297 256 D CA -1.812 52.202 54.000 0.022 0.000 0.931 256 D CB 1.202 42.053 40.800 0.085 0.000 1.334 256 D HN -0.189 nan 8.370 nan 0.000 0.535 257 P HA -0.078 nan 4.420 nan 0.000 0.216 257 P C -0.003 177.343 177.300 0.078 0.000 1.150 257 P CA 1.007 64.140 63.100 0.054 0.000 0.843 257 P CB 0.246 31.974 31.700 0.046 0.000 0.787 258 D N -2.027 118.415 120.400 0.069 0.000 2.706 258 D HA 0.004 4.645 4.640 0.001 0.000 0.236 258 D C 1.120 177.473 176.300 0.089 0.000 1.231 258 D CA -0.277 53.765 54.000 0.070 0.000 0.828 258 D CB -0.579 40.234 40.800 0.021 0.000 1.015 258 D HN 0.238 nan 8.370 nan 0.000 0.484 259 Y N 1.969 122.261 120.300 -0.014 0.000 2.030 259 Y HA -0.241 4.309 4.550 0.001 0.000 0.274 259 Y C 2.430 178.302 175.900 -0.046 0.000 1.153 259 Y CA 2.338 60.422 58.100 -0.028 0.000 1.115 259 Y CB -0.391 38.048 38.460 -0.036 0.000 0.969 259 Y HN 0.121 nan 8.280 nan 0.000 0.488 260 G N 0.447 109.312 108.800 0.109 0.000 2.469 260 G HA2 -0.314 3.646 3.960 0.001 0.000 0.220 260 G HA3 -0.314 3.646 3.960 0.001 0.000 0.220 260 G C 1.581 176.390 174.900 -0.150 0.000 1.136 260 G CA 1.137 46.124 45.100 -0.188 0.000 0.759 260 G HN 0.439 nan 8.290 nan 0.000 0.562 261 L N 1.330 122.581 121.223 0.045 0.000 1.956 261 L HA -0.158 4.182 4.340 0.001 0.000 0.216 261 L C 3.163 180.098 176.870 0.108 0.000 1.073 261 L CA 2.765 57.689 54.840 0.140 0.000 0.762 261 L CB -0.572 41.549 42.059 0.103 0.000 0.889 261 L HN 0.500 nan 8.230 nan 0.000 0.433 262 R N -0.931 119.577 120.500 0.014 0.000 2.090 262 R HA -0.168 4.173 4.340 0.001 0.000 0.228 262 R C 1.990 178.306 176.300 0.026 0.000 1.110 262 R CA 1.553 57.679 56.100 0.044 0.000 0.973 262 R CB -1.240 29.043 30.300 -0.029 0.000 0.869 262 R HN 0.437 nan 8.270 nan 0.000 0.440 263 D N 0.860 121.159 120.400 -0.168 0.000 2.157 263 D HA -0.250 4.390 4.640 0.001 0.000 0.191 263 D C 1.853 178.121 176.300 -0.054 0.000 1.004 263 D CA 1.693 55.568 54.000 -0.208 0.000 0.854 263 D CB -0.024 40.532 40.800 -0.407 0.000 0.936 263 D HN 0.279 nan 8.370 nan 0.000 0.446 264 L N -0.738 120.487 121.223 0.004 0.000 2.027 264 L HA 0.002 4.343 4.340 0.001 0.000 0.206 264 L C 2.061 179.036 176.870 0.175 0.000 1.074 264 L CA 1.656 56.560 54.840 0.107 0.000 0.745 264 L CB -1.179 41.018 42.059 0.229 0.000 0.898 264 L HN 0.196 nan 8.230 nan 0.000 0.433 265 F N 0.840 120.843 119.950 0.089 0.000 2.025 265 F HA -0.308 4.220 4.527 0.001 0.000 0.297 265 F C 2.436 178.296 175.800 0.100 0.000 1.132 265 F CA 2.290 60.359 58.000 0.114 0.000 1.191 265 F CB -0.499 38.564 39.000 0.106 0.000 0.963 265 F HN 0.263 nan 8.300 nan 0.000 0.481 266 N N 0.807 119.691 118.700 0.307 0.000 2.104 266 N HA -0.221 4.520 4.740 0.001 0.000 0.190 266 N C 2.009 177.551 175.510 0.054 0.000 1.024 266 N CA 1.394 54.550 53.050 0.177 0.000 0.853 266 N CB -0.944 37.632 38.487 0.148 0.000 1.008 266 N HN 0.433 nan 8.380 nan 0.000 0.424 267 A N 1.844 124.689 122.820 0.041 0.000 1.896 267 A HA -0.185 4.136 4.320 0.001 0.000 0.220 267 A C 2.340 179.941 177.584 0.028 0.000 1.206 267 A CA 1.483 53.529 52.037 0.015 0.000 0.647 267 A CB -0.865 18.144 19.000 0.014 0.000 0.828 267 A HN 0.259 nan 8.150 nan 0.000 0.455 268 I N -0.778 119.831 120.570 0.065 0.000 2.353 268 I HA -0.192 3.978 4.170 0.001 0.000 0.248 268 I C 2.971 179.140 176.117 0.087 0.000 1.119 268 I CA 0.818 62.226 61.300 0.179 0.000 1.417 268 I CB -0.424 37.646 38.000 0.117 0.000 1.078 268 I HN 0.380 nan 8.210 nan 0.000 0.421 269 A N 0.895 123.662 122.820 -0.089 0.000 1.865 269 A HA -0.236 4.084 4.320 0.001 0.000 0.217 269 A C 2.205 179.785 177.584 -0.006 0.000 1.191 269 A CA 2.373 54.367 52.037 -0.072 0.000 0.623 269 A CB -1.314 17.660 19.000 -0.043 0.000 0.826 269 A HN 0.501 nan 8.150 nan 0.000 0.444 270 T N -2.962 111.584 114.554 -0.012 0.000 3.509 270 T HA 0.376 4.727 4.350 0.001 0.000 0.250 270 T C 1.279 175.907 174.700 -0.120 0.000 1.076 270 T CA 0.939 63.017 62.100 -0.036 0.000 0.966 270 T CB -0.895 67.962 68.868 -0.019 0.000 1.046 270 T HN 1.729 nan 8.240 nan 0.000 0.591 271 G N 1.916 110.618 108.800 -0.163 0.000 2.216 271 G HA2 -0.381 3.579 3.960 0.001 0.000 0.269 271 G HA3 -0.381 3.579 3.960 0.001 0.000 0.269 271 G C 0.252 174.623 174.900 -0.881 0.000 0.981 271 G CA 0.456 45.252 45.100 -0.507 0.000 0.658 271 G HN 0.739 nan 8.290 nan 0.000 0.539 272 N N 0.349 118.788 118.700 -0.435 0.000 3.245 272 N HA 0.340 5.080 4.740 0.001 0.000 0.296 272 N C -0.054 175.357 175.510 -0.166 0.000 1.254 272 N CA -0.724 52.145 53.050 -0.301 0.000 1.190 272 N CB -0.109 38.295 38.487 -0.138 0.000 1.460 272 N HN 0.293 nan 8.380 nan 0.000 0.538 273 Y N 0.737 121.050 120.300 0.021 0.000 2.717 273 Y HA 0.142 4.693 4.550 0.001 0.000 0.330 273 Y C -1.831 174.079 175.900 0.016 0.000 1.217 273 Y CA -2.355 55.771 58.100 0.044 0.000 1.506 273 Y CB -0.556 37.955 38.460 0.085 0.000 1.268 273 Y HN 0.373 nan 8.280 nan 0.000 0.561 274 P HA 0.306 nan 4.420 nan 0.000 0.274 274 P C -0.720 176.580 177.300 0.001 0.000 1.231 274 P CA -0.525 62.541 63.100 -0.057 0.000 0.790 274 P CB 1.264 32.949 31.700 -0.025 0.000 0.951 275 S N 0.489 115.964 115.700 -0.375 0.000 2.556 275 S HA 0.717 5.187 4.470 0.001 0.000 0.271 275 S C -1.814 172.695 174.600 -0.153 0.000 1.135 275 S CA -0.803 57.399 58.200 0.004 0.000 0.858 275 S CB 1.261 64.499 63.200 0.063 0.000 1.114 275 S HN 0.454 nan 8.310 nan 0.000 0.468 276 W N 0.932 122.369 121.300 0.228 0.000 3.033 276 W HA 0.506 5.167 4.660 0.001 0.000 0.336 276 W C -0.510 176.145 176.519 0.227 0.000 1.173 276 W CA -0.787 56.721 57.345 0.273 0.000 1.185 276 W CB 2.200 31.900 29.460 0.400 0.000 1.425 276 W HN 0.850 nan 8.180 nan 0.000 0.536 277 T N 1.607 116.434 114.554 0.455 0.000 2.758 277 T HA 0.455 4.805 4.350 0.001 0.000 0.285 277 T C -1.062 173.797 174.700 0.265 0.000 0.981 277 T CA -0.520 61.749 62.100 0.283 0.000 0.965 277 T CB 0.779 69.757 68.868 0.184 0.000 0.927 277 T HN 0.238 nan 8.240 nan 0.000 0.448 278 L N 6.226 127.524 121.223 0.125 0.000 2.281 278 L HA 0.534 4.874 4.340 0.001 0.000 0.285 278 L C -1.323 175.477 176.870 -0.116 0.000 1.074 278 L CA -0.235 54.708 54.840 0.171 0.000 0.817 278 L CB -0.196 42.025 42.059 0.269 0.000 1.168 278 L HN 0.762 nan 8.230 nan 0.000 0.434 279 Y N 4.819 125.248 120.300 0.215 0.000 2.753 279 Y HA 0.779 5.329 4.550 0.001 0.000 0.324 279 Y C -0.103 175.889 175.900 0.154 0.000 1.147 279 Y CA -0.929 57.241 58.100 0.117 0.000 1.173 279 Y CB 1.439 39.922 38.460 0.039 0.000 1.361 279 Y HN 0.476 nan 8.280 nan 0.000 0.545 280 I N -1.571 119.149 120.570 0.249 0.000 2.787 280 I HA 0.433 4.604 4.170 0.001 0.000 0.294 280 I C -1.774 174.415 176.117 0.120 0.000 1.365 280 I CA -1.115 60.251 61.300 0.111 0.000 1.029 280 I CB 2.274 40.206 38.000 -0.113 0.000 1.313 280 I HN 0.436 nan 8.210 nan 0.000 0.431 281 Q N 3.569 123.485 119.800 0.193 0.000 2.368 281 Q HA 0.601 4.942 4.340 0.001 0.000 0.256 281 Q C -0.943 175.240 176.000 0.306 0.000 0.980 281 Q CA -0.825 55.165 55.803 0.312 0.000 0.887 281 Q CB 2.602 31.691 28.738 0.586 0.000 1.221 281 Q HN 0.574 nan 8.270 nan 0.000 0.458 282 V N 3.799 123.772 119.914 0.098 0.000 2.644 282 V HA 0.483 4.604 4.120 0.001 0.000 0.295 282 V C -0.040 176.042 176.094 -0.021 0.000 1.053 282 V CA -0.410 61.846 62.300 -0.073 0.000 0.987 282 V CB 1.562 33.118 31.823 -0.446 0.000 1.006 282 V HN 0.789 nan 8.190 nan 0.000 0.472 283 M N 4.033 123.570 119.600 -0.104 0.000 2.255 283 M HA 0.341 4.822 4.480 0.001 0.000 0.275 283 M C -0.110 176.136 176.300 -0.090 0.000 1.050 283 M CA -0.387 54.804 55.300 -0.183 0.000 0.978 283 M CB 2.058 34.207 32.600 -0.752 0.000 1.761 283 M HN 0.916 nan 8.290 nan 0.000 0.479 284 T N 0.694 115.246 114.554 -0.002 0.000 2.701 284 T HA 0.268 4.619 4.350 0.001 0.000 0.303 284 T C 0.688 175.451 174.700 0.105 0.000 1.030 284 T CA -0.080 62.077 62.100 0.094 0.000 1.010 284 T CB 0.414 69.360 68.868 0.128 0.000 1.007 284 T HN 0.512 nan 8.240 nan 0.000 0.532 285 F N 0.293 120.247 119.950 0.006 0.000 2.325 285 F HA 0.063 4.590 4.527 0.001 0.000 0.299 285 F C 2.919 178.769 175.800 0.083 0.000 1.090 285 F CA 0.680 58.731 58.000 0.086 0.000 1.392 285 F CB -0.940 38.082 39.000 0.036 0.000 1.053 285 F HN 0.555 nan 8.300 nan 0.000 0.521 286 S N 0.294 116.135 115.700 0.234 0.000 2.363 286 S HA -0.230 4.240 4.470 0.001 0.000 0.218 286 S C 1.892 176.555 174.600 0.105 0.000 1.035 286 S CA 1.626 59.909 58.200 0.139 0.000 1.043 286 S CB -0.639 62.620 63.200 0.097 0.000 0.986 286 S HN 0.397 nan 8.310 nan 0.000 