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 2isa_1_E DATA FIRST_RESID 3 DATA SEQUENCE SKKLTTAAGC PVAHNQNVQT AGKRGPQLLQ DVWFLEKLAH FDREVIPERR DATA SEQUENCE XHAKGSGAYG TFTVTHDITK YTKAKIFSDI GKKTDMFARF STVAGERGAA DATA SEQUENCE DAERDIRGFS LKFYTEEGNW DLAGNNTPVF FLRDPLKFPD LNHAVKRDPR DATA SEQUENCE TNMRSAKNNW DFWTSLPEAL HQVTIVMSDR GIPATYRHMH GFGSHTFSFI DATA SEQUENCE NSDNERYWVK FHFVSQQGIK NLSDAEAGEL VGNDRESHQR DLLDSIDNQD DATA SEQUENCE FPKWTLKVQI MPEADAATVP YNPFDLTKVW PHKDYPLIEV GEFELNRNPQ DATA SEQUENCE NYFAEVEQAA FNPANVVPGI SFSPDKMLQG RLFAYGDAQR YRLGVNHQHI DATA SEQUENCE PVNAPRCPVH SYHRDGAMRV DGNFGSTLGY EPNDQGQWAE QPDFSEPPLN DATA SEQUENCE LDGAAAHWDH REDEDYFSQP GDLFGLMTAE KQAILFDNTA RNLNGVPKEI DATA SEQUENCE QLRHVTHCYK ADPAYGEGIG KLLGFDISEY NS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.587 174.600 -0.021 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.021 0.000 1.107 3 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 4 K N 1.145 121.531 120.400 -0.024 0.000 2.358 4 K HA 0.226 4.546 4.320 -0.000 0.000 0.200 4 K C -0.196 176.381 176.600 -0.038 0.000 1.030 4 K CA -0.118 56.155 56.287 -0.023 0.000 1.097 4 K CB 0.271 32.761 32.500 -0.016 0.000 0.862 4 K HN 0.379 nan 8.250 nan 0.000 0.534 5 K N 1.699 122.070 120.400 -0.049 0.000 2.412 5 K HA 0.057 4.377 4.320 -0.000 0.000 0.281 5 K C -0.315 176.228 176.600 -0.095 0.000 1.027 5 K CA -0.376 55.867 56.287 -0.072 0.000 0.989 5 K CB 0.599 33.056 32.500 -0.073 0.000 0.935 5 K HN -0.091 nan 8.250 nan 0.000 0.475 6 L N 3.132 124.275 121.223 -0.133 0.000 2.349 6 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 6 L C 0.009 176.725 176.870 -0.256 0.000 1.115 6 L CA 0.638 55.365 54.840 -0.188 0.000 0.820 6 L CB 0.976 42.895 42.059 -0.234 0.000 1.135 6 L HN 0.838 nan 8.230 nan 0.000 0.445 7 T N 0.307 114.713 114.554 -0.245 0.000 2.907 7 T HA 0.677 5.027 4.350 -0.000 0.000 0.290 7 T C 0.189 174.719 174.700 -0.283 0.000 1.066 7 T CA -0.121 61.831 62.100 -0.247 0.000 1.012 7 T CB 1.142 69.933 68.868 -0.128 0.000 1.184 7 T HN 0.822 nan 8.240 nan 0.000 0.522 8 T N -1.051 113.388 114.554 -0.190 0.000 2.754 8 T HA 0.520 4.870 4.350 -0.000 0.000 0.286 8 T C 1.855 176.581 174.700 0.043 0.000 0.997 8 T CA -0.206 61.909 62.100 0.025 0.000 0.982 8 T CB 0.045 68.977 68.868 0.106 0.000 1.027 8 T HN 1.051 nan 8.240 nan 0.000 0.529 9 A N 0.335 123.202 122.820 0.078 0.000 2.019 9 A HA 0.257 4.577 4.320 -0.000 0.000 0.219 9 A C 2.428 180.035 177.584 0.038 0.000 1.164 9 A CA 1.442 53.499 52.037 0.035 0.000 0.644 9 A CB -1.326 17.694 19.000 0.033 0.000 0.805 9 A HN 1.228 nan 8.150 nan 0.000 0.449 10 A N -1.993 120.854 122.820 0.044 0.000 2.251 10 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 10 A C 1.695 179.285 177.584 0.009 0.000 1.187 10 A CA 1.113 53.168 52.037 0.031 0.000 0.823 10 A CB -0.738 18.286 19.000 0.040 0.000 0.846 10 A HN 1.822 nan 8.150 nan 0.000 0.486 11 G N -1.673 107.124 108.800 -0.005 0.000 2.141 11 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.242 11 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.242 11 G C 0.344 175.220 174.900 -0.041 0.000 0.982 11 G CA 0.138 45.222 45.100 -0.026 0.000 0.662 11 G HN 1.066 nan 8.290 nan 0.000 0.527 12 C N 1.935 121.211 119.300 -0.040 0.000 2.585 12 C HA 0.613 5.073 4.460 -0.000 0.000 0.406 12 C C -1.296 173.630 174.990 -0.107 0.000 1.312 12 C CA -1.741 57.245 59.018 -0.053 0.000 1.924 12 C CB 0.153 27.877 27.740 -0.026 0.000 2.578 12 C HN 0.380 nan 8.230 nan 0.000 0.580 13 P HA 0.089 nan 4.420 nan 0.000 0.266 13 P C -0.926 176.240 177.300 -0.222 0.000 1.195 13 P CA 0.273 63.278 63.100 -0.158 0.000 0.768 13 P CB 0.303 31.930 31.700 -0.122 0.000 0.838 14 V N 3.398 123.110 119.914 -0.336 0.000 2.333 14 V HA 0.289 4.409 4.120 -0.000 0.000 0.274 14 V C 1.242 177.122 176.094 -0.356 0.000 1.028 14 V CA 0.166 62.187 62.300 -0.465 0.000 0.851 14 V CB 0.560 31.814 31.823 -0.948 0.000 1.000 14 V HN 0.671 nan 8.190 nan 0.000 0.456 15 A N 3.820 126.455 122.820 -0.307 0.000 1.975 15 A HA 0.071 4.391 4.320 -0.000 0.000 0.215 15 A C 0.842 178.068 177.584 -0.597 0.000 1.170 15 A CA 0.884 52.653 52.037 -0.446 0.000 0.656 15 A CB 0.001 18.698 19.000 -0.505 0.000 0.821 15 A HN 0.795 nan 8.150 nan 0.000 0.449 16 H N -0.886 118.143 119.070 -0.069 0.000 2.991 16 H HA 0.252 4.807 4.556 -0.000 0.000 0.304 16 H C -0.737 174.641 175.328 0.083 0.000 1.040 16 H CA -0.381 55.675 56.048 0.013 0.000 1.410 16 H CB 0.961 30.756 29.762 0.054 0.000 1.529 16 H HN 0.384 nan 8.280 nan 0.000 0.509 17 N N 1.210 120.008 118.700 0.163 0.000 2.177 17 N HA -0.025 4.715 4.740 -0.000 0.000 0.218 17 N C 0.736 176.369 175.510 0.205 0.000 1.182 17 N CA 0.142 53.344 53.050 0.252 0.000 0.882 17 N CB 0.727 39.311 38.487 0.162 0.000 1.052 17 N HN 0.382 nan 8.380 nan 0.000 0.519 18 Q N -0.893 119.006 119.800 0.164 0.000 2.431 18 Q HA 0.322 4.662 4.340 -0.000 0.000 0.244 18 Q C -0.499 175.558 176.000 0.094 0.000 0.880 18 Q CA 0.462 56.332 55.803 0.111 0.000 0.954 18 Q CB 0.587 29.373 28.738 0.081 0.000 1.105 18 Q HN 0.215 nan 8.270 nan 0.000 0.558 19 N N 1.108 119.871 118.700 0.106 0.000 2.295 19 N HA 0.285 5.025 4.740 -0.000 0.000 0.293 19 N C -0.313 175.219 175.510 0.036 0.000 1.040 19 N CA -0.222 52.856 53.050 0.047 0.000 0.840 19 N CB 3.296 41.791 38.487 0.013 0.000 1.468 19 N HN -0.089 nan 8.380 nan 0.000 0.478 20 V N -0.171 119.736 119.914 -0.011 0.000 3.051 20 V HA 0.249 4.369 4.120 -0.000 0.000 0.306 20 V C 0.624 176.670 176.094 -0.081 0.000 1.083 20 V CA -0.583 61.685 62.300 -0.053 0.000 1.104 20 V CB 0.783 32.488 31.823 -0.197 0.000 1.027 20 V HN 0.621 nan 8.190 nan 0.000 0.483 21 Q N 1.710 121.464 119.800 -0.077 0.000 2.288 21 Q HA 0.479 4.819 4.340 -0.000 0.000 0.258 21 Q C -0.070 175.879 176.000 -0.086 0.000 0.957 21 Q CA -0.049 55.704 55.803 -0.084 0.000 0.919 21 Q CB 0.985 29.692 28.738 -0.052 0.000 1.185 21 Q HN 1.127 nan 8.270 nan 0.000 0.408 22 T N -0.606 113.901 114.554 -0.078 0.000 2.916 22 T HA 0.667 5.017 4.350 -0.000 0.000 0.292 22 T C -0.439 174.230 174.700 -0.052 0.000 1.055 22 T CA -0.895 61.163 62.100 -0.069 0.000 1.009 22 T CB 1.655 70.481 68.868 -0.070 0.000 1.118 22 T HN 0.522 nan 8.240 nan 0.000 0.497 23 A N 1.470 124.263 122.820 -0.044 0.000 2.906 23 A HA 0.652 4.972 4.320 -0.000 0.000 0.289 23 A C 1.259 178.825 177.584 -0.031 0.000 1.675 23 A CA 0.264 52.282 52.037 -0.033 0.000 1.372 23 A CB -1.714 17.270 19.000 -0.027 0.000 1.091 23 A HN 2.196 nan 8.150 nan 0.000 0.579 24 G N 1.269 110.050 108.800 -0.031 0.000 2.758 24 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 24 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 24 G C 0.537 175.418 174.900 -0.031 0.000 1.389 24 G CA -0.024 45.059 45.100 -0.028 0.000 0.845 24 G HN 0.627 nan 8.290 nan 0.000 0.572 25 K N -0.191 120.193 120.400 -0.027 0.000 2.107 25 K HA -0.165 4.155 4.320 -0.000 0.000 0.211 25 K C 1.955 178.538 176.600 -0.028 0.000 1.049 25 K CA 1.861 58.133 56.287 -0.026 0.000 0.927 25 K CB -0.095 32.393 32.500 -0.020 0.000 0.714 25 K HN 0.349 nan 8.250 nan 0.000 0.452 26 R N -0.032 120.452 120.500 -0.025 0.000 2.629 26 R HA 0.178 4.518 4.340 -0.000 0.000 0.386 26 R C 0.283 176.566 176.300 -0.028 0.000 1.071 26 R CA -0.040 56.044 56.100 -0.025 0.000 1.104 26 R CB 1.263 31.551 30.300 -0.020 0.000 1.370 26 R HN 0.108 nan 8.270 nan 0.000 0.574 27 G N 1.611 110.392 108.800 -0.032 0.000 2.511 27 G HA2 0.513 4.473 3.960 -0.000 0.000 0.316 27 G HA3 0.513 4.473 3.960 -0.000 0.000 0.316 27 G C -2.552 172.322 174.900 -0.043 0.000 1.210 27 G CA -1.011 44.069 45.100 -0.033 0.000 0.969 27 G HN -0.118 nan 8.290 nan 0.000 0.492 28 P HA 0.156 nan 4.420 nan 0.000 0.272 28 P C -0.314 176.945 177.300 -0.068 0.000 1.240 28 P CA -0.406 62.662 63.100 -0.053 0.000 0.791 28 P CB 0.572 32.248 31.700 -0.041 0.000 0.978 29 Q N 0.730 120.474 119.800 -0.094 0.000 2.340 29 Q HA 0.282 4.622 4.340 -0.000 0.000 0.249 29 Q C -0.939 175.007 176.000 -0.090 0.000 0.957 29 Q CA -0.343 55.385 55.803 -0.126 0.000 0.882 29 Q CB 0.244 28.852 28.738 -0.217 0.000 1.235 29 Q HN 0.361 nan 8.270 nan 0.000 0.439 30 L N 4.319 125.495 121.223 -0.078 0.000 2.307 30 L HA 0.131 4.471 4.340 -0.000 0.000 0.282 30 L C 0.992 177.850 176.870 -0.020 0.000 1.051 30 L CA -0.534 54.283 54.840 -0.039 0.000 0.804 30 L CB 1.028 43.071 42.059 -0.027 0.000 1.197 30 L HN 0.787 nan 8.230 nan 0.000 0.431 31 L N 2.954 124.179 121.223 0.004 0.000 2.187 31 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 31 L C 2.329 179.235 176.870 0.059 0.000 1.100 31 L CA 1.793 56.654 54.840 0.036 0.000 0.765 31 L CB -0.481 41.599 42.059 0.034 0.000 0.904 31 L HN 0.825 nan 8.230 nan 0.000 0.437 32 Q N -1.567 118.261 119.800 0.045 0.000 2.482 32 Q HA -0.088 4.252 4.340 -0.000 0.000 0.209 32 Q C 0.200 176.251 176.000 0.084 0.000 0.961 32 Q CA 0.331 56.169 55.803 0.059 0.000 0.945 32 Q CB -0.523 28.240 28.738 0.042 0.000 1.012 32 Q HN 0.358 nan 8.270 nan 0.000 0.515 33 D N 1.993 122.450 120.400 0.094 0.000 2.498 33 D HA -0.000 4.639 4.640 -0.000 0.000 0.229 33 D C 1.199 177.626 176.300 0.212 0.000 1.188 33 D CA -0.102 53.987 54.000 0.148 0.000 1.028 33 D CB 1.122 41.993 40.800 0.118 0.000 1.087 33 D HN 0.240 nan 8.370 nan 0.000 0.510 34 V N 2.218 122.249 119.914 0.194 0.000 2.667 34 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 34 V C 2.163 178.388 176.094 0.220 0.000 1.065 34 V CA 0.496 62.903 62.300 0.178 0.000 1.083 34 V CB -0.917 30.993 31.823 0.145 0.000 0.692 34 V HN 0.579 nan 8.190 nan 0.000 0.468 35 W N 0.646 122.003 121.300 0.094 0.000 2.358 35 W HA -0.245 4.415 4.660 -0.000 0.000 0.303 35 W C 2.286 178.853 176.519 0.081 0.000 1.208 35 W CA 1.725 59.113 57.345 0.073 0.000 1.274 35 W CB -0.358 29.146 29.460 0.075 0.000 1.138 35 W HN 0.395 nan 8.180 nan 0.000 0.515 36 F N 1.743 121.617 119.950 -0.127 0.000 2.069 36 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 36 F C 2.306 177.969 175.800 -0.228 0.000 1.113 36 F CA 2.536 60.392 58.000 -0.239 0.000 1.214 36 F CB -0.959 37.990 39.000 -0.085 0.000 0.978 36 F HN -0.225 nan 8.300 nan 0.000 0.474 37 L N 0.172 121.299 121.223 -0.160 0.000 2.012 37 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 37 L C 2.601 179.308 176.870 -0.271 0.000 1.073 37 L CA 2.108 56.822 54.840 -0.212 0.000 0.748 37 L CB -0.988 41.081 42.059 0.016 0.000 0.891 37 L HN 0.306 nan 8.230 nan 0.000 0.431 38 E N 0.646 120.723 120.200 -0.205 0.000 2.051 38 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 38 E C 2.279 178.712 176.600 -0.279 0.000 0.991 38 E CA 1.342 57.669 56.400 -0.123 0.000 0.799 38 E CB 0.040 29.736 29.700 -0.008 0.000 0.748 38 E HN 0.289 nan 8.360 nan 0.000 0.449 39 K N 0.105 120.061 120.400 -0.741 0.000 2.057 39 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 39 K C 2.175 178.517 176.600 -0.430 0.000 1.049 39 K CA 0.920 56.720 56.287 -0.810 0.000 0.931 39 K CB 0.033 31.727 32.500 -1.343 0.000 0.714 39 K HN 0.193 nan 8.250 nan 0.000 0.440 40 L N 0.548 121.447 121.223 -0.540 0.000 2.109 40 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 40 L C 2.498 179.289 176.870 -0.131 0.000 1.086 40 L CA 1.591 56.215 54.840 -0.361 0.000 0.760 40 L CB -1.200 40.452 42.059 -0.680 0.000 0.910 40 L HN 0.257 nan 8.230 nan 0.000 0.437 41 A N -1.367 121.353 122.820 -0.167 0.000 1.969 41 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 41 A C 2.093 179.625 177.584 -0.086 0.000 1.169 41 A CA 1.042 53.016 52.037 -0.104 0.000 0.635 41 A CB -0.645 18.290 19.000 -0.108 0.000 0.810 41 A HN 0.456 nan 8.150 nan 0.000 0.445 42 H N -2.385 116.619 119.070 -0.110 0.000 2.363 42 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 42 H C 2.004 177.298 175.328 -0.057 0.000 1.074 42 H CA 1.705 57.706 56.048 -0.079 0.000 1.354 42 H CB -0.344 29.376 29.762 -0.070 0.000 1.397 42 H HN 0.589 nan 8.280 nan 0.000 0.516 43 F N 2.701 122.619 119.950 -0.052 0.000 2.091 43 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 43 F C 1.755 177.499 175.800 -0.094 0.000 1.103 43 F CA 1.601 59.546 58.000 -0.092 0.000 1.228 43 F CB -0.314 38.611 39.000 -0.126 0.000 0.984 43 F HN 0.004 nan 8.300 nan 0.000 0.477 44 D N 0.005 120.300 120.400 -0.176 0.000 2.351 44 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 44 D C 1.692 177.841 176.300 -0.251 0.000 0.968 44 D CA 0.996 54.844 54.000 -0.254 0.000 0.899 44 D CB -0.249 40.489 40.800 -0.104 0.000 0.907 44 D HN 0.422 nan 8.370 nan 0.000 0.514 45 R N -0.161 120.204 120.500 -0.224 0.000 2.543 45 R HA 0.176 4.516 4.340 -0.000 0.000 0.323 45 R C 1.309 177.493 176.300 -0.193 0.000 1.002 45 R CA -0.123 55.865 56.100 -0.187 0.000 1.106 45 R CB 0.612 30.810 30.300 -0.171 0.000 1.280 45 R HN 0.115 nan 8.270 nan 0.000 0.549 46 E N 0.462 120.509 120.200 -0.256 0.000 2.153 46 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 46 E C 0.181 176.626 176.600 -0.259 0.000 0.988 46 E CA 0.891 57.119 56.400 -0.287 0.000 0.811 46 E CB 0.268 29.779 29.700 -0.314 0.000 0.746 46 E HN -0.001 nan 8.360 nan 0.000 0.466 47 V N 2.942 122.751 119.914 -0.176 0.000 2.509 47 V HA 0.209 4.329 4.120 -0.000 0.000 0.284 47 V C 0.351 176.436 176.094 -0.015 0.000 1.047 47 V CA -0.367 61.891 62.300 -0.071 0.000 0.952 47 V CB 0.905 32.681 31.823 -0.079 0.000 0.988 47 V HN 0.123 nan 8.190 nan 0.000 0.469 48 I N 2.635 123.250 120.570 0.075 0.000 2.910 48 I HA 0.748 4.918 4.170 -0.000 0.000 0.310 48 I C -2.573 173.548 176.117 0.007 0.000 1.043 48 I CA -2.815 58.502 61.300 0.028 0.000 1.053 48 I CB 1.852 39.893 38.000 0.069 0.000 1.242 48 I HN 0.356 nan 8.210 nan 0.000 0.452 49 P HA 0.099 nan 4.420 nan 0.000 0.268 49 P C -0.932 176.375 177.300 0.013 0.000 1.205 49 P CA -0.077 63.016 63.100 -0.013 0.000 0.771 49 P CB 0.422 32.101 31.700 -0.034 0.000 0.858 50 E N 2.684 122.910 120.200 0.044 0.000 2.392 50 E HA 0.157 4.507 4.350 -0.000 0.000 0.256 50 E C -0.458 176.173 176.600 0.053 0.000 1.145 50 E CA -0.784 55.649 56.400 0.054 0.000 0.929 50 E CB 0.549 30.290 29.700 0.068 0.000 0.998 50 E HN 0.256 nan 8.360 nan 0.000 0.442 51 R N 0.985 121.518 120.500 0.054 0.000 2.640 51 R HA 0.032 4.372 4.340 -0.000 0.000 0.270 51 R C 0.452 176.798 176.300 0.076 0.000 1.024 51 R CA -0.298 55.836 56.100 0.056 0.000 1.085 51 R CB 0.280 30.625 30.300 0.075 0.000 0.963 51 R HN 0.446 nan 8.270 nan 0.000 0.426 55 A N 0.867 123.781 122.820 0.157 0.000 2.019 55 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 55 A C 1.392 179.060 177.584 0.141 0.000 1.164 55 A CA 1.335 53.449 52.037 0.128 0.000 0.644 55 A CB 0.002 19.059 19.000 0.095 0.000 0.805 55 A HN 0.132 nan 8.150 nan 0.000 0.449 56 K N -0.205 120.281 120.400 0.143 0.000 2.293 56 K HA 0.548 4.868 4.320 -0.000 0.000 0.267 56 K C -0.131 176.589 176.600 0.201 0.000 1.010 56 K CA 0.538 56.921 56.287 0.160 0.000 0.875 56 K CB 0.953 33.527 32.500 0.123 0.000 1.106 56 K HN 0.300 nan 8.250 nan 0.000 0.450 57 G N 0.827 109.770 108.800 0.239 0.000 2.608 57 G HA2 0.552 4.512 3.960 -0.000 0.000 0.291 57 G HA3 0.552 4.512 3.960 -0.000 0.000 0.291 57 G C -1.512 173.567 174.900 0.298 0.000 1.425 57 G CA -0.753 44.478 45.100 0.218 0.000 0.787 57 G HN 0.475 nan 8.290 nan 0.000 0.484 58 S N -1.659 114.145 115.700 0.174 0.000 2.549 58 S HA 0.882 5.352 4.470 -0.000 0.000 0.280 58 S C -0.099 174.469 174.600 -0.053 0.000 1.109 58 S CA -0.208 58.133 58.200 0.236 0.000 0.905 58 S CB 1.997 65.428 63.200 0.385 0.000 1.081 58 S HN 1.403 nan 8.310 nan 0.000 0.477 59 G N 0.228 108.995 108.800 -0.056 0.000 2.619 59 G HA2 0.853 4.813 3.960 -0.000 0.000 0.296 59 G HA3 0.853 4.813 3.960 -0.000 0.000 0.296 59 G C -1.527 173.187 174.900 -0.310 0.000 1.334 59 G CA -0.650 44.204 45.100 -0.410 0.000 0.934 59 G HN 1.024 nan 8.290 nan 0.000 0.476 60 A N -0.185 122.256 122.820 -0.633 0.000 2.604 60 A HA 0.740 5.060 4.320 -0.000 0.000 0.295 60 A C -1.688 175.645 177.584 -0.418 0.000 1.067 60 A CA -0.752 51.107 52.037 -0.297 0.000 0.683 60 A CB 0.816 19.782 19.000 -0.055 0.000 1.281 60 A HN 0.659 nan 8.150 nan 0.000 0.407 61 Y N 0.401 120.745 120.300 0.073 0.000 2.307 61 Y HA 0.596 5.146 4.550 -0.000 0.000 0.324 61 Y C 1.275 177.190 175.900 0.025 0.000 1.238 61 Y CA 1.170 59.331 58.100 0.102 0.000 1.280 61 Y CB 1.703 40.248 38.460 0.142 0.000 1.248 61 Y HN 1.045 nan 8.280 nan 0.000 0.508 62 G N -0.312 108.612 108.800 0.206 0.000 2.731 62 G HA2 0.586 4.546 3.960 -0.000 0.000 0.309 62 G HA3 0.586 4.546 3.960 -0.000 0.000 0.309 62 G C -1.580 173.437 174.900 0.196 0.000 1.273 62 G CA -0.909 44.290 45.100 0.164 0.000 0.798 62 G HN 0.388 nan 8.290 nan 0.000 0.509 63 T N 0.425 115.128 114.554 0.247 0.000 2.928 63 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 63 T C -1.617 173.336 174.700 0.422 0.000 1.000 63 T CA -0.219 62.048 62.100 0.279 0.000 0.989 63 T CB 1.609 70.585 68.868 0.180 0.000 1.005 63 T HN 0.503 nan 8.240 nan 0.000 0.442 64 F N 3.095 123.256 119.950 0.352 0.000 2.404 64 F HA 0.602 5.129 4.527 -0.000 0.000 0.345 64 F C -0.033 175.964 175.800 0.330 0.000 1.110 64 F CA -0.176 58.092 58.000 0.446 0.000 1.130 64 F CB 