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_A 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 58.185 58.200 -0.024 0.000 1.107 3 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 4 K N 1.093 121.479 120.400 -0.024 0.000 2.358 4 K HA 0.299 4.620 4.320 0.003 0.000 0.200 4 K C -0.293 176.286 176.600 -0.036 0.000 1.030 4 K CA -0.111 56.162 56.287 -0.022 0.000 1.097 4 K CB 0.579 33.070 32.500 -0.015 0.000 0.862 4 K HN 0.160 nan 8.250 nan 0.000 0.534 5 K N 1.782 122.153 120.400 -0.047 0.000 2.379 5 K HA 0.063 4.384 4.320 0.003 0.000 0.284 5 K C -0.396 176.149 176.600 -0.093 0.000 1.044 5 K CA -0.349 55.897 56.287 -0.070 0.000 0.974 5 K CB 0.565 33.023 32.500 -0.069 0.000 0.962 5 K HN -0.088 nan 8.250 nan 0.000 0.474 6 L N 3.639 124.785 121.223 -0.127 0.000 2.380 6 L HA 0.147 4.489 4.340 0.003 0.000 0.273 6 L C 0.086 176.803 176.870 -0.256 0.000 1.138 6 L CA 0.757 55.486 54.840 -0.185 0.000 0.832 6 L CB 0.781 42.706 42.059 -0.223 0.000 1.124 6 L HN 0.821 nan 8.230 nan 0.000 0.454 7 T N 0.280 114.683 114.554 -0.253 0.000 2.907 7 T HA 0.672 5.024 4.350 0.003 0.000 0.290 7 T C 0.173 174.690 174.700 -0.304 0.000 1.066 7 T CA -0.146 61.800 62.100 -0.256 0.000 1.012 7 T CB 1.155 69.942 68.868 -0.135 0.000 1.184 7 T HN 0.799 nan 8.240 nan 0.000 0.522 8 T N -0.892 113.531 114.554 -0.219 0.000 2.726 8 T HA 0.505 4.857 4.350 0.003 0.000 0.294 8 T C 1.863 176.573 174.700 0.016 0.000 1.013 8 T CA -0.207 61.878 62.100 -0.024 0.000 0.996 8 T CB 0.002 68.908 68.868 0.063 0.000 1.016 8 T HN 1.055 nan 8.240 nan 0.000 0.529 9 A N 0.368 123.224 122.820 0.060 0.000 2.019 9 A HA 0.254 4.576 4.320 0.003 0.000 0.219 9 A C 2.424 180.026 177.584 0.030 0.000 1.164 9 A CA 1.419 53.471 52.037 0.025 0.000 0.644 9 A CB -1.323 17.691 19.000 0.024 0.000 0.805 9 A HN 1.230 nan 8.150 nan 0.000 0.449 10 A N -1.944 120.899 122.820 0.037 0.000 2.251 10 A HA 0.431 4.753 4.320 0.003 0.000 0.209 10 A C 1.673 179.259 177.584 0.003 0.000 1.187 10 A CA 1.103 53.155 52.037 0.025 0.000 0.823 10 A CB -0.781 18.240 19.000 0.035 0.000 0.846 10 A HN 1.821 nan 8.150 nan 0.000 0.486 11 G N -1.755 107.037 108.800 -0.013 0.000 2.141 11 G HA2 -0.246 3.716 3.960 0.003 0.000 0.231 11 G HA3 -0.246 3.716 3.960 0.003 0.000 0.231 11 G C 0.331 175.202 174.900 -0.047 0.000 0.984 11 G CA 0.122 45.203 45.100 -0.032 0.000 0.660 11 G HN 1.086 nan 8.290 nan 0.000 0.525 12 C N 2.021 121.291 119.300 -0.049 0.000 2.514 12 C HA 0.642 5.104 4.460 0.003 0.000 0.392 12 C C -1.429 173.491 174.990 -0.117 0.000 1.294 12 C CA -1.871 57.110 59.018 -0.062 0.000 1.957 12 C CB 0.226 27.945 27.740 -0.035 0.000 2.541 12 C HN 0.362 nan 8.230 nan 0.000 0.569 13 P HA 0.081 nan 4.420 nan 0.000 0.264 13 P C -0.858 176.304 177.300 -0.231 0.000 1.183 13 P CA 0.292 63.294 63.100 -0.163 0.000 0.763 13 