0.423 287 E N 1.608 121.858 120.200 0.084 0.000 2.114 287 E HA -0.216 4.134 4.350 0.001 0.000 0.199 287 E C 2.281 178.911 176.600 0.050 0.000 1.008 287 E CA 1.161 57.608 56.400 0.077 0.000 0.810 287 E CB -0.390 29.367 29.700 0.096 0.000 0.739 287 E HN 0.529 nan 8.360 nan 0.000 0.456 288 A N 1.421 124.231 122.820 -0.016 0.000 1.940 288 A HA -0.254 4.067 4.320 0.001 0.000 0.219 288 A C 1.915 179.502 177.584 0.004 0.000 1.176 288 A CA 1.455 53.424 52.037 -0.113 0.000 0.631 288 A CB -0.369 18.582 19.000 -0.081 0.000 0.814 288 A HN 0.175 nan 8.150 nan 0.000 0.446 289 E N -1.010 119.240 120.200 0.083 0.000 2.347 289 E HA -0.054 4.296 4.350 0.001 0.000 0.196 289 E C 1.299 177.944 176.600 0.075 0.000 1.008 289 E CA 0.441 56.898 56.400 0.095 0.000 0.852 289 E CB -0.000 29.765 29.700 0.109 0.000 0.783 289 E HN 0.539 nan 8.360 nan 0.000 0.505 290 I N 0.154 120.772 120.570 0.080 0.000 3.708 290 I HA 0.016 4.186 4.170 0.001 0.000 0.302 290 I C 0.491 176.655 176.117 0.079 0.000 1.255 290 I CA -0.165 61.174 61.300 0.064 0.000 1.362 290 I CB -0.126 37.906 38.000 0.053 0.000 1.100 290 I HN -0.074 nan 8.210 nan 0.000 0.434 291 F N 4.978 124.886 119.950 -0.070 0.000 2.594 291 F HA -0.060 4.467 4.527 0.001 0.000 0.384 291 F C -0.875 174.852 175.800 -0.121 0.000 1.060 291 F CA -0.809 57.140 58.000 -0.085 0.000 1.278 291 F CB 0.208 39.127 39.000 -0.135 0.000 0.977 291 F HN 0.035 nan 8.300 nan 0.000 0.576 292 P HA -0.134 nan 4.420 nan 0.000 0.225 292 P C -0.295 176.436 177.300 -0.948 0.000 1.148 292 P CA 1.538 64.151 63.100 -0.810 0.000 0.779 292 P CB -0.004 31.074 31.700 -1.036 0.000 0.780 293 F N -1.666 118.174 119.950 -0.184 0.000 2.814 293 F HA 0.377 4.904 4.527 0.001 0.000 0.353 293 F C 0.741 176.740 175.800 0.331 0.000 1.177 293 F CA -1.476 56.590 58.000 0.110 0.000 1.036 293 F CB -0.267 38.816 39.000 0.140 0.000 1.455 293 F HN -0.384 nan 8.300 nan 0.000 0.520 294 N N 2.336 121.301 118.700 0.442 0.000 2.420 294 N HA 0.196 4.937 4.740 0.001 0.000 0.262 294 N C -2.102 173.436 175.510 0.046 0.000 1.144 294 N CA -1.676 51.492 53.050 0.196 0.000 0.952 294 N CB 1.123 39.712 38.487 0.169 0.000 1.081 294 N HN 0.109 nan 8.380 nan 0.000 0.480 295 P HA 0.000 nan 4.420 nan 0.000 0.231 295 P C 0.012 176.902 177.300 -0.683 0.000 1.158 295 P CA 0.971 63.635 63.100 -0.728 0.000 0.763 295 P CB -0.027 30.973 31.700 -1.167 0.000 0.805 296 F N -1.677 118.203 119.950 -0.117 0.000 2.653 296 F HA 0.217 4.744 4.527 0.001 0.000 0.304 296 F C 0.827 176.561 175.800 -0.111 0.000 1.092 296 F CA -1.098 56.802 58.000 -0.167 0.000 1.279 296 F CB -0.403 38.493 39.000 -0.172 0.000 1.044 296 F HN -0.166 nan 8.300 nan 0.000 0.564 297 D N 1.919 122.334 120.400 0.024 0.000 2.344 297 D HA -0.001 4.639 4.640 0.001 0.000 0.253 297 D C 1.365 177.612 176.300 -0.088 0.000 1.255 297 D CA 0.122 54.124 54.000 0.004 0.000 0.894 297 D CB 1.007 41.817 40.800 0.018 0.000 1.067 297 D HN 0.159 nan 8.370 nan 0.000 0.492 298 L N 4.409 125.589 121.223 -0.071 0.000 2.261 298 L HA -0.131 4.209 4.340 0.001 0.000 0.216 298 L C 2.068 178.811 176.870 -0.213 0.000 1.114 298 L CA 1.671 56.424 54.840 -0.144 0.000 0.777 298 L CB -0.573 41.438 42.059 -0.079 0.000 0.910 298 L HN 0.539 nan 8.230 nan 0.000 0.440 299 T N -3.069 111.373 114.554 -0.186 0.000 3.312 299 T HA 0.187 4.537 4.350 0.001 0.000 0.251 299 T C 0.442 174.895 174.700 -0.412 0.000 1.012 299 T CA -0.465 61.466 62.100 -0.281 0.000 0.925 299 T CB -0.283 68.487 68.868 -0.163 0.000 1.049 299 T HN 0.000 nan 8.240 nan 0.000 0.583 300 K N 1.013 121.178 120.400 -0.392 0.000 2.482 300 K HA 0.678 4.999 4.320 0.001 0.000 0.257 300 K C -0.621 175.782 176.600 -0.329 0.000 0.969 300 K CA -0.732 55.334 56.287 -0.367 0.000 0.842 300 K CB 2.502 34.898 32.500 -0.174 0.000 1.359 300 K HN 0.174 nan 8.250 nan 0.000 0.441 301 V N -2.506 117.308 119.914 -0.167 0.000 3.074 301 V HA 0.652 4.772 4.120 0.001 0.000 0.314 301 V C -1.271 175.011 176.094 0.313 0.000 1.117 301 V CA -1.028 61.241 62.300 -0.053 0.000 1.014 301 V CB 2.108 33.923 31.823 -0.014 0.000 1.057 301 V HN 0.586 nan 8.190 nan 0.000 0.438 302 W N 1.384 122.755 121.300 0.119 0.000 2.291 302 W HA 0.604 5.265 4.660 0.001 0.000 0.312 302 W C -2.540 174.181 176.519 0.337 0.000 1.061 302 W CA -2.760 54.685 57.345 0.167 0.000 1.296 302 W CB 0.291 29.661 29.460 -0.150 0.000 1.223 302 W HN 0.414 nan 8.180 nan 0.000 0.421 303 P HA -0.089 nan 4.420 nan 0.000 0.263 303 P C 1.051 178.663 177.300 0.521 0.000 1.175 303 P CA 0.810 64.169 63.100 0.431 0.000 0.761 303 P CB 0.614 32.524 31.700 0.351 0.000 0.794 304 H N 1.759 120.975 119.070 0.245 0.000 2.421 304 H HA -0.112 4.444 4.556 0.001 0.000 0.298 304 H C 2.128 177.530 175.328 0.124 0.000 1.087 304 H CA 0.871 57.018 56.048 0.165 0.000 1.330 304 H CB -0.227 29.585 29.762 0.084 0.000 1.388 304 H HN 0.601 nan 8.280 nan 0.000 0.526 305 G N 0.461 109.405 108.800 0.239 0.000 2.422 305 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 305 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 305 G C 1.207 176.131 174.900 0.040 0.000 1.146 305 G CA 1.047 46.218 45.100 0.119 0.000 0.769 305 G HN 0.385 nan 8.290 nan 0.000 0.547 306 D N -1.136 119.287 120.400 0.039 0.000 2.301 306 D HA 0.086 4.726 4.640 0.001 0.000 0.206 306 D C -0.263 175.651 176.300 -0.644 0.000 0.979 306 D CA 0.482 54.314 54.000 -0.279 0.000 0.874 306 D CB 0.357 41.008 40.800 -0.248 0.000 0.968 306 D HN 0.424 nan 8.370 nan 0.000 0.510 307 Y N 0.777 121.144 120.300 0.111 0.000 2.563 307 Y HA 0.266 4.816 4.550 0.001 0.000 0.351 307 Y C -2.317 173.635 175.900 0.086 0.000 1.087 307 Y CA -2.162 55.992 58.100 0.089 0.000 1.272 307 Y CB 1.498 40.027 38.460 0.115 0.000 1.095 307 Y HN -0.166 nan 8.280 nan 0.000 0.620 308 P HA 0.071 nan 4.420 nan 0.000 0.270 308 P C -0.355 176.918 177.300 -0.044 0.000 1.223 308 P CA -0.083 63.014 63.100 -0.006 0.000 0.785 308 P CB 1.589 33.292 31.700 0.005 0.000 0.923 309 L N 2.007 123.119 121.223 -0.184 0.000 2.319 309 L HA 0.307 4.647 4.340 0.001 0.000 0.280 309 L C 0.479 177.438 176.870 0.149 0.000 1.099 309 L CA -0.639 54.134 54.840 -0.112 0.000 0.828 309 L CB -0.170 41.595 42.059 -0.490 0.000 1.150 309 L HN 0.211 nan 8.230 nan 0.000 0.442 310 I N 5.571 126.265 120.570 0.206 0.000 2.321 310 I HA 0.327 4.498 4.170 0.001 0.000 0.291 310 I C -2.088 174.052 176.117 0.038 0.000 0.998 310 I CA -2.021 59.363 61.300 0.140 0.000 1.227 310 I CB 1.096 39.165 38.000 0.116 0.000 1.368 310 I HN 0.346 nan 8.210 nan 0.000 0.466 311 P HA 0.100 nan 4.420 nan 0.000 0.275 311 P C 0.418 177.412 177.300 -0.510 0.000 1.227 311 P CA -0.059 62.603 63.100 -0.731 0.000 0.781 311 P CB 1.318 32.450 31.700 -0.946 0.000 0.906 312 V N 1.125 120.851 119.914 -0.313 0.000 3.251 312 V HA 0.644 4.765 4.120 0.001 0.000 0.239 312 V C 0.294 176.429 176.094 0.068 0.000 1.332 312 V CA 1.254 63.516 62.300 -0.063 0.000 1.224 312 V CB 0.261 32.028 31.823 -0.095 0.000 1.004 312 V HN 0.678 nan 8.190 nan 0.000 0.464 313 G N -0.094 108.755 108.800 0.082 0.000 2.488 313 G HA2 0.484 4.444 3.960 0.001 0.000 0.301 313 G HA3 0.484 4.444 3.960 0.001 0.000 0.301 313 G C -2.038 172.938 174.900 0.126 0.000 1.339 313 G CA -0.779 44.367 45.100 0.078 0.000 0.803 313 G HN 0.106 nan 8.290 nan 0.000 0.482 314 K N 0.360 120.777 120.400 0.028 0.000 2.206 314 K HA 0.543 4.863 4.320 0.001 0.000 0.264 314 K C -0.846 175.862 176.600 0.180 0.000 0.967 314 K CA -0.549 55.798 56.287 0.099 0.000 0.844 314 K CB 1.806 34.322 32.500 0.027 0.000 1.099 314 K HN 0.331 nan 8.250 nan 0.000 0.441 315 L N 3.686 125.069 121.223 0.266 0.000 2.295 315 L HA 0.355 4.696 4.340 0.001 0.000 0.281 315 L C -0.680 176.329 176.870 0.232 0.000 1.018 315 L CA -0.935 54.062 54.840 0.262 0.000 0.841 315 L CB 1.465 43.709 42.059 0.309 0.000 1.218 315 L HN 0.128 nan 8.230 nan 0.000 0.424 316 V N 5.133 125.012 119.914 -0.059 0.000 2.459 316 V HA 0.454 4.574 4.120 0.001 0.000 0.295 316 V C -0.030 176.089 176.094 0.042 0.000 1.029 316 V CA -0.511 61.766 62.300 -0.038 0.000 0.874 316 V CB 2.135 33.760 31.823 -0.329 0.000 0.985 316 V HN 0.500 nan 8.190 nan 0.000 0.438 317 L N 5.214 126.563 121.223 0.210 0.000 2.319 317 L HA 0.545 4.886 4.340 0.001 0.000 0.281 317 L C 0.120 177.043 176.870 0.087 0.000 1.005 317 L CA -0.344 54.607 54.840 0.184 0.000 0.828 317 L CB 1.495 43.732 42.059 0.297 0.000 1.227 317 L HN 0.887 nan 8.230 nan 0.000 0.415 318 N N 0.866 119.513 118.700 -0.090 0.000 2.167 318 N HA 0.158 4.898 4.740 0.001 0.000 0.234 