0.986 40.324 39.000 0.562 0.000 1.129 64 F HN 0.425 nan 8.300 nan 0.000 0.500 65 T N 5.842 120.098 114.554 -0.497 0.000 2.812 65 T HA 0.410 4.760 4.350 -0.000 0.000 0.282 65 T C -0.691 173.651 174.700 -0.597 0.000 0.990 65 T CA -0.635 61.251 62.100 -0.358 0.000 0.960 65 T CB 1.406 70.207 68.868 -0.111 0.000 0.948 65 T HN 0.374 nan 8.240 nan 0.000 0.438 66 V N 3.918 123.683 119.914 -0.248 0.000 2.572 66 V HA 0.206 4.326 4.120 -0.000 0.000 0.291 66 V C 1.650 177.740 176.094 -0.007 0.000 1.039 66 V CA 0.352 62.638 62.300 -0.023 0.000 1.055 66 V CB 0.790 32.728 31.823 0.192 0.000 0.969 66 V HN 1.189 nan 8.190 nan 0.000 0.482 67 T N 0.332 114.923 114.554 0.062 0.000 2.969 67 T HA 0.251 4.601 4.350 -0.000 0.000 0.250 67 T C 0.390 175.014 174.700 -0.126 0.000 1.021 67 T CA 0.119 62.232 62.100 0.021 0.000 1.003 67 T CB 0.119 69.056 68.868 0.115 0.000 1.040 67 T HN 0.671 nan 8.240 nan 0.000 0.492 68 H N 0.263 119.354 119.070 0.035 0.000 2.946 68 H HA 0.656 5.212 4.556 -0.000 0.000 0.365 68 H C -1.602 173.746 175.328 0.033 0.000 1.197 68 H CA -0.971 55.095 56.048 0.029 0.000 1.131 68 H CB 1.462 31.237 29.762 0.022 0.000 1.849 68 H HN -0.001 nan 8.280 nan 0.000 0.555 69 D N 1.865 122.351 120.400 0.144 0.000 2.396 69 D HA 0.119 4.759 4.640 -0.000 0.000 0.225 69 D C 0.348 176.695 176.300 0.078 0.000 1.121 69 D CA -0.373 53.676 54.000 0.082 0.000 0.853 69 D CB 0.308 41.135 40.800 0.044 0.000 1.043 69 D HN 0.606 nan 8.370 nan 0.000 0.500 70 I N 0.988 121.587 120.570 0.048 0.000 3.877 70 I HA 0.184 4.354 4.170 -0.000 0.000 0.332 70 I C 1.303 177.420 176.117 0.000 0.000 1.525 70 I CA -0.409 60.934 61.300 0.071 0.000 1.146 70 I CB 0.182 38.185 38.000 0.005 0.000 1.137 70 I HN 0.145 nan 8.210 nan 0.000 0.424 71 T N -2.388 112.142 114.554 -0.041 0.000 3.072 71 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 71 T C 1.657 176.264 174.700 -0.154 0.000 1.127 71 T CA 0.932 62.986 62.100 -0.077 0.000 1.107 71 T CB -0.195 68.650 68.868 -0.038 0.000 0.910 71 T HN 0.548 nan 8.240 nan 0.000 0.513 72 K N 0.077 120.307 120.400 -0.282 0.000 2.147 72 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 72 K C 1.173 177.439 176.600 -0.557 0.000 1.049 72 K CA 1.344 57.334 56.287 -0.496 0.000 0.936 72 K CB -0.166 31.848 32.500 -0.811 0.000 0.722 72 K HN 0.575 nan 8.250 nan 0.000 0.446 73 Y N -0.910 119.261 120.300 -0.214 0.000 2.507 73 Y HA 0.177 4.727 4.550 -0.000 0.000 0.263 73 Y C 0.796 176.605 175.900 -0.151 0.000 1.093 73 Y CA 0.080 57.998 58.100 -0.305 0.000 1.285 73 Y CB 0.882 39.079 38.460 -0.438 0.000 1.115 73 Y HN -0.119 nan 8.280 nan 0.000 0.533 74 T N 0.404 114.856 114.554 -0.170 0.000 2.933 74 T HA 0.274 4.624 4.350 -0.000 0.000 0.305 74 T C 0.028 174.639 174.700 -0.150 0.000 1.092 74 T CA -0.877 61.055 62.100 -0.281 0.000 1.008 74 T CB 1.229 69.552 68.868 -0.909 0.000 1.102 74 T HN 0.316 nan 8.240 nan 0.000 0.469 75 K N 2.631 122.975 120.400 -0.093 0.000 2.417 75 K HA 0.548 4.868 4.320 -0.000 0.000 0.196 75 K C 0.759 177.324 176.600 -0.058 0.000 1.023 75 K CA -0.306 55.948 56.287 -0.055 0.000 1.122 75 K CB 0.236 32.715 32.500 -0.035 0.000 0.850 75 K HN 0.504 nan 8.250 nan 0.000 0.521 76 A N 2.434 125.187 122.820 -0.111 0.000 2.561 76 A HA 0.005 4.325 4.320 -0.000 0.000 0.251 76 A C 0.827 178.318 177.584 -0.155 0.000 1.062 76 A CA -0.231 51.694 52.037 -0.188 0.000 0.761 76 A CB 0.305 19.085 19.000 -0.366 0.000 0.986 76 A HN 0.195 nan 8.150 nan 0.000 0.510 77 K N 2.675 123.003 120.400 -0.120 0.000 2.152 77 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 77 K C 1.650 178.199 176.600 -0.084 0.000 1.048 77 K CA 1.521 57.772 56.287 -0.059 0.000 0.933 77 K CB -0.476 32.013 32.500 -0.018 0.000 0.721 77 K HN 0.883 nan 8.250 nan 0.000 0.447 78 I N 0.134 120.559 120.570 -0.242 0.000 2.399 78 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 78 I C 0.660 176.706 176.117 -0.118 0.000 1.146 78 I CA 1.338 62.472 61.300 -0.278 0.000 1.412 78 I CB 0.093 37.745 38.000 -0.581 0.000 1.076 78 I HN -0.068 nan 8.210 nan 0.000 0.432 79 F N 0.035 120.014 119.950 0.047 0.000 2.639 79 F HA 0.181 4.708 4.527 -0.000 0.000 0.302 79 F C 2.394 178.219 175.800 0.043 0.000 1.097 79 F CA 0.216 58.264 58.000 0.079 0.000 1.294 79 F CB -0.756 38.237 39.000 -0.013 0.000 1.027 79 F HN 0.094 nan 8.300 nan 0.000 0.550 80 S N -1.495 114.305 115.700 0.167 0.000 2.453 80 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 80 S C 0.301 174.952 174.600 0.085 0.000 1.005 80 S CA 0.659 58.916 58.200 0.095 0.000 0.949 80 S CB -0.057 63.174 63.200 0.052 0.000 0.774 80 S HN 0.212 nan 8.310 nan 0.000 0.510 81 D N 0.331 120.793 120.400 0.104 0.000 2.947 81 D HA 0.370 5.010 4.640 -0.000 0.000 0.224 81 D C -0.834 175.515 176.300 0.082 0.000 1.230 81 D CA -0.541 53.503 54.000 0.074 0.000 0.871 81 D CB 1.914 42.748 40.800 0.056 0.000 1.671 81 D HN 0.165 nan 8.370 nan 0.000 0.507 82 I N 1.101 121.702 120.570 0.053 0.000 2.775 82 I HA 0.048 4.218 4.170 -0.000 0.000 0.290 82 I C 1.662 177.796 176.117 0.027 0.000 1.203 82 I CA 1.134 62.453 61.300 0.032 0.000 1.433 82 I CB 0.279 38.273 38.000 -0.010 0.000 1.354 82 I HN 0.847 nan 8.210 nan 0.000 0.579 83 G N 4.447 113.259 108.800 0.020 0.000 2.179 83 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 83 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 83 G C 0.469 175.393 174.900 0.040 0.000 0.977 83 G CA 0.101 45.212 45.100 0.018 0.000 0.641 83 G HN 0.648 nan 8.290 nan 0.000 0.533 84 K N 1.178 121.619 120.400 0.068 0.000 2.447 84 K HA 0.341 4.661 4.320 -0.000 0.000 0.281 84 K C 0.319 176.990 176.600 0.117 0.000 1.031 84 K CA 0.275 56.620 56.287 0.097 0.000 1.019 84 K CB 0.154 32.730 32.500 0.127 0.000 0.918 84 K HN 0.288 nan 8.250 nan 0.000 0.476 85 K N 2.587 123.059 120.400 0.120 0.000 2.182 85 K HA 0.286 4.606 4.320 -0.000 0.000 0.262 85 K C -0.969 175.751 176.600 0.201 0.000 0.957 85 K CA -0.689 55.688 56.287 0.149 0.000 0.842 85 K CB 2.083 34.648 32.500 0.110 0.000 1.099 85 K HN 0.469 nan 8.250 nan 0.000 0.438 86 T N 1.838 116.568 114.554 0.293 0.000 2.879 86 T HA 0.156 4.506 4.350 -0.000 0.000 0.290 86 T C -0.990 173.912 174.700 0.337 0.000 0.993 86 T CA -0.896 61.393 62.100 0.316 0.000 0.975 86 T CB 1.241 70.337 68.868 0.380 0.000 0.981 86 T HN 0.422 nan 8.240 nan 0.000 0.439 87 D N 3.386 123.956 120.400 0.284 0.000 2.449 87 D HA 0.405 5.045 4.640 -0.000 0.000 0.236 87 D C 0.357 176.910 176.300 0.422 0.000 1.149 87 D CA 0.421 54.607 54.000 0.311 0.000 0.878 87 D CB 0.424 41.367 40.800 0.238 0.000 1.198 87 D HN 0.595 nan 8.370 nan 0.000 0.446 88 M N -0.004 119.807 119.600 0.351 0.000 2.644 88 M HA 0.633 5.113 4.480 -0.000 0.000 0.273 88 M C -1.816 174.569 176.300 0.141 0.000 1.253 88 M CA -1.094 54.230 55.300 0.041 0.000 0.852 88 M CB 2.384 34.801 32.600 -0.306 0.000 1.708 88 M HN 0.201 nan 8.290 nan 0.000 0.471 89 F N 1.212 120.947 119.950 -0.358 0.000 2.565 89 F HA 0.918 5.445 4.527 -0.000 0.000 0.313 89 F C -1.724 173.734 175.800 -0.570 0.000 1.091 89 F CA -0.389 57.374 58.000 -0.395 0.000 0.915 89 F CB 2.125 40.924 39.000 -0.335 0.000 1.208 89 F HN 0.977 nan 8.300 nan 0.000 0.453 90 A N 5.895 127.816 122.820 -1.500 0.000 2.371 90 A HA 0.812 5.132 4.320 -0.000 0.000 0.311 90 A C -1.358 175.202 177.584 -1.706 0.000 1.068 90 A CA -0.846 50.291 52.037 -1.501 0.000 0.744 90 A CB 1.503 19.630 19.000 -1.455 0.000 1.239 90 A HN 0.869 nan 8.150 nan 0.000 0.435 91 R N 1.994 121.653 120.500 -1.402 0.000 2.480 91 R HA 0.660 5.000 4.340 -0.000 0.000 0.306 91 R C -1.770 173.825 176.300 -1.174 0.000 0.958 91 R CA -0.383 55.084 56.100 -1.055 0.000 0.861 91 R CB 0.903 30.950 30.300 -0.421 0.000 1.171 91 R HN 0.630 nan 8.270 nan 0.000 0.445 92 F N 1.655 121.173 119.950 -0.720 0.000 2.470 92 F HA 0.572 5.099 4.527 -0.000 0.000 0.329 92 F C 0.391 175.808 175.800 -0.637 0.000 1.072 92 F CA -0.508 56.976 58.000 -0.861 0.000 0.989 92 F CB 2.236 40.331 39.000 -1.508 0.000 1.193 92 F HN 0.574 nan 8.300 nan 0.000 0.481 93 S N -1.166 114.474 115.700 -0.099 0.000 2.587 93 S HA 0.547 5.017 4.470 -0.000 0.000 0.269 93 S C -0.659 174.117 174.600 0.293 0.000 1.154 93 S CA -1.006 57.295 58.200 0.169 0.000 0.824 93 S CB 1.156 64.489 63.200 0.221 0.000 1.118 93 S HN 0.761 nan 8.310 nan 0.000 0.462 94 T N -1.045 113.647 114.554 0.231 0.000 2.793 94 T HA 0.630 4.980 4.350 -0.000 0.000 0.299 94 T C 0.924 175.583 174.700 -0.069 0.000 1.038 94 T CA -0.073 62.096 62.100 0.115 0.000 0.948 94 T CB 0.267 69.180 68.868 0.075 0.000 1.231 94 T HN 0.657 nan 8.240 nan 0.000 0.538 95 V N -0.200 119.630 119.914 -0.140 0.000 2.854 95 V HA 0.321 4.441 4.120 -0.000 0.000 0.236 95 V C 2.733 178.757 176.094 -0.117 0.000 1.157 95 V CA 0.807 62.907 62.300 -0.333 0.000 1.187 95 V CB -0.805 30.898 31.823 -0.201 0.000 0.949 95 V HN 1.022 nan 8.190 nan 0.000 0.488 96 A N 0.480 123.275 122.820 -0.043 0.000 1.984 96 A HA 0.356 4.676 4.320 -0.000 0.000 0.214 96 A C 1.597 179.174 177.584 -0.011 0.000 1.173 96 A CA 0.869 52.889 52.037 -0.029 0.000 0.673 96 A CB -0.775 18.204 19.000 -0.035 0.000 0.830 96 A HN 0.545 nan 8.150 nan 0.000 0.453 97 G N 0.652 109.454 108.800 0.003 0.000 2.380 97 G HA2 0.384 4.344 3.960 -0.000 0.000 0.242 97 G HA3 0.384 4.344 3.960 -0.000 0.000 0.242 97 G C -0.184 174.735 174.900 0.032 0.000 1.298 97 G CA -0.193 44.918 45.100 0.018 0.000 0.878 97 G HN 0.445 nan 8.290 nan 0.000 0.542 98 E N 0.541 120.759 120.200 0.030 0.000 2.605 98 E HA 0.256 4.606 4.350 -0.000 0.000 0.255 98 E C 0.867 177.500 176.600 0.055 0.000 1.369 98 E CA -0.299 56.125 56.400 0.041 0.000 1.017 98 E CB 0.465 30.183 29.700 0.030 0.000 1.086 98 E HN 0.467 nan 8.360 nan 0.000 0.605 99 R N -0.061 120.477 120.500 0.064 0.000 2.570 99 R HA 0.223 4.563 4.340 -0.000 0.000 0.277 99 R C 0.909 177.241 176.300 0.052 0.000 1.039 99 R CA 1.302 57.446 56.100 0.074 0.000 1.065 99 R CB -0.073 30.274 30.300 0.077 0.000 0.964 99 R HN 0.776 nan 8.270 nan 0.000 0.428 100 G N 1.490 110.319 108.800 0.047 0.000 2.268 100 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.240 100 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.240 100 G C 0.245 175.162 174.900 0.029 0.000 1.010 100 G CA -0.037 45.083 45.100 0.032 0.000 0.618 100 G HN 0.878 nan 8.290 nan 0.000 0.516 101 A N 0.655 123.494 122.820 0.033 0.000 2.406 101 A HA 0.771 5.091 4.320 -0.000 0.000 0.243 101 A C 1.135 178.733 177.584 0.022 0.000 1.082 101 A CA 1.089 53.141 52.037 0.025 0.000 0.786 101 A CB 0.190 19.204 19.000 0.023 0.000 1.029 101 A HN 2.170 nan 8.150 nan 0.000 0.495 102 A N 0.810 123.637 122.820 0.012 0.000 2.511 102 A HA 0.292 4.612 4.320 -0.000 0.000 0.242 102 A C 0.697 178.268 177.584 -0.022 0.000 1.069 102 A CA 0.123 52.161 52.037 0.002 0.000 0.763 102 A CB -0.056 18.944 19.000 0.000 0.000 1.001 102 A HN 0.802 nan 8.150 nan 0.000 0.498 103 D N 1.881 122.253 120.400 -0.046 0.000 2.178 103 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 103 D C 1.245 177.323 176.300 -0.370 0.000 0.974 103 D CA 1.908 55.805 54.000 -0.171 0.000 0.841 103 D CB -0.022 40.680 40.800 -0.163 0.000 0.953 103 D HN 0.626 nan 8.370 nan 0.000 0.478 104 A N 1.112 123.807 122.820 -0.209 0.000 3.260 104 A HA 0.211 4.531 4.320 -0.000 0.000 0.268 104 A C 0.171 177.720 177.584 -0.058 0.000 1.491 104 A CA -0.267 51.676 52.037 -0.156 0.000 1.181 104 A CB -0.152 18.860 19.000 0.020 0.000 1.137 104 A HN -0.039 nan 8.150 nan 0.000 0.642 105 E N 0.161 120.324 120.200 -0.062 0.000 2.227 105 E HA 0.301 4.651 4.350 -0.000 0.000 0.268 105 E C -0.153 176.466 176.600 0.032 0.000 0.990 105 E CA -0.977 55.424 56.400 0.000 0.000 0.856 105 E CB 1.596 31.300 29.700 0.007 0.000 1.159 105 E HN 0.510 nan 8.360 nan 0.000 0.401 106 R N 2.053 122.592 120.500 0.065 0.000 2.343 106 R HA 0.061 4.401 4.340 -0.000 0.000 0.326 106 R C -1.090 175.282 176.300 0.120 0.000 1.055 106 R CA 0.599 56.759 56.100 0.101 0.000 0.961 106 R CB 0.133 30.508 30.300 0.126 0.000 0.978 106 R HN 0.387 nan 8.270 nan 0.000 0.443 107 D N 3.219 123.697 120.400 0.131 0.000 2.783 107 D HA 0.144 4.784 4.640 -0.000 0.000 0.253 107 D C -0.553 175.843 176.300 0.159 0.000 1.206 107 D CA -0.567 53.522 54.000 0.148 0.000 0.740 107 D CB 1.041 41.901 40.800 0.101 0.000 1.313 107 D HN 0.388 nan 8.370 nan 0.000 0.427 108 I N 1.681 122.363 120.570 0.186 0.000 2.948 108 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 108 I C 0.677 176.923 176.117 0.216 0.000 1.226 108 I CA 0.168 61.586 61.300 0.196 0.000 1.413 108 I CB 0.305 38.453 38.000 0.247 0.000 1.352 108 I HN 0.045 nan 8.210 nan 0.000 0.597 109 R N 3.980 124.643 120.500 0.272 0.000 2.514 109 R HA 0.416 4.755 4.340 -0.000 0.000 0.301 109 R C -0.128 176.401 176.300 0.383 0.000 0.962 109 R CA -0.851 55.448 56.100 0.332 0.000 0.882 109 R CB 1.341 31.876 30.300 0.392 0.000 1.143 109 R HN 0.769 nan 8.270 nan 0.000 0.452 110 G N 1.051 110.101 108.800 0.416 0.000 2.483 110 G HA2 0.291 4.251 3.960 -0.000 0.000 0.248 110 G HA3 0.291 4.251 3.960 -0.000 0.000 0.248 110 G C -0.956 174.057 174.900 0.189 0.000 1.248 110 G CA -0.074 45.207 45.100 0.301 0.000 0.838 110 G HN 0.459 nan 8.290 nan 0.000 0.566 111 F N 1.911 121.793 119.950 -0.114 0.000 2.872 111 F HA 0.441 4.968 4.527 -0.000 0.000 0.365 111 F C 0.154 175.634 175.800 -0.534 0.000 1.296 111 F CA -0.787 57.104 58.000 -0.182 0.000 1.199 111 F CB 1.281 40.239 39.000 -0.069 0.000 1.687 111 F HN 0.421 nan 8.300 nan 0.000 0.604 112 S N 4.957 120.178 115.700 -0.798 0.000 2.437 112 S HA 0.791 5.261 4.470 -0.000 0.000 0.305 112 S C -0.803 172.987 174.600 -1.351 0.000 1.109 112 S CA -0.413 57.106 58.200 -1.136 0.000 1.099 112 S CB 0.541 62.780 63.200 -1.601 0.000 1.004 112 S HN 0.496 nan 8.310 nan 0.000 0.475 113 L N 4.478 125.070 121.223 -1.053 0.000 2.365 113 L HA 0.616 4.956 4.340 -0.000 0.000 0.273 113 L C -0.243 176.177 176.870 -0.751 0.000 1.000 113 L CA -0.761 53.444 54.840 -1.058 0.000 0.819 113 L CB 1.969 43.241 42.059 -1.313 0.000 1.284 113 L HN 0.479 nan 8.230 nan 0.000 0.418 114 K N 2.929 122.914 120.400 -0.692 0.000 2.450 114 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 114 K C -1.676 174.361 176.600 -0.938 0.000 0.953 114 K CA -0.454 55.460 56.287 -0.621 0.000 0.844 114 K CB 1.040 33.245 32.500 -0.492 0.000 1.103 114 K HN 0.320 nan 8.250 nan 0.000 0.429 115 F N 4.093 123.740 119.950 -0.506 0.000 2.361 115 F HA 0.279 4.806 4.527 -0.000 0.000 0.364 115 F C -0.427 175.244 175.800 -0.215 0.000 1.117 115 F CA -0.744 57.062 58.000 -0.322 0.000 1.071 115 F CB 0.786 39.678 39.000 -0.179 0.000 1.188 115 F HN 0.443 nan 8.300 nan 0.000 0.464 116 Y N 1.777 122.163 120.300 0.143 0.000 2.623 116 Y HA 0.161 4.711 4.550 -0.000 0.000 0.341 116 Y C 1.207 177.170 175.900 0.105 0.000 1.292 116 Y CA -0.836 57.320 58.100 0.094 0.000 1.840 116 Y CB -0.785 37.709 38.460 0.057 0.000 1.865 116 Y HN 0.524 nan 8.280 nan 0.000 0.440 117 T N -2.693 111.982 114.554 0.202 0.000 2.816 117 T HA 0.084 4.434 4.350 -0.000 0.000 0.282 117 T C 1.230 175.984 174.700 0.091 0.000 0.993 117 T CA -0.514 61.661 62.100 0.126 0.000 0.994 117 T CB 1.107 70.005 68.868 0.049 0.000 1.025 117 T HN 0.715 nan 8.240 nan 0.000 0.529 118 E N -0.165 120.070 120.200 0.058 0.000 2.418 118 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 118 E C 0.836 177.447 176.600 0.017 0.000 1.026 118 E CA 0.797 57.222 56.400 0.043 0.000 0.862 118 E CB -0.055 29.669 29.700 0.041 0.000 0.799 118 E HN 0.841 nan 8.360 nan 0.000 0.518 119 E N 0.545 120.742 120.200 -0.005 0.000 2.789 119 E HA 0.316 4.665 4.350 -0.000 0.000 0.208 119 E C -0.241 176.324 176.600 -0.058 0.000 0.988 119 E CA -0.046 56.319 56.400 -0.057 0.000 1.092 119 E CB 1.323 30.976 29.700 -0.077 0.000 1.066 119 E HN 0.359 nan 8.360 nan 0.000 0.465 120 G N 1.192 109.993 108.800 0.002 0.000 2.406 120 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.680 120 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.680 120 G C -1.177 173.769 174.900 0.077 0.000 1.338 120 G CA -1.165 43.952 45.100 0.029 0.000 0.941 120 G HN 0.188 nan 8.290 nan 0.000 0.633 121 N N 0.002 118.751 118.700 0.081 0.000 2.452 121 N HA 0.307 5.047 4.740 -0.000 0.000 0.266 121 N C -0.539 175.048 175.510 0.128 0.000 1.175 121 N CA -0.160 52.926 53.050 0.060 0.000 0.945 121 N CB 0.879 39.355 38.487 -0.019 0.000 1.063 121 N HN 0.557 nan 8.380 nan 0.000 0.472 122 W N 4.494 125.763 121.300 -0.051 0.000 2.342 122 W HA 0.245 4.905 4.660 -0.000 0.000 0.310 122 W C -1.003 175.511 176.519 -0.008 0.000 1.128 122 W CA -1.005 56.318 57.345 -0.038 0.000 1.322 122 W CB 0.168 29.572 29.460 -0.094 0.000 1.251 122 W HN 0.405 nan 8.180 nan 0.000 0.439 123 D N 5.876 126.264 120.400 -0.020 0.000 2.274 123 D HA 0.214 4.854 4.640 -0.000 0.000 0.239 123 D C -0.988 175.092 176.300 -0.368 0.000 1.104 123 D CA -0.282 53.609 54.000 -0.182 0.000 0.840 123 D CB 1.822 42.607 40.800 -0.025 0.000 1.100 123 D HN 0.376 nan 8.370 nan 0.000 0.477 124 L N 2.481 123.363 121.223 -0.568 0.000 2.384 124 L HA 0.457 4.797 4.340 -0.000 0.000 0.261 124 L C -0.475 176.138 176.870 -0.428 0.000 1.024 124 L CA -0.679 53.834 54.840 -0.545 0.000 0.899 124 L CB 1.052 42.618 42.059 -0.822 0.000 1.243 124 L HN 0.356 nan 8.230 nan 0.000 0.449 125 A N 3.804 126.433 122.820 -0.318 0.000 2.805 125 A HA 0.643 4.963 4.320 -0.000 0.000 0.301 125 A C 0.695 178.165 177.584 -0.191 0.000 1.557 125 A CA 0.282 52.104 52.037 -0.359 0.000 1.254 125 A CB -0.874 17.912 19.000 -0.358 0.000 1.114 125 A HN 0.741 nan 8.150 nan 0.000 0.553 126 G N 1.063 109.767 108.800 -0.161 0.000 2.557 126 G HA2 0.530 4.490 3.960 -0.000 0.000 0.302 126 G HA3 0.530 4.490 3.960 -0.000 0.000 0.302 126 G C -0.378 174.564 174.900 0.069 0.000 1.311 126 G CA -0.577 44.528 45.100 0.009 0.000 1.030 126 G HN 0.570 nan 8.290 nan 0.000 0.509 127 N N -0.961 117.831 118.700 0.154 0.000 2.509 127 N HA 0.192 4.932 4.740 -0.000 0.000 0.280 127 N C 0.399 176.089 175.510 0.300 0.000 1.306 127 N CA -0.758 52.437 53.050 0.242 0.000 0.782 127 N CB 1.520 40.142 38.487 0.226 0.000 1.493 127 N HN 0.517 nan 8.380 nan 0.000 0.498 128 N N -0.995 117.911 118.700 0.344 0.000 2.485 128 N HA -0.037 4.703 4.740 -0.000 0.000 0.199 128 N C -0.421 175.332 175.510 0.405 0.000 1.236 128 N CA 0.207 53.490 53.050 0.388 0.000 0.852 128 N CB -0.033 38.673 38.487 0.365 0.000 1.018 128 N HN 0.402 nan 8.380 nan 0.000 0.457 129 T N -0.192 114.501 114.554 0.232 0.000 2.912 129 T HA 0.368 4.717 4.350 -0.000 0.000 0.299 129 T C -2.429 171.952 174.700 -0.531 0.000 1.052 129 T CA -1.755 60.219 62.100 -0.210 0.000 0.996 129 T CB 2.189 70.949 68.868 -0.180 0.000 1.070 129 T HN -0.181 nan 8.240 nan 0.000 0.465 130 P HA 0.107 nan 4.420 nan 0.000 0.233 130 P C 0.534 177.545 177.300 -0.480 0.000 1.167 130 P CA 0.467 63.047 63.100 -0.867 0.000 0.770 130 P CB -0.050 31.098 31.700 -0.919 0.000 0.837 131 V N -4.814 114.830 119.914 -0.451 0.000 3.164 131 V HA 0.780 4.900 4.120 -0.000 0.000 0.313 131 V C -0.868 175.097 176.094 -0.214 0.000 1.188 131 V CA -1.187 60.895 62.300 -0.363 0.000 1.058 131 V CB 2.108 33.597 31.823 -0.557 0.000 1.110 131 V HN -0.096 nan 8.190 nan 0.000 0.453 132 F N -1.218 118.512 119.950 -0.366 0.000 2.715 132 F HA 0.657 5.184 4.527 -0.000 0.000 0.318 132 F C 0.287 175.909 175.800 -0.297 0.000 1.141 132 F CA -1.226 56.569 58.000 -0.342 0.000 0.950 132 F CB 1.734 40.656 39.000 -0.130 0.000 1.374 132 F HN 0.454 nan 8.300 nan 0.000 0.477 133 F N 1.389 120.928 119.950 -0.684 0.000 2.325 133 F HA 0.136 4.663 4.527 -0.000 0.000 0.299 133 F C 0.333 176.054 175.800 -0.131 0.000 1.090 133 F CA 0.698 58.432 58.000 -0.443 0.000 1.392 133 F CB -0.131 38.546 39.000 -0.538 0.000 1.053 133 F HN -0.082 nan 8.300 nan 0.000 0.521 134 L N -0.738 120.662 121.223 0.294 0.000 2.333 134 L HA 0.480 4.820 4.340 -0.000 0.000 0.269 134 L C 0.819 177.789 176.870 0.167 0.000 1.010 134 L CA -0.839 54.160 54.840 0.265 0.000 0.818 134 L CB 2.085 44.403 42.059 0.433 0.000 1.306 134 L HN -0.196 nan 8.230 nan 0.000 0.430 135 R N -0.614 119.879 120.500 -0.012 0.000 2.254 135 R HA 0.143 4.483 4.340 -0.000 0.000 0.193 135 R C -0.244 176.019 176.300 -0.061 0.000 0.929 135 R CA 0.192 56.223 56.100 -0.115 0.000 1.038 135 R CB 0.491 30.532 30.300 -0.431 0.000 1.009 135 R HN 0.583 nan 8.270 nan 0.000 0.512 136 D N 0.217 120.617 120.400 -0.000 0.000 2.649 136 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 136 D C -1.981 174.424 176.300 0.176 0.000 1.112 136 D CA -2.179 51.880 54.000 0.097 0.000 0.850 136 D CB 2.570 43.459 40.800 0.148 0.000 1.399 136 D HN -0.191 nan 8.370 nan 0.000 0.503 137 P HA -0.047 nan 4.420 nan 0.000 0.222 137 P C 1.830 179.257 177.300 0.211 0.000 1.147 137 P CA 0.355 63.564 63.100 0.182 0.000 0.790 137 P CB 0.586 32.347 31.700 0.103 0.000 0.780 138 L N -0.599 120.733 121.223 0.182 0.000 2.261 138 L HA -0.132 4.208 4.340 -0.000 0.000 0.216 138 L C 2.255 179.241 176.870 0.192 0.000 1.114 138 L CA 1.286 56.227 54.840 0.170 0.000 0.777 138 L CB -0.545 41.606 42.059 0.154 0.000 0.910 138 L HN -0.080 nan 8.230 nan 0.000 0.440 139 K N -1.067 119.484 120.400 0.251 0.000 2.426 139 K HA -0.011 4.309 4.320 -0.000 0.000 0.193 139 K C 1.708 178.472 176.600 0.273 0.000 1.028 139 K CA 0.369 56.835 56.287 0.298 0.000 1.047 139 K CB -0.042 32.686 32.500 0.380 0.000 0.821 139 K HN 0.159 nan 8.250 nan 0.000 0.513 140 F N 2.892 122.931 119.950 0.149 0.000 2.102 140 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 140 F C -0.961 174.810 175.800 -0.047 0.000 1.105 140 F CA 1.168 59.240 58.000 0.121 0.000 1.239 140 F CB -0.763 38.314 39.000 0.129 0.000 0.991 140 F HN 0.026 nan 8.300 nan 0.000 0.474 141 P HA -0.145 nan 4.420 nan 0.000 0.217 141 P C 1.125 177.979 177.300 -0.744 0.000 1.150 141 P CA 1.825 64.696 63.100 -0.381 0.000 0.832 141 P CB -0.112 31.453 31.700 -0.224 0.000 0.787 142 D N -0.552 119.556 120.400 -0.487 0.000 2.123 142 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 142 D C 1.944 177.591 176.300 -1.088 0.000 0.992 142 D CA 0.996 54.615 54.000 -0.635 0.000 0.833 142 D CB -0.643 39.956 40.800 -0.335 0.000 0.954 142 D HN 0.086 nan 8.370 nan 0.000 0.455 143 L N 1.927 122.607 121.223 -0.906 0.000 2.012 143 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 143 L C 1.851 178.334 176.870 -0.645 0.000 1.073 143 L CA 1.676 56.050 54.840 -0.777 0.000 0.748 143 L CB -0.874 41.013 42.059 -0.286 0.000 0.891 143 L HN -0.049 nan 8.230 nan 0.000 0.431 144 N N -0.417 117.902 118.700 -0.636 0.000 2.061 144 N HA -0.286 4.454 4.740 -0.000 0.000 0.193 144 N C 1.909 177.275 175.510 -0.240 0.000 1.030 144 N CA 2.367 55.168 53.050 -0.414 0.000 0.856 144 N CB -0.346 37.927 38.487 -0.357 0.000 1.023 144 N HN 0.711 nan 8.380 nan 0.000 0.424 145 H N -0.646 118.215 119.070 -0.350 0.000 2.491 145 H HA 0.085 4.641 4.556 -0.000 0.000 0.290 145 H C 1.877 177.004 175.328 -0.336 0.000 1.050 145 H CA 0.693 56.567 56.048 -0.290 0.000 1.309 145 H CB 0.203 29.817 29.762 -0.246 0.000 1.392 145 H HN 0.394 nan 8.280 nan 0.000 0.554 146 A N 0.873 123.463 122.820 -0.383 0.000 1.975 146 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 146 A C 2.378 179.715 177.584 -0.412 0.000 1.170 146 A CA 1.191 52.967 52.037 -0.435 0.000 0.656 146 A CB -0.360 18.240 19.000 -0.668 0.000 0.821 146 A HN 0.319 nan 8.150 nan 0.000 0.449 147 V N -3.214 116.462 119.914 -0.396 0.000 3.471 147 V HA 0.233 4.353 4.120 -0.000 0.000 0.258 147 V C 0.836 176.800 176.094 -0.216 0.000 1.192 147 V CA 0.476 62.562 62.300 -0.357 0.000 1.116 147 V CB -0.437 31.187 31.823 -0.332 0.000 0.792 147 V HN 0.318 nan 8.190 nan 0.000 0.459 148 K N 0.501 120.799 120.400 -0.169 0.000 2.762 148 K HA 0.521 4.841 4.320 -0.000 0.000 0.292 148 K C -0.192 176.348 176.600 -0.099 0.000 1.008 148 K CA -1.046 55.178 56.287 -0.106 0.000 1.142 148 K CB 0.520 32.978 32.500 -0.070 0.000 1.490 148 K HN 0.177 nan 8.250 nan 0.000 0.581 149 R N 1.592 122.047 120.500 -0.076 0.000 2.438 149 R HA 0.039 4.378 4.340 -0.000 0.000 0.287 149 R C -0.599 175.650 176.300 -0.085 0.000 1.077 149 R CA -0.220 55.837 56.100 -0.071 0.000 1.034 149 R CB 0.397 30.666 30.300 -0.053 0.000 0.993 149 R HN 0.521 nan 8.270 nan 0.000 0.459 150 D N 3.121 123.473 120.400 -0.079 0.000 2.488 150 D HA -0.016 4.624 4.640 -0.000 0.000 0.238 150 D C -1.423 174.829 176.300 -0.080 0.000 1.138 150 D CA -1.173 52.779 54.000 -0.080 0.000 0.873 150 D CB 0.967 41.730 40.800 -0.062 0.000 1.183 150 D HN 0.204 nan 8.370 nan 0.000 0.458 151 P HA -0.154 nan 4.420 nan 0.000 0.218 151 P C 0.927 178.189 177.300 -0.064 0.000 1.146 151 P CA 1.119 64.164 63.100 -0.091 0.000 0.813 151 P CB 0.172 31.812 31.700 -0.100 0.000 0.778 152 R N -0.922 119.546 120.500 -0.053 0.000 2.121 152 R HA -0.003 4.337 4.340 -0.000 0.000 0.206 152 R C 2.045 178.324 176.300 -0.034 0.000 1.094 152 R CA 1.580 57.656 56.100 -0.040 0.000 1.055 152 R CB -0.604 29.675 30.300 -0.034 0.000 0.964 152 R HN 0.144 nan 8.270 nan 0.000 0.473 153 T N -1.487 113.046 114.554 -0.035 0.000 3.055 153 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 153 T C 0.787 175.470 174.700 -0.029 0.000 1.111 153 T CA 0.896 62.979 62.100 -0.029 0.000 1.118 153 T CB -0.357 68.494 68.868 -0.028 0.000 0.909 153 T HN 0.432 nan 8.240 nan 0.000 0.501 154 N N 0.434 119.113 118.700 -0.036 0.000 2.696 154 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 154 N C -0.675 174.817 175.510 -0.031 0.000 1.090 154 N CA 0.908 53.937 53.050 -0.035 0.000 0.716 154 N CB -1.535 36.936 38.487 -0.028 0.000 1.020 154 N HN 0.715 nan 8.380 nan 0.000 0.548 155 M N -0.286 119.294 119.600 -0.035 0.000 2.572 155 M HA 0.381 4.861 4.480 -0.000 0.000 0.299 155 M C 0.235 176.509 176.300 -0.043 0.000 1.205 155 M CA -0.787 54.494 55.300 -0.031 0.000 0.876 155 M CB 2.126 34.713 32.600 -0.022 0.000 1.728 155 M HN -0.095 nan 8.290 nan 0.000 0.458 156 R N 0.766 121.239 120.500 -0.045 0.000 2.734 156 R HA 0.256 4.596 4.340 -0.000 0.000 0.266 156 R C -0.218 176.049 176.300 -0.055 0.000 1.044 156 R CA 0.087 56.149 56.100 -0.063 0.000 1.128 156 R CB 0.607 30.870 30.300 -0.063 0.000 1.010 156 R HN 0.606 nan 8.270 nan 0.000 0.461 157 S N 0.649 116.304 115.700 -0.076 0.000 2.756 157 S HA 0.363 4.833 4.470 -0.000 0.000 0.303 157 S C 0.620 175.189 174.600 -0.052 0.000 1.135 157 S CA -0.339 57.828 58.200 -0.054 0.000 1.066 157 S CB 1.664 64.828 63.200 -0.061 0.000 1.008 157 S HN 0.678 nan 8.310 nan 0.000 0.482 158 A N 5.599 128.427 122.820 0.013 0.000 1.933 158 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 158 A C 2.199 179.868 177.584 0.142 0.000 1.175 158 A CA 1.362 53.469 52.037 0.116 0.000 0.628 158 A CB -0.547 18.539 19.000 0.143 0.000 0.814 158 A HN 0.759 nan 8.150 nan 0.000 0.444 159 K N 0.514 120.954 120.400 0.067 0.000 2.009 159 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 159 K C 1.716 178.333 176.600 0.028 0.000 1.049 159 K CA 2.118 58.442 56.287 0.061 0.000 0.929 159 K CB -0.707 31.810 32.500 0.029 0.000 0.714 159 K HN 0.695 nan 8.250 nan 0.000 0.440 160 N N 0.764 119.443 118.700 -0.034 0.000 2.069 160 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 160 N C 1.814 177.227 175.510 -0.163 0.000 1.031 160 N CA 1.165 54.166 53.050 -0.082 0.000 0.852 160 N CB -0.225 38.192 38.487 -0.116 0.000 1.018 160 N HN 0.257 nan 8.380 nan 0.000 0.423 161 N N 0.393 118.921 118.700 -0.287 0.000 2.058 161 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 161 N C 1.300 176.370 175.510 -0.733 0.000 1.037 161 N CA 1.328 53.976 53.050 -0.671 0.000 0.848 161 N CB -0.259 37.729 38.487 -0.831 0.000 1.021 161 N HN 0.326 nan 8.380 nan 0.000 0.422 162 W N 0.989 122.110 121.300 -0.299 0.000 2.476 162 W HA 0.004 4.664 4.660 -0.000 0.000 0.281 162 W C 2.193 178.709 176.519 -0.004 0.000 1.230 162 W CA 0.473 57.750 57.345 -0.114 0.000 1.287 162 W CB -0.427 29.002 29.460 -0.051 0.000 1.108 162 W HN 0.136 nan 8.180 nan 0.000 0.567 163 D N -0.049 120.453 120.400 0.170 0.000 2.104 163 D HA -0.272 4.368 4.640 -0.000 0.000 0.194 163 D C 1.888 178.275 176.300 0.145 0.000 0.994 163 D CA 1.429 55.513 54.000 0.141 0.000 0.830 163 D CB -0.560 40.298 40.800 0.096 0.000 0.959 163 D HN 0.073 nan 8.370 nan 0.000 0.452 164 F N -0.035 119.876 119.950 -0.065 0.000 2.075 164 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 164 F C 1.935 177.774 175.800 0.064 0.000 1.113 164 F CA 1.516 59.479 58.000 -0.061 0.000 1.218 164 F CB -0.581 38.305 39.000 -0.190 0.000 0.984 164 F HN 0.045 nan 8.300 nan 0.000 0.472 165 W N 1.076 122.259 121.300 -0.196 0.000 2.358 165 W HA -0.160 4.500 4.660 -0.000 0.000 0.303 165 W C 2.888 179.358 176.519 -0.082 0.000 1.208 165 W CA 2.446 59.615 57.345 -0.292 0.000 1.274 165 W CB -1.913 27.309 29.460 -0.396 0.000 1.138 165 W HN 0.199 nan 8.180 nan 0.000 0.515 166 T N -3.450 111.293 114.554 0.315 0.000 3.035 166 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 166 T C 1.621 176.475 174.700 0.257 0.000 1.109 166 T CA 1.424 63.740 62.100 0.360 0.000 1.119 166 T CB -0.496 68.557 68.868 0.309 0.000 0.900 166 T HN -0.069 nan 8.240 nan 0.000 0.503 167 S N 1.035 116.788 115.700 0.088 0.000 2.562 167 S HA 0.334 4.804 4.470 -0.000 0.000 0.221 167 S C 0.512 175.064 174.600 -0.079 0.000 0.975 167 S CA 0.036 58.248 58.200 0.019 0.000 0.918 167 S CB -0.232 62.964 63.200 -0.006 0.000 0.772 167 S HN 0.499 nan 8.310 nan 0.000 0.531 168 L N 2.383 123.516 121.223 -0.151 0.000 2.408 168 L HA 0.309 4.649 4.340 -0.000 0.000 0.257 168 L C -1.985 174.707 176.870 -0.297 0.000 1.053 168 L CA -1.931 52.767 54.840 -0.238 0.000 0.922 168 L CB 1.363 43.234 42.059 -0.314 0.000 1.261 168 L HN -0.105 nan 8.230 nan 0.000 0.458 169 P HA -0.240 nan 4.420 nan 0.000 0.217 169 P C 1.224 178.132 177.300 -0.652 0.000 1.148 169 P CA 1.302 63.900 63.100 -0.836 0.000 0.828 169 P CB 0.181 31.167 31.700 -1.191 0.000 0.783 170 E N 0.717 120.576 120.200 -0.567 0.000 2.267 170 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 170 E C 1.678 178.225 176.600 -0.088 0.000 0.998 170 E CA 1.518 57.831 56.400 -0.145 0.000 0.830 170 E CB -1.128 28.601 29.700 0.047 0.000 0.751 170 E HN 0.211 nan 8.360 nan 0.000 0.491 171 A N 1.060 123.805 122.820 -0.125 0.000 2.206 171 A HA 0.060 4.380 4.320 -0.000 0.000 0.211 171 A C 2.093 179.635 177.584 -0.071 0.000 1.158 171 A CA 0.533 52.520 52.037 -0.084 0.000 0.761 171 A CB -0.516 18.395 19.000 -0.149 0.000 0.801 171 A HN 0.263 nan 8.150 nan 0.000 0.473 172 L N -0.672 120.546 121.223 -0.009 0.000 2.046 172 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 172 L C 2.186 179.151 176.870 0.158 0.000 1.077 172 L CA 2.584 57.499 54.840 0.125 0.000 0.747 172 L CB -0.806 41.368 42.059 0.192 0.000 0.896 172 L HN 0.656 nan 8.230 nan 0.000 0.432 173 H N -1.636 117.426 119.070 -0.014 0.000 2.289 173 H HA -0.255 4.301 4.556 -0.000 0.000 0.296 173 H C 2.186 177.435 175.328 -0.131 0.000 1.091 173 H CA 1.570 57.594 56.048 -0.039 0.000 1.274 173 H CB 0.293 30.014 29.762 -0.069 0.000 1.364 173 H HN 0.370 nan 8.280 nan 0.000 0.490 174 Q N 0.410 120.081 119.800 -0.215 0.000 2.123 174 Q HA -0.076 4.264 4.340 -0.000 0.000 0.199 174 Q C 2.366 178.119 176.000 -0.412 0.000 0.966 174 Q CA 1.307 56.781 55.803 -0.549 0.000 0.845 174 Q CB -0.244 27.769 28.738 -1.209 0.000 0.907 174 Q HN 0.362 nan 8.270 nan 0.000 0.439 175 V N 0.102 119.858 119.914 -0.263 0.000 2.287 175 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 175 V C 2.124 178.250 176.094 0.054 0.000 1.053 175 V CA 2.245 64.399 62.300 -0.243 0.000 1.027 175 V CB -1.105 30.543 31.823 -0.291 0.000 0.646 175 V HN 0.440 nan 8.190 nan 0.000 0.447 176 T N 0.335 115.002 114.554 0.187 0.000 2.665 176 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 176 T C 1.791 176.573 174.700 0.136 0.000 1.035 176 T CA 2.075 64.335 62.100 0.266 0.000 1.151 176 T CB -0.335 68.708 68.868 0.293 0.000 0.862 176 T HN 0.358 nan 8.240 nan 0.000 0.438 177 I N 0.260 120.858 120.570 0.048 0.000 2.142 177 I HA -0.128 4.042 4.170 -0.000 0.000 0.240 177 I C 2.558 178.688 176.117 0.021 0.000 1.078 177 I CA 0.916 62.216 61.300 0.000 0.000 1.343 177 I CB -0.404 37.535 38.000 -0.100 0.000 1.046 177 I HN 0.080 nan 8.210 nan 0.000 0.405 178 V N 0.741 120.657 119.914 0.004 0.000 2.515 178 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 178 V C 2.228 178.409 176.094 0.145 0.000 1.058 178 V CA 1.476 63.822 62.300 0.077 0.000 1.064 178 V CB -0.136 31.754 31.823 0.113 0.000 0.675 178 V HN 0.336 nan 8.190 nan 0.000 0.461 179 M N 0.206 119.910 119.600 0.174 0.000 2.595 179 M HA 0.118 4.598 4.480 -0.000 0.000 0.248 179 M C 1.303 177.705 176.300 0.170 0.000 1.119 179 M CA 0.670 56.111 55.300 0.235 0.000 1.079 179 M CB -1.043 31.768 32.600 0.352 0.000 1.472 179 M HN 0.628 nan 8.290 nan 0.000 0.501 180 S N 0.896 116.666 115.700 0.116 0.000 2.652 180 S HA 0.089 4.559 4.470 -0.000 0.000 0.267 180 S C 1.078 175.713 174.600 0.057 0.000 1.201 180 S CA -0.095 58.144 58.200 0.065 0.000 0.996 180 S CB 0.735 63.956 63.200 0.036 0.000 1.054 180 S HN 0.401 nan 8.310 nan 0.000 0.561 181 D N 0.012 120.429 120.400 0.027 0.000 2.309 181 D HA -0.159 4.481 4.640 -0.000 0.000 0.212 181 D C 1.454 177.779 176.300 0.042 0.000 0.968 181 D CA 0.935 54.952 54.000 0.028 0.000 0.882 181 D CB -0.412 40.390 40.800 0.004 0.000 0.918 181 D HN 0.610 nan 8.370 nan 0.000 0.503 182 R N -0.023 120.506 120.500 0.049 0.000 2.313 182 R HA 0.184 4.524 4.340 -0.000 0.000 0.199 182 R C 2.217 178.569 176.300 0.086 0.000 0.958 182 R CA 0.484 56.624 56.100 0.066 0.000 1.047 182 R CB -0.087 30.254 30.300 0.068 0.000 0.955 182 R HN 0.289 nan 8.270 nan 0.000 0.481 183 G N 1.247 110.100 108.800 0.087 0.000 2.448 183 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.219 183 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.219 183 G C 0.770 175.733 174.900 0.106 0.000 1.127 183 G CA 0.464 45.627 45.100 0.105 0.000 0.766 183 G HN 0.188 nan 8.290 nan 0.000 0.552 184 I N 1.363 121.989 120.570 0.094 0.000 2.537 184 I HA 0.260 4.430 4.170 -0.000 0.000 0.276 184 I C -2.683 173.500 176.117 0.109 0.000 1.063 184 I CA -2.158 59.199 61.300 0.094 0.000 1.144 184 I CB 2.396 40.442 38.000 0.077 0.000 1.252 184 I HN -0.182 