P CB 0.284 31.909 31.700 -0.125 0.000 0.807 14 V N 3.465 123.171 119.914 -0.347 0.000 2.364 14 V HA 0.290 4.412 4.120 0.003 0.000 0.272 14 V C 1.265 177.149 176.094 -0.349 0.000 1.036 14 V CA 0.279 62.292 62.300 -0.479 0.000 0.880 14 V CB 0.575 31.821 31.823 -0.961 0.000 0.991 14 V HN 0.674 nan 8.190 nan 0.000 0.460 15 A N 3.845 126.484 122.820 -0.302 0.000 1.984 15 A HA 0.119 4.441 4.320 0.003 0.000 0.214 15 A C 0.825 178.094 177.584 -0.525 0.000 1.173 15 A CA 0.717 52.506 52.037 -0.413 0.000 0.673 15 A CB 0.059 18.770 19.000 -0.481 0.000 0.830 15 A HN 0.796 nan 8.150 nan 0.000 0.453 16 H N -0.686 118.356 119.070 -0.046 0.000 2.970 16 H HA 0.275 4.832 4.556 0.003 0.000 0.315 16 H C -0.761 174.645 175.328 0.130 0.000 0.992 16 H CA -0.381 55.690 56.048 0.039 0.000 1.363 16 H CB 1.068 30.874 29.762 0.073 0.000 1.532 16 H HN 0.365 nan 8.280 nan 0.000 0.514 17 N N 1.133 119.961 118.700 0.213 0.000 2.177 17 N HA -0.021 4.720 4.740 0.003 0.000 0.218 17 N C 0.758 176.397 175.510 0.216 0.000 1.182 17 N CA 0.151 53.380 53.050 0.298 0.000 0.882 17 N CB 0.731 39.351 38.487 0.222 0.000 1.052 17 N HN 0.392 nan 8.380 nan 0.000 0.519 18 Q N -0.841 119.062 119.800 0.172 0.000 2.422 18 Q HA 0.325 4.666 4.340 0.003 0.000 0.255 18 Q C -0.504 175.550 176.000 0.090 0.000 0.864 18 Q CA 0.525 56.395 55.803 0.112 0.000 0.968 18 Q CB 0.549 29.338 28.738 0.084 0.000 1.130 18 Q HN 0.223 nan 8.270 nan 0.000 0.556 19 N N 1.246 120.005 118.700 0.098 0.000 2.346 19 N HA 0.287 5.029 4.740 0.003 0.000 0.289 19 N C -0.229 175.291 175.510 0.017 0.000 1.027 19 N CA -0.210 52.861 53.050 0.036 0.000 0.864 19 N CB 3.267 41.756 38.487 0.003 0.000 1.370 19 N HN -0.088 nan 8.380 nan 0.000 0.481 20 V N -0.150 119.746 119.914 -0.029 0.000 3.051 20 V HA 0.196 4.318 4.120 0.003 0.000 0.306 20 V C 0.666 176.699 176.094 -0.103 0.000 1.083 20 V CA -0.551 61.702 62.300 -0.078 0.000 1.104 20 V CB 0.699 32.380 31.823 -0.237 0.000 1.027 20 V HN 0.638 nan 8.190 nan 0.000 0.483 21 Q N 1.620 121.362 119.800 -0.097 0.000 2.304 21 Q HA 0.493 4.835 4.340 0.003 0.000 0.260 21 Q C -0.045 175.897 176.000 -0.098 0.000 0.965 21 Q CA 0.032 55.776 55.803 -0.098 0.000 0.898 21 Q CB 1.031 29.732 28.738 -0.061 0.000 1.196 21 Q HN 1.142 nan 8.270 nan 0.000 0.402 22 T N -0.728 113.774 114.554 -0.086 0.000 2.901 22 T HA 0.669 5.021 4.350 0.003 0.000 0.293 22 T C -0.572 174.095 174.700 -0.055 0.000 1.084 22 T CA -0.840 61.215 62.100 -0.075 0.000 1.008 22 T CB 1.612 70.435 68.868 -0.075 0.000 1.170 22 T HN 0.517 nan 8.240 nan 0.000 0.509 23 A N 1.280 124.073 122.820 -0.046 0.000 2.990 23 A HA 0.683 5.005 4.320 0.003 0.000 0.282 23 A C 1.215 178.780 177.584 -0.031 0.000 1.688 23 A CA 0.235 52.251 52.037 -0.034 0.000 1.391 23 A CB -1.679 17.304 19.000 -0.028 0.000 1.112 23 A HN 2.207 nan 8.150 nan 