318 N C -0.160 175.149 175.510 -0.335 0.000 1.312 318 N CA -0.574 52.126 53.050 -0.583 0.000 0.861 318 N CB 0.538 38.290 38.487 -1.225 0.000 1.217 318 N HN 0.293 nan 8.380 nan 0.000 0.504 319 R N 0.294 120.772 120.500 -0.035 0.000 2.628 319 R HA 0.487 4.828 4.340 0.001 0.000 0.288 319 R C -1.365 175.028 176.300 0.154 0.000 0.980 319 R CA -0.607 55.524 56.100 0.052 0.000 0.891 319 R CB 0.756 31.130 30.300 0.124 0.000 1.188 319 R HN 0.122 nan 8.270 nan 0.000 0.450 320 N N 3.328 122.087 118.700 0.097 0.000 2.487 320 N HA 0.416 5.156 4.740 0.001 0.000 0.292 320 N C -2.355 173.352 175.510 0.329 0.000 1.108 320 N CA -1.483 51.652 53.050 0.142 0.000 0.956 320 N CB 1.445 39.815 38.487 -0.194 0.000 1.176 320 N HN 0.346 nan 8.380 nan 0.000 0.484 321 P HA -0.020 nan 4.420 nan 0.000 0.263 321 P C 0.948 178.464 177.300 0.360 0.000 1.195 321 P CA -0.025 63.367 63.100 0.488 0.000 0.762 321 P CB 0.806 32.768 31.700 0.435 0.000 0.799 322 V N 2.343 122.402 119.914 0.241 0.000 2.379 322 V HA -0.096 4.025 4.120 0.001 0.000 0.245 322 V C 1.344 177.568 176.094 0.217 0.000 1.044 322 V CA 1.581 64.005 62.300 0.208 0.000 1.036 322 V CB -0.744 31.151 31.823 0.120 0.000 0.664 322 V HN 0.701 nan 8.190 nan 0.000 0.453 323 N N -1.248 117.575 118.700 0.206 0.000 2.540 323 N HA 0.108 4.849 4.740 0.001 0.000 0.275 323 N C 0.325 175.999 175.510 0.273 0.000 1.053 323 N CA -0.434 52.747 53.050 0.219 0.000 0.876 323 N CB 1.590 40.182 38.487 0.175 0.000 1.284 323 N HN 0.249 nan 8.380 nan 0.000 0.518 324 Y N 4.883 125.302 120.300 0.198 0.000 2.069 324 Y HA -0.315 4.235 4.550 0.001 0.000 0.278 324 Y C 1.662 177.688 175.900 0.209 0.000 1.175 324 Y CA 2.044 60.264 58.100 0.201 0.000 1.134 324 Y CB -0.260 38.301 38.460 0.170 0.000 0.965 324 Y HN 0.617 nan 8.280 nan 0.000 0.498 325 F N 0.486 120.597 119.950 0.269 0.000 2.000 325 F HA -0.313 4.215 4.527 0.001 0.000 0.296 325 F C 2.512 178.329 175.800 0.028 0.000 1.159 325 F CA 2.353 60.445 58.000 0.153 0.000 1.183 325 F CB -1.269 37.828 39.000 0.162 0.000 0.959 325 F HN 0.129 nan 8.300 nan 0.000 0.490 326 A N -0.351 122.612 122.820 0.238 0.000 1.927 326 A HA -0.296 4.024 4.320 0.001 0.000 0.220 326 A C 2.018 179.580 177.584 -0.036 0.000 1.185 326 A CA 2.456 54.541 52.037 0.079 0.000 0.639 326 A CB -0.996 18.103 19.000 0.165 0.000 0.820 326 A HN 0.692 nan 8.150 nan 0.000 0.451 327 E N -1.725 118.484 120.200 0.015 0.000 2.364 327 E HA 0.128 4.478 4.350 0.001 0.000 0.196 327 E C 1.588 178.193 176.600 0.008 0.000 0.990 327 E CA 0.664 57.122 56.400 0.097 0.000 0.886 327 E CB 0.332 30.198 29.700 0.276 0.000 0.866 327 E HN 0.421 nan 8.360 nan 0.000 0.493 328 V N 0.188 119.952 119.914 -0.250 0.000 2.854 328 V HA -0.048 4.073 4.120 0.001 0.000 0.236 328 V C 2.021 177.856 176.094 -0.432 0.000 1.157 328 V CA 0.784 62.827 62.300 -0.428 0.000 1.187 328 V CB 0.079 31.427 31.823 -0.792 0.000 0.949 328 V HN 0.028 nan 8.190 nan 0.000 0.488 329 E N 1.009 120.879 120.200 -0.550 0.000 2.110 329 E HA -0.251 4.099 4.350 0.001 0.000 0.193 329 E C 2.082 178.483 176.600 -0.332 0.000 0.988 329 E CA 1.644 57.861 56.400 -0.305 0.000 0.804 329 E CB -0.213 29.389 29.700 -0.163 0.000 0.745 329 E HN 0.593 nan 8.360 nan 0.000 0.458 330 Q N -0.485 119.049 119.800 -0.443 0.000 2.444 330 Q HA 0.115 4.455 4.340 0.001 0.000 0.206 330 Q C 0.098 175.949 176.000 -0.248 0.000 0.948 330 Q CA -0.283 55.298 55.803 -0.370 0.000 0.946 330 Q CB 0.099 28.595 28.738 -0.403 0.000 1.027 330 Q HN 0.304 nan 8.270 nan 0.000 0.513 331 L N 0.606 121.686 121.223 -0.238 0.000 2.483 331 L HA 0.066 4.406 4.340 0.001 0.000 0.276 331 L C -0.336 176.326 176.870 -0.346 0.000 1.213 331 L CA -0.278 54.383 54.840 -0.297 0.000 0.843 331 L CB 0.589 42.455 42.059 -0.322 0.000 1.107 331 L HN 0.040 nan 8.230 nan 0.000 0.487 332 A N 4.472 126.975 122.820 -0.528 0.000 2.411 332 A HA 0.575 4.895 4.320 0.001 0.000 0.285 332 A C -1.191 176.059 177.584 -0.556 0.000 1.129 332 A CA -0.429 51.155 52.037 -0.756 0.000 0.736 332 A CB 0.422 18.810 19.000 -1.020 0.000 1.186 332 A HN 0.470 nan 8.150 nan 0.000 0.445 333 F N 2.036 121.973 119.950 -0.021 0.000 2.385 333 F HA 0.338 4.865 4.527 0.001 0.000 0.360 333 F C -0.061 175.824 175.800 0.141 0.000 1.122 333 F CA -0.180 57.814 58.000 -0.010 0.000 1.090 333 F CB 1.713 40.655 39.000 -0.097 0.000 1.150 333 F HN 0.469 nan 8.300 nan 0.000 0.472 334 D N 6.647 127.161 120.400 0.189 0.000 2.460 334 D HA 0.183 4.824 4.640 0.001 0.000 0.232 334 D C -1.895 174.400 176.300 -0.009 0.000 1.079 334 D CA -1.366 52.724 54.000 0.150 0.000 0.864 334 D CB 1.741 42.663 40.800 0.204 0.000 1.048 334 D HN 0.182 nan 8.370 nan 0.000 0.523 335 P HA -0.226 nan 4.420 nan 0.000 0.218 335 P C 1.577 178.859 177.300 -0.030 0.000 1.152 335 P CA 1.313 64.314 63.100 -0.164 0.000 0.857 335 P CB 0.182 31.706 31.700 -0.294 0.000 0.787 336 S N -2.191 113.510 115.700 0.001 0.000 2.507 336 S HA -0.101 4.369 4.470 0.001 0.000 0.235 336 S C 0.949 175.580 174.600 0.051 0.000 0.988 336 S CA 0.395 58.620 58.200 0.042 0.000 0.944 336 S CB -1.410 61.826 63.200 0.059 0.000 0.762 336 S HN 0.226 nan 8.310 nan 0.000 0.526 337 N N 1.845 120.574 118.700 0.048 0.000 2.671 337 N HA 0.286 5.026 4.740 0.001 0.000 0.274 337 N C -1.021 174.559 175.510 0.118 0.000 1.188 337 N CA 0.036 53.117 53.050 0.052 0.000 1.065 337 N CB -0.002 38.499 38.487 0.024 0.000 1.415 337 N HN 0.473 nan 8.380 nan 0.000 0.511 338 M N 2.106 121.750 119.600 0.074 0.000 2.259 338 M HA 0.454 4.934 4.480 0.001 0.000 0.304 338 M C -2.449 173.792 176.300 -0.098 0.000 1.019 338 M CA -1.859 53.450 55.300 0.015 0.000 0.922 338 M CB 2.088 34.691 32.600 0.005 0.000 1.600 338 M HN 0.117 nan 8.290 nan 0.000 0.433 339 P HA 0.463 nan 4.420 nan 0.000 0.279 339 P C -2.781 174.402 177.300 -0.196 0.000 1.276 339 P CA -1.761 61.225 63.100 -0.190 0.000 0.801 339 P CB -0.697 30.868 31.700 -0.226 0.000 1.127 340 P HA 0.106 nan 4.420 nan 0.000 0.260 340 P C 0.891 178.112 177.300 -0.131 0.000 1.185 340 P CA 1.446 64.487 63.100 -0.099 0.000 0.763 340 P CB -0.412 31.246 31.700 -0.070 0.000 0.776 341 G N 3.006 111.749 108.800 -0.094 0.000 2.428 341 G HA2 -0.152 3.808 3.960 0.001 0.000 0.199 341 G HA3 -0.152 3.808 3.960 0.001 0.000 0.199 341 G C -0.104 174.744 174.900 -0.086 0.000 1.005 341 G CA -0.436 44.614 45.100 -0.083 0.000 0.671 341 G HN 0.473 nan 8.290 nan 0.000 0.485 342 I N 1.642 122.114 120.570 -0.164 0.000 2.418 342 I HA 0.629 4.799 4.170 0.001 0.000 0.287 342 I C -0.332 175.769 176.117 -0.027 0.000 1.008 342 I CA -0.597 60.616 61.300 -0.145 0.000 1.104 342 I CB 1.844 39.561 38.000 -0.472 0.000 1.264 342 I HN 0.101 nan 8.210 nan 0.000 0.438 343 E N 7.035 127.304 120.200 0.115 0.000 2.416 343 E HA 0.514 4.864 4.350 0.001 0.000 0.273 343 E C -2.612 174.177 176.600 0.316 0.000 0.935 343 E CA -1.828 54.677 56.400 0.175 0.000 0.784 343 E CB 2.996 32.799 29.700 0.171 0.000 1.301 343 E HN 0.281 nan 8.360 nan 0.000 0.454 344 P HA 0.070 nan 4.420 nan 0.000 0.279 344 P C -0.727 176.664 177.300 0.151 0.000 1.276 344 P CA -0.352 62.899 63.100 0.251 0.000 0.801 344 P CB 1.089 32.859 31.700 0.117 0.000 1.127 345 S N -0.995 114.691 115.700 -0.024 0.000 2.739 345 S HA 0.525 4.995 4.470 0.001 0.000 0.306 345 S C -2.014 172.397 174.600 -0.315 0.000 1.115 345 S CA -1.564 56.561 58.200 -0.124 0.000 0.985 345 S CB 1.031 64.128 63.200 -0.172 0.000 1.133 345 S HN 0.302 nan 8.310 nan 0.000 0.541 346 P HA 0.064 nan 4.420 nan 0.000 0.247 346 P C -0.179 176.885 177.300 -0.394 0.000 1.225 346 P CA 0.116 62.909 63.100 -0.512 0.000 0.768 346 P CB -0.593 30.739 31.700 -0.614 0.000 1.020 347 D N 1.595 121.794 120.400 -0.336 0.000 2.518 347 D HA -0.087 4.553 4.640 0.001 0.000 0.270 347 D C 1.096 177.312 176.300 -0.140 0.000 1.338 347 D CA 0.384 54.303 54.000 -0.136 0.000 0.983 347 D CB 0.486 41.207 40.800 -0.131 0.000 1.126 347 D HN 0.047 nan 8.370 nan 0.000 0.543 348 K N 3.239 123.595 120.400 -0.073 0.000 2.242 348 K HA -0.203 4.118 4.320 0.001 0.000 0.206 348 K C 1.827 178.392 176.600 -0.057 0.000 1.045 348 K CA 1.117 57.372 56.287 -0.053 0.000 0.930 348 K CB 0.094 32.597 32.500 0.005 0.000 0.726 348 K HN 0.555 nan 8.250 nan 0.000 0.462 349 M N -0.335 119.230 119.600 -0.058 0.000 2.248 349 M HA -0.060 4.421 4.480 0.001 0.000 0.265 349 M C 2.192 178.371 176.300 -0.202 0.000 1.079 349 M CA 0.801 56.061 55.300 -0.066 0.000 1.150 349 M CB -0.612 32.006 32.600 0.029 0.000 1.366 349 M HN 0.136 nan 8.290 nan 0.000 0.433 350 L N 1.357 122.327 