nan 8.210 nan 0.000 0.480 185 P HA 0.064 nan 4.420 nan 0.000 0.269 185 P C 0.759 178.158 177.300 0.164 0.000 1.209 185 P CA 0.071 63.262 63.100 0.152 0.000 0.776 185 P CB 1.162 32.984 31.700 0.203 0.000 0.876 186 A N 2.510 125.356 122.820 0.042 0.000 1.933 186 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 186 A C 1.016 178.422 177.584 -0.295 0.000 1.175 186 A CA 2.240 54.235 52.037 -0.070 0.000 0.628 186 A CB -0.981 17.922 19.000 -0.162 0.000 0.814 186 A HN 0.660 nan 8.150 nan 0.000 0.444 187 T N -6.818 107.603 114.554 -0.221 0.000 2.792 187 T HA 0.484 4.834 4.350 -0.000 0.000 0.303 187 T C 0.222 174.868 174.700 -0.091 0.000 1.310 187 T CA -0.440 61.399 62.100 -0.435 0.000 1.007 187 T CB 0.305 69.118 68.868 -0.092 0.000 1.335 187 T HN 0.054 nan 8.240 nan 0.000 0.504 188 Y N 0.690 120.985 120.300 -0.010 0.000 2.497 188 Y HA 0.132 4.682 4.550 -0.000 0.000 0.292 188 Y C 2.656 178.452 175.900 -0.173 0.000 1.137 188 Y CA 0.617 58.614 58.100 -0.172 0.000 1.285 188 Y CB -0.539 37.688 38.460 -0.388 0.000 0.991 188 Y HN 0.539 nan 8.280 nan 0.000 0.556 189 R N -0.973 119.552 120.500 0.041 0.000 2.275 189 R HA 0.004 4.344 4.340 -0.000 0.000 0.199 189 R C 0.235 176.300 176.300 -0.392 0.000 0.989 189 R CA 0.657 56.665 56.100 -0.153 0.000 1.016 189 R CB -0.093 30.009 30.300 -0.330 0.000 0.918 189 R HN 0.411 nan 8.270 nan 0.000 0.473 190 H N 0.627 119.703 119.070 0.011 0.000 2.490 190 H HA 0.241 4.796 4.556 -0.000 0.000 0.285 190 H C 0.084 175.421 175.328 0.015 0.000 1.127 190 H CA -0.021 56.008 56.048 -0.031 0.000 0.993 190 H CB 0.094 29.820 29.762 -0.060 0.000 1.653 190 H HN 0.176 nan 8.280 nan 0.000 0.557 191 M N -1.405 118.315 119.600 0.199 0.000 2.593 191 M HA 0.450 4.930 4.480 -0.000 0.000 0.290 191 M C -1.192 175.338 176.300 0.384 0.000 1.244 191 M CA -1.062 54.364 55.300 0.211 0.000 0.857 191 M CB 2.713 35.491 32.600 0.297 0.000 1.738 191 M HN -0.159 nan 8.290 nan 0.000 0.461 192 H N 0.281 119.550 119.070 0.331 0.000 2.546 192 H HA 0.722 5.278 4.556 -0.000 0.000 0.365 192 H C -0.124 175.011 175.328 -0.322 0.000 1.220 192 H CA -0.134 55.985 56.048 0.119 0.000 1.386 192 H CB 1.503 31.262 29.762 -0.006 0.000 1.510 192 H HN 0.937 nan 8.280 nan 0.000 0.591 193 G N 0.209 108.460 108.800 -0.916 0.000 2.482 193 G HA2 0.557 4.516 3.960 -0.000 0.000 0.317 193 G HA3 0.557 4.516 3.960 -0.000 0.000 0.317 193 G C -1.548 172.703 174.900 -1.082 0.000 1.241 193 G CA -0.459 43.594 45.100 -1.745 0.000 0.967 193 G HN 0.321 nan 8.290 nan 0.000 0.482 194 F N -0.312 119.499 119.950 -0.231 0.000 2.591 194 F HA 0.477 5.004 4.527 -0.000 0.000 0.309 194 F C 1.184 177.006 175.800 0.036 0.000 1.098 194 F CA -0.487 57.463 58.000 -0.082 0.000 0.937 194 F CB 2.354 41.248 39.000 -0.178 0.000 1.250 194 F HN 0.606 nan 8.300 nan 0.000 0.447 195 G N 0.311 109.307 108.800 0.326 0.000 2.443 195 G HA2 0.072 4.032 3.960 -0.000 0.000 0.219 195 G HA3 0.072 4.032 3.960 -0.000 0.000 0.219 195 G C 0.952 176.042 174.900 0.316 0.000 1.131 195 G CA 1.060 46.419 45.100 0.431 0.000 0.775 195 G HN 0.742 nan 8.290 nan 0.000 0.547 196 S N -1.021 114.741 115.700 0.104 0.000 2.260 196 S HA -0.241 4.229 4.470 -0.000 0.000 0.243 196 S C 0.849 175.310 174.600 -0.232 0.000 1.065 196 S CA 1.269 59.374 58.200 -0.157 0.000 2.199 196 S CB -1.322 61.713 63.200 -0.274 0.000 1.307 196 S HN 0.705 nan 8.310 nan 0.000 0.497 197 H N 2.486 121.526 119.070 -0.051 0.000 2.852 197 H HA 0.209 4.765 4.556 -0.000 0.000 0.362 197 H C 0.546 175.712 175.328 -0.269 0.000 1.122 197 H CA 1.030 56.927 56.048 -0.252 0.000 1.419 197 H CB -0.058 29.355 29.762 -0.581 0.000 1.401 197 H HN 0.400 nan 8.280 nan 0.000 0.609 198 T N 3.792 118.265 114.554 -0.135 0.000 2.853 198 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 198 T C 0.294 174.942 174.700 -0.087 0.000 0.978 198 T CA 0.300 62.356 62.100 -0.074 0.000 1.152 198 T CB -0.201 68.762 68.868 0.158 0.000 0.914 198 T HN 0.236 nan 8.240 nan 0.000 0.539 199 F N 0.777 120.830 119.950 0.172 0.000 2.656 199 F HA 0.661 5.188 4.527 -0.000 0.000 0.394 199 F C 0.889 176.902 175.800 0.355 0.000 1.168 199 F CA -0.885 57.286 58.000 0.284 0.000 1.135 199 F CB 1.172 40.379 39.000 0.345 0.000 1.480 199 F HN 0.522 nan 8.300 nan 0.000 0.500 200 S N -0.277 115.729 115.700 0.510 0.000 2.570 200 S HA 0.714 5.184 4.470 -0.000 0.000 0.286 200 S C -1.583 173.176 174.600 0.266 0.000 1.099 200 S CA -0.685 57.705 58.200 0.316 0.000 0.913 200 S CB 1.816 65.139 63.200 0.205 0.000 1.085 200 S HN 0.239 nan 8.310 nan 0.000 0.480 201 F N 1.291 121.316 119.950 0.125 0.000 2.480 201 F HA 0.637 5.164 4.527 -0.000 0.000 0.329 201 F C -0.238 175.620 175.800 0.096 0.000 1.091 201 F CA -2.028 56.043 58.000 0.118 0.000 0.972 201 F CB 1.667 40.758 39.000 0.152 0.000 1.150 201 F HN 0.464 nan 8.300 nan 0.000 0.467 202 I N 4.000 124.711 120.570 0.235 0.000 2.466 202 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 202 I C -0.246 175.919 176.117 0.081 0.000 1.026 202 I CA -0.860 60.509 61.300 0.116 0.000 1.078 202 I CB 1.342 39.366 38.000 0.039 0.000 1.249 202 I HN 0.519 nan 8.210 nan 0.000 0.429 203 N N 3.238 121.998 118.700 0.100 0.000 2.476 203 N HA 0.209 4.948 4.740 -0.000 0.000 0.287 203 N C 0.686 176.198 175.510 0.002 0.000 1.262 203 N CA -0.556 52.523 53.050 0.049 0.000 0.980 203 N CB 0.341 38.883 38.487 0.090 0.000 1.163 203 N HN 0.335 nan 8.380 nan 0.000 0.592 204 S N -1.222 114.466 115.700 -0.020 0.000 2.400 204 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 204 S C 0.127 174.704 174.600 -0.038 0.000 1.025 204 S CA 1.104 59.282 58.200 -0.038 0.000 0.993 204 S CB -0.427 62.748 63.200 -0.043 0.000 0.808 204 S HN 0.568 nan 8.310 nan 0.000 0.478 205 D N 0.789 121.175 120.400 -0.024 0.000 2.358 205 D HA 0.186 4.826 4.640 -0.000 0.000 0.224 205 D C 0.132 176.414 176.300 -0.030 0.000 1.123 205 D CA -0.028 53.955 54.000 -0.028 0.000 0.833 205 D CB -0.118 40.668 40.800 -0.023 0.000 0.946 205 D HN 0.125 nan 8.370 nan 0.000 0.505 206 N N 1.245 119.929 118.700 -0.027 0.000 2.741 206 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 206 N C -0.674 174.804 175.510 -0.054 0.000 1.112 206 N CA 0.683 53.712 53.050 -0.034 0.000 0.750 206 N CB -0.921 37.543 38.487 -0.038 0.000 1.119 206 N HN 0.473 nan 8.380 nan 0.000 0.561 207 E N 0.277 120.446 120.200 -0.053 0.000 2.331 207 E HA 0.214 4.564 4.350 -0.000 0.000 0.272 207 E C 0.506 177.003 176.600 -0.171 0.000 1.036 207 E CA -0.453 55.865 56.400 -0.136 0.000 0.864 207 E CB 1.411 31.026 29.700 -0.142 0.000 1.035 207 E HN 0.163 nan 8.360 nan 0.000 0.408 208 R N 2.688 122.986 120.500 -0.338 0.000 2.460 208 R HA 0.316 4.656 4.340 -0.000 0.000 0.303 208 R C -1.489 174.434 176.300 -0.629 0.000 0.968 208 R CA -0.447 55.431 56.100 -0.371 0.000 0.889 208 R CB 0.670 30.709 30.300 -0.435 0.000 1.123 208 R HN 0.516 nan 8.270 nan 0.000 0.455 209 Y N 2.412 122.584 120.300 -0.213 0.000 2.425 209 Y HA 0.321 4.871 4.550 -0.000 0.000 0.344 209 Y C -0.705 175.057 175.900 -0.231 0.000 0.969 209 Y CA -0.657 57.335 58.100 -0.179 0.000 1.052 209 Y CB 1.283 39.794 38.460 0.084 0.000 1.215 209 Y HN 0.540 nan 8.280 nan 0.000 0.451 210 W N 2.923 124.360 121.300 0.228 0.000 2.218 210 W HA 0.542 5.202 4.660 -0.000 0.000 0.326 210 W C -0.364 176.292 176.519 0.228 0.000 1.276 210 W CA -0.531 56.966 57.345 0.253 0.000 1.210 210 W CB 0.786 30.423 29.460 0.296 0.000 1.143 210 W HN 0.267 nan 8.180 nan 0.000 0.563 211 V N 3.765 123.845 119.914 0.276 0.000 2.925 211 V HA 0.515 4.635 4.120 -0.000 0.000 0.311 211 V C -1.013 174.779 176.094 -0.503 0.000 1.104 211 V CA -1.224 60.919 62.300 -0.262 0.000 0.954 211 V CB 2.071 33.294 31.823 -0.999 0.000 1.022 211 V HN 0.406 nan 8.190 nan 0.000 0.427 212 K N 4.721 124.731 120.400 -0.651 0.000 2.270 212 K HA 0.536 4.856 4.320 -0.000 0.000 0.255 212 K C -1.473 174.838 176.600 -0.481 0.000 0.936 212 K CA -0.204 55.730 56.287 -0.588 0.000 0.809 212 K CB 1.948 34.084 32.500 -0.606 0.000 1.131 212 K HN 0.546 nan 8.250 nan 0.000 0.427 213 F N 2.334 122.223 119.950 -0.101 0.000 2.408 213 F HA 0.306 4.832 4.527 -0.000 0.000 0.344 213 F C 0.899 176.507 175.800 -0.321 0.000 1.112 213 F CA -0.321 57.588 58.000 -0.151 0.000 1.096 213 F CB 0.939 39.912 39.000 -0.045 0.000 1.129 213 F HN 0.251 nan 8.300 nan 0.000 0.486 214 H N 3.816 122.730 119.070 -0.261 0.000 2.609 214 H HA 0.352 4.908 4.556 -0.000 0.000 0.344 214 H C -1.413 173.548 175.328 -0.611 0.000 1.040 214 H CA -0.689 55.146 56.048 -0.354 0.000 1.216 214 H CB 1.912 31.552 29.762 -0.203 0.000 1.529 214 H HN 0.447 nan 8.280 nan 0.000 0.519 215 F N 2.273 122.058 119.950 -0.275 0.000 2.382 215 F HA 0.225 4.752 4.527 -0.000 0.000 0.361 215 F C 0.079 175.873 175.800 -0.010 0.000 1.109 215 F CA -0.818 57.139 58.000 -0.070 0.000 1.031 215 F CB 1.421 40.337 39.000 -0.140 0.000 1.234 215 F HN 0.151 nan 8.300 nan 0.000 0.445 216 V N 2.494 122.542 119.914 0.224 0.000 2.383 216 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 216 V C 0.380 176.642 176.094 0.280 0.000 1.036 216 V CA -0.775 61.587 62.300 0.105 0.000 0.889 216 V CB 1.331 33.117 31.823 -0.062 0.000 0.985 216 V HN 0.764 nan 8.190 nan 0.000 0.459 217 S N 3.791 119.737 115.700 0.409 0.000 2.525 217 S HA 0.041 4.511 4.470 -0.000 0.000 0.285 217 S C 1.008 175.486 174.600 -0.205 0.000 1.283 217 S CA -0.088 57.975 58.200 -0.229 0.000 1.072 217 S CB 0.500 63.615 63.200 -0.141 0.000 0.867 217 S HN 0.801 nan 8.310 nan 0.000 0.492 218 Q N 2.884 122.448 119.800 -0.393 0.000 2.444 218 Q HA 0.016 4.356 4.340 -0.000 0.000 0.206 218 Q C 1.049 176.917 176.000 -0.221 0.000 0.948 218 Q CA 0.494 56.163 55.803 -0.224 0.000 0.946 218 Q CB 0.131 28.752 28.738 -0.194 0.000 1.027 218 Q HN 0.713 nan 8.270 nan 0.000 0.513 219 Q N -0.543 119.063 119.800 -0.323 0.000 2.384 219 Q HA 0.193 4.533 4.340 -0.000 0.000 0.207 219 Q C 0.492 176.451 176.000 -0.068 0.000 0.904 219 Q CA 0.529 56.179 55.803 -0.255 0.000 0.933 219 Q CB 1.131 29.542 28.738 -0.545 0.000 1.077 219 Q HN 0.363 nan 8.270 nan 0.000 0.522 220 G N 0.461 109.227 108.800 -0.056 0.000 2.796 220 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.571 220 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.571 220 G C -0.808 174.111 174.900 0.032 0.000 1.370 220 G CA -0.777 44.338 45.100 0.025 0.000 0.856 220 G HN 0.072 nan 8.290 nan 0.000 0.538 221 I N 0.921 121.492 120.570 0.001 0.000 2.365 221 I HA 0.486 4.656 4.170 -0.000 0.000 0.291 221 I C 0.633 176.754 176.117 0.008 0.000 1.004 221 I CA 0.045 61.330 61.300 -0.025 0.000 1.311 221 I CB 1.203 39.161 38.000 -0.070 0.000 1.401 221 I HN 0.506 nan 8.210 nan 0.000 0.491 222 K N 5.666 126.071 120.400 0.007 0.000 2.501 222 K HA 0.495 4.815 4.320 -0.000 0.000 0.252 222 K C -1.036 175.540 176.600 -0.041 0.000 0.934 222 K CA -0.840 55.395 56.287 -0.086 0.000 0.797 222 K CB 2.699 35.006 32.500 -0.322 0.000 1.270 222 K HN 0.496 nan 8.250 nan 0.000 0.431 223 N N 2.216 120.895 118.700 -0.035 0.000 2.380 223 N HA 0.539 5.279 4.740 -0.000 0.000 0.290 223 N C -1.045 174.462 175.510 -0.006 0.000 1.236 223 N CA -0.695 52.356 53.050 0.002 0.000 0.780 223 N CB 1.759 40.257 38.487 0.019 0.000 1.438 223 N HN 0.276 nan 8.380 nan 0.000 0.491 224 L N 0.711 121.947 121.223 0.021 0.000 2.334 224 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 224 L C 0.976 177.863 176.870 0.029 0.000 1.014 224 L CA -0.787 54.065 54.840 0.020 0.000 0.815 224 L CB 1.708 43.788 42.059 0.035 0.000 1.268 224 L HN 0.618 nan 8.230 nan 0.000 0.428 225 S N -0.380 115.333 115.700 0.022 0.000 2.608 225 S HA 0.083 4.553 4.470 -0.000 0.000 0.261 225 S C 0.549 175.171 174.600 0.038 0.000 1.314 225 S CA -0.558 57.660 58.200 0.029 0.000 0.992 225 S CB 0.952 64.165 63.200 0.021 0.000 0.935 225 S HN 0.623 nan 8.310 nan 0.000 0.564 226 D N 1.207 121.634 120.400 0.045 0.000 2.123 226 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 226 D C 2.193 178.515 176.300 0.037 0.000 0.992 226 D CA 1.858 55.888 54.000 0.048 0.000 0.833 226 D CB -0.862 39.972 40.800 0.057 0.000 0.954 226 D HN 0.689 nan 8.370 nan 0.000 0.455 227 A N 0.822 123.660 122.820 0.031 0.000 1.873 227 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 227 A C 2.106 179.703 177.584 0.021 0.000 1.186 227 A CA 1.501 53.553 52.037 0.024 0.000 0.616 227 A CB -0.525 18.487 19.000 0.020 0.000 0.823 227 A HN 0.195 nan 8.150 nan 0.000 0.442 228 E N -0.305 119.906 120.200 0.020 0.000 2.077 228 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 228 E C 2.324 178.938 176.600 0.023 0.000 0.989 228 E CA 0.931 57.340 56.400 0.016 0.000 0.800 228 E CB -0.278 29.427 29.700 0.010 0.000 0.746 228 E HN 0.609 nan 8.360 nan 0.000 0.452 229 A N 1.160 123.998 122.820 0.031 0.000 1.902 229 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 229 A C 2.423 180.026 177.584 0.031 0.000 1.181 229 A CA 1.721 53.781 52.037 0.038 0.000 0.623 229 A CB -1.221 17.805 19.000 0.043 0.000 0.818 229 A HN 0.368 nan 8.150 nan 0.000 0.443 230 G N -0.535 108.283 108.800 0.029 0.000 2.459 230 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 230 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 230 G C 1.514 176.426 174.900 0.021 0.000 1.183 230 G CA 1.126 46.240 45.100 0.025 0.000 0.776 230 G HN 0.636 nan 8.290 nan 0.000 0.552 231 E N -0.250 119.962 120.200 0.019 0.000 2.085 231 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 231 E C 2.457 179.067 176.600 0.017 0.000 0.994 231 E CA 1.028 57.438 56.400 0.016 0.000 0.801 231 E CB -0.180 29.527 29.700 0.013 0.000 0.743 231 E HN 0.316 nan 8.360 nan 0.000 0.453 232 L N 0.652 121.888 121.223 0.021 0.000 2.017 232 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 232 L C 2.364 179.251 176.870 0.028 0.000 1.073 232 L CA 1.418 56.274 54.840 0.026 0.000 0.745 232 L CB -0.737 41.344 42.059 0.036 0.000 0.894 232 L HN 0.001 nan 8.230 nan 0.000 0.432 233 V N 0.359 120.290 119.914 0.028 0.000 2.287 233 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 233 V C 2.670 178.776 176.094 0.020 0.000 1.053 233 V CA 1.868 64.182 62.300 0.023 0.000 1.027 233 V CB -1.796 30.038 31.823 0.019 0.000 0.646 233 V HN 0.655 nan 8.190 nan 0.000 0.447 234 G N -0.187 108.624 108.800 0.018 0.000 2.469 234 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.220 234 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.220 234 G C 1.376 176.286 174.900 0.016 0.000 1.136 234 G CA 1.479 46.589 45.100 0.016 0.000 0.759 234 G HN 0.654 nan 8.290 nan 0.000 0.562 235 N N -0.631 118.079 118.700 0.017 0.000 2.368 235 N HA 0.109 4.849 4.740 -0.000 0.000 0.176 235 N C -0.383 175.139 175.510 0.020 0.000 1.021 235 N CA 0.695 53.755 53.050 0.017 0.000 0.888 235 N CB 0.378 38.875 38.487 0.016 0.000 0.995 235 N HN 0.162 nan 8.380 nan 0.000 0.437 236 D N -0.961 119.453 120.400 0.024 0.000 2.591 236 D HA 0.228 4.868 4.640 -0.000 0.000 0.222 236 D C -0.388 175.931 176.300 0.033 0.000 1.360 236 D CA -0.406 53.611 54.000 0.029 0.000 0.967 236 D CB 0.828 41.647 40.800 0.033 0.000 1.456 236 D HN -0.261 nan 8.370 nan 0.000 0.588 237 R N 1.235 121.752 120.500 0.028 0.000 2.323 237 R HA 0.140 4.480 4.340 -0.000 0.000 0.198 237 R C 0.521 176.842 176.300 0.035 0.000 0.988 237 R CA 0.693 56.809 56.100 0.026 0.000 1.041 237 R CB 0.329 30.641 30.300 0.021 0.000 0.926 237 R HN 0.309 nan 8.270 nan 0.000 0.476 238 E N -1.066 119.161 120.200 0.045 0.000 2.685 238 E HA 0.089 4.439 4.350 -0.000 0.000 0.208 238 E C 0.712 177.365 176.600 0.089 0.000 0.996 238 E CA 0.168 56.604 56.400 0.061 0.000 1.054 238 E CB 0.638 30.363 29.700 0.042 0.000 1.075 238 E HN 0.199 nan 8.360 nan 0.000 0.460 239 S N 0.143 115.909 115.700 0.110 0.000 2.383 239 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 239 S C 1.670 176.338 174.600 0.114 0.000 1.030 239 S CA 1.059 59.334 58.200 0.126 0.000 1.002 239 S CB -0.536 62.763 63.200 0.165 0.000 0.829 239 S HN 0.476 nan 8.310 nan 0.000 0.467 240 H N 0.153 119.170 119.070 -0.087 0.000 2.465 240 H HA 0.113 4.669 4.556 -0.000 0.000 0.289 240 H C 2.463 177.817 175.328 0.043 0.000 1.022 240 H CA 1.075 57.003 56.048 -0.200 0.000 1.340 240 H CB -0.020 29.324 29.762 -0.695 0.000 1.437 240 H HN 0.455 nan 8.280 nan 0.000 0.539 241 Q N 2.140 122.093 119.800 0.255 0.000 2.020 241 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 241 Q C 2.358 178.460 176.000 0.170 0.000 0.982 241 Q CA 1.569 57.520 55.803 0.247 0.000 0.838 241 Q CB -0.148 28.694 28.738 0.174 0.000 0.899 241 Q HN 0.235 nan 8.270 nan 0.000 0.423 242 R N -0.158 120.411 120.500 0.114 0.000 2.083 242 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 242 R C 1.940 178.285 176.300 0.076 0.000 1.137 242 R CA 2.040 58.189 56.100 0.082 0.000 0.951 242 R CB -0.604 29.730 30.300 0.056 0.000 0.851 242 R HN 0.547 nan 8.270 nan 0.000 0.434 243 D N -0.267 120.163 120.400 0.050 0.000 2.104 243 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 243 D C 1.919 178.272 176.300 0.089 0.000 0.994 243 D CA 1.293 55.312 54.000 0.031 0.000 0.830 243 D CB -0.039 40.728 40.800 -0.055 0.000 0.959 243 D HN 0.202 nan 8.370 nan 