0.000 0.588 24 G N 0.845 109.626 108.800 -0.032 0.000 2.730 24 G HA2 -0.179 3.783 3.960 0.003 0.000 0.686 24 G HA3 -0.179 3.783 3.960 0.003 0.000 0.686 24 G C 0.541 175.422 174.900 -0.033 0.000 1.343 24 G CA -0.077 45.006 45.100 -0.028 0.000 0.826 24 G HN 0.549 nan 8.290 nan 0.000 0.582 25 K N -0.240 120.143 120.400 -0.028 0.000 2.107 25 K HA -0.176 4.145 4.320 0.003 0.000 0.211 25 K C 1.982 178.564 176.600 -0.030 0.000 1.049 25 K CA 1.849 58.119 56.287 -0.028 0.000 0.927 25 K CB -0.100 32.387 32.500 -0.021 0.000 0.714 25 K HN 0.377 nan 8.250 nan 0.000 0.452 26 R N -0.181 120.303 120.500 -0.027 0.000 2.577 26 R HA 0.158 4.500 4.340 0.003 0.000 0.344 26 R C 0.436 176.718 176.300 -0.029 0.000 1.037 26 R CA -0.033 56.051 56.100 -0.027 0.000 1.102 26 R CB 1.201 31.489 30.300 -0.020 0.000 1.313 26 R HN 0.083 nan 8.270 nan 0.000 0.561 27 G N 1.897 110.677 108.800 -0.033 0.000 2.522 27 G HA2 0.469 4.431 3.960 0.003 0.000 0.304 27 G HA3 0.469 4.431 3.960 0.003 0.000 0.304 27 G C -2.498 172.376 174.900 -0.044 0.000 1.210 27 G CA -0.911 44.169 45.100 -0.034 0.000 0.960 27 G HN -0.110 nan 8.290 nan 0.000 0.497 28 P HA 0.163 nan 4.420 nan 0.000 0.274 28 P C -0.310 176.949 177.300 -0.069 0.000 1.246 28 P CA -0.470 62.598 63.100 -0.053 0.000 0.795 28 P CB 0.562 32.237 31.700 -0.041 0.000 1.006 29 Q N 0.604 120.347 119.800 -0.094 0.000 2.340 29 Q HA 0.268 4.610 4.340 0.003 0.000 0.249 29 Q C -0.917 175.027 176.000 -0.094 0.000 0.957 29 Q CA -0.344 55.382 55.803 -0.129 0.000 0.882 29 Q CB 0.221 28.828 28.738 -0.219 0.000 1.235 29 Q HN 0.350 nan 8.270 nan 0.000 0.439 30 L N 4.399 125.572 121.223 -0.084 0.000 2.312 30 L HA 0.114 4.456 4.340 0.003 0.000 0.281 30 L C 1.056 177.912 176.870 -0.023 0.000 1.070 30 L CA -0.552 54.263 54.840 -0.043 0.000 0.805 30 L CB 0.893 42.934 42.059 -0.029 0.000 1.174 30 L HN 0.791 nan 8.230 nan 0.000 0.434 31 L N 3.046 124.271 121.223 0.003 0.000 2.127 31 L HA -0.223 4.118 4.340 0.003 0.000 0.211 31 L C 2.344 179.249 176.870 0.059 0.000 1.089 31 L CA 1.798 56.660 54.840 0.036 0.000 0.757 31 L CB -0.512 41.568 42.059 0.034 0.000 0.899 31 L HN 0.828 nan 8.230 nan 0.000 0.434 32 Q N -1.467 118.360 119.800 0.045 0.000 2.466 32 Q HA -0.080 4.262 4.340 0.003 0.000 0.210 32 Q C 0.127 176.177 176.000 0.084 0.000 0.961 32 Q CA 0.294 56.133 55.803 0.060 0.000 0.953 32 Q CB -0.530 28.234 28.738 0.044 0.000 1.011 32 Q HN 0.350 nan 8.270 nan 0.000 0.516 33 D N 1.871 122.326 120.400 0.091 0.000 2.455 33 D HA 0.005 4.647 4.640 0.003 0.000 0.234 33 D C 1.133 177.561 176.300 0.214 0.000 1.224 33 D CA -0.150 53.937 54.000 0.145 0.000 0.999 33 D CB 1.260 42.123 40.800 0.105 0.000 1.072 33 D HN 0.225 nan 8.370 nan 0.000 0.514 34 V N 2.512 122.547 119.914 0.202 0.000 2.788 34 V HA -0.010 4.112 4.120 0.003 0.000 0.251 34 V C 2.112 