121.223 -0.421 0.000 1.989 350 L HA -0.214 4.127 4.340 0.001 0.000 0.211 350 L C 2.505 179.191 176.870 -0.307 0.000 1.071 350 L CA 1.965 56.393 54.840 -0.687 0.000 0.749 350 L CB -0.947 40.630 42.059 -0.804 0.000 0.890 350 L HN 0.290 nan 8.230 nan 0.000 0.431 351 Q N -0.176 119.497 119.800 -0.212 0.000 2.062 351 Q HA -0.215 4.125 4.340 0.001 0.000 0.209 351 Q C 2.134 178.101 176.000 -0.055 0.000 0.996 351 Q CA 1.985 57.717 55.803 -0.119 0.000 0.859 351 Q CB -1.153 27.518 28.738 -0.111 0.000 0.920 351 Q HN 0.692 nan 8.270 nan 0.000 0.415 352 G N 0.773 109.542 108.800 -0.052 0.000 2.422 352 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 352 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 352 G C 1.514 176.431 174.900 0.028 0.000 1.146 352 G CA 0.666 45.776 45.100 0.017 0.000 0.769 352 G HN 0.305 nan 8.290 nan 0.000 0.547 353 R N -0.132 120.334 120.500 -0.058 0.000 2.148 353 R HA 0.132 4.473 4.340 0.001 0.000 0.227 353 R C 2.516 178.825 176.300 0.014 0.000 1.103 353 R CA 0.422 56.520 56.100 -0.003 0.000 0.983 353 R CB -0.410 29.798 30.300 -0.153 0.000 0.874 353 R HN 0.331 nan 8.270 nan 0.000 0.451 354 L N -0.174 121.045 121.223 -0.008 0.000 2.043 354 L HA -0.233 4.107 4.340 0.001 0.000 0.212 354 L C 2.293 179.230 176.870 0.112 0.000 1.075 354 L CA 1.418 56.278 54.840 0.034 0.000 0.752 354 L CB -0.416 41.662 42.059 0.032 0.000 0.891 354 L HN 0.184 nan 8.230 nan 0.000 0.432 355 F N 0.314 120.266 119.950 0.002 0.000 2.188 355 F HA 0.087 4.615 4.527 0.001 0.000 0.289 355 F C 2.412 178.220 175.800 0.014 0.000 1.082 355 F CA 0.751 58.756 58.000 0.009 0.000 1.282 355 F CB -0.530 38.464 39.000 -0.011 0.000 1.060 355 F HN -0.073 nan 8.300 nan 0.000 0.493 356 A N 0.155 122.652 122.820 -0.538 0.000 1.865 356 A HA -0.217 4.104 4.320 0.001 0.000 0.217 356 A C 2.113 179.389 177.584 -0.513 0.000 1.191 356 A CA 2.022 53.653 52.037 -0.678 0.000 0.623 356 A CB -1.700 17.102 19.000 -0.330 0.000 0.826 356 A HN 0.538 nan 8.150 nan 0.000 0.444 357 Y N 0.164 120.223 120.300 -0.402 0.000 2.097 357 Y HA -0.119 4.432 4.550 0.001 0.000 0.282 357 Y C -0.089 175.480 175.900 -0.551 0.000 1.152 357 Y CA 2.201 60.030 58.100 -0.452 0.000 1.136 357 Y CB -1.753 36.547 38.460 -0.266 0.000 0.975 357 Y HN 0.301 nan 8.280 nan 0.000 0.498 358 P HA -0.124 nan 4.420 nan 0.000 0.217 358 P C 0.992 178.221 177.300 -0.117 0.000 1.150 358 P CA 1.985 65.121 63.100 0.060 0.000 0.832 358 P CB 0.029 31.828 31.700 0.165 0.000 0.787 359 D N -0.816 119.404 120.400 -0.299 0.000 2.137 359 D HA -0.166 4.474 4.640 0.001 0.000 0.193 359 D C 1.714 177.861 176.300 -0.255 0.000 0.993 359 D CA 2.145 55.955 54.000 -0.317 0.000 0.846 359 D CB -0.924 39.454 40.800 -0.703 0.000 0.990 359 D HN -0.000 nan 8.370 nan 0.000 0.448 360 T N -1.132 113.203 114.554 -0.366 0.000 2.714 360 T HA -0.245 4.106 4.350 0.001 0.000 0.268 360 T C 1.641 176.208 174.700 -0.222 0.000 1.036 360 T CA 1.869 63.804 62.100 -0.274 0.000 1.148 360 T CB -0.779 67.864 68.868 -0.376 0.000 0.856 360 T HN 0.404 nan 8.240 nan 0.000 0.462 361 H N 0.571 119.431 119.070 -0.351 0.000 2.353 361 H HA 0.043 4.600 4.556 0.001 0.000 0.300 361 H C 2.678 177.656 175.328 -0.584 0.000 1.090 361 H CA 0.891 56.536 56.048 -0.672 0.000 1.327 361 H CB 0.036 28.989 29.762 -1.349 0.000 1.383 361 H HN 0.234 nan 8.280 nan 0.000 0.508 362 R N -0.320 120.072 120.500 -0.180 0.000 2.152 362 R HA -0.163 4.178 4.340 0.001 0.000 0.232 362 R C 1.940 178.282 176.300 0.070 0.000 1.117 362 R CA 1.603 57.745 56.100 0.070 0.000 0.981 362 R CB -0.218 30.168 30.300 0.143 0.000 0.870 362 R HN 0.532 nan 8.270 nan 0.000 0.451 363 H N 0.447 119.478 119.070 -0.065 0.000 2.388 363 H HA 0.082 4.638 4.556 0.001 0.000 0.304 363 H C 2.237 177.538 175.328 -0.044 0.000 1.049 363 H CA 1.045 57.067 56.048 -0.044 0.000 1.371 363 H CB 0.162 29.890 29.762 -0.057 0.000 1.436 363 H HN -0.053 nan 8.280 nan 0.000 0.544 364 R N -0.046 120.347 120.500 -0.179 0.000 2.066 364 R HA -0.027 4.313 4.340 0.001 0.000 0.232 364 R C 1.568 177.771 176.300 -0.162 0.000 1.131 364 R CA 1.949 57.922 56.100 -0.211 0.000 0.955 364 R CB -0.018 30.240 30.300 -0.070 0.000 0.851 364 R HN 0.438 nan 8.270 nan 0.000 0.432 365 L N -1.635 119.517 121.223 -0.118 0.000 2.362 365 L HA 0.406 4.747 4.340 0.001 0.000 0.204 365 L C 0.782 177.656 176.870 0.006 0.000 1.060 365 L CA 0.241 55.046 54.840 -0.059 0.000 0.827 365 L CB 0.424 42.452 42.059 -0.051 0.000 1.027 365 L HN 0.430 nan 8.230 nan 0.000 0.474 366 G N -1.226 107.601 108.800 0.044 0.000 2.316 366 G HA2 0.015 3.976 3.960 0.001 0.000 0.468 366 G HA3 0.015 3.976 3.960 0.001 0.000 0.468 366 G C -2.697 172.327 174.900 0.207 0.000 1.523 366 G CA -0.795 44.360 45.100 0.092 0.000 0.972 366 G HN -0.268 nan 8.290 nan 0.000 0.667 367 P HA -0.094 nan 4.420 nan 0.000 0.217 367 P C 1.079 178.469 177.300 0.149 0.000 1.148 367 P CA 1.195 64.402 63.100 0.178 0.000 0.834 367 P CB 0.180 31.942 31.700 0.104 0.000 0.783 368 N N -1.389 117.368 118.700 0.095 0.000 2.320 368 N HA 0.039 4.779 4.740 0.001 0.000 0.237 368 N C 1.017 176.507 175.510 -0.033 0.000 1.129 368 N CA -0.185 52.861 53.050 -0.005 0.000 0.854 368 N CB -0.467 38.020 38.487 -0.001 0.000 1.083 368 N HN 0.359 nan 8.380 nan 0.000 0.504 369 Y N -0.547 119.743 120.300 -0.017 0.000 2.207 369 Y HA -0.046 4.504 4.550 0.001 0.000 0.287 369 Y C 1.666 177.526 175.900 -0.066 0.000 1.156 369 Y CA 0.882 58.952 58.100 -0.049 0.000 1.182 369 Y CB -0.660 37.762 38.460 -0.064 0.000 0.979 369 Y HN -0.036 nan 8.280 nan 0.000 0.521 370 L N 0.731 121.453 121.223 -0.834 0.000 2.447 370 L HA -0.198 4.142 4.340 0.001 0.000 0.225 370 L C 2.098 178.838 176.870 -0.217 0.000 1.148 370 L CA 1.208 55.738 54.840 -0.516 0.000 0.808 370 L CB -0.576 41.156 42.059 -0.546 0.000 0.928 370 L HN 0.474 nan 8.230 nan 0.000 0.448 371 Q N -0.239 119.464 119.800 -0.163 0.000 2.424 371 Q HA 0.125 4.466 4.340 0.001 0.000 0.204 371 Q C 0.580 176.556 176.000 -0.040 0.000 0.933 371 Q CA 0.111 55.866 55.803 -0.079 0.000 0.929 371 Q CB 0.419 29.122 28.738 -0.059 0.000 1.037 371 Q HN 0.490 nan 8.270 nan 0.000 0.511 372 I N 2.616 123.167 120.570 -0.031 0.000 2.618 372 I HA -0.044 4.126 4.170 0.001 0.000 0.284 372 I C -1.506 174.602 176.117 -0.015 0.000 1.146 372 I CA -1.605 59.688 61.300 -0.012 0.000 1.425 372 I CB 0.654 38.651 38.000 -0.005 0.000 1.383 372 I HN -0.098 nan 8.210 nan 0.000 0.562 373 P HA -0.266 nan 4.420 nan 0.000 0.221 373 P C 1.656 178.945 177.300 -0.019 0.000 1.160 373 P CA 1.497 64.570 63.100 -0.046 0.000 0.933 373 P CB -0.060 31.594 31.700 -0.076 0.000 0.793 374 V N -0.461 119.446 119.914 -0.011 0.000 2.392 374 V HA -0.247 3.874 4.120 0.001 0.000 0.249 374 V C 1.984 178.163 176.094 0.143 0.000 1.059 374 V CA 2.238 64.576 62.300 0.063 0.000 1.051 374 V CB -1.359 30.508 31.823 0.074 0.000 0.658 374 V HN 0.171 nan 8.190 nan 0.000 0.455 375 N N -0.664 118.063 118.700 0.046 0.000 2.416 375 N HA -0.002 4.739 4.740 0.001 0.000 0.177 375 N C 0.951 176.496 175.510 0.058 0.000 1.036 375 N CA 0.673 53.728 53.050 0.008 0.000 0.901 375 N CB -0.246 38.212 38.487 -0.048 0.000 0.976 375 N HN 0.532 nan 8.380 nan 0.000 0.444 376 C N 4.710 124.063 119.300 0.088 0.000 2.633 376 C HA 0.108 4.568 4.460 0.001 0.000 0.415 376 C C -1.811 173.312 174.990 0.221 0.000 1.393 376 C CA -1.197 57.877 59.018 0.094 0.000 1.700 376 C CB -0.065 27.717 27.740 0.070 0.000 2.541 376 C HN 0.236 nan 8.230 nan 0.000 0.603 377 P HA 0.102 nan 4.420 nan 0.000 0.230 377 P C 0.063 177.387 177.300 0.040 0.000 1.791 377 P CA 0.023 63.177 63.100 0.090 0.000 1.020 377 P CB -0.810 30.889 31.700 -0.001 0.000 1.977 378 Y N -0.145 120.189 120.300 0.057 0.000 2.651 378 Y HA -0.038 4.512 4.550 0.001 0.000 0.293 378 Y C 1.266 177.163 175.900 -0.004 0.000 1.151 378 Y CA 0.403 58.495 58.100 -0.013 0.000 1.362 378 Y CB -0.720 37.690 38.460 -0.083 0.000 0.973 378 Y HN -0.014 nan 8.280 nan 0.000 0.561 379 R N 0.959 121.303 120.500 -0.260 0.000 2.633 379 R HA 0.627 4.968 4.340 0.001 0.000 0.348 379 R C -0.492 175.763 176.300 -0.075 0.000 1.100 379 R CA 0.391 56.397 56.100 -0.157 0.000 1.068 379 R CB 0.381 30.537 30.300 -0.241 0.000 1.351 379 R HN 0.383 nan 8.270 nan 0.000 0.575 380 A N 0.605 123.397 122.820 -0.048 0.000 2.594 380 A HA 0.562 4.883 4.320 0.001 0.000 0.291 380 A C -1.146 176.423 177.584 -0.025 0.000 1.105 380 A CA -0.812 51.202 52.037 -0.037 0.000 0.694 380 A CB 1.553 20.526 19.000 -0.045 0.000 1.291 380 A HN 0.156 nan 8.150 nan 