0.000 0.452 244 L N -0.037 121.277 121.223 0.152 0.000 2.005 244 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 244 L C 2.239 179.226 176.870 0.195 0.000 1.072 244 L CA 1.427 56.397 54.840 0.217 0.000 0.744 244 L CB -1.018 41.241 42.059 0.333 0.000 0.895 244 L HN 0.289 nan 8.230 nan 0.000 0.433 245 L N -0.353 120.981 121.223 0.184 0.000 1.990 245 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 245 L C 2.040 178.994 176.870 0.140 0.000 1.072 245 L CA 2.243 57.183 54.840 0.166 0.000 0.755 245 L CB -0.887 41.263 42.059 0.151 0.000 0.889 245 L HN 0.331 nan 8.230 nan 0.000 0.432 246 D N -0.956 119.510 120.400 0.110 0.000 2.117 246 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 246 D C 2.342 178.687 176.300 0.075 0.000 0.982 246 D CA 1.447 55.496 54.000 0.082 0.000 0.828 246 D CB -0.193 40.642 40.800 0.058 0.000 0.967 246 D HN 0.352 nan 8.370 nan 0.000 0.464 247 S N 0.315 116.064 115.700 0.082 0.000 2.359 247 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 247 S C 2.172 176.825 174.600 0.089 0.000 1.035 247 S CA 0.682 58.921 58.200 0.065 0.000 1.018 247 S CB -0.217 63.028 63.200 0.075 0.000 0.876 247 S HN 0.259 nan 8.310 nan 0.000 0.448 248 I N 1.485 122.170 120.570 0.192 0.000 2.315 248 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 248 I C 1.951 178.230 176.117 0.271 0.000 1.117 248 I CA 1.020 62.523 61.300 0.338 0.000 1.404 248 I CB -0.330 37.886 38.000 0.360 0.000 1.071 248 I HN 0.140 nan 8.210 nan 0.000 0.419 249 D N 0.856 121.360 120.400 0.173 0.000 2.178 249 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 249 D C 1.438 177.780 176.300 0.071 0.000 0.980 249 D CA 1.276 55.353 54.000 0.130 0.000 0.842 249 D CB -0.438 40.425 40.800 0.106 0.000 0.948 249 D HN 0.443 nan 8.370 nan 0.000 0.472 250 N N 0.274 118.987 118.700 0.022 0.000 2.383 250 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 250 N C -0.231 175.186 175.510 -0.154 0.000 1.141 250 N CA -0.060 52.966 53.050 -0.040 0.000 0.851 250 N CB 0.283 38.750 38.487 -0.033 0.000 0.976 250 N HN 0.058 nan 8.380 nan 0.000 0.465 251 Q N -0.044 119.597 119.800 -0.265 0.000 2.494 251 Q HA -0.202 4.138 4.340 -0.000 0.000 0.266 251 Q C -0.920 174.490 176.000 -0.983 0.000 1.053 251 Q CA 0.531 55.831 55.803 -0.838 0.000 1.029 251 Q CB -1.258 27.195 28.738 -0.475 0.000 1.423 251 Q HN 0.320 nan 8.270 nan 0.000 0.516 252 D N 0.326 120.412 120.400 -0.523 0.000 2.639 252 D HA 0.185 4.825 4.640 -0.000 0.000 0.233 252 D C -0.712 175.494 176.300 -0.156 0.000 1.161 252 D CA -0.243 53.576 54.000 -0.301 0.000 1.003 252 D CB -0.355 40.364 40.800 -0.134 0.000 1.034 252 D HN 0.124 nan 8.370 nan 0.000 0.514 253 F N 3.187 123.156 119.950 0.030 0.000 2.502 253 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 253 F C -1.229 174.573 175.800 0.003 0.000 1.083 253 F CA -1.916 56.115 58.000 0.051 0.000 1.174 253 F CB 0.426 39.473 39.000 0.078 0.000 1.096 253 F HN 0.153 nan 8.300 nan 0.000 0.545 254 P HA 0.227 nan 4.420 nan 0.000 0.275 254 P C -1.167 176.087 177.300 -0.076 0.000 1.228 254 P CA -0.475 62.578 63.100 -0.077 0.000 0.786 254 P CB 1.342 33.009 31.700 -0.055 0.000 0.927 255 K N 1.538 121.690 120.400 -0.414 0.000 2.469 255 K HA 0.536 4.856 4.320 -0.000 0.000 0.254 255 K C -1.049 175.242 176.600 -0.515 0.000 0.939 255 K CA -0.476 55.654 56.287 -0.263 0.000 0.812 255 K CB 2.329 34.762 32.500 -0.111 0.000 1.301 255 K HN 0.516 nan 8.250 nan 0.000 0.433 256 W N 1.029 122.100 121.300 -0.382 0.000 2.915 256 W HA 0.248 4.908 4.660 -0.000 0.000 0.337 256 W C -0.701 175.812 176.519 -0.009 0.000 1.102 256 W CA -0.653 56.577 57.345 -0.192 0.000 1.224 256 W CB 2.520 31.852 29.460 -0.213 0.000 1.416 256 W HN 0.404 nan 8.180 nan 0.000 0.503 257 T N 3.764 118.485 114.554 0.278 0.000 2.743 257 T HA 0.195 4.545 4.350 -0.000 0.000 0.293 257 T C -0.274 174.591 174.700 0.276 0.000 0.945 257 T CA -0.491 61.755 62.100 0.243 0.000 1.030 257 T CB 0.860 69.796 68.868 0.114 0.000 0.912 257 T HN 0.184 nan 8.240 nan 0.000 0.483 258 L N 5.058 126.493 121.223 0.353 0.000 2.361 258 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 258 L C -0.202 176.679 176.870 0.018 0.000 1.113 258 L CA 0.401 55.313 54.840 0.119 0.000 0.849 258 L CB -0.255 42.038 42.059 0.390 0.000 1.155 258 L HN 0.503 nan 8.230 nan 0.000 0.452 259 K N 4.772 125.111 120.400 -0.103 0.000 2.385 259 K HA 0.787 5.107 4.320 -0.000 0.000 0.248 259 K C -1.325 175.218 176.600 -0.095 0.000 0.955 259 K CA -0.987 55.236 56.287 -0.107 0.000 0.816 259 K CB 2.570 34.980 32.500 -0.149 0.000 1.250 259 K HN 0.486 nan 8.250 nan 0.000 0.434 260 V N -1.434 118.407 119.914 -0.123 0.000 2.914 260 V HA 0.486 4.606 4.120 -0.000 0.000 0.314 260 V C -1.058 174.931 176.094 -0.175 0.000 1.084 260 V CA -1.015 61.200 62.300 -0.141 0.000 0.963 260 V CB 1.797 33.516 31.823 -0.174 0.000 1.025 260 V HN 0.729 nan 8.190 nan 0.000 0.432 261 Q N 2.700 122.414 119.800 -0.143 0.000 2.282 261 Q HA 0.739 5.079 4.340 -0.000 0.000 0.260 261 Q C -1.168 174.843 176.000 0.017 0.000 0.964 261 Q CA -0.537 55.254 55.803 -0.019 0.000 0.880 261 Q CB 2.734 31.558 28.738 0.143 0.000 1.286 261 Q HN 0.770 nan 8.270 nan 0.000 0.445 262 I N 2.721 123.308 120.570 0.028 0.000 2.447 262 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 262 I C -0.843 175.306 176.117 0.052 0.000 1.023 262 I CA -0.533 60.739 61.300 -0.048 0.000 1.083 262 I CB 1.693 39.430 38.000 -0.438 0.000 1.245 262 I HN 0.499 nan 8.210 nan 0.000 0.434 263 M N 8.944 128.575 119.600 0.050 0.000 2.181 263 M HA 0.526 5.006 4.480 -0.000 0.000 0.323 263 M C -2.712 173.667 176.300 0.132 0.000 1.004 263 M CA -1.633 53.584 55.300 -0.138 0.000 0.941 263 M CB 2.206 34.283 32.600 -0.871 0.000 1.579 263 M HN 0.110 nan 8.290 nan 0.000 0.427 264 P HA 0.016 nan 4.420 nan 0.000 0.266 264 P C 0.054 177.346 177.300 -0.014 0.000 1.195 264 P CA 0.266 63.435 63.100 0.114 0.000 0.768 264 P CB 0.458 32.242 31.700 0.141 0.000 0.838 265 E N 2.508 122.581 120.200 -0.211 0.000 2.147 265 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 265 E C 1.757 178.420 176.600 0.105 0.000 1.005 265 E CA 1.745 58.048 56.400 -0.163 0.000 0.810 265 E CB -0.258 29.255 29.700 -0.312 0.000 0.736 265 E HN 0.525 nan 8.360 nan 0.000 0.460 266 A N 1.022 123.857 122.820 0.024 0.000 1.933 266 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 266 A C 1.656 179.265 177.584 0.042 0.000 1.175 266 A CA 1.785 53.844 52.037 0.038 0.000 0.628 266 A CB -0.393 18.611 19.000 0.006 0.000 0.814 266 A HN 0.209 nan 8.150 nan 0.000 0.444 267 D N 0.144 120.568 120.400 0.041 0.000 2.221 267 D HA -0.042 4.598 4.640 -0.000 0.000 0.204 267 D C 2.064 178.319 176.300 -0.073 0.000 0.982 267 D CA 1.258 55.259 54.000 0.002 0.000 0.857 267 D CB -0.238 40.589 40.800 0.045 0.000 0.934 267 D HN 0.459 nan 8.370 nan 0.000 0.475 268 A N 0.600 123.406 122.820 -0.023 0.000 1.972 268 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 268 A C 2.189 179.699 177.584 -0.124 0.000 1.169 268 A CA 1.714 53.663 52.037 -0.147 0.000 0.635 268 A CB -0.520 18.468 19.000 -0.020 0.000 0.810 268 A HN 0.232 nan 8.150 nan 0.000 0.446 269 A N -0.804 121.997 122.820 -0.030 0.000 2.206 269 A HA 0.154 4.474 4.320 -0.000 0.000 0.211 269 A C 2.005 179.542 177.584 -0.079 0.000 1.158 269 A CA 1.891 53.906 52.037 -0.036 0.000 0.761 269 A CB -0.601 18.401 19.000 0.003 0.000 0.801 269 A HN 0.734 nan 8.150 nan 0.000 0.473 270 T N -3.409 111.078 114.554 -0.113 0.000 2.954 270 T HA 0.257 4.607 4.350 -0.000 0.000 0.252 270 T C 0.549 175.131 174.700 -0.197 0.000 0.983 270 T CA 0.465 62.491 62.100 -0.123 0.000 0.941 270 T CB -1.139 67.679 68.868 -0.083 0.000 1.141 270 T HN 0.517 nan 8.240 nan 0.000 0.500 271 V N 1.834 121.567 119.914 -0.302 0.000 2.872 271 V HA 0.281 4.401 4.120 -0.000 0.000 0.307 271 V C -0.776 174.985 176.094 -0.556 0.000 1.072 271 V CA -1.253 60.727 62.300 -0.533 0.000 1.148 271 V CB 0.125 31.416 31.823 -0.887 0.000 0.954 271 V HN 0.126 nan 8.190 nan 0.000 0.490 272 P HA 0.004 nan 4.420 nan 0.000 0.223 272 P C -0.005 177.179 177.300 -0.192 0.000 1.151 272 P CA 1.090 64.027 63.100 -0.271 0.000 0.787 272 P CB -0.165 31.464 31.700 -0.119 0.000 0.788 273 Y N -1.451 118.818 120.300 -0.051 0.000 2.420 273 Y HA 0.592 5.142 4.550 -0.000 0.000 0.334 273 Y C 0.377 176.226 175.900 -0.085 0.000 1.094 273 Y CA -2.751 55.322 58.100 -0.045 0.000 1.126 273 Y CB -0.328 38.130 38.460 -0.004 0.000 1.217 273 Y HN -0.327 nan 8.280 nan 0.000 0.462 274 N N 4.320 123.087 118.700 0.113 0.000 2.429 274 N HA 0.060 4.800 4.740 -0.000 0.000 0.271 274 N C -1.817 173.724 175.510 0.051 0.000 1.272 274 N CA -1.973 51.096 53.050 0.030 0.000 0.921 274 N CB 0.650 39.176 38.487 0.064 0.000 1.128 274 N HN 0.521 nan 8.380 nan 0.000 0.481 275 P HA -0.004 nan 4.420 nan 0.000 0.237 275 P C -0.009 177.134 177.300 -0.261 0.000 1.178 275 P CA 0.822 63.783 63.100 -0.231 0.000 0.766 275 P CB -0.015 31.202 31.700 -0.805 0.000 0.876 276 F N -0.714 119.265 119.950 0.048 0.000 2.639 276 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 276 F C 0.731 176.531 175.800 0.001 0.000 1.097 276 F CA -1.114 56.864 58.000 -0.037 0.000 1.294 276 F CB -0.324 38.584 39.000 -0.153 0.000 1.027 276 F HN -0.174 nan 8.300 nan 0.000 0.550 277 D N 1.444 121.931 120.400 0.145 0.000 2.339 277 D HA 0.060 4.700 4.640 -0.000 0.000 0.241 277 D C 1.153 177.490 176.300 0.061 0.000 1.183 277 D CA -0.004 54.057 54.000 0.103 0.000 0.859 277 D CB 1.156 42.013 40.800 0.095 0.000 1.067 277 D HN 0.133 nan 8.370 nan 0.000 0.484 278 L N 4.113 125.367 121.223 0.051 0.000 2.362 278 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 278 L C 2.080 178.934 176.870 -0.027 0.000 1.134 278 L CA 1.698 56.535 54.840 -0.004 0.000 0.807 278 L CB -0.626 41.452 42.059 0.031 0.000 0.927 278 L HN 0.590 nan 8.230 nan 0.000 0.447 279 T N -3.970 110.593 114.554 0.015 0.000 3.148 279 T HA 0.071 4.421 4.350 -0.000 0.000 0.253 279 T C 0.698 175.456 174.700 0.097 0.000 1.134 279 T CA 0.044 62.155 62.100 0.018 0.000 1.051 279 T CB -0.282 68.618 68.868 0.053 0.000 0.959 279 T HN 0.220 nan 8.240 nan 0.000 0.525 280 K N 1.198 121.627 120.400 0.050 0.000 2.375 280 K HA 0.629 4.949 4.320 -0.000 0.000 0.249 280 K C -0.515 176.076 176.600 -0.015 0.000 0.942 280 K CA -1.050 55.283 56.287 0.077 0.000 0.806 280 K CB 2.890 35.429 32.500 0.064 0.000 1.227 280 K HN 0.126 nan 8.250 nan 0.000 0.430 281 V N -1.776 118.142 119.914 0.007 0.000 3.096 281 V HA 0.562 4.682 4.120 -0.000 0.000 0.319 281 V C -0.995 175.097 176.094 -0.003 0.000 1.082 281 V CA -0.876 61.395 62.300 -0.048 0.000 1.022 281 V CB 0.926 32.759 31.823 0.017 0.000 1.103 281 V HN 0.603 nan 8.190 nan 0.000 0.455 282 W N 0.998 122.205 121.300 -0.155 0.000 2.335 282 W HA 0.564 5.224 4.660 -0.000 0.000 0.307 282 W C -2.479 174.039 176.519 -0.003 0.000 1.117 282 W CA -2.916 54.312 57.345 -0.196 0.000 1.228 282 W CB -0.204 29.235 29.460 -0.035 0.000 1.240 282 W HN 0.433 nan 8.180 nan 0.000 0.468 283 P HA -0.069 nan 4.420 nan 0.000 0.261 283 P C 0.770 178.257 177.300 0.311 0.000 1.183 283 P CA 0.604 63.828 63.100 0.207 0.000 0.761 283 P CB 0.627 32.401 31.700 0.123 0.000 0.785 284 H N 2.397 121.524 119.070 0.094 0.000 2.387 284 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 284 H C 1.540 176.889 175.328 0.035 0.000 1.099 284 H CA 1.631 57.718 56.048 0.065 0.000 1.315 284 H CB -0.231 29.541 29.762 0.016 0.000 1.380 284 H HN 0.439 nan 8.280 nan 0.000 0.513 285 K N -0.031 120.456 120.400 0.145 0.000 2.211 285 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 285 K C 1.265 177.845 176.600 -0.035 0.000 1.047 285 K CA 1.413 57.727 56.287 0.046 0.000 0.935 285 K CB 0.161 32.680 32.500 0.032 0.000 0.728 285 K HN 0.340 nan 8.250 nan 0.000 0.452 286 D N -0.895 119.476 120.400 -0.049 0.000 2.162 286 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 286 D C -0.139 175.742 176.300 -0.699 0.000 0.964 286 D CA 1.171 54.977 54.000 -0.324 0.000 0.847 286 D CB 0.270 40.970 40.800 -0.167 0.000 0.988 286 D HN 0.122 nan 8.370 nan 0.000 0.480 287 Y N -0.080 120.256 120.300 0.060 0.000 2.535 287 Y HA 0.338 4.888 4.550 -0.000 0.000 0.341 287 Y C -2.394 173.489 175.900 -0.029 0.000 1.041 287 Y CA -2.399 55.722 58.100 0.035 0.000 1.307 287 Y CB 1.743 40.276 38.460 0.120 0.000 1.095 287 Y HN -0.196 nan 8.280 nan 0.000 0.534 288 P HA 0.031 nan 4.420 nan 0.000 0.272 288 P C -0.468 176.751 177.300 -0.135 0.000 1.230 288 P CA -0.346 62.720 63.100 -0.057 0.000 0.788 288 P CB 0.856 32.534 31.700 -0.036 0.000 0.949 289 L N 2.752 123.835 121.223 -0.234 0.000 2.462 289 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 289 L C 0.279 177.040 176.870 -0.182 0.000 1.166 289 L CA 0.584 55.254 54.840 -0.284 0.000 0.880 289 L CB -0.733 41.129 42.059 -0.328 0.000 1.142 289 L HN 0.262 nan 8.230 nan 0.000 0.473 290 I N 3.084 123.547 120.570 -0.179 0.000 2.362 290 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 290 I C 0.372 176.383 176.117 -0.176 0.000 0.994 290 I CA -0.602 60.604 61.300 -0.156 0.000 1.158 290 I CB 1.474 39.390 38.000 -0.140 0.000 1.315 290 I HN 0.570 nan 8.210 nan 0.000 0.451 291 E N 4.350 124.400 120.200 -0.251 0.000 2.373 291 E HA 0.199 4.549 4.350 -0.000 0.000 0.267 291 E C -0.138 176.315 176.600 -0.245 0.000 1.032 291 E CA -0.064 56.146 56.400 -0.316 0.000 0.889 291 E CB 1.141 30.500 29.700 -0.568 0.000 0.984 291 E HN 0.484 nan 8.360 nan 0.000 0.425 292 V N 2.497 122.381 119.914 -0.050 0.000 3.102 292 V HA 0.441 4.561 4.120 -0.000 0.000 0.225 292 V C 0.691 176.929 176.094 0.240 0.000 1.301 292 V CA 0.466 62.811 62.300 0.076 0.000 1.308 292 V CB 0.719 32.542 31.823 0.000 0.000 1.129 292 V HN 0.811 nan 8.190 nan 0.000 0.502 293 G N 0.393 109.359 108.800 0.277 0.000 2.427 293 G HA2 0.572 4.532 3.960 -0.000 0.000 0.306 293 G HA3 0.572 4.532 3.960 -0.000 0.000 0.306 293 G C -1.990 173.040 174.900 0.217 0.000 1.280 293 G CA 0.003 45.192 45.100 0.149 0.000 0.837 293 G HN 0.412 nan 8.290 nan 0.000 0.482 294 E N -1.482 118.735 120.200 0.029 0.000 2.383 294 E HA 0.710 5.060 4.350 -0.000 0.000 0.275 294 E C -1.489 175.338 176.600 0.378 0.000 0.918 294 E CA -1.122 55.433 56.400 0.259 0.000 0.764 294 E CB 2.539 32.325 29.700 0.144 0.000 1.252 294 E HN 0.945 nan 8.360 nan 0.000 0.449 295 F N -0.395 119.872 119.950 0.529 0.000 2.532 295 F HA 0.655 5.182 4.527 -0.000 0.000 0.321 295 F C -0.788 175.251 175.800 0.397 0.000 1.089 295 F CA -0.922 57.371 58.000 0.489 0.000 0.926 295 F CB 1.723 41.091 39.000 0.614 0.000 1.168 295 F HN 0.617 nan 8.300 nan 0.000 0.459 296 E N 4.325 124.803 120.200 0.464 0.000 2.238 296 E HA 0.606 4.956 4.350 -0.000 0.000 0.267 296 E C -1.868 174.953 176.600 0.367 0.000 0.887 296 E CA -0.993 55.609 56.400 0.336 0.000 0.769 296 E CB 2.320 32.144 29.700 0.206 0.000 1.187 296 E HN 0.851 nan 8.360 nan 0.000 0.416 297 L N 3.585 125.023 121.223 0.359 0.000 2.264 297 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 297 L C -0.159 176.743 176.870 0.053 0.000 1.044 297 L CA -0.668 54.315 54.840 0.239 0.000 0.807 297 L CB 0.485 42.729 42.059 0.309 0.000 1.192 297 L HN 0.728 nan 8.230 nan 0.000 0.425 298 N N 1.908 120.514 118.700 -0.157 0.000 2.167 298 N HA 0.137 4.877 4.740 -0.000 0.000 0.234 298 N C -0.126 175.200 175.510 -0.306 0.000 1.312 298 N CA -0.567 52.045 53.050 -0.730 0.000 0.861 298 N CB 0.679 38.505 38.487 -1.101 0.000 1.217 298 N HN 0.479 nan 8.380 nan 0.000 0.504 299 R N 0.227 120.735 120.500 0.012 0.000 2.508 299 R HA 0.336 4.676 4.340 -0.000 0.000 0.283 299 R C -1.531 174.917 176.300 0.247 0.000 1.120 299 R CA -0.461 55.718 56.100 0.133 0.000 0.958 299 R CB 0.961 31.332 30.300 0.117 0.000 1.215 299 R HN 0.150 nan 8.270 nan 0.000 0.427 300 N N 4.055 122.892 118.700 0.228 0.000 2.525 300 N HA 0.232 4.972 4.740 -0.000 0.000 0.271 300 N C -2.427 173.260 175.510 0.295 0.000 1.194 300 N CA -1.235 51.959 53.050 0.240 0.000 0.964 300 N CB 0.846 39.456 38.487 0.204 0.000 1.126 300 N HN 0.285 nan 8.380 nan 0.000 0.452 301 P HA 0.062 nan 4.420 nan 0.000 0.275 301 P C 0.046 177.486 177.300 0.232 0.000 1.228 301 P CA -0.288 63.022 63.100 0.349 0.000 0.786 301 P CB 0.789 32.654 31.700 0.276 0.000 0.927 302 Q N 0.946 120.855 119.800 0.183 0.000 2.123 302 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 302 Q C 0.375 176.463 176.000 0.147 0.000 0.966 302 Q CA 1.464 57.348 55.803 0.135 0.000 0.845 302 Q CB -0.154 28.637 28.738 0.088 0.000 0.907 302 Q HN 0.504 nan 8.270 nan 0.000 0.439 303 N N -0.563 118.229 118.700 0.154 0.000 2.491 303 N HA 0.015 4.755 4.740 -0.000 0.000 0.274 303 N C -0.242 175.390 175.510 0.203 0.000 1.023 303 N CA -0.095 53.063 53.050 0.179 0.000 0.902 303 N CB 0.969 39.549 38.487 0.155 0.000 1.267 303 N HN -0.036 nan 8.380 nan 0.000 0.503 304 Y N 4.928 125.310 120.300 0.136 0.000 2.145 304 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 304 Y C 1.736 177.706 175.900 0.117 0.000 1.145 304 Y CA 1.712 59.887 58.100 0.126 0.000 1.148 304 Y CB -0.230 38.309 38.460 0.131 0.000 0.981 304 Y HN 0.642 nan 8.280 nan 0.000 0.507 305 F N 0.602 