0.000 0.410 381 R N 1.061 121.542 120.500 -0.031 0.000 2.755 381 R HA 0.413 4.753 4.340 0.001 0.000 0.268 381 R C -1.119 175.151 176.300 -0.049 0.000 1.295 381 R CA -0.380 55.700 56.100 -0.034 0.000 1.379 381 R CB -0.070 30.210 30.300 -0.033 0.000 1.170 381 R HN 0.620 nan 8.270 nan 0.000 0.584 382 V N 3.849 123.734 119.914 -0.048 0.000 2.390 382 V HA 0.536 4.657 4.120 0.001 0.000 0.260 382 V C -0.604 175.439 176.094 -0.085 0.000 1.043 382 V CA 0.496 62.757 62.300 -0.065 0.000 1.047 382 V CB 0.071 31.859 31.823 -0.058 0.000 1.066 382 V HN 0.779 nan 8.190 nan 0.000 0.481 383 A N 5.957 128.709 122.820 -0.113 0.000 2.381 383 A HA 0.886 5.207 4.320 0.001 0.000 0.299 383 A C -0.471 176.964 177.584 -0.248 0.000 1.049 383 A CA -0.510 51.430 52.037 -0.162 0.000 0.715 383 A CB 1.462 20.376 19.000 -0.144 0.000 1.222 383 A HN 1.003 nan 8.150 nan 0.000 0.428 384 N N -0.214 118.285 118.700 -0.335 0.000 3.635 384 N HA 0.329 5.070 4.740 0.001 0.000 0.347 384 N C -0.930 174.162 175.510 -0.697 0.000 1.596 384 N CA -0.519 52.228 53.050 -0.505 0.000 0.778 384 N CB 0.216 38.566 38.487 -0.229 0.000 2.436 384 N HN 0.245 nan 8.380 nan 0.000 0.569 385 Y N -0.458 119.822 120.300 -0.034 0.000 2.720 385 Y HA 0.443 4.993 4.550 0.001 0.000 0.277 385 Y C -0.280 175.632 175.900 0.021 0.000 1.144 385 Y CA -0.409 57.696 58.100 0.009 0.000 1.221 385 Y CB 0.184 38.665 38.460 0.035 0.000 1.163 385 Y HN 0.232 nan 8.280 nan 0.000 0.537 386 Q N 1.288 121.121 119.800 0.055 0.000 2.257 386 Q HA 0.555 4.895 4.340 0.001 0.000 0.255 386 Q C -0.209 175.810 176.000 0.031 0.000 0.920 386 Q CA -0.676 55.157 55.803 0.049 0.000 0.927 386 Q CB 1.566 30.313 28.738 0.015 0.000 1.229 386 Q HN 0.102 nan 8.270 nan 0.000 0.433 387 R N 1.990 122.517 120.500 0.045 0.000 2.837 387 R HA 0.404 4.744 4.340 0.001 0.000 0.271 387 R C -0.614 175.703 176.300 0.028 0.000 0.993 387 R CA -0.579 55.542 56.100 0.034 0.000 0.931 387 R CB 1.331 31.661 30.300 0.049 0.000 1.206 387 R HN 0.733 nan 8.270 nan 0.000 0.474 388 D N -0.158 120.254 120.400 0.020 0.000 3.496 388 D HA -0.179 4.462 4.640 0.001 0.000 0.238 388 D C 0.380 176.691 176.300 0.020 0.000 1.707 388 D CA 1.830 55.841 54.000 0.019 0.000 1.150 388 D CB -1.029 39.786 40.800 0.024 0.000 0.759 388 D HN 0.885 nan 8.370 nan 0.000 0.936 389 G N -1.232 107.583 108.800 0.024 0.000 2.629 389 G HA2 0.228 4.188 3.960 0.001 0.000 0.686 389 G HA3 0.228 4.188 3.960 0.001 0.000 0.686 389 G C -2.934 171.982 174.900 0.027 0.000 1.232 389 G CA -0.363 44.754 45.100 0.029 0.000 0.803 389 G HN 0.577 nan 8.290 nan 0.000 0.638 390 P HA 0.292 nan 4.420 nan 0.000 0.265 390 P C 0.802 178.119 177.300 0.029 0.000 1.193 390 P CA 0.370 63.488 63.100 0.030 0.000 0.765 390 P CB 0.641 32.361 31.700 0.033 0.000 0.823 391 M N -0.739 118.876 119.600 0.024 0.000 2.461 391 M HA -0.159 4.322 4.480 0.001 0.000 0.203 391 M C 0.072 176.383 176.300 0.018 0.000 0.428 391 M CA 0.075 55.389 55.300 0.024 0.000 0.509 391 M CB -2.803 29.815 32.600 0.031 0.000 1.851 391 M HN 0.505 nan 8.290 nan 0.000 0.834 392 C N 1.757 121.065 119.300 0.014 0.000 2.693 392 C HA 0.219 4.680 4.460 0.001 0.000 0.393 392 C C 1.338 176.330 174.990 0.002 0.000 1.348 392 C CA -0.169 58.853 59.018 0.006 0.000 1.508 392 C CB -0.751 26.994 27.740 0.007 0.000 2.295 392 C HN 0.509 nan 8.230 nan 0.000 0.605 393 M N 6.250 125.848 119.600 -0.002 0.000 1.898 393 M HA 0.507 4.988 4.480 0.001 0.000 0.191 393 M C 0.975 177.269 176.300 -0.010 0.000 1.181 393 M CA 0.527 55.824 55.300 -0.004 0.000 0.990 393 M CB 0.052 32.649 32.600 -0.006 0.000 1.143 393 M HN 0.781 nan 8.290 nan 0.000 0.540 394 M N -0.706 118.887 119.600 -0.012 0.000 7.319 394 M HA -0.318 4.162 4.480 0.001 0.000 0.162 394 M C 0.088 176.381 176.300 -0.012 0.000 0.480 394 M CA 1.339 56.630 55.300 -0.015 0.000 1.311 394 M CB -1.807 30.780 32.600 -0.021 0.000 0.421 394 M HN 0.794 nan 8.290 nan 0.000 0.179 395 D N 0.598 120.990 120.400 -0.014 0.000 2.368 395 D HA 0.218 4.859 4.640 0.001 0.000 0.218 395 D C 0.793 177.087 176.300 -0.011 0.000 1.112 395 D CA 0.797 54.791 54.000 -0.011 0.000 0.834 395 D CB -0.212 40.579 40.800 -0.016 0.000 0.953 395 D HN 0.606 nan 8.370 nan 0.000 0.505 396 N N 1.027 119.719 118.700 -0.013 0.000 2.681 396 N HA -0.333 4.407 4.740 0.001 0.000 0.250 396 N C -0.614 174.886 175.510 -0.016 0.000 1.133 396 N CA 0.774 53.817 53.050 -0.012 0.000 0.732 396 N CB -0.409 38.076 38.487 -0.003 0.000 1.107 396 N HN 0.374 nan 8.380 nan 0.000 0.559 397 Q N -3.436 116.350 119.800 -0.023 0.000 2.504 397 Q HA -0.195 4.146 4.340 0.001 0.000 0.269 397 Q C 0.946 176.935 176.000 -0.018 0.000 0.970 397 Q CA 0.746 56.531 55.803 -0.031 0.000 1.064 397 Q CB -1.861 26.847 28.738 -0.049 0.000 1.355 397 Q HN 0.842 nan 8.270 nan 0.000 0.557 398 G N -0.273 108.521 108.800 -0.010 0.000 2.627 398 G HA2 -0.348 3.613 3.960 0.001 0.000 0.312 398 G HA3 -0.348 3.613 3.960 0.001 0.000 0.312 398 G C 0.509 175.411 174.900 0.003 0.000 1.299 398 G CA 0.381 45.478 45.100 -0.004 0.000 0.989 398 G HN 0.910 nan 8.290 nan 0.000 0.547 399 G N 0.309 109.111 108.800 0.005 0.000 3.518 399 G HA2 0.665 4.625 3.960 0.001 0.000 0.273 399 G HA3 0.665 4.625 3.960 0.001 0.000 0.273 399 G C 0.547 175.456 174.900 0.015 0.000 1.199 399 G CA 1.219 46.324 45.100 0.008 0.000 0.899 399 G HN 1.678 nan 8.290 nan 0.000 0.533 400 A N 1.071 123.903 122.820 0.019 0.000 2.425 400 A HA 0.591 4.911 4.320 0.001 0.000 0.249 400 A C -1.920 175.710 177.584 0.077 0.000 1.084 400 A CA -0.951 51.106 52.037 0.034 0.000 0.781 400 A CB 0.198 19.200 19.000 0.004 0.000 1.019 400 A HN 0.212 nan 8.150 nan 0.000 0.490 401 P HA -0.014 nan 4.420 nan 0.000 0.263 401 P C 0.144 177.622 177.300 0.298 0.000 1.175 401 P CA 0.552 63.758 63.100 0.176 0.000 0.761 401 P CB 0.205 31.987 31.700 0.138 0.000 0.794 402 N N 1.504 120.434 118.700 0.383 0.000 2.238 402 N HA 0.055 4.796 4.740 0.001 0.000 0.222 402 N C -0.618 175.163 175.510 0.452 0.000 1.133 402 N CA -0.586 52.726 53.050 0.437 0.000 0.854 402 N CB 0.010 38.657 38.487 0.266 0.000 1.041 402 N HN 0.336 nan 8.380 nan 0.000 0.510 403 Y N -2.023 118.311 120.300 0.057 0.000 2.512 403 Y HA 0.619 5.170 4.550 0.001 0.000 0.348 403 Y C -1.693 173.926 175.900 -0.468 0.000 0.990 403 Y CA -2.324 55.681 58.100 -0.158 0.000 1.033 403 Y CB 0.528 38.956 38.460 -0.054 0.000 1.259 403 Y HN -0.029 nan 8.280 nan 0.000 0.461 404 Y N 5.077 124.933 120.300 -0.740 0.000 2.376 404 Y HA 0.744 5.295 4.550 0.001 0.000 0.340 404 Y C -2.561 173.187 175.900 -0.253 0.000 0.965 404 Y CA -2.733 54.928 58.100 -0.733 0.000 1.078 404 Y CB 1.628 39.583 38.460 -0.843 0.000 1.193 404 Y HN 0.755 nan 8.280 nan 0.000 0.452 405 P HA 0.370 nan 4.420 nan 0.000 0.278 405 P C -1.775 175.258 177.300 -0.445 0.000 1.258 405 P CA -0.473 62.186 63.100 -0.735 0.000 0.811 405 P CB 1.690 33.000 31.700 -0.650 0.000 1.063 406 N N -2.143 116.325 118.700 -0.387 0.000 2.571 406 N HA 0.389 5.129 4.740 0.001 0.000 0.273 406 N C -0.654 174.796 175.510 -0.100 0.000 1.340 406 N CA -0.903 51.958 53.050 -0.315 0.000 0.789 406 N CB 0.948 39.088 38.487 -0.579 0.000 1.514 406 N HN 0.074 nan 8.380 nan 0.000 0.499 407 S N -0.422 115.257 115.700 -0.035 0.000 2.588 407 S HA 0.322 4.793 4.470 0.001 0.000 0.245 407 S C -0.744 173.498 174.600 -0.598 0.000 1.021 407 S CA -0.455 57.566 58.200 -0.297 0.000 1.006 407 S CB -0.798 62.174 63.200 -0.380 0.000 0.830 407 S HN 0.530 nan 8.310 nan 0.000 0.468 408 F N 0.755 120.700 119.950 -0.007 0.000 2.735 408 F HA 0.352 4.880 4.527 0.001 0.000 0.308 408 F C 1.135 176.946 175.800 0.018 0.000 1.112 408 F CA -0.430 57.581 58.000 0.019 0.000 1.235 408 F CB 0.243 39.272 39.000 0.048 0.000 1.027 408 F HN 0.076 nan 8.300 nan 0.000 0.528 409 S N 0.330 116.092 115.700 0.104 0.000 3.482 409 S HA -0.148 4.322 4.470 0.001 0.000 0.294 409 S C 0.691 175.355 174.600 0.107 0.000 1.244 409 S CA 0.139 58.387 58.200 0.081 0.000 0.911 409 S CB -1.486 61.751 63.200 0.062 0.000 1.070 409 S HN 0.564 nan 8.310 nan 0.000 0.614 410 A N 1.328 124.243 122.820 0.159 0.000 2.346 410 A HA 0.566 4.886 4.320 0.001 0.000 0.255 410 A C -1.972 175.714 177.584 0.170 0.000 1.113 410 A CA -0.938 51.202 52.037 0.172 0.000 0.798 410 A CB -0.375 18.824 19.000 0.331 0.000 1.073 410 A HN 0.241 nan 8.150 nan 0.000 0.502 411 P HA 0.023 nan 4.420 nan 0.000 0.259 411 P C -0.580 176.797 177.300 0.128 0.000 1.163 411 P CA 0.822 63.906 63.100 -0.027 0.000 0.760 411 P CB 0.163 31.688 31.700 -0.292 0.000 0.762 412 E N 2.442 122.689 120.200 0.078 0.000 2.222 412 E HA 0.302 4.652 4.350 0.001 0.000 0.272 412 E C 0.000 176.618 176.600 0.029 0.000 0.982 412 E CA -0.876 55.588 56.400 0.107 0.000 0.842 412 E CB 0.670 30.404 29.700 0.057 0.000 1.144 412 E HN 0.576 nan 8.360 nan 0.000 0.397 413 H N -0.698 118.425 119.070 0.089 0.000 2.551 413 H HA 0.131 4.687 4.556 0.001 0.000 0.358 413 H C -0.542 174.808 175.328 0.036 0.000 1.151 413 H CA -0.715 55.347 56.048 0.022 0.000 1.374 413 H CB 0.770 30.566 29.762 0.057 0.000 1.473 413 H HN 0.422 nan 8.280 nan 0.000 0.574 414 Q N 3.646 123.638 119.800 0.321 0.000 2.509 414 Q HA 0.197 4.538 4.340 0.001 0.000 0.236 414 Q C -1.864 174.269 176.000 0.222 0.000 1.073 414 Q CA -2.253 53.677 55.803 0.211 0.000 0.867 414 Q CB 0.825 29.612 28.738 0.081 0.000 1.181 414 Q HN 0.660 nan 8.270 nan 0.000 0.526 415 P HA -0.122 nan 4.420 nan 0.000 0.227 415 P C 0.196 177.540 177.300 0.073 0.000 1.145 415 P CA 0.913 64.105 63.100 0.155 0.000 0.769 415 P CB 0.331 32.180 31.700 0.248 0.000 0.769 416 S N -0.946 114.795 115.700 0.068 0.000 2.631 416 S HA 0.349 4.820 4.470 0.001 0.000 0.217 416 S C 1.514 176.126 174.600 0.020 0.000 0.958 416 S CA 0.280 58.502 58.200 0.037 0.000 0.920 416 S CB 0.043 63.264 63.200 0.034 0.000 0.776 416 S HN 0.218 nan 8.310 nan 0.000 0.517 417 A N 0.649 123.480 122.820 0.018 0.000 2.603 417 A HA 0.506 4.826 4.320 0.001 0.000 0.277 417 A C 0.274 177.857 177.584 -0.001 0.000 1.158 417 A CA -0.443 51.595 52.037 0.002 0.000 0.962 417 A CB 0.015 19.011 19.000 -0.006 0.000 1.189 417 A HN 0.377 nan 8.150 nan 0.000 0.552 418 L N 1.622 122.845 121.223 -0.001 0.000 2.514 418 L HA 0.103 4.444 4.340 0.001 0.000 0.280 418 L C 0.225 177.106 176.870 0.019 0.000 1.223 418 L CA -0.160 54.676 54.840 -0.007 0.000 0.864 418 L CB 0.311 42.361 42.059 -0.016 0.000 1.118 418 L HN 0.317 nan 8.230 nan 0.000 0.494 419 E N 1.893 122.106 120.200 0.021 0.000 2.437 419 E HA -0.064 4.287 4.350 0.001 0.000 0.263 419 E C -0.016 176.631 176.600 0.077 0.000 1.030 419 E CA 0.144 56.577 56.400 0.055 0.000 0.934 419 E CB 0.107 29.835 29.700 0.047 0.000 0.943 419 E HN 0.356 nan 8.360 nan 0.000 0.444 420 H N 3.503 122.597 119.070 0.039 0.000 2.929 420 H HA 0.025 4.581 4.556 0.001 0.000 0.317 420 H C 0.010 175.367 175.328 0.049 0.000 1.031 420 H CA -0.283 55.787 56.048 0.037 0.000 1.466 420 H CB 0.509 30.301 29.762 0.049 0.000 1.482 420 H HN 0.404 nan 8.280 nan 0.000 0.561 421 R N 4.536 124.689 120.500 -0.580 0.000 2.401 421 R HA 0.123 4.464 4.340 0.001 0.000 0.299 421 R C -0.973 174.936 176.300 -0.651 0.000 1.064 421 R CA 0.097 55.922 56.100 -0.459 0.000 1.000 421 R CB 0.392 30.549 30.300 -0.237 0.000 0.973 421 R HN 0.675 nan 8.270 nan 0.000 0.438 422 T N 3.051 117.439 114.554 -0.276 0.000 2.903 422 T HA 0.208 4.558 4.350 0.001 0.000 0.299 422 T C -1.434 173.184 174.700 -0.136 0.000 1.093 422 T CA -0.641 61.345 62.100 -0.190 0.000 1.002 422 T CB 1.360 70.203 68.868 -0.043 0.000 1.127 422 T HN 0.667 nan 8.240 nan 0.000 0.488 423 H N 0.460 119.339 119.070 -0.319 0.000 2.467 423 H HA 0.610 5.167 4.556 0.001 0.000 0.326 423 H C -1.549 173.501 175.328 -0.463 0.000 1.094 423 H CA -0.631 55.271 56.048 -0.243 0.000 1.253 423 H CB 0.391 30.061 29.762 -0.152 0.000 1.439 423 H HN 0.438 nan 8.280 nan 0.000 0.479 424 F N 3.106 122.865 119.950 -0.317 0.000 2.496 424 F HA 0.279 4.806 4.527 0.001 0.000 0.341 424 F C -0.195 175.481 175.800 -0.207 0.000 1.134 424 F CA -0.576 57.336 58.000 -0.146 0.000 0.968 424 F CB 1.873 40.816 39.000 -0.096 0.000 1.205 424 F HN 0.395 nan 8.300 nan 0.000 0.436 425 S N 2.791 118.557 115.700 0.109 0.000 2.473 425 S HA 0.928 5.399 4.470 0.001 0.000 0.307 425 S C -0.275 174.391 174.600 0.110 0.000 1.094 425 S CA -0.054 58.210 58.200 0.107 0.000 1.070 425 S CB 1.217 64.534 63.200 0.196 0.000 1.019 425 S HN 1.144 nan 8.310 nan 0.000 0.480 426 G N 3.629 112.486 108.800 0.096 0.000 2.350 426 G HA2 0.202 4.162 3.960 0.001 0.000 0.304 426 G HA3 0.202 4.162 3.960 0.001 0.000 0.304 426 G C -1.816 173.167 174.900 0.137 0.000 1.421 426 G CA -1.017 44.140 45.100 0.096 0.000 0.934 426 G HN 0.652 nan 8.290 nan 0.000 0.632 427 D N -0.859 119.663 120.400 0.202 0.000 2.382 427 D HA 0.372 5.013 4.640 0.001 0.000 0.240 427 D C 1.045 177.528 176.300 0.304 0.000 1.146 427 D CA 0.642 54.781 54.000 0.231 0.000 0.897 427 D CB 1.458 42.402 40.800 0.240 0.000 1.197 427 D HN 0.835 nan 8.370 nan 0.000 0.432 428 V N 0.167 120.165 119.914 0.140 0.000 2.320 428 V HA 0.456 4.577 4.120 0.001 0.000 0.265 428 V C -0.266 175.785 176.094 -0.072 0.000 1.048 428 V CA -0.294 62.052 62.300 0.077 0.000 0.865 428 V CB 0.333 32.168 31.823 0.020 0.000 1.043 428 V HN 0.438 nan 8.190 nan 0.000 0.474 429 Q N 3.334 122.958 119.800 -0.293 0.000 2.693 429 Q HA 0.572 4.912 4.340 0.001 0.000 0.306 429 Q C -0.914 174.625 176.000 -0.769 0.000 0.969 429 Q CA -1.128 54.290 55.803 -0.642 0.000 0.757 429 Q CB 2.769 30.954 28.738 -0.921 0.000 1.494 429 Q HN 0.803 nan 8.270 nan 0.000 0.459 430 R N 1.291 121.448 120.500 -0.571 0.000 2.825 430 R HA 0.295 4.635 4.340 0.001 0.000 0.261 430 R C -0.976 175.131 176.300 -0.322 0.000 1.341 430 R CA -0.220 55.685 56.100 -0.324 0.000 1.353 430 R CB -0.375 29.828 30.300 -0.161 0.000 1.191 430 R HN 0.196 nan 8.270 nan 0.000 0.590 431 F N 1.278 121.236 119.950 0.014 0.000 2.543 431 F HA 0.012 4.539 4.527 0.001 0.000 0.375 431 F C 1.251 177.068 175.800 0.029 0.000 1.075 431 F CA -0.638 57.376 58.000 0.024 0.000 1.225 431 F CB 0.111 39.130 39.000 0.030 0.000 1.099 431 F HN 0.322 nan 8.300 nan 0.000 0.561 432 N N 1.709 120.517 118.700 0.179 0.000 2.406 432 N HA 0.001 4.742 4.740 0.001 0.000 0.265 432 N C 0.497 176.080 175.510 0.122 0.000 1.203 432 N CA 0.065 53.185 53.050 0.118 0.000 0.945 432 N CB 0.595 39.132 38.487 0.084 0.000 1.165 432 N HN 0.572 nan 8.380 nan 0.000 0.485 433 S N 2.093 117.857 115.700 0.107 0.000 2.557 433 S HA 0.200 4.671 4.470 0.001 0.000 0.223 433 S C 1.589 176.233 174.600 0.073 0.000 0.969 433 S CA 0.002 58.261 58.200 0.097 0.000 0.927 433 S CB 0.145 63.404 63.200 0.100 0.000 0.806 433 S HN 0.489 nan 8.310 nan 0.000 0.489 434 A N 3.013 125.869 122.820 0.061 0.000 1.978 434 A HA -0.069 4.251 4.320 0.001 0.000 0.220 434 A C 1.628 179.233 177.584 0.034 0.000 1.170 434 A CA 1.415 53.476 52.037 0.039 0.000 0.636 434 A CB -0.739 18.279 19.000 0.030 0.000 0.810 434 A HN 0.764 nan 8.150 nan 0.000 0.448 435 N N 0.108 118.836 118.700 0.047 0.000 2.320 435 N HA 0.091 4.831 4.740 0.001 0.000 0.237 435 N C -0.928 174.621 175.510 0.065 0.000 1.129 435 N CA -0.187 52.891 53.050 0.046 0.000 0.854 435 N CB 0.321 38.835 38.487 0.045 0.000 1.083 435 N HN 0.186 nan 8.380 nan 0.000 0.504 436 D N 2.003 122.447 120.400 0.072 0.000 2.977 436 D HA -0.026 4.614 4.640 0.001 0.000 0.241 436 D C -0.323 176.043 176.300 0.110 0.000 1.206 436 D CA 0.646 54.707 54.000 0.102 0.000 0.902 436 D CB -0.640 40.222 40.800 0.104 0.000 1.131 436 D HN 0.188 nan 8.370 nan 0.000 0.447 437 D N 1.303 121.765 120.400 0.104 0.000 5.167 437 D HA -0.182 4.458 4.640 0.001 0.000 0.237 437 D C -0.561 175.761 176.300 0.036 0.000 1.278 437 D CA 0.336 54.400 54.000 0.107 0.000 1.266 437 D CB -0.278 40.666 40.800 0.239 0.000 0.704 437 D HN 0.245 nan 8.370 nan 0.000 0.350 438 N N 2.781 121.492 118.700 0.018 0.000 2.338 438 N HA 0.135 4.875 4.740 0.001 0.000 0.251 438 N C 1.146 176.647 175.510 -0.015 0.000 1.199 438 N CA 0.574 53.617 53.050 -0.013 0.000 0.879 438 N CB 1.091 39.557 38.487 -0.034 0.000 1.159 438 N HN 0.396 nan 8.380 nan 0.000 0.514 439 V N -4.154 115.767 119.914 0.011 0.000 3.629 439 V HA 0.114 4.234 4.120 0.001 0.000 0.194 439 V C 1.863 177.985 176.094 0.046 0.000 1.343 439 V CA 0.369 62.684 62.300 0.023 0.000 1.292 439 V CB -0.456 31.389 31.823 0.037 0.000 1.287 439 V HN -0.029 nan 8.190 nan 0.000 0.554 440 T N 0.892 115.499 114.554 0.088 0.000 2.360 440 T HA -0.481 3.870 4.350 0.001 0.000 0.226 440 T C 1.797 176.560 174.700 0.106 0.000 1.465 440 T CA 3.288 65.470 62.100 0.137 0.000 1.117 440 T CB -0.868 68.162 68.868 0.270 0.000 0.844 440 T HN 0.622 nan 8.240 nan 0.000 0.424 441 Q N 0.066 119.896 119.800 0.051 0.000 2.197 441 Q HA -0.132 4.209 4.340 0.001 0.000 0.207 441 Q C 2.417 178.400 176.000 -0.028 0.000 0.984 441 Q CA 1.331 57.187 55.803 0.089 0.000 0.869 441 Q CB -0.266 28.561 28.738 0.149 0.000 0.906 441 Q HN 0.474 nan 8.270 nan 0.000 0.426 442 V N 0.170 119.977 119.914 -0.179 0.000 2.307 442 V HA -0.272 3.848 