120.688 119.950 0.225 0.000 2.069 305 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 305 F C 2.342 178.119 175.800 -0.038 0.000 1.113 305 F CA 2.206 60.267 58.000 0.101 0.000 1.214 305 F CB -0.903 38.164 39.000 0.112 0.000 0.978 305 F HN 0.066 nan 8.300 nan 0.000 0.474 306 A N -0.532 122.326 122.820 0.062 0.000 1.969 306 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 306 A C 2.013 179.467 177.584 -0.218 0.000 1.169 306 A CA 1.806 53.803 52.037 -0.066 0.000 0.635 306 A CB -0.596 18.462 19.000 0.097 0.000 0.810 306 A HN 0.620 nan 8.150 nan 0.000 0.445 307 E N -1.296 118.777 120.200 -0.210 0.000 2.372 307 E HA 0.095 4.445 4.350 -0.000 0.000 0.201 307 E C 1.541 177.859 176.600 -0.470 0.000 0.938 307 E CA 0.636 56.855 56.400 -0.301 0.000 0.944 307 E CB 0.375 30.009 29.700 -0.111 0.000 0.937 307 E HN 0.384 nan 8.360 nan 0.000 0.495 308 V N 0.618 120.252 119.914 -0.467 0.000 2.721 308 V HA -0.062 4.058 4.120 -0.000 0.000 0.236 308 V C 2.098 177.897 176.094 -0.492 0.000 1.116 308 V CA 1.005 63.016 62.300 -0.483 0.000 1.148 308 V CB -0.040 31.280 31.823 -0.839 0.000 0.886 308 V HN 0.030 nan 8.190 nan 0.000 0.490 309 E N 0.993 120.822 120.200 -0.618 0.000 2.085 309 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 309 E C 2.125 178.477 176.600 -0.413 0.000 0.994 309 E CA 1.658 57.828 56.400 -0.384 0.000 0.801 309 E CB -0.219 29.317 29.700 -0.273 0.000 0.743 309 E HN 0.605 nan 8.360 nan 0.000 0.453 310 Q N -0.355 119.112 119.800 -0.555 0.000 2.444 310 Q HA 0.218 4.558 4.340 -0.000 0.000 0.206 310 Q C -0.099 175.688 176.000 -0.356 0.000 0.948 310 Q CA 0.227 55.754 55.803 -0.461 0.000 0.946 310 Q CB 0.355 28.794 28.738 -0.497 0.000 1.027 310 Q HN 0.216 nan 8.270 nan 0.000 0.513 311 A N 1.060 123.659 122.820 -0.368 0.000 2.477 311 A HA 0.466 4.786 4.320 -0.000 0.000 0.246 311 A C -0.189 177.187 177.584 -0.347 0.000 1.078 311 A CA 0.186 51.964 52.037 -0.430 0.000 0.770 311 A CB 0.281 19.038 19.000 -0.405 0.000 1.011 311 A HN 0.259 nan 8.150 nan 0.000 0.494 312 A N 2.246 124.802 122.820 -0.440 0.000 2.353 312 A HA 0.706 5.026 4.320 -0.000 0.000 0.299 312 A C -1.027 176.339 177.584 -0.364 0.000 1.089 312 A CA -0.407 51.470 52.037 -0.267 0.000 0.736 312 A CB 0.494 19.394 19.000 -0.167 0.000 1.195 312 A HN 0.661 nan 8.150 nan 0.000 0.447 313 F N 1.675 121.583 119.950 -0.070 0.000 2.426 313 F HA 0.425 4.952 4.527 -0.000 0.000 0.348 313 F C 0.539 176.286 175.800 -0.089 0.000 1.124 313 F CA -0.325 57.603 58.000 -0.120 0.000 1.008 313 F CB 1.971 40.854 39.000 -0.196 0.000 1.139 313 F HN 0.682 nan 8.300 nan 0.000 0.452 314 N N 5.036 123.760 118.700 0.040 0.000 2.518 314 N HA 0.303 5.043 4.740 -0.000 0.000 0.254 314 N C -2.206 173.256 175.510 -0.079 0.000 0.979 314 N CA -1.989 51.047 53.050 -0.023 0.000 0.930 314 N CB 1.768 40.285 38.487 0.050 0.000 1.152 314 N HN 0.163 nan 8.380 nan 0.000 0.505 315 P HA -0.168 nan 4.420 nan 0.000 0.218 315 P C 0.747 178.129 177.300 0.137 0.000 1.146 315 P CA 0.969 64.010 63.100 -0.098 0.000 0.820 315 P CB 0.223 31.746 31.700 -0.296 0.000 0.778 316 A N -1.222 121.628 122.820 0.051 0.000 2.168 316 A HA -0.103 4.216 4.320 -0.000 0.000 0.215 316 A C 1.054 178.839 177.584 0.336 0.000 1.152 316 A CA 0.632 52.770 52.037 0.168 0.000 0.716 316 A CB -1.296 17.715 19.000 0.019 0.000 0.794 316 A HN 0.272 nan 8.150 nan 0.000 0.465 317 N N 0.131 118.967 118.700 0.226 0.000 2.739 317 N HA 0.351 5.091 4.740 -0.000 0.000 0.266 317 N C -0.729 174.944 175.510 0.271 0.000 1.168 317 N CA -0.302 52.865 53.050 0.195 0.000 1.055 317 N CB 0.766 39.319 38.487 0.111 0.000 1.393 317 N HN 0.153 nan 8.380 nan 0.000 0.514 318 V N 1.586 121.639 119.914 0.232 0.000 3.234 318 V HA 0.562 4.682 4.120 -0.000 0.000 0.317 318 V C -0.148 175.933 176.094 -0.023 0.000 1.147 318 V CA -0.625 61.745 62.300 0.117 0.000 1.037 318 V CB 2.155 33.968 31.823 -0.015 0.000 1.148 318 V HN 0.202 nan 8.190 nan 0.000 0.455 319 V N -0.219 119.584 119.914 -0.185 0.000 3.040 319 V HA 0.695 4.815 4.120 -0.000 0.000 0.312 319 V C -2.877 173.116 176.094 -0.169 0.000 1.115 319 V CA -2.864 59.334 62.300 -0.170 0.000 0.998 319 V CB 1.435 33.141 31.823 -0.196 0.000 1.042 319 V HN 0.700 nan 8.190 nan 0.000 0.433 320 P HA 0.320 nan 4.420 nan 0.000 0.262 320 P C 0.983 178.257 177.300 -0.044 0.000 1.182 320 P CA 2.030 65.137 63.100 0.011 0.000 0.761 320 P CB 0.589 32.414 31.700 0.209 0.000 0.795 321 G N 2.478 111.260 108.800 -0.031 0.000 2.232 321 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.226 321 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.226 321 G C -0.002 174.899 174.900 0.001 0.000 0.996 321 G CA -0.305 44.767 45.100 -0.047 0.000 0.626 321 G HN 0.496 nan 8.290 nan 0.000 0.509 322 I N 0.849 121.384 120.570 -0.058 0.000 2.545 322 I HA 0.721 4.891 4.170 -0.000 0.000 0.292 322 I C 0.141 176.200 176.117 -0.096 0.000 1.040 322 I CA -0.652 60.656 61.300 0.014 0.000 1.068 322 I CB 2.084 39.925 38.000 -0.266 0.000 1.251 322 I HN 0.161 nan 8.210 nan 0.000 0.424 323 S N 3.672 119.358 115.700 -0.023 0.000 2.973 323 S HA 0.703 5.173 4.470 -0.000 0.000 0.317 323 S C -0.884 173.695 174.600 -0.036 0.000 1.196 323 S CA -0.408 57.606 58.200 -0.311 0.000 0.894 323 S CB 0.931 63.986 63.200 -0.243 0.000 1.292 323 S HN 0.304 nan 8.310 nan 0.000 0.614 324 F N 1.807 121.946 119.950 0.315 0.000 2.355 324 F HA 0.784 5.311 4.527 -0.000 0.000 0.340 324 F C 0.982 176.948 175.800 0.277 0.000 1.067 324 F CA -0.257 57.907 58.000 0.272 0.000 1.116 324 F CB 0.249 39.329 39.000 0.133 0.000 1.582 324 F HN 0.625 nan 8.300 nan 0.000 0.512 325 S N -0.819 115.046 115.700 0.275 0.000 2.596 325 S HA 0.485 4.955 4.470 -0.000 0.000 0.270 325 S C -2.738 171.707 174.600 -0.259 0.000 1.155 325 S CA -1.139 57.068 58.200 0.011 0.000 0.827 325 S CB 1.758 64.912 63.200 -0.075 0.000 1.130 325 S HN 0.283 nan 8.310 nan 0.000 0.467 326 P HA 0.129 nan 4.420 nan 0.000 0.253 326 P C -0.250 176.787 177.300 -0.438 0.000 1.281 326 P CA 0.104 62.874 63.100 -0.550 0.000 0.792 326 P CB -0.669 30.607 31.700 -0.706 0.000 1.193 327 D N 1.443 121.646 120.400 -0.328 0.000 2.479 327 D HA -0.072 4.568 4.640 -0.000 0.000 0.257 327 D C 1.129 177.364 176.300 -0.109 0.000 1.230 327 D CA 0.411 54.357 54.000 -0.090 0.000 0.912 327 D CB 0.754 41.547 40.800 -0.013 0.000 1.130 327 D HN 0.052 nan 8.370 nan 0.000 0.515 328 K N 3.659 124.032 120.400 -0.044 0.000 2.147 328 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 328 K C 1.916 178.500 176.600 -0.026 0.000 1.049 328 K CA 0.781 57.051 56.287 -0.029 0.000 0.936 328 K CB 0.015 32.530 32.500 0.026 0.000 0.722 328 K HN 0.517 nan 8.250 nan 0.000 0.446 329 M N 0.547 120.153 119.600 0.010 0.000 2.099 329 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 329 M C 2.326 178.553 176.300 -0.122 0.000 1.067 329 M CA 1.145 56.472 55.300 0.045 0.000 1.124 329 M CB -0.822 31.896 32.600 0.196 0.000 1.353 329 M HN 0.148 nan 8.290 nan 0.000 0.410 330 L N 1.043 122.023 121.223 -0.404 0.000 2.046 330 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 330 L C 2.480 179.126 176.870 -0.373 0.000 1.077 330 L CA 1.846 56.254 54.840 -0.720 0.000 0.747 330 L CB -0.836 40.665 42.059 -0.931 0.000 0.896 330 L HN 0.295 nan 8.230 nan 0.000 0.432 331 Q N -0.176 119.472 119.800 -0.254 0.000 2.077 331 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 331 Q C 2.152 178.080 176.000 -0.120 0.000 0.989 331 Q CA 1.850 57.542 55.803 -0.185 0.000 0.853 331 Q CB -1.047 27.617 28.738 -0.123 0.000 0.907 331 Q HN 0.674 nan 8.270 nan 0.000 0.418 332 G N 0.846 109.605 108.800 -0.068 0.000 2.422 332 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 332 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 332 G C 1.494 176.414 174.900 0.033 0.000 1.146 332 G CA 0.446 45.552 45.100 0.011 0.000 0.769 332 G HN 0.290 nan 8.290 nan 0.000 0.547 333 R N -0.087 120.394 120.500 -0.033 0.000 2.193 333 R HA 0.100 4.440 4.340 -0.000 0.000 0.229 333 R C 2.359 178.670 176.300 0.019 0.000 1.110 333 R CA 0.475 56.608 56.100 0.054 0.000 0.988 333 R CB -0.351 29.924 30.300 -0.041 0.000 0.871 333 R HN 0.357 nan 8.270 nan 0.000 0.458 334 L N -0.459 120.703 121.223 -0.103 0.000 2.275 334 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 334 L C 2.079 178.958 176.870 0.015 0.000 1.119 334 L CA 0.811 55.560 54.840 -0.152 0.000 0.790 334 L CB -0.330 41.521 42.059 -0.346 0.000 0.919 334 L HN 0.141 nan 8.230 nan 0.000 0.443 335 F N 0.863 120.778 119.950 -0.059 0.000 2.188 335 F HA 0.098 4.625 4.527 -0.000 0.000 0.289 335 F C 2.436 178.241 175.800 0.009 0.000 1.082 335 F CA 0.904 58.888 58.000 -0.026 0.000 1.282 335 F CB -0.297 38.682 39.000 -0.035 0.000 1.060 335 F HN -0.083 nan 8.300 nan 0.000 0.493 336 A N -0.646 122.032 122.820 -0.237 0.000 1.969 336 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 336 A C 1.948 179.303 177.584 -0.383 0.000 1.169 336 A CA 1.499 53.270 52.037 -0.443 0.000 0.635 336 A CB -1.366 17.489 19.000 -0.242 0.000 0.810 336 A HN 0.544 nan 8.150 nan 0.000 0.445 337 Y N -0.109 120.031 120.300 -0.267 0.000 2.184 337 Y HA 0.032 4.582 4.550 -0.000 0.000 0.290 337 Y C 2.813 178.603 175.900 -0.184 0.000 1.129 337 Y CA 0.862 58.850 58.100 -0.187 0.000 1.144 337 Y CB -1.047 37.340 38.460 -0.122 0.000 0.995 337 Y HN 0.298 nan 8.280 nan 0.000 0.513 338 G N -0.524 108.272 108.800 -0.008 0.000 2.442 338 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 338 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 338 G C 1.275 176.095 174.900 -0.133 0.000 1.141 338 G CA 1.438 46.514 45.100 -0.039 0.000 0.763 338 G HN 0.415 nan 8.290 nan 0.000 0.554 339 D N 0.675 120.886 120.400 -0.316 0.000 2.084 339 D HA 0.024 4.664 4.640 -0.000 0.000 0.194 339 D C 2.724 178.898 176.300 -0.210 0.000 0.990 339 D CA 1.573 55.354 54.000 -0.366 0.000 0.826 339 D CB -0.386 39.908 40.800 -0.843 0.000 0.971 339 D HN 0.222 nan 8.370 nan 0.000 0.453 340 A N -0.294 122.385 122.820 -0.235 0.000 1.972 340 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 340 A C 2.162 179.693 177.584 -0.090 0.000 1.169 340 A CA 1.570 53.527 52.037 -0.133 0.000 0.635 340 A CB -0.592 18.287 19.000 -0.202 0.000 0.810 340 A HN 0.350 nan 8.150 nan 0.000 0.446 341 Q N -0.836 118.859 119.800 -0.174 0.000 2.137 341 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 341 Q C 2.304 178.068 176.000 -0.392 0.000 0.960 341 Q CA 1.092 56.694 55.803 -0.335 0.000 0.847 341 Q CB -0.095 28.381 28.738 -0.437 0.000 0.915 341 Q HN 0.607 nan 8.270 nan 0.000 0.448 342 R N -0.458 119.944 120.500 -0.162 0.000 2.105 342 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 342 R C 2.089 178.386 176.300 -0.005 0.000 1.135 342 R CA 1.560 57.650 56.100 -0.017 0.000 0.967 342 R CB -0.362 29.962 30.300 0.039 0.000 0.861 342 R HN 0.301 nan 8.270 nan 0.000 0.442 343 Y N 1.471 121.708 120.300 -0.104 0.000 2.114 343 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 343 Y C 2.523 178.372 175.900 -0.085 0.000 1.143 343 Y CA 1.628 59.680 58.100 -0.079 0.000 1.135 343 Y CB -0.236 38.179 38.460 -0.075 0.000 0.980 343 Y HN -0.153 nan 8.280 nan 0.000 0.499 344 R N -0.196 120.178 120.500 -0.210 0.000 2.096 344 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 344 R C 1.365 177.501 176.300 -0.273 0.000 1.127 344 R CA 2.120 58.048 56.100 -0.287 0.000 0.968 344 R CB -0.194 30.024 30.300 -0.136 0.000 0.861 344 R HN 0.522 nan 8.270 nan 0.000 0.440 345 L N -1.405 119.671 121.223 -0.246 0.000 2.878 345 L HA 0.406 4.746 4.340 -0.000 0.000 0.253 345 L C 0.315 177.139 176.870 -0.077 0.000 1.135 345 L CA 0.044 54.775 54.840 -0.182 0.000 0.943 345 L CB 1.476 43.386 42.059 -0.249 0.000 1.307 345 L HN 0.396 nan 8.230 nan 0.000 0.545 346 G N -0.044 108.718 108.800 -0.063 0.000 2.617 346 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 346 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 346 G C 0.033 174.992 174.900 0.099 0.000 1.214 346 G CA -0.348 44.754 45.100 0.004 0.000 0.796 346 G HN -0.273 nan 8.290 nan 0.000 0.654 347 V N 0.600 120.546 119.914 0.053 0.000 2.594 347 V HA -0.060 4.060 4.120 -0.000 0.000 0.253 347 V C 1.767 177.829 176.094 -0.054 0.000 1.069 347 V CA 2.367 64.689 62.300 0.037 0.000 1.082 347 V CB -0.288 31.530 31.823 -0.008 0.000 0.680 347 V HN 0.651 nan 8.190 nan 0.000 0.469 348 N N -0.011 118.644 118.700 -0.075 0.000 2.295 348 N HA 0.045 4.785 4.740 -0.000 0.000 0.221 348 N C 1.191 176.531 175.510 -0.284 0.000 1.129 348 N CA 0.665 53.575 53.050 -0.234 0.000 0.836 348 N CB -0.160 38.293 38.487 -0.056 0.000 1.040 348 N HN 0.894 nan 8.380 nan 0.000 0.494 349 H N -0.723 118.248 119.070 -0.165 0.000 2.518 349 H HA -0.004 4.552 4.556 -0.000 0.000 0.289 349 H C 1.280 176.510 175.328 -0.165 0.000 1.051 349 H CA 1.082 57.044 56.048 -0.144 0.000 1.280 349 H CB -0.056 29.624 29.762 -0.137 0.000 1.380 349 H HN 0.168 nan 8.280 nan 0.000 0.566 350 Q N -0.031 119.378 119.800 -0.650 0.000 2.482 350 Q HA -0.040 4.300 4.340 -0.000 0.000 0.209 350 Q C 0.825 176.696 176.000 -0.215 0.000 0.961 350 Q CA 0.229 55.788 55.803 -0.407 0.000 0.945 350 Q CB 0.212 28.701 28.738 -0.415 0.000 1.012 350 Q HN 0.736 nan 8.270 nan 0.000 0.515 351 H N -0.540 118.458 119.070 -0.120 0.000 2.548 351 H HA 0.132 4.688 4.556 -0.000 0.000 0.265 351 H C 0.304 175.587 175.328 -0.074 0.000 0.969 351 H CA 0.118 56.115 56.048 -0.086 0.000 1.155 351 H CB 0.102 29.816 29.762 -0.080 0.000 1.394 351 H HN 0.180 nan 8.280 nan 0.000 0.570 352 I N 2.652 123.231 120.570 0.014 0.000 2.533 352 I HA -0.009 4.161 4.170 -0.000 0.000 0.284 352 I C -1.094 174.988 176.117 -0.059 0.000 1.109 352 I CA -1.513 59.770 61.300 -0.028 0.000 1.412 352 I CB 1.217 39.179 38.000 -0.063 0.000 1.396 352 I HN -0.089 nan 8.210 nan 0.000 0.543 353 P HA -0.228 nan 4.420 nan 0.000 0.216 353 P C 1.732 178.967 177.300 -0.109 0.000 1.157 353 P CA 1.046 64.095 63.100 -0.085 0.000 0.880 353 P CB 0.190 31.837 31.700 -0.087 0.000 0.791 354 V N -0.304 119.520 119.914 -0.152 0.000 2.594 354 V HA -0.191 3.929 4.120 -0.000 0.000 0.253 354 V C 1.459 177.468 176.094 -0.142 0.000 1.069 354 V CA 2.022 64.197 62.300 -0.208 0.000 1.082 354 V CB -0.960 30.547 31.823 -0.528 0.000 0.680 354 V HN 0.121 nan 8.190 nan 0.000 0.469 355 N N 0.360 118.975 118.700 -0.141 0.000 2.325 355 N HA 0.217 4.957 4.740 -0.000 0.000 0.182 355 N C 0.617 176.118 175.510 -0.014 0.000 1.088 355 N CA 0.743 53.724 53.050 -0.115 0.000 0.879 355 N CB 0.090 38.501 38.487 -0.127 0.000 0.983 355 N HN 0.523 nan 8.380 nan 0.000 0.471 356 A N 2.439 125.266 122.820 0.012 0.000 2.407 356 A HA 0.390 4.710 4.320 -0.000 0.000 0.248 356 A C -2.136 175.505 177.584 0.095 0.000 1.082 356 A CA -0.854 51.202 52.037 0.032 0.000 0.785 356 A CB -0.069 18.932 19.000 0.002 0.000 1.020 356 A HN -0.032 nan 8.150 nan 0.000 0.489 357 P HA 0.261 nan 4.420 nan 0.000 0.272 357 P C -0.249 177.093 177.300 0.069 0.000 1.230 357 P CA -0.147 63.029 63.100 0.127 0.000 0.788 357 P CB 0.471 32.226 31.700 0.092 0.000 0.949 358 R N 0.000 120.551 120.500 0.084 0.000 2.633 358 R HA 0.284 4.624 4.340 -0.000 0.000 0.348 358 R C -0.111 176.207 176.300 0.029 0.000 1.100 358 R CA -0.139 55.959 56.100 -0.003 0.000 1.068 358 R CB -0.356 29.900 30.300 -0.073 0.000 1.351 358 R HN 0.612 nan 8.270 nan 0.000 0.575 359 C N -2.142 117.185 119.300 0.045 0.000 3.213 359 C HA 0.710 5.169 4.460 -0.000 0.000 0.319 359 C C -2.716 172.296 174.990 0.037 0.000 1.386 359 C CA -2.597 56.444 59.018 0.038 0.000 1.494 359 C CB 1.349 29.115 27.740 0.045 0.000 1.905 359 C HN 0.052 nan 8.230 nan 0.000 0.456 360 P HA 0.412 nan 4.420 nan 0.000 0.271 360 P C -0.766 176.575 177.300 0.068 0.000 1.216 360 P CA 0.075 63.198 63.100 0.038 0.000 0.776 360 P CB 0.676 32.387 31.700 0.018 0.000 0.881 361 V N 3.429 123.411 119.914 0.113 0.000 2.789 361 V HA 0.441 4.561 4.120 -0.000 0.000 0.311 361 V C -1.318 174.966 176.094 0.317 0.000 1.073 361 V CA -0.390 62.013 62.300 0.171 0.000 0.921 361 V CB 1.870 33.783 31.823 0.151 0.000 1.009 361 V HN 0.701 nan 8.190 nan 0.000 0.426 362 H N 4.421 123.609 119.070 0.196 0.000 2.734 362 H HA 0.248 4.804 4.556 -0.000 0.000 0.247 362 H C 0.202 175.686 175.328 0.259 0.000 1.415 362 H CA 0.527 56.746 56.048 0.285 0.000 1.514 362 H CB 1.254 31.116 29.762 0.167 0.000 1.841 362 H HN 0.773 nan 8.280 nan 0.000 0.609 363 S N 2.054 117.866 115.700 0.185 0.000 2.540 363 S HA -0.035 4.434 4.470 -0.000 0.000 0.218 363 S C 1.005 175.298 174.600 -0.511 0.000 0.977 363 S CA 0.323 58.471 58.200 -0.087 0.000 0.918 363 S CB -0.136 63.073 63.200 0.015 0.000 0.806 363 S HN 0.771 nan 8.310 nan 0.000 0.496 364 Y N 1.840 121.538 120.300 -1.004 0.000 2.865 364 Y HA -0.357 4.193 4.550 -0.000 0.000 0.480 364 Y C 0.134 175.537 175.900 -0.828 0.000 1.252 364 Y CA 1.771 58.875 58.100 -1.660 0.000 2.596 364 Y CB -1.992 35.673 38.460 -1.325 0.000 0.917 364 Y HN 0.576 nan 8.280 nan 0.000 0.522 365 H N 3.937 122.919 119.070 -0.146 0.000 3.001 365 H HA 0.359 4.915 4.556 -0.000 0.000 0.334 365 H C 0.325 175.611 175.328 -0.069 0.000 1.034 365 H CA 0.849 56.833 56.048 -0.107 