4.120 0.001 0.000 0.245 442 V C 2.309 178.468 176.094 0.108 0.000 1.045 442 V CA 2.107 64.274 62.300 -0.222 0.000 1.024 442 V CB -0.651 31.107 31.823 -0.108 0.000 0.651 442 V HN 0.377 nan 8.190 nan 0.000 0.449 443 R N 0.878 121.454 120.500 0.128 0.000 2.096 443 R HA -0.223 4.117 4.340 0.001 0.000 0.240 443 R C 2.393 178.795 176.300 0.170 0.000 1.139 443 R CA 2.376 58.585 56.100 0.183 0.000 0.952 443 R CB -0.665 29.739 30.300 0.174 0.000 0.854 443 R HN 0.689 nan 8.270 nan 0.000 0.436 444 T N -1.865 112.776 114.554 0.145 0.000 3.007 444 T HA -0.140 4.210 4.350 0.001 0.000 0.270 444 T C 1.523 176.297 174.700 0.123 0.000 1.107 444 T CA 0.915 63.088 62.100 0.121 0.000 1.118 444 T CB -0.341 68.606 68.868 0.132 0.000 0.889 444 T HN 0.353 nan 8.240 nan 0.000 0.506 445 F N 0.551 120.510 119.950 0.016 0.000 2.219 445 F HA 0.167 4.694 4.527 0.001 0.000 0.294 445 F C 1.912 177.689 175.800 -0.040 0.000 1.086 445 F CA -0.438 57.554 58.000 -0.014 0.000 1.330 445 F CB -0.540 38.452 39.000 -0.013 0.000 1.047 445 F HN 0.127 nan 8.300 nan 0.000 0.495 446 Y N 2.001 122.127 120.300 -0.290 0.000 2.118 446 Y HA -0.062 4.488 4.550 0.001 0.000 0.260 446 Y C 0.780 176.423 175.900 -0.429 0.000 1.087 446 Y CA 1.842 59.664 58.100 -0.463 0.000 1.075 446 Y CB -1.027 37.219 38.460 -0.356 0.000 0.995 446 Y HN -0.015 nan 8.280 nan 0.000 0.475 447 L N 0.811 121.889 121.223 -0.242 0.000 2.384 447 L HA 0.410 4.751 4.340 0.001 0.000 0.258 447 L C 0.138 176.898 176.870 -0.183 0.000 1.266 447 L CA 0.345 54.999 54.840 -0.310 0.000 1.162 447 L CB 0.138 42.076 42.059 -0.202 0.000 1.375 447 L HN 0.350 nan 8.230 nan 0.000 0.420 448 K N 0.285 120.545 120.400 -0.233 0.000 2.789 448 K HA 0.073 4.393 4.320 0.001 0.000 0.247 448 K C 1.140 177.636 176.600 -0.174 0.000 2.771 448 K CA 0.792 56.992 56.287 -0.146 0.000 1.498 448 K CB -0.607 31.859 32.500 -0.056 0.000 3.011 448 K HN -0.027 nan 8.250 nan 0.000 0.381 449 V N 2.232 122.019 119.914 -0.212 0.000 2.548 449 V HA 0.126 4.246 4.120 0.001 0.000 0.249 449 V C 1.022 176.908 176.094 -0.347 0.000 1.055 449 V CA 1.156 63.328 62.300 -0.213 0.000 1.065 449 V CB -0.289 31.476 31.823 -0.097 0.000 0.681 449 V HN 0.162 nan 8.190 nan 0.000 0.462 450 L N 1.176 122.071 121.223 -0.546 0.000 2.360 450 L HA 0.381 4.721 4.340 0.001 0.000 0.271 450 L C -0.055 176.579 176.870 -0.393 0.000 1.057 450 L CA -0.508 54.019 54.840 -0.522 0.000 0.803 450 L CB 1.287 42.910 42.059 -0.727 0.000 1.207 450 L HN 0.379 nan 8.230 nan 0.000 0.445 451 N N -0.427 118.092 118.700 -0.302 0.000 2.456 451 N HA 0.091 4.831 4.740 0.001 0.000 0.296 451 N C 0.435 175.782 175.510 -0.273 0.000 1.102 451 N CA -0.696 52.204 53.050 -0.250 0.000 0.924 451 N CB 1.133 39.517 38.487 -0.170 0.000 1.186 451 N HN 0.545 nan 8.380 nan 0.000 0.492 452 E N 0.592 120.637 120.200 -0.259 0.000 2.136 452 E HA -0.347 4.004 4.350 0.001 0.000 0.208 452 E C 1.192 177.676 176.600 -0.194 0.000 1.035 452 E CA 1.666 57.918 56.400 -0.248 0.000 0.838 452 E CB -0.212 29.377 29.700 -0.185 0.000 0.748 452 E HN 0.695 nan 8.360 nan 0.000 0.459 453 E N 0.206 120.316 120.200 -0.151 0.000 2.033 453 E HA -0.246 4.104 4.350 0.001 0.000 0.199 453 E C 2.054 178.585 176.600 -0.116 0.000 1.011 453 E CA 2.049 58.382 56.400 -0.113 0.000 0.815 453 E CB -0.332 29.312 29.700 -0.093 0.000 0.755 453 E HN 0.748 nan 8.360 nan 0.000 0.451 454 Q N -0.403 119.313 119.800 -0.139 0.000 2.432 454 Q HA 0.002 4.343 4.340 0.001 0.000 0.205 454 Q C 2.081 177.979 176.000 -0.171 0.000 0.945 454 Q CA 0.385 56.110 55.803 -0.130 0.000 0.924 454 Q CB -0.119 28.540 28.738 -0.132 0.000 1.016 454 Q HN 0.058 nan 8.270 nan 0.000 0.503 455 R N 1.335 121.685 120.500 -0.251 0.000 2.092 455 R HA -0.072 4.269 4.340 0.001 0.000 0.231 455 R C 2.134 178.319 176.300 -0.192 0.000 1.119 455 R CA 1.418 57.312 56.100 -0.345 0.000 0.970 455 R CB 0.120 30.092 30.300 -0.547 0.000 0.864 455 R HN 0.229 nan 8.270 nan 0.000 0.440 456 K N 0.175 120.493 120.400 -0.136 0.000 2.031 456 K HA -0.138 4.183 4.320 0.001 0.000 0.205 456 K C 2.111 178.698 176.600 -0.020 0.000 1.049 456 K CA 1.056 57.304 56.287 -0.065 0.000 0.939 456 K CB -0.016 32.447 32.500 -0.060 0.000 0.717 456 K HN -0.046 nan 8.250 nan 0.000 0.438 457 R N 0.657 121.144 120.500 -0.022 0.000 2.170 457 R HA -0.168 4.172 4.340 0.001 0.000 0.242 457 R C 2.278 178.616 176.300 0.063 0.000 1.145 457 R CA 1.400 57.512 56.100 0.020 0.000 0.984 457 R CB -0.274 30.030 30.300 0.007 0.000 0.869 457 R HN 0.258 nan 8.270 nan 0.000 0.455 458 L N -0.466 120.784 121.223 0.046 0.000 1.993 458 L HA -0.142 4.198 4.340 0.001 0.000 0.206 458 L C 1.966 178.905 176.870 0.116 0.000 1.074 458 L CA 1.780 56.688 54.840 0.113 0.000 0.746 458 L CB -1.008 41.096 42.059 0.076 0.000 0.896 458 L HN 0.134 nan 8.230 nan 0.000 0.435 459 C N 0.473 119.810 119.300 0.063 0.000 2.403 459 C HA -0.160 4.301 4.460 0.001 0.000 0.282 459 C C 2.588 177.593 174.990 0.025 0.000 1.297 459 C CA 1.245 60.280 59.018 0.029 0.000 1.785 459 C CB -1.160 26.604 27.740 0.040 0.000 1.963 459 C HN 0.640 nan 8.230 nan 0.000 0.507 460 E N 0.449 120.693 120.200 0.073 0.000 2.021 460 E HA -0.134 4.217 4.350 0.001 0.000 0.189 460 E C 1.812 178.516 176.600 0.173 0.000 0.980 460 E CA 0.971 57.442 56.400 0.118 0.000 0.803 460 E CB -0.428 29.336 29.700 0.106 0.000 0.766 460 E HN 0.715 nan 8.360 nan 0.000 0.449 461 N N 1.015 119.847 118.700 0.220 0.000 2.091 461 N HA -0.206 4.534 4.740 0.001 0.000 0.193 461 N C 2.044 177.792 175.510 0.397 0.000 1.021 461 N CA 1.038 54.317 53.050 0.381 0.000 0.862 461 N CB -0.186 38.595 38.487 0.489 0.000 1.018 461 N HN 0.089 nan 8.380 nan 0.000 0.429 462 I N 1.188 121.799 120.570 0.069 0.000 2.113 462 I HA -0.266 3.904 4.170 0.001 0.000 0.238 462 I C 2.559 178.509 176.117 -0.279 0.000 1.070 462 I CA 0.992 62.043 61.300 -0.415 0.000 1.332 462 I CB -0.426 37.283 38.000 -0.484 0.000 1.044 462 I HN 0.156 nan 8.210 nan 0.000 0.402 463 A N 0.844 123.548 122.820 -0.193 0.000 1.986 463 A HA -0.203 4.118 4.320 0.001 0.000 0.220 463 A C 2.356 179.716 177.584 -0.372 0.000 1.171 463 A CA 1.998 53.905 52.037 -0.218 0.000 0.640 463 A CB -1.521 17.481 19.000 0.003 0.000 0.811 463 A HN 0.533 nan 8.150 nan 0.000 0.451 464 G N -2.429 106.273 108.800 -0.164 0.000 2.498 464 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 464 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 464 G C 1.516 176.336 174.900 -0.133 0.000 1.119 464 G CA 1.216 46.163 45.100 -0.256 0.000 0.766 464 G HN 0.722 nan 8.290 nan 0.000 0.552 465 H N -0.549 118.491 119.070 -0.049 0.000 2.393 465 H HA 0.247 4.803 4.556 0.001 0.000 0.301 465 H C 2.335 177.628 175.328 -0.059 0.000 1.019 465 H CA -0.041 56.104 56.048 0.162 0.000 1.311 465 H CB 0.004 30.156 29.762 0.648 0.000 1.475 465 H HN 0.180 nan 8.280 nan 0.000 0.572 466 L N 2.245 123.252 121.223 -0.360 0.000 2.263 466 L HA -0.208 4.133 4.340 0.001 0.000 0.216 466 L C 2.543 179.120 176.870 -0.488 0.000 1.111 466 L CA 1.630 55.927 54.840 -0.905 0.000 0.773 466 L CB -0.211 41.194 42.059 -1.090 0.000 0.906 466 L HN 0.370 nan 8.230 nan 0.000 0.439 467 K N -1.264 118.882 120.400 -0.424 0.000 2.097 467 K HA -0.201 4.120 4.320 0.001 0.000 0.206 467 K C 1.273 177.724 176.600 -0.247 0.000 1.049 467 K CA 1.742 57.810 56.287 -0.366 0.000 0.933 467 K CB -0.329 31.814 32.500 -0.596 0.000 0.717 467 K HN 0.253 nan 8.250 nan 0.000 0.442 468 D N 1.307 121.564 120.400 -0.238 0.000 2.348 468 D HA 0.035 4.675 4.640 0.001 0.000 0.216 468 D C 0.560 176.793 176.300 -0.111 0.000 0.970 468 D CA 0.753 54.656 54.000 -0.162 0.000 0.889 468 D CB 0.099 40.786 40.800 -0.189 0.000 0.912 468 D HN 0.442 nan 8.370 nan 0.000 0.524 469 A N 0.565 123.313 122.820 -0.120 0.000 2.304 469 A HA 0.198 4.518 4.320 0.001 0.000 0.271 469 A C 0.522 178.023 177.584 -0.138 0.000 1.091 469 A CA -0.412 51.569 52.037 -0.092 0.000 0.812 469 A CB 0.561 19.520 19.000 -0.067 0.000 1.056 469 A HN -0.013 nan 8.150 nan 0.000 0.489 470 Q N 0.053 119.755 119.800 -0.163 0.000 2.386 470 Q HA 0.048 4.389 4.340 0.001 0.000 0.282 470 Q C 0.943 176.824 176.000 -0.198 0.000 1.050 470 Q CA -0.059 55.664 55.803 -0.133 0.000 0.918 470 Q CB 0.459 29.161 28.738 -0.059 0.000 1.266 470 Q HN 0.735 nan 8.270 nan 0.000 0.423 471 L N 2.278 123.468 121.223 -0.055 0.000 2.043 471 L HA -0.267 4.074 4.340 0.001 0.000 0.212 471 L C 2.142 178.993 176.870 -0.031 0.000 1.075 471 L CA 1.600 56.418 54.840 -0.037 0.000 0.752 471 L CB -0.383 41.693 42.059 0.027 0.000 0.891 471 L HN 0.800 nan 8.230 nan 0.000 0.432 472 F N -0.908 119.045 119.950 0.005 0.000 2.307 472 F HA -0.208 4.319 4.527 0.001 0.000 0.301 472 F C 2.013 177.825 175.800 0.020 0.000 1.076 472 F CA 1.205 59.211 58.000 0.011 0.000 1.383 472 F CB -0.536 38.473 39.000 0.014 0.000 1.055 472 F HN -0.042 nan 8.300 nan 0.000 0.526 473 I N 0.482 120.505 120.570 -0.912 0.000 2.339 473 I HA -0.195 3.976 4.170 0.001 0.000 0.245 473 I C 2.496 178.459 176.117 -0.256 0.000 1.096 473 I CA 0.987 61.870 61.300 -0.695 0.000 1.408 473 I CB -0.535 37.029 38.000 -0.728 0.000 1.092 473 I HN 0.219 nan 8.210 nan 0.000 0.423 474 Q N 0.858 120.522 119.800 -0.228 0.000 2.112 474 Q HA -0.262 4.078 4.340 0.001 0.000 0.206 474 Q C 2.137 178.080 176.000 -0.094 0.000 0.987 474 Q CA 1.655 57.356 55.803 -0.171 0.000 0.858 474 Q CB -0.142 28.499 28.738 -0.162 0.000 0.905 474 Q HN 0.473 nan 8.270 nan 0.000 0.420 475 K N 0.897 121.266 120.400 -0.052 0.000 1.973 475 K HA -0.185 4.135 4.320 0.001 0.000 0.212 475 K C 2.102 178.700 176.600 -0.003 0.000 1.047 475 K CA 1.329 57.610 56.287 -0.011 0.000 0.937 475 K CB -0.179 32.334 32.500 0.023 0.000 0.721 475 K HN -0.063 nan 8.250 nan 0.000 0.440 476 K N 0.852 121.260 120.400 0.013 0.000 2.127 476 K HA -0.220 4.100 4.320 0.001 0.000 0.208 476 K C 1.909 178.499 176.600 -0.018 0.000 1.047 476 K CA 1.522 57.819 56.287 0.016 0.000 0.927 476 K CB -0.228 32.306 32.500 0.055 0.000 0.716 476 K HN 0.257 nan 8.250 nan 0.000 0.450 477 A N -0.106 122.704 122.820 -0.017 0.000 1.845 477 A HA -0.134 4.186 4.320 0.001 0.000 0.215 477 A C 2.280 179.857 177.584 -0.013 0.000 1.195 477 A CA 1.860 53.881 52.037 -0.026 0.000 0.616 477 A CB -0.887 18.107 19.000 -0.010 0.000 0.832 477 A HN 0.121 nan 8.150 nan 0.000 0.443 478 V N 0.693 120.649 119.914 0.071 0.000 2.255 478 V HA -0.317 3.803 4.120 0.001 0.000 0.247 478 V C 2.569 178.686 176.094 0.038 0.000 1.051 478 V CA 2.679 65.059 62.300 0.132 0.000 1.018 478 V CB -0.795 31.047 31.823 0.031 0.000 0.641 478 V HN 0.737 nan 8.190 nan 0.000 0.445 479 K N 1.452 121.845 120.400 -0.011 0.000 2.066 479 K HA -0.297 4.024 4.320 0.001 0.000 0.221 479 K C 1.714 178.269 176.600 -0.075 0.000 1.056 479 K CA 2.648 58.916 56.287 -0.032 0.000 0.950 479 K CB -0.825 31.660 32.500 -0.026 0.000 0.726 479 K HN 0.551 nan 8.250 nan 0.000 0.456 480 N N -0.188 118.422 118.700 -0.149 0.000 2.036 480 N HA -0.169 4.572 4.740 0.001 0.000 0.195 480 N C 1.834 177.176 175.510 -0.279 0.000 1.037 480 N CA 1.824 54.730 53.050 -0.239 0.000 0.855 480 N CB -0.694 37.573 38.487 -0.367 0.000 1.033 480 N HN 0.189 nan 8.380 nan 0.000 0.423 481 F N 1.627 121.399 119.950 -0.296 0.000 2.095 481 F HA -0.111 4.417 4.527 0.001 0.000 0.298 481 F C 2.655 178.217 175.800 -0.397 0.000 1.104 481 F CA 0.860 58.508 58.000 -0.586 0.000 1.232 481 F CB -0.943 37.590 39.000 -0.777 0.000 0.987 481 F HN -0.045 nan 8.300 nan 0.000 0.475 482 S N -0.099 115.584 115.700 -0.028 0.000 2.372 482 S HA -0.243 4.228 4.470 0.001 0.000 0.227 482 S C 1.689 176.280 174.600 -0.014 0.000 1.044 482 S CA 1.729 59.923 58.200 -0.010 0.000 1.050 482 S CB -0.561 62.633 63.200 -0.010 0.000 0.901 482 S HN 0.403 nan 8.310 nan 0.000 0.447 483 D N 0.630 121.009 120.400 -0.035 0.000 2.265 483 D HA -0.063 4.577 4.640 0.001 0.000 0.208 483 D C 1.825 178.130 176.300 0.009 0.000 0.977 483 D CA 0.706 54.693 54.000 -0.023 0.000 0.871 483 D CB -0.175 40.603 40.800 -0.038 0.000 0.925 483 D HN 0.270 nan 8.370 nan 0.000 0.485 484 V N -0.475 119.453 119.914 0.025 0.000 2.591 484 V HA -0.059 4.062 4.120 0.001 0.000 0.249 484 V C 0.809 177.027 176.094 0.206 0.000 1.053 484 V CA 0.875 63.241 62.300 0.110 0.000 1.068 484 V CB -0.136 31.788 31.823 0.169 0.000 0.689 484 V HN 0.333 nan 8.190 nan 0.000 0.462 485 H N -2.086 117.017 119.070 0.055 0.000 3.091 485 H HA 0.112 4.669 4.556 0.001 0.000 0.298 485 H C -2.713 172.651 175.328 0.059 0.000 1.313 485 H CA -0.729 55.355 56.048 0.060 0.000 1.638 485 H CB 1.936 31.733 29.762 0.058 0.000 2.329 485 H HN -0.121 nan 8.280 nan 0.000 0.409 486 P HA -0.175 nan 4.420 nan 0.000 0.214 486 P C 1.120 178.535 177.300 0.192 0.000 1.169 486 P CA 1.765 64.864 63.100 -0.003 0.000 0.908 486 P CB 0.264 31.901 31.700 -0.105 0.000 0.791 487 E N -2.239 118.199 120.200 0.398 0.000 2.333 487 E HA -0.246 4.104 4.350 0.001 0.000 0.200 487 E C 1.816 178.625 176.600 0.349 0.000 1.010 487 E CA 0.832 57.467 56.400 0.391 0.000 0.841 487 E CB -0.568 29.412 29.700 0.467 0.000 0.757 487 E HN 0.352 nan 8.360 nan 0.000 0.508 488 Y N 1.313 121.693 120.300 0.133 0.000 2.109 488 Y HA -0.008 4.542 4.550 0.001 0.000 0.281 488 Y C 2.535 178.354 175.900 -0.134 0.000 1.113 488 Y CA 1.595 59.557 58.100 -0.231 0.000 1.098 488 Y CB -0.976 37.126 38.460 -0.597 0.000 0.996 488 Y HN -0.058 nan 8.280 nan 0.000 0.485 489 G N -0.980 107.865 108.800 0.075 0.000 2.448 489 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 489 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 489 G C 1.881 176.785 174.900 0.005 0.000 1.127 489 G CA 1.084 46.161 45.100 -0.038 0.000 0.766 489 G HN 0.449 nan 8.290 nan 0.000 0.552 490 S N -0.014 115.722 115.700 0.061 0.000 2.355 490 S HA -0.047 4.424 4.470 0.001 0.000 0.222 490 S C 2.436 177.061 174.600 0.043 0.000 1.031 490 S CA 0.785 59.015 58.200 0.050 0.000 0.993 490 S CB -0.166 63.076 63.200 0.070 0.000 0.859 490 S HN 0.392 nan 8.310 nan 0.000 0.453 491 R N 0.591 121.135 120.500 0.074 0.000 2.080 491 R HA -0.061 4.280 4.340 0.001 0.000 0.236 491 R C 2.263 178.572 176.300 0.015 0.000 1.137 491 R CA 1.567 57.700 56.100 0.056 0.000 0.943 491 R CB -0.631 29.725 30.300 0.093 0.000 0.846 491 R HN 0.400 nan 8.270 nan 0.000 0.431 492 I N 0.543 121.100 120.570 -0.022 0.000 2.127 492 I HA -0.330 3.840 4.170 0.001 0.000 0.241 492 I C 2.711 178.787 176.117 -0.069 0.000 1.075 492 I CA 1.372 62.610 61.300 -0.102 0.000 1.334 492 I CB -0.400 37.422 38.000 -0.297 0.000 1.040 492 I HN 0.175 nan 8.210 nan 0.000 0.405 493 Q N 1.341 121.107 119.800 -0.055 0.000 2.096 493 Q HA -0.253 4.088 4.340 0.001 0.000 0.208 493 Q C 2.122 178.117 176.000 -0.008 0.000 0.993 493 Q CA 2.603 58.386 55.803 -0.033 0.000 0.862 493 Q CB -0.472 28.256 28.738 -0.017 0.000 0.915 493 Q HN 0.505 nan 8.270 nan 0.000 0.416 494 A N 0.434 123.255 122.820 0.002 0.000 1.859 494 A HA -0.231 4.089 4.320 0.001 0.000 0.218 494 A C 1.983 179.579 177.584 0.020 0.000 1.209 494 A CA 1.867 53.909 52.037 0.009 0.000 0.639 494 A CB -1.136 17.869 19.000 0.008 0.000 0.835 494 A HN 0.477 nan 8.150 nan 0.000 0.450 495 L N -0.462 120.781 121.223 0.034 0.000 2.021 495 L HA -0.236 4.105 4.340 0.001 0.000 0.215 495 L C 2.669 179.653 176.870 0.190 0.000 1.074 495 L CA 1.860 56.754 54.840 0.090 0.000 0.760 495 L CB -1.635 40.507 42.059 0.137 0.000 0.889 495 L HN 0.446 nan 8.230 nan 0.000 0.433 496 L N -0.606 120.688 121.223 0.119 0.000 1.970 496 L HA -0.276 4.065 4.340 0.001 0.000 0.212 496 L C 2.372 179.297 176.870 0.091 0.000 1.071 496 L CA 1.551 56.444 54.840 0.088 0.000 0.751 496 L CB -0.799 41.243 42.059 -0.029 0.000 0.889 496 L HN 0.294 nan 8.230 nan 0.000 0.432 497 D N 0.192 120.618 120.400 0.044 0.000 2.149 497 D HA -0.240 4.401 4.640 0.001 0.000 0.194 497 D C 2.124 178.445 176.300 0.035 0.000 1.001 497 D CA 1.487 55.505 54.000 0.029 0.000 0.849 497 D CB -0.284 40.524 40.800 0.013 0.000 0.939 497 D HN 0.326 nan 8.370 nan 0.000 0.449 498 K N 0.500 120.918 120.400 0.030 0.000 2.062 498 K HA -0.157 4.163 4.320 0.001 0.000 0.205 498 K C 2.054 178.661 176.600 0.011 0.000 1.051 498 K CA 0.729 57.011 56.287 -0.009 0.000 0.941 498 K CB -0.693 31.770 32.500 -0.062 0.000 0.719 498 K HN 0.139 nan 8.250 nan 0.000 0.440 499 Y N 1.922 122.207 120.300 -0.026 0.000 2.274 499 Y HA -0.090 4.461 4.550 0.001 0.000 0.290 499 Y C 1.420 177.305 175.900 -0.026 0.000 1.145 499 Y CA 1.539 59.624 58.100 -0.025 0.000 1.203 499 Y CB -0.330 38.109 38.460 -0.036 0.000 0.984 499 Y HN 0.228 nan 8.280 nan 0.000 0.533 500 N N 0.865 119.652 118.700 0.145 0.000 2.421 500 N HA -0.019 4.722 4.740 0.001 0.000 0.201 500 N C -0.429 175.107 175.510 0.043 0.000 1.198 500 N CA 0.398 53.489 53.050 0.068 0.000 0.838 500 N CB -0.260 38.249 38.487 0.037 0.000 1.011 500 N HN 0.112 nan 8.380 nan 0.000 0.463 501 E N 0.000 120.225 120.200 0.042 0.000 2.725 501 E HA 0.000 4.351 4.350 0.001 0.000 0.291 501 E CA 0.000 56.412 56.400 0.020 0.000 0.976 501 E CB 0.000 29.712 29.700 0.020 0.000 0.812 501 E HN 0.000 nan 8.360 nan 0.000 0.440