0.000 1.420 365 H CB 0.267 30.039 29.762 0.017 0.000 1.405 365 H HN 0.233 nan 8.280 nan 0.000 0.593 366 R N 2.297 122.778 120.500 -0.032 0.000 2.732 366 R HA 0.209 4.549 4.340 -0.000 0.000 0.278 366 R C 0.412 176.729 176.300 0.027 0.000 0.976 366 R CA -0.737 55.365 56.100 0.002 0.000 0.963 366 R CB 0.969 31.225 30.300 -0.073 0.000 1.150 366 R HN 0.704 nan 8.270 nan 0.000 0.478 367 D N -0.078 120.340 120.400 0.031 0.000 3.396 367 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 367 D C 0.414 176.730 176.300 0.026 0.000 1.347 367 D CA 1.993 56.007 54.000 0.023 0.000 1.106 367 D CB -1.112 39.697 40.800 0.016 0.000 0.619 367 D HN 0.871 nan 8.370 nan 0.000 0.728 368 G N -0.892 107.919 108.800 0.018 0.000 2.758 368 G HA2 0.381 4.341 3.960 -0.000 0.000 0.686 368 G HA3 0.381 4.341 3.960 -0.000 0.000 0.686 368 G C 0.096 175.005 174.900 0.016 0.000 1.389 368 G CA 0.509 45.618 45.100 0.015 0.000 0.845 368 G HN 1.524 nan 8.290 nan 0.000 0.572 369 A N 1.812 124.639 122.820 0.011 0.000 2.531 369 A HA 0.568 4.888 4.320 -0.000 0.000 0.236 369 A C 1.507 179.101 177.584 0.017 0.000 1.062 369 A CA 1.395 53.438 52.037 0.009 0.000 0.760 369 A CB -0.045 18.956 19.000 0.002 0.000 0.995 369 A HN 2.179 nan 8.150 nan 0.000 0.501 370 M N 0.346 119.954 119.600 0.014 0.000 2.253 370 M HA -0.138 4.342 4.480 -0.000 0.000 0.195 370 M C 0.166 176.487 176.300 0.034 0.000 0.512 370 M CA 0.647 55.959 55.300 0.020 0.000 0.442 370 M CB -1.543 31.070 32.600 0.023 0.000 1.189 370 M HN 0.848 nan 8.290 nan 0.000 0.923 371 R N 1.132 121.645 120.500 0.021 0.000 2.248 371 R HA 0.385 4.725 4.340 -0.000 0.000 0.337 371 R C 0.991 177.271 176.300 -0.033 0.000 1.085 371 R CA 0.256 56.364 56.100 0.013 0.000 0.934 371 R CB 0.308 30.609 30.300 0.002 0.000 1.034 371 R HN 0.362 nan 8.270 nan 0.000 0.465 372 V N 0.149 120.023 119.914 -0.066 0.000 3.477 372 V HA 0.222 4.342 4.120 -0.000 0.000 0.297 372 V C 0.609 176.595 176.094 -0.179 0.000 1.433 372 V CA 0.526 62.768 62.300 -0.097 0.000 1.052 372 V CB 0.574 32.362 31.823 -0.060 0.000 0.895 372 V HN 0.671 nan 8.190 nan 0.000 0.438 373 D N 0.633 120.850 120.400 -0.303 0.000 2.340 373 D HA 0.278 4.918 4.640 -0.000 0.000 0.217 373 D C 1.622 177.747 176.300 -0.291 0.000 1.081 373 D CA 0.775 54.545 54.000 -0.383 0.000 0.842 373 D CB 0.558 40.929 40.800 -0.714 0.000 0.934 373 D HN 0.830 nan 8.370 nan 0.000 0.511 374 G N 1.467 110.142 108.800 -0.209 0.000 2.234 374 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.235 374 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.235 374 G C 0.673 175.481 174.900 -0.154 0.000 0.997 374 G CA 0.170 45.180 45.100 -0.150 0.000 0.623 374 G HN 0.488 nan 8.290 nan 0.000 0.514 375 N N -1.080 117.459 118.700 -0.269 0.000 2.725 375 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 375 N C 0.772 176.240 175.510 -0.070 0.000 1.103 375 N CA 1.847 54.768 53.050 -0.215 0.000 0.707 375 N CB -1.779 36.676 38.487 -0.052 0.000 1.043 375 N HN 1.492 nan 8.380 nan 0.000 0.553 376 F N -3.648 116.335 119.950 0.055 0.000 3.006 376 F HA -0.243 4.284 4.527 -0.000 0.000 0.289 376 F C 1.766 177.605 175.800 0.064 0.000 0.772 376 F CA 1.635 59.695 58.000 0.099 0.000 1.162 376 F CB -1.681 37.447 39.000 0.213 0.000 1.382 376 F HN 0.553 nan 8.300 nan 0.000 0.406 377 G N 0.182 109.059 108.800 0.128 0.000 2.634 377 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.309 377 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.309 377 G C 0.863 175.829 174.900 0.109 0.000 1.265 377 G CA 0.661 45.814 45.100 0.088 0.000 0.998 377 G HN 0.661 nan 8.290 nan 0.000 0.551 378 S N 1.149 116.900 115.700 0.086 0.000 2.603 378 S HA 0.232 4.702 4.470 -0.000 0.000 0.220 378 S C 1.104 175.757 174.600 0.088 0.000 0.967 378 S CA 1.087 59.334 58.200 0.077 0.000 0.920 378 S CB -0.079 63.151 63.200 0.051 0.000 0.773 378 S HN 0.877 nan 8.310 nan 0.000 0.529 379 T N 4.873 119.495 114.554 0.113 0.000 2.905 379 T HA 0.119 4.469 4.350 -0.000 0.000 0.299 379 T C 0.391 175.166 174.700 0.124 0.000 1.024 379 T CA -0.292 61.856 62.100 0.081 0.000 1.151 379 T CB -0.227 68.692 68.868 0.085 0.000 0.987 379 T HN 0.243 nan 8.240 nan 0.000 0.535 380 L N 1.682 122.945 121.223 0.067 0.000 2.499 380 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 380 L C 1.252 178.259 176.870 0.227 0.000 1.234 380 L CA 0.057 54.963 54.840 0.109 0.000 0.839 380 L CB -0.155 41.885 42.059 -0.032 0.000 1.104 380 L HN 0.592 nan 8.230 nan 0.000 0.500 381 G N 0.396 109.334 108.800 0.229 0.000 3.159 381 G HA2 0.191 4.151 3.960 -0.000 0.000 0.232 381 G HA3 0.191 4.151 3.960 -0.000 0.000 0.232 381 G C -0.151 174.858 174.900 0.181 0.000 1.116 381 G CA 0.221 45.394 45.100 0.122 0.000 0.767 381 G HN 0.800 nan 8.290 nan 0.000 0.547 382 Y N -1.117 119.321 120.300 0.231 0.000 2.468 382 Y HA 0.835 5.385 4.550 -0.000 0.000 0.342 382 Y C -0.643 175.428 175.900 0.285 0.000 1.021 382 Y CA -2.182 56.052 58.100 0.222 0.000 1.079 382 Y CB 1.776 40.317 38.460 0.135 0.000 1.226 382 Y HN -0.132 nan 8.280 nan 0.000 0.460 383 E N 3.723 124.095 120.200 0.288 0.000 2.290 383 E HA 0.362 4.712 4.350 -0.000 0.000 0.274 383 E C -2.775 173.924 176.600 0.165 0.000 0.889 383 E CA -1.940 54.571 56.400 0.185 0.000 0.760 383 E CB 2.147 31.949 29.700 0.170 0.000 1.206 383 E HN 0.831 nan 8.360 nan 0.000 0.419 384 P HA 0.234 nan 4.420 nan 0.000 0.269 384 P C -0.903 176.508 177.300 0.185 0.000 1.209 384 P CA -0.113 63.067 63.100 0.132 0.000 0.776 384 P CB 0.604 32.367 31.700 0.105 0.000 0.876 385 N N -0.852 117.893 118.700 0.075 0.000 2.732 385 N HA 0.229 4.969 4.740 -0.000 0.000 0.259 385 N C -0.243 175.284 175.510 0.028 0.000 1.402 385 N CA -0.807 52.264 53.050 0.034 0.000 0.829 385 N CB 0.488 38.737 38.487 -0.395 0.000 1.495 385 N HN 0.260 nan 8.380 nan 0.000 0.511 386 D N -1.215 119.216 120.400 0.051 0.000 2.328 386 D HA -0.030 4.610 4.640 -0.000 0.000 0.226 386 D C 0.324 176.618 176.300 -0.010 0.000 1.066 386 D CA 0.619 54.640 54.000 0.034 0.000 0.861 386 D CB -0.046 40.790 40.800 0.059 0.000 0.912 386 D HN 0.679 nan 8.370 nan 0.000 0.521 387 Q N -0.523 119.244 119.800 -0.055 0.000 2.247 387 Q HA 0.258 4.598 4.340 -0.000 0.000 0.211 387 Q C 1.051 176.997 176.000 -0.091 0.000 0.861 387 Q CA 0.240 55.995 55.803 -0.080 0.000 0.949 387 Q CB 0.730 29.397 28.738 -0.119 0.000 1.115 387 Q HN 0.380 nan 8.270 nan 0.000 0.507 388 G N 1.975 110.731 108.800 -0.073 0.000 2.203 388 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 388 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 388 G C 0.073 174.910 174.900 -0.105 0.000 1.012 388 G CA 0.501 45.563 45.100 -0.063 0.000 0.749 388 G HN 0.282 nan 8.290 nan 0.000 0.512 389 Q N -1.062 118.628 119.800 -0.183 0.000 2.354 389 Q HA 0.410 4.750 4.340 -0.000 0.000 0.244 389 Q C 0.843 176.714 176.000 -0.214 0.000 0.969 389 Q CA 0.109 55.692 55.803 -0.367 0.000 0.885 389 Q CB 0.015 28.392 28.738 -0.602 0.000 1.241 389 Q HN 0.740 nan 8.270 nan 0.000 0.461 390 W N 0.538 121.822 121.300 -0.025 0.000 5.361 390 W HA -0.228 4.432 4.660 -0.000 0.000 0.385 390 W C -0.109 176.384 176.519 -0.042 0.000 1.458 390 W CA -0.080 57.231 57.345 -0.056 0.000 0.922 390 W CB -2.010 27.420 29.460 -0.050 0.000 2.606 390 W HN 0.674 nan 8.180 nan 0.000 1.450 391 A N 1.389 124.283 122.820 0.123 0.000 2.450 391 A HA 0.392 4.712 4.320 -0.000 0.000 0.255 391 A C 0.919 178.553 177.584 0.084 0.000 1.096 391 A CA 0.046 52.129 52.037 0.076 0.000 0.778 391 A CB 0.258 19.279 19.000 0.036 0.000 1.031 391 A HN 0.436 nan 8.150 nan 0.000 0.494 392 E N 2.436 122.674 120.200 0.064 0.000 2.392 392 E HA 0.172 4.522 4.350 -0.000 0.000 0.256 392 E C -0.815 175.833 176.600 0.081 0.000 1.145 392 E CA -0.275 56.160 56.400 0.059 0.000 0.929 392 E CB 0.437 30.162 29.700 0.040 0.000 0.998 392 E HN 0.646 nan 8.360 nan 0.000 0.442 393 Q N 1.122 120.987 119.800 0.110 0.000 2.700 393 Q HA 0.181 4.521 4.340 -0.000 0.000 0.249 393 Q C -1.893 174.229 176.000 0.204 0.000 1.033 393 Q CA -1.773 54.142 55.803 0.186 0.000 0.804 393 Q CB 1.441 30.347 28.738 0.280 0.000 1.164 393 Q HN 0.515 nan 8.270 nan 0.000 0.500 394 P HA -0.127 nan 4.420 nan 0.000 0.226 394 P C 0.126 177.447 177.300 0.036 0.000 1.153 394 P CA 0.804 63.947 63.100 0.071 0.000 0.777 394 P CB 0.492 32.214 31.700 0.037 0.000 0.794 395 D N -0.579 119.816 120.400 -0.009 0.000 2.309 395 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 395 D C 1.040 177.163 176.300 -0.294 0.000 0.968 395 D CA 0.897 54.787 54.000 -0.183 0.000 0.882 395 D CB -0.603 40.009 40.800 -0.313 0.000 0.918 395 D HN 0.282 nan 8.370 nan 0.000 0.503 396 F N 0.173 120.118 119.950 -0.009 0.000 2.693 396 F HA 0.160 4.687 4.527 -0.000 0.000 0.303 396 F C 1.221 177.013 175.800 -0.013 0.000 1.097 396 F CA -0.269 57.723 58.000 -0.013 0.000 1.330 396 F CB 0.128 39.122 39.000 -0.010 0.000 1.067 396 F HN -0.330 nan 8.300 nan 0.000 0.565 397 S N 1.189 116.954 115.700 0.108 0.000 2.537 397 S HA 0.025 4.495 4.470 -0.000 0.000 0.286 397 S C 0.359 174.984 174.600 0.043 0.000 1.299 397 S CA -0.290 57.951 58.200 0.069 0.000 1.067 397 S CB 0.211 63.434 63.200 0.039 0.000 0.864 397 S HN 0.311 nan 8.310 nan 0.000 0.494 398 E N 4.090 124.314 120.200 0.040 0.000 2.349 398 E HA 0.329 4.678 4.350 -0.000 0.000 0.265 398 E C -2.002 174.604 176.600 0.010 0.000 1.064 398 E CA -1.773 54.639 56.400 0.020 0.000 0.886 398 E CB 0.347 30.058 29.700 0.018 0.000 1.036 398 E HN 0.518 nan 8.360 nan 0.000 0.413 399 P HA 0.199 nan 4.420 nan 0.000 0.274 399 P C -2.541 174.759 177.300 -0.000 0.000 1.231 399 P CA -1.234 61.859 63.100 -0.012 0.000 0.790 399 P CB -0.249 31.430 31.700 -0.035 0.000 0.951 400 P HA 0.204 nan 4.420 nan 0.000 0.270 400 P C -0.775 176.537 177.300 0.021 0.000 1.223 400 P CA -0.220 62.890 63.100 0.017 0.000 0.785 400 P CB 0.255 31.963 31.700 0.013 0.000 0.923 401 L N 2.004 123.252 121.223 0.042 0.000 2.305 401 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 401 L C -0.282 176.619 176.870 0.052 0.000 1.013 401 L CA -0.340 54.538 54.840 0.063 0.000 0.819 401 L CB 0.310 42.432 42.059 0.104 0.000 1.227 401 L HN 0.269 nan 8.230 nan 0.000 0.417 402 N N 4.025 122.755 118.700 0.051 0.000 2.454 402 N HA 0.339 5.079 4.740 -0.000 0.000 0.254 402 N C -1.116 174.416 175.510 0.036 0.000 1.228 402 N CA -0.124 52.949 53.050 0.038 0.000 0.900 402 N CB 0.493 39.001 38.487 0.035 0.000 1.089 402 N HN 0.329 nan 8.380 nan 0.000 0.449 403 L N 1.375 122.609 121.223 0.019 0.000 2.354 403 L HA 0.472 4.812 4.340 -0.000 0.000 0.264 403 L C -0.748 176.119 176.870 -0.005 0.000 1.008 403 L CA -0.470 54.373 54.840 0.005 0.000 0.819 403 L CB 1.931 43.995 42.059 0.009 0.000 1.339 403 L HN 0.567 nan 8.230 nan 0.000 0.420 404 D N 0.830 121.213 120.400 -0.029 0.000 2.936 404 D HA 0.663 5.303 4.640 -0.000 0.000 0.238 404 D C -0.405 175.854 176.300 -0.070 0.000 1.248 404 D CA 0.516 54.493 54.000 -0.039 0.000 0.903 404 D CB 1.672 42.441 40.800 -0.050 0.000 1.544 404 D HN 0.868 nan 8.370 nan 0.000 0.543 405 G N 1.315 110.107 108.800 -0.014 0.000 2.497 405 G HA2 0.508 4.468 3.960 -0.000 0.000 0.686 405 G HA3 0.508 4.468 3.960 -0.000 0.000 0.686 405 G C -0.524 174.478 174.900 0.170 0.000 1.288 405 G CA -0.406 44.714 45.100 0.033 0.000 0.899 405 G HN 0.819 nan 8.290 nan 0.000 0.608 406 A N -0.075 122.962 122.820 0.361 0.000 2.313 406 A HA 0.930 5.250 4.320 -0.000 0.000 0.261 406 A C 1.104 178.901 177.584 0.355 0.000 1.090 406 A CA 0.920 53.139 52.037 0.303 0.000 0.807 406 A CB 0.534 19.677 19.000 0.238 0.000 1.055 406 A HN 2.584 nan 8.150 nan 0.000 0.492 407 A N 0.232 123.153 122.820 0.168 0.000 2.444 407 A HA 0.570 4.890 4.320 -0.000 0.000 0.273 407 A C 0.437 178.008 177.584 -0.021 0.000 1.136 407 A CA 0.642 52.738 52.037 0.098 0.000 0.799 407 A CB -0.814 18.205 19.000 0.031 0.000 1.081 407 A HN 2.411 nan 8.150 nan 0.000 0.509 408 A N 2.728 125.475 122.820 -0.122 0.000 2.586 408 A HA 0.624 4.944 4.320 -0.000 0.000 0.290 408 A C -0.781 176.554 177.584 -0.414 0.000 1.086 408 A CA -0.772 51.015 52.037 -0.417 0.000 0.665 408 A CB 0.549 18.943 19.000 -1.010 0.000 1.279 408 A HN 0.833 nan 8.150 nan 0.000 0.423 409 H N 0.527 119.423 119.070 -0.288 0.000 3.014 409 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 409 H C -1.129 174.116 175.328 -0.138 0.000 1.455 409 H CA 0.152 56.129 56.048 -0.119 0.000 1.402 409 H CB 0.053 29.777 29.762 -0.063 0.000 1.626 409 H HN 0.544 nan 8.280 nan 0.000 0.520 410 W N 2.190 123.546 121.300 0.093 0.000 2.253 410 W HA -0.003 4.657 4.660 -0.000 0.000 0.322 410 W C 0.812 177.387 176.519 0.094 0.000 1.342 410 W CA -0.355 57.036 57.345 0.077 0.000 1.218 410 W CB 0.357 29.848 29.460 0.051 0.000 1.205 410 W HN 0.455 nan 8.180 nan 0.000 0.551 411 D N 2.639 123.207 120.400 0.280 0.000 2.339 411 D HA -0.055 4.585 4.640 -0.000 0.000 0.256 411 D C 1.287 177.677 176.300 0.149 0.000 1.214 411 D CA 0.049 54.136 54.000 0.145 0.000 0.877 411 D CB 0.486 41.327 40.800 0.069 0.000 1.111 411 D HN 0.554 nan 8.370 nan 0.000 0.478 412 H N 3.108 122.279 119.070 0.168 0.000 2.521 412 H HA 0.055 4.611 4.556 -0.000 0.000 0.286 412 H C 1.160 176.566 175.328 0.131 0.000 1.034 412 H CA 0.986 57.121 56.048 0.145 0.000 1.278 412 H CB 0.036 29.885 29.762 0.145 0.000 1.386 412 H HN 0.290 nan 8.280 nan 0.000 0.567 413 R N 0.648 121.010 120.500 -0.229 0.000 2.339 413 R HA -0.069 4.271 4.340 -0.000 0.000 0.199 413 R C 1.732 178.039 176.300 0.013 0.000 1.018 413 R CA 0.791 56.859 56.100 -0.054 0.000 1.036 413 R CB -0.112 30.138 30.300 -0.082 0.000 0.899 413 R HN 0.612 nan 8.270 nan 0.000 0.473 414 E N 1.516 121.734 120.200 0.031 0.000 2.160 414 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 414 E C 0.104 176.699 176.600 -0.009 0.000 0.991 414 E CA 0.926 57.345 56.400 0.033 0.000 0.810 414 E CB 0.090 29.832 29.700 0.069 0.000 0.742 414 E HN 0.059 nan 8.360 nan 0.000 0.466 415 D N 0.718 121.111 120.400 -0.013 0.000 2.411 415 D HA 0.023 4.663 4.640 -0.000 0.000 0.225 415 D C -0.382 175.727 176.300 -0.317 0.000 1.156 415 D CA 0.079 54.024 54.000 -0.092 0.000 0.874 415 D CB 0.782 41.570 40.800 -0.020 0.000 1.034 415 D HN 0.118 nan 8.370 nan 0.000 0.502 416 E N 1.927 121.889 120.200 -0.398 0.000 2.437 416 E HA -0.029 4.321 4.350 -0.000 0.000 0.189 416 E C -0.208 175.896 176.600 -0.826 0.000 1.054 416 E CA -0.145 55.786 56.400 -0.781 0.000 0.874 416 E CB 0.422 29.953 29.700 -0.282 0.000 1.011 416 E HN 0.308 nan 8.360 nan 0.000 0.474 417 D N 0.143 120.219 120.400 -0.540 0.000 2.545 417 D HA -0.044 4.596 4.640 -0.000 0.000 0.227 417 D C -0.011 176.068 176.300 -0.368 0.000 1.150 417 D CA 0.026 53.835 54.000 -0.318 0.000 1.046 417 D CB -0.152 40.570 40.800 -0.130 0.000 1.098 417 D HN 0.116 nan 8.370 nan 0.000 0.502 418 Y N 0.650 120.715 120.300 -0.392 0.000 2.503 418 Y HA 0.125 4.674 4.550 -0.000 0.000 0.278 418 Y C 1.245 176.754 175.900 -0.651 0.000 1.111 418 Y CA 0.183 57.865 58.100 -0.696 0.000 1.270 418 Y CB -0.065 37.614 38.460 -1.301 0.000 1.063 418 Y HN 0.243 nan 8.280 nan 0.000 0.548 419 F N -1.800 118.218 119.950 0.115 0.000 2.724 419 F HA 0.124 4.651 4.527 -0.000 0.000 0.306 419 F C 2.286 178.098 175.800 0.021 0.000 1.100 419 F CA 0.280 58.321 58.000 0.068 0.000 1.255 419 F CB -0.564 38.483 39.000 0.078 0.000 1.072 419 F HN -0.064 nan 8.300 nan 0.000 0.589 420 S N 0.198 115.974 115.700 0.127 0.000 2.355 420 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 420 S C 1.786 176.386 174.600 -0.001 0.000 1.031 420 S CA 1.060 59.303 58.200 0.072 0.000 0.993 420 S CB -0.623 62.609 63.200 0.054 0.000 0.859 420 S HN 0.461 nan 8.310 nan 0.000 0.453 421 Q N 1.502 121.244 119.800 -0.096 0.000 2.079 421 Q HA 0.026 4.366 4.340 -0.000 0.000 0.200 421 Q C -0.416 175.355 176.000 -0.383 0.000 0.974 421 Q CA 1.356 57.003 55.803 -0.260 0.000 0.840 421 Q CB -1.383 27.132 28.738 -0.372 0.000 0.898 421 Q HN 0.501 nan 8.270 nan 0.000 0.430 422 P HA -0.166 nan 4.420 nan 0.000 0.216 422 P C 1.337 178.690 177.300 0.090 0.000 1.153 422 P CA 1.938 64.991 63.100 -0.079 0.000 0.858 422 P CB -0.392 31.383 31.700 0.125 0.000 0.789 423 G N -0.255 108.618 108.800 0.121 0.000 2.418 423 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 423 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 423 G C 1.254 176.242 174.900 0.147 0.000 1.158 423 G CA 0.908 46.110 45.100 0.170 0.000 0.771 423 G HN 0.172 nan 8.290 nan 0.000 0.545 424 D N 0.134 120.568 120.400 0.057 0.000 2.104 424 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 424 D C 2.398 178.709 176.300 0.019 0.000 0.994 424 D CA 0.673 54.689 54.000 0.027 0.000 0.830 424 D CB -0.391 40.403 40.800 -0.011 0.000 0.959 424 D HN 0.245 nan 8.370 nan 0.000 0.452 425 L N 0.055 121.284 121.223 0.010 0.000 2.017 425 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 425 L C 2.159 179.034 176.870 0.008 0.000 1.073 425 L CA 1.445 56.295 54.840 0.017 0.000 0.745 425 L CB -0.776 41.313 42.059 0.050 0.000 0.894 425 L HN -0.014 nan 8.230 nan 0.000 0.432 426 F N 0.342 120.222 119.950 -0.116 0.000 2.134 426 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 426 F C 2.165 177.904 175.800 -0.102 0.000 1.097 426 F CA 1.687 59.577 58.000 -0.183 0.000 1.264 426 F CB -0.952 37.889 39.000 -0.265 0.000 1.001 426 F HN 0.125 nan 8.300 nan 0.000 0.479 427 G N 0.966 109.742 108.800 -0.040 0.000 2.442 427 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 427 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 427 G C 1.589 176.387 174.900 -0.169 0.000 1.141 427 G CA 0.868 45.904 45.100 -0.108 0.000 0.763 427 G HN 0.364 nan 8.290 nan 0.000 0.554 428 L N 0.077 121.220 121.223 -0.133 0.000 2.291 428 L HA 0.265 4.605 4.340 -0.000 0.000 0.214 428 L C 1.740 178.516 176.870 -0.157 0.000 1.120 428 L CA 0.551 55.321 54.840 -0.116 0.000 0.799 428 L CB -0.779 41.235 42.059 -0.075 0.000 0.925 428 L HN 0.302 nan 8.230 nan 0.000 0.446 429 M N 0.292 119.749 119.600 -0.239 0.000 2.245 429 M HA 0.030 4.510 4.480 -0.000 0.000 0.344 429 M C 0.988 177.132 176.300 -0.260 0.000 1.170 429 M CA 0.073 55.219 55.300 -0.256 0.000 1.135 429 M CB 0.686 33.077 32.600 -0.349 0.000 1.574 429 M HN 0.167 nan 8.290 nan 0.000 0.452 430 T N -0.016 114.427 114.554 -0.185 0.000 2.802 430 T HA 0.310 4.659 4.350 -0.000 0.000 0.305 430 T C 1.211 175.802 174.700 -0.182 0.000 1.053 430 T CA -0.337 61.671 62.100 -0.153 0.000 1.058 430 T CB 0.911 69.719 68.868 -0.101 0.000 0.988 430 T HN 0.716 nan 8.240 nan 0.000 0.539 431 A N 0.560 123.302 122.820 -0.129 0.000 1.948 431 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 431 A C 2.275 179.797 177.584 -0.105 0.000 1.177 431 A CA 2.158 54.134 52.037 -0.101 0.000 0.636 431 A CB -1.194 17.782 19.000 -0.039 0.000 0.815 431 A HN 1.039 nan 8.150 nan 0.000 0.449 432 E N 0.298 120.444 120.200 -0.090 0.000 2.051 432 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 432 E C 1.899 178.429 176.600 -0.116 0.000 0.991 432 E CA 1.970 58.324 56.400 -0.078 0.000 0.799 432 E CB -0.246 29.422 29.700 -0.055 0.000 0.748 432 E HN 0.618 nan 8.360 nan 0.000 0.449 433 K N -0.232 120.082 120.400 -0.144 0.000 2.155 433 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 433 K C 2.408 178.853 176.600 -0.259 0.000 1.052 433 K CA 1.196 57.386 56.287 -0.161 0.000 0.948 433 K CB -0.054 32.362 32.500 -0.139 0.000 0.728 433 K HN 0.249 nan 8.250 nan 0.000 0.448 434 Q N 0.399 119.976 119.800 -0.372 0.000 2.050 434 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 434 Q C 2.226 177.649 176.000 -0.961 0.000 0.980 434 Q CA 1.563 56.979 55.803 -0.645 0.000 0.840 434 Q CB -0.226 28.154 28.738 -0.596 0.000 0.898 434 Q HN 0.323 nan 8.270 nan 0.000 0.424 435 A N 0.908 123.435 122.820 -0.489 0.000 1.933 435 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 435 A C 2.048 179.554 177.584 -0.130 0.000 1.175 435 A CA 1.140 53.048 52.037 -0.215 0.000 0.628 435 A CB -0.631 18.358 19.000 -0.019 0.000 0.814 435 A HN 0.306 nan 8.150 nan 0.000 0.444 436 I N -0.569 119.920 120.570 -0.134 0.000 2.179 436 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 436 I C 2.513 178.616 176.117 -0.024 0.000 1.088 436 I CA 1.094 62.364 61.300 -0.051 0.000 1.357 436 I CB -0.262 37.711 38.000 -0.046 0.000 1.051 436 I HN 0.369 nan 8.210 nan 0.000 0.409 437 L N 0.428 121.586 121.223 -0.109 0.000 1.990 437 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 437 L C 2.658 179.636 176.870 0.179 0.000 1.072 437 L CA 2.090 56.925 54.840 -0.008 0.000 0.755 437 L CB -0.448 41.535 42.059 -0.126 0.000 0.889 437 L HN 0.181 nan 8.230 nan 0.000 0.432 438 F N 0.087 120.150 119.950 0.189 0.000 2.069 438 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 438 F C 2.462 178.330 175.800 0.114 0.000 1.113 438 F CA 1.057 59.159 58.000 0.171 0.000 1.214 438 F CB -0.551 38.535 39.000 0.143 0.000 0.978 438 F HN 0.258 nan 8.300 nan 0.000 0.474 439 D N 0.522 121.078 120.400 0.261 0.000 2.087 439 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 439 D C 1.620 178.000 176.300 0.134 0.000 0.993 439 D CA 2.125 56.219 54.000 0.157 0.000 0.828 439 D CB -0.546 40.319 40.800 0.109 0.000 0.968 439 D HN 0.245 nan 8.370 nan 0.000 0.448 440 N N -1.197 117.587 118.700 0.141 0.000 2.036 440 N HA -0.160 4.580 4.740 -0.000 0.000 0.195 440 N C 1.729 177.353 175.510 0.190 0.000 1.037 440 N CA 1.796 54.939 53.050 0.154 0.000 0.855 440 N CB -0.179 38.406 38.487 0.162 0.000 1.033 440 N HN 0.205 nan 8.380 nan 0.000 0.423 441 T N 0.841 115.537 114.554 0.237 0.000 2.674 441 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 441 T C 2.101 176.840 174.700 0.065 0.000 1.039 441 T CA 1.314 63.554 62.100 0.233 0.000 1.150 441 T CB -0.495 68.585 68.868 0.354 0.000 0.864 441 T HN 0.353 nan 8.240 nan 0.000 0.427 442 A N 1.895 124.758 122.820 0.071 0.000 1.892 442 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 442 A C 2.394 179.953 177.584 -0.042 0.000 1.188 442 A CA 1.742 53.768 52.037 -0.019 0.000 0.631 442 A CB -0.555 18.446 19.000 0.002 0.000 0.822 442 A HN 0.439 nan 8.150 nan 0.000 0.447 443 R N -0.861 119.648 120.500 0.015 0.000 2.115 443 R HA -0.044 4.296 4.340 -0.000 0.000 0.226 443 R C 2.052 178.367 176.300 0.025 0.000 1.100 443 R CA 1.002 57.112 56.100 0.017 0.000 0.980 443 R CB -0.388 29.938 30.300 0.044 0.000 0.875 443 R HN 0.594 nan 8.270 nan 0.000 0.445 444 N N 1.005 119.746 118.700 0.067 0.000 2.289 444 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 444 N C 1.317 176.816 175.510 -0.018 0.000 1.016 444 N CA 0.842 53.981 53.050 0.149 0.000 0.872 444 N CB 0.164 38.880 38.487 0.383 0.000 0.973 444 N HN 0.203 nan 8.380 nan 0.000 0.433 445 L N 0.559 121.623 121.223 -0.265 0.000 2.591 445 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 445 L C 0.737 177.485 176.870 -0.202 0.000 1.133 445 L CA -0.180 54.387 54.840 -0.455 0.000 0.880 445 L CB -0.291 41.436 42.059 -0.553 0.000 1.033 445 L HN 0.078 nan 8.230 nan 0.000 0.450 446 N N 0.646 119.285 118.700 -0.103 0.000 2.412 446 N HA -0.035 4.705 4.740 -0.000 0.000 0.258 446 N C 1.183 176.672 175.510 -0.035 0.000 1.236 446 N CA 1.263 54.279 53.050 -0.057 0.000 0.882 446 N CB 0.868 39.339 38.487 -0.027 0.000 1.066 446 N HN 0.344 nan 8.380 nan 0.000 0.465 447 G N 1.888 110.671 108.800 -0.029 0.000 2.304 447 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.252 447 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.252 447 G C 0.213 175.109 174.900 -0.007 0.000 1.014 447 G CA 0.270 45.363 45.100 -0.012 0.000 0.619 447 G HN 0.566 nan 8.290 nan 0.000 0.525 448 V N 3.444 123.346 119.914 -0.020 0.000 2.599 448 V HA 0.298 4.418 4.120 -0.000 0.000 0.300 448 V C -1.214 174.884 176.094 0.007 0.000 1.034 448 V CA -0.478 61.817 62.300 -0.008 0.000 1.115 448 V CB 0.758 32.545 31.823 -0.060 0.000 0.934 448 V HN 0.228 nan 8.190 nan 0.000 0.485 449 P HA -0.005 nan 4.420 nan 0.000 0.262 449 P C 0.836 178.155 177.300 0.032 0.000 1.182 449 P CA 0.111 63.226 63.100 0.025 0.000 0.761 449 P CB 0.433 32.147 31.700 0.022 0.000 0.795 450 K N 4.254 124.682 120.400 0.047 0.000 2.089 450 K HA -0.266 4.054 4.320 -0.000 0.000 0.210 450 K C 1.681 178.262 176.600 -0.032 0.000 1.048 450 K CA 1.818 58.145 56.287 0.066 0.000 0.926 450 K CB -0.054 32.488 32.500 0.071 0.000 0.714 450 K HN 0.542 nan 8.250 nan 0.000 0.448 451 E N 0.932 121.108 120.200 -0.040 0.000 2.153 451 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 451 E C 1.971 178.544 176.600 -0.044 0.000 0.988 451 E CA 1.340 57.700 56.400 -0.066 0.000 0.811 451 E CB -0.437 29.237 29.700 -0.043 0.000 0.746 451 E HN 0.509 nan 8.360 nan 0.000 0.466 452 I N 1.106 121.677 120.570 0.002 0.000 2.277 452 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 452 I C 2.869 179.011 176.117 0.042 0.000 1.094 452 I CA 1.050 62.378 61.300 0.045 0.000 1.393 452 I CB -0.334 37.719 38.000 0.089 0.000 1.078 452 I HN 0.027 nan 8.210 nan 0.000 0.417 453 Q N 0.253 120.066 119.800 0.021 0.000 2.096 453 Q HA -0.263 4.077 4.340 -0.000 0.000 0.208 453 Q C 2.279 178.292 176.000 0.020 0.000 0.993 453 Q CA 1.555 57.383 55.803 0.041 0.000 0.862 453 Q CB -0.273 28.578 28.738 0.189 0.000 0.915 453 Q HN 0.331 nan 8.270 nan 0.000 0.416 454 L N 0.756 121.901 121.223 -0.130 0.000 2.093 454 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 454 L C 2.246 178.998 176.870 -0.197 0.000 1.085 454 L CA 1.595 56.264 54.840 -0.286 0.000 0.755 454 L CB -0.588 41.222 42.059 -0.414 0.000 0.904 454 L HN 0.134 nan 8.230 nan 0.000 0.435 455 R N -1.308 119.103 120.500 -0.149 0.000 2.096 455 R HA -0.245 4.095 4.340 -0.000 0.000 0.240 455 R C 2.234 178.346 176.300 -0.314 0.000 1.139 455 R CA 1.801 57.766 56.100 -0.225 0.000 0.952 455 R CB -0.746 29.489 30.300 -0.108 0.000 0.854 455 R HN 0.473 nan 8.270 nan 0.000 0.436 456 H N 0.434 119.420 119.070 -0.141 0.000 2.357 456 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 456 H C 1.959 177.212 175.328 -0.124 0.000 1.082 456 H CA 1.466 57.506 56.048 -0.012 0.000 1.342 456 H CB -0.075 29.766 29.762 0.131 0.000 1.389 456 H HN -0.110 nan 8.280 nan 0.000 0.511 457 V N -0.028 119.726 119.914 -0.266 0.000 2.343 457 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 457 V C 2.390 178.248 176.094 -0.394 0.000 1.051 457 V CA 2.213 64.247 62.300 -0.443 0.000 1.036 457 V CB -0.893 30.653 31.823 -0.462 0.000 0.654 457 V HN 0.550 nan 8.190 nan 0.000 0.451 458 T N -0.981 113.416 114.554 -0.263 0.000 2.635 458 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 458 T C 1.839 176.445 174.700 -0.157 0.000 1.040 458 T CA 2.010 64.017 62.100 -0.156 0.000 1.156 458 T CB -0.445 68.309 68.868 -0.191 0.000 0.863 458 T HN 0.515 nan 8.240 nan 0.000 0.430 459 H N 0.401 119.362 119.070 -0.182 0.000 2.319 459 H HA -0.051 4.504 4.556 -0.000 0.000 0.297 459 H C 2.727 177.857 175.328 -0.330 0.000 1.097 459 H CA 0.882 56.816 56.048 -0.189 0.000 1.285 459 H CB -1.136 28.710 29.762 0.141 0.000 1.368 459 H HN 0.407 nan 8.280 nan 0.000 0.495 460 C N 0.192 119.265 119.300 -0.377 0.000 2.440 460 C HA -0.144 4.316 4.460 -0.000 0.000 0.278 460 C C 2.639 177.359 174.990 -0.449 0.000 1.295 460 C CA 0.491 59.067 59.018 -0.738 0.000 1.738 460 C CB -1.313 25.574 27.740 -1.421 0.000 1.987 460 C HN 0.532 nan 8.230 nan 0.000 0.492 461 Y N 2.096 122.160 120.300 -0.393 0.000 2.165 461 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 461 Y C 2.368 178.153 175.900 -0.193 0.000 1.155 461 Y CA 1.787 59.764 58.100 -0.206 0.000 1.164 461 Y CB -0.318 38.120 38.460 -0.036 0.000 0.978 461 Y HN 0.274 nan 8.280 nan 0.000 0.513 462 K N -0.389 119.875 120.400 -0.227 0.000 2.211 462 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 462 K C 2.273 178.719 176.600 -0.256 0.000 1.050 462 K CA 0.847 56.900 56.287 -0.390 0.000 0.945 462 K CB -0.258 31.683 32.500 -0.931 0.000 0.732 462 K HN 0.396 nan 8.250 nan 0.000 0.451 463 A N 1.001 123.736 122.820 -0.142 0.000 1.873 463 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 463 A C 0.756 178.346 177.584 0.010 0.000 1.186 463 A CA 1.204 53.288 52.037 0.079 0.000 0.616 463 A CB 0.145 19.273 19.000 0.215 0.000 0.823 463 A HN 0.266 nan 8.150 nan 0.000 0.442 464 D N -3.389 116.946 120.400 -0.108 0.000 2.871 464 D HA 0.258 4.898 4.640 -0.000 0.000 0.209 464 D C -2.659 173.453 176.300 -0.313 0.000 1.292 464 D CA -1.182 52.733 54.000 -0.142 0.000 0.869 464 D CB 1.489 42.282 40.800 -0.011 0.000 1.663 464 D HN -0.196 nan 8.370 nan 0.000 0.557 465 P HA -0.099 nan 4.420 nan 0.000 0.217 465 P C 1.013 178.242 177.300 -0.118 0.000 1.148 465 P CA 1.488 64.213 63.100 -0.625 0.000 0.828 465 P CB 0.327 31.736 31.700 -0.485 0.000 0.783 466 A N -1.891 120.922 122.820 -0.011 0.000 2.014 466 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 466 A C 2.184 179.802 177.584 0.057 0.000 1.163 466 A CA 0.962 53.082 52.037 0.137 0.000 0.652 466 A CB -1.645 17.571 19.000 0.361 0.000 0.808 466 A HN 0.104 nan 8.150 nan 0.000 0.449 467 Y N 1.002 120.980 120.300 -0.536 0.000 2.109 467 Y HA -0.058 4.492 4.550 -0.000 0.000 0.285 467 Y C 2.471 178.144 175.900 -0.378 0.000 1.131 467 Y CA 1.177 58.831 58.100 -0.743 0.000 1.121 467 Y CB -1.180 36.527 38.460 -1.255 0.000 0.987 467 Y HN 0.224 nan 8.280 nan 0.000 0.495 468 G N -0.218 108.424 108.800 -0.264 0.000 2.446 468 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 468 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 468 G C 1.660 176.380 174.900 -0.301 0.000 1.168 468 G CA 0.992 45.920 45.100 -0.286 0.000 0.771 468 G HN 0.530 nan 8.290 nan 0.000 0.551 469 E N 0.126 120.305 120.200 -0.034 0.000 2.150 469 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 469 E C 2.655 179.090 176.600 -0.275 0.000 0.985 469 E CA 0.784 57.186 56.400 0.003 0.000 0.814 469 E CB -0.429 29.352 29.700 0.136 0.000 0.752 469 E HN 0.351 nan 8.360 nan 0.000 0.466 470 G N 0.918 109.329 108.800 -0.648 0.000 2.418 470 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 470 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 470 G C 1.506 175.927 174.900 -0.798 0.000 1.158 470 G CA 0.904 45.183 45.100 -1.369 0.000 0.771 470 G HN 0.228 nan 8.290 nan 0.000 0.545 471 I N 0.897 121.160 120.570 -0.511 0.000 2.339 471 I HA 0.077 4.247 4.170 -0.000 0.000 0.245 471 I C 3.090 179.054 176.117 -0.255 0.000 1.096 471 I CA 0.781 61.947 61.300 -0.222 0.000 1.408 471 I CB -0.523 37.401 38.000 -0.127 0.000 1.092 471 I HN 0.185 nan 8.210 nan 0.000 0.423 472 G N 1.258 109.861 108.800 -0.328 0.000 2.469 472 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 472 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 472 G C 1.729 176.560 174.900 -0.116 0.000 1.150 472 G CA 0.811 45.782 45.100 -0.215 0.000 0.763 472 G HN 0.287 nan 8.290 nan 0.000 0.561 473 K N -0.173 120.165 120.400 -0.103 0.000 2.009 473 K HA 0.007 4.327 4.320 -0.000 0.000 0.210 473 K C 2.533 179.057 176.600 -0.128 0.000 1.049 473 K CA 1.132 57.372 56.287 -0.077 0.000 0.929 473 K CB -0.376 32.084 32.500 -0.067 0.000 0.714 473 K HN 0.289 nan 8.250 nan 0.000 0.440 474 L N 0.879 122.016 121.223 -0.144 0.000 2.191 474 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 474 L C 1.979 178.717 176.870 -0.220 0.000 1.103 474 L CA 0.791 55.554 54.840 -0.129 0.000 0.769 474 L CB -0.242 41.778 42.059 -0.066 0.000 0.908 474 L HN 0.180 nan 8.230 nan 0.000 0.438 475 L N -0.545 120.449 121.223 -0.381 0.000 2.592 475 L HA 0.196 4.536 4.340 -0.000 0.000 0.227 475 L C 1.403 177.794 176.870 -0.797 0.000 1.127 475 L CA 0.443 54.889 54.840 -0.658 0.000 0.884 475 L CB -0.274 41.200 42.059 -0.976 0.000 1.065 475 L HN 0.455 nan 8.230 nan 0.000 0.457 476 G N 0.199 108.722 108.800 -0.461 0.000 2.143 476 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 476 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 476 G C 0.169 175.011 174.900 -0.097 0.000 0.991 476 G CA -0.294 44.660 45.100 -0.244 0.000 0.689 476 G HN 0.272 nan 8.290 nan 0.000 0.522 477 F N 0.365 120.326 119.950 0.020 0.000 2.382 477 F HA 0.458 4.985 4.527 -0.000 0.000 0.331 477 F C 0.922 176.768 175.800 0.075 0.000 1.121 477 F CA -0.676 57.361 58.000 0.062 0.000 1.183 477 F CB 0.793 39.873 39.000 0.133 0.000 1.207 477 F HN 0.100 nan 8.300 nan 0.000 0.555 478 D N 1.668 122.200 120.400 0.220 0.000 2.255 478 D HA 0.117 4.757 4.640 -0.000 0.000 0.249 478 D C 0.941 177.164 176.300 -0.129 0.000 1.078 478 D CA -0.249 53.777 54.000 0.043 0.000 0.896 478 D CB 1.156 41.944 40.800 -0.020 0.000 1.194 478 D HN 0.546 nan 8.370 nan 0.000 0.429 479 I N 2.389 122.795 120.570 -0.273 0.000 2.423 479 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 479 I C 1.842 177.439 176.117 -0.866 0.000 1.151 479 I CA 1.424 62.267 61.300 -0.762 0.000 1.421 479 I CB -0.041 37.729 38.000 -0.383 0.000 1.079 479 I HN 0.533 nan 8.210 nan 0.000 0.431 480 S N -0.403 115.020 115.700 -0.462 0.000 2.474 480 S HA -0.158 4.312 4.470 -0.000 0.000 0.235 480 S C 1.602 175.983 174.600 -0.365 0.000 0.997 480 S CA 1.035 59.018 58.200 -0.362 0.000 0.949 480 S CB -0.506 62.567 63.200 -0.211 0.000 0.766 480 S HN 0.612 nan 8.310 nan 0.000 0.517 481 E N 0.277 120.241 120.200 -0.393 0.000 2.371 481 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 481 E C 0.703 177.157 176.600 -0.243 0.000 1.012 481 E CA 0.903 57.141 56.400 -0.270 0.000 0.860 481 E CB -0.059 29.521 29.700 -0.199 0.000 0.811 481 E HN 1.055 nan 8.360 nan 0.000 0.502 482 Y N -3.104 117.005 120.300 -0.319 0.000 2.717 482 Y HA 0.418 4.968 4.550 -0.000 0.000 0.250 482 Y C 1.110 176.676 175.900 -0.556 0.000 1.149 482 Y CA -0.614 57.264 58.100 -0.371 0.000 1.211 482 Y CB -0.367 37.895 38.460 -0.329 0.000 1.289 482 Y HN -0.188 nan 8.280 nan 0.000 0.552 483 N N 1.517 119.779 118.700 -0.730 0.000 2.396 483 N HA -0.040 4.700 4.740 -0.000 0.000 0.180 483 N C 0.234 175.513 175.510 -0.386 0.000 1.028 483 N CA 1.188 53.762 53.050 -0.793 0.000 0.893 483 N CB 0.294 38.453 38.487 -0.547 0.000 0.967 483 N HN 0.605 nan 8.380 nan 0.000 0.440 484 S N 0.000 115.559 115.700 -0.235 0.000 2.498 484 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 484 S CA 0.000 58.142 58.200 -0.097 0.000 1.107 484 S CB 0.000 63.148 63.200 -0.087 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517