178.345 176.094 0.232 0.000 1.068 34 V CA 0.338 62.751 62.300 0.188 0.000 1.090 34 V CB -0.855 31.058 31.823 0.151 0.000 0.710 34 V HN 0.596 nan 8.190 nan 0.000 0.467 35 W N 0.671 122.031 121.300 0.101 0.000 2.358 35 W HA -0.237 4.424 4.660 0.003 0.000 0.303 35 W C 2.262 178.833 176.519 0.087 0.000 1.208 35 W CA 1.637 59.029 57.345 0.077 0.000 1.274 35 W CB -0.337 29.171 29.460 0.081 0.000 1.138 35 W HN 0.396 nan 8.180 nan 0.000 0.515 36 F N 1.767 121.636 119.950 -0.135 0.000 2.095 36 F HA -0.275 4.254 4.527 0.003 0.000 0.298 36 F C 2.294 177.956 175.800 -0.231 0.000 1.104 36 F CA 2.469 60.314 58.000 -0.259 0.000 1.232 36 F CB -0.953 37.989 39.000 -0.096 0.000 0.987 36 F HN -0.224 nan 8.300 nan 0.000 0.475 37 L N 0.145 121.280 121.223 -0.147 0.000 2.012 37 L HA -0.240 4.102 4.340 0.003 0.000 0.210 37 L C 2.595 179.314 176.870 -0.251 0.000 1.073 37 L CA 2.094 56.814 54.840 -0.200 0.000 0.748 37 L CB -0.982 41.099 42.059 0.035 0.000 0.891 37 L HN 0.305 nan 8.230 nan 0.000 0.431 38 E N 0.676 120.776 120.200 -0.168 0.000 2.031 38 E HA -0.292 4.060 4.350 0.003 0.000 0.193 38 E C 2.272 178.725 176.600 -0.246 0.000 0.994 38 E CA 1.493 57.841 56.400 -0.086 0.000 0.800 38 E CB 0.031 29.756 29.700 0.042 0.000 0.752 38 E HN 0.266 nan 8.360 nan 0.000 0.447 39 K N 0.085 120.049 120.400 -0.726 0.000 2.032 39 K HA -0.166 4.155 4.320 0.003 0.000 0.209 39 K C 2.178 178.521 176.600 -0.429 0.000 1.048 39 K CA 1.240 57.036 56.287 -0.819 0.000 0.927 39 K CB -0.032 31.649 32.500 -1.364 0.000 0.712 39 K HN 0.189 nan 8.250 nan 0.000 0.441 40 L N 0.401 121.300 121.223 -0.540 0.000 2.156 40 L HA -0.047 4.295 4.340 0.003 0.000 0.208 40 L C 2.503 179.301 176.870 -0.121 0.000 1.095 40 L CA 1.587 56.221 54.840 -0.343 0.000 0.770 40 L CB -1.236 40.442 42.059 -0.636 0.000 0.914 40 L HN 0.283 nan 8.230 nan 0.000 0.439 41 A N -1.360 121.366 122.820 -0.156 0.000 1.969 41 A HA -0.201 4.121 4.320 0.003 0.000 0.218 41 A C 2.090 179.616 177.584 -0.097 0.000 1.169 41 A CA 1.094 53.067 52.037 -0.106 0.000 0.635 41 A CB -0.611 18.323 19.000 -0.110 0.000 0.810 41 A HN 0.457 nan 8.150 nan 0.000 0.445 42 H N -2.617 116.393 119.070 -0.100 0.000 2.372 42 H HA -0.058 4.500 4.556 0.003 0.000 0.301 42 H C 1.971 177.268 175.328 -0.052 0.000 1.065 42 H CA 1.503 57.508 56.048 -0.072 0.000 1.364 42 H CB -0.264 29.462 29.762 -0.059 0.000 1.406 42 H HN 0.593 nan 8.280 nan 0.000 0.521 43 F N 2.717 122.637 119.950 -0.050 0.000 2.091 43 F HA -0.219 4.309 4.527 0.003 0.000 0.299 43 F C 1.685 177.429 175.800 -0.094 0.000 1.103 43 F CA 1.492 59.437 58.000 -0.091 0.000 1.228 43 F CB -0.248 38.676 39.000 -0.127 0.000 0.984 43 F HN -0.015 nan 8.300 nan 0.000 0.477 44 D N 0.055 120.333 120.400 -0.204 0.000 2.351 44 D HA -0.101 4.541 4.640 0.003 0.000 0.216 44 D C 1.604 177.748 176.300 -0.259 0.000 0.968 44 D CA 0.962 54.795 54.000 -0.278 0.000 0.899 44 D CB -0.243 40.484 40.800 -0.121 0.000 0.907 44 D HN 0.415 nan 8.370 nan 0.000 0.514 45 R N -0.028 120.336 120.500 -0.225 0.000 2.577 45 R HA 0.185 4.526 4.340 0.003 0.000 0.344 45 R C 1.221 177.407 176.300 -0.190 0.000 1.037 45 R CA -0.106 55.882 56.100 -0.186 0.000 1.102 45 R CB 0.582 30.780 30.300 -0.170 0.000 1.313 45 R HN 0.127 nan 8.270 nan 0.000 0.561 46 E N 0.412 120.462 120.200 -0.250 0.000 2.150 46 E HA -0.066 4.286 4.350 0.003 0.000 0.193 46 E C 0.203 176.645 176.600 -0.264 0.000 0.985 46 E CA 0.796 57.027 56.400 -0.282 0.000 0.814 46 E CB 0.317 29.837 29.700 -0.300 0.000 0.752 46 E HN -0.001 nan 8.360 nan 0.000 0.466 47 V N 2.920 122.727 119.914 -0.179 0.000 2.509 47 V HA 0.220 4.342 4.120 0.003 0.000 0.284 47 V C 0.301 176.382 176.094 -0.021 0.000 1.047 47 V CA -0.407 61.846 62.300 -0.077 0.000 0.952 47 V CB 0.930 32.704 31.823 -0.082 0.000 0.988 47 V HN 0.116 nan 8.190 nan 0.000 0.469 48 I N 2.469 123.081 120.570 0.069 0.000 2.910 48 I HA 0.734 4.905 4.170 0.003 0.000 0.310 48 I C -2.556 173.570 176.117 0.015 0.000 1.043 48 I CA -2.834 58.486 61.300 0.033 0.000 1.053 48 I CB 1.641 39.689 38.000 0.079 0.000 1.242 48 I HN 0.352 nan 8.210 nan 0.000 0.452 49 P HA 0.060 nan 4.420 nan 0.000 0.265 49 P C -0.772 176.544 177.300 0.027 0.000 1.193 49 P CA -0.030 63.070 63.100 0.000 0.000 0.765 49 P CB 0.369 32.062 31.700 -0.012 0.000 0.823 50 E N 3.008 123.239 120.200 0.052 0.000 2.410 50 E HA 0.092 4.444 4.350 0.003 0.000 0.255 50 E C -0.435 176.200 176.600 0.059 0.000 1.194 50 E CA -0.663 55.774 56.400 0.061 0.000 0.955 50 E CB 0.513 30.257 29.700 0.072 0.000 0.988 50 E HN 0.274 nan 8.360 nan 0.000 0.461 51 R N 0.794 121.330 120.500 0.060 0.000 2.623 51 R HA 0.072 4.413 4.340 0.003 0.000 0.271 51 R C 0.439 176.784 176.300 0.075 0.000 1.043 51 R CA -0.347 55.789 56.100 0.059 0.000 1.083 51 R CB 0.382 30.728 30.300 0.076 0.000 0.974 51 R HN 0.461 nan 8.270 nan 0.000 0.436 55 A N 0.890 123.803 122.820 0.155 0.000 1.972 55 A HA -0.119 4.203 4.320 0.003 0.000 0.219 55 A C 1.431 179.100 177.584 0.142 0.000 1.169 55 A CA 1.291 53.405 52.037 0.129 0.000 0.635 55 A CB -0.013 19.045 19.000 0.096 0.000 0.810 55 A HN 0.114 nan 8.150 nan 0.000 0.446 56 K N 0.011 120.495 120.400 0.140 0.000 2.253 56 K HA 0.531 4.853 4.320 0.003 0.000 0.277 56 K C -0.022 176.699 176.600 0.202 0.000 1.053 56 K CA 0.641 57.022 56.287 0.157 0.000 0.892 56 K CB 0.686 33.257 32.500 0.119 0.000 1.102 56 K HN 0.338 nan 8.250 nan 0.000 0.469 57 G N 0.803 109.752 108.800 0.247 0.000 2.548 57 G HA2 0.549 4.510 3.960 0.003 0.000 0.301 57 G HA3 0.549 4.510 3.960 0.003 0.000 0.301 57 G C -1.525 173.570 174.900 0.325 0.000 1.349 57 G CA -0.764 44.483 45.100 0.244 0.000 0.792 57 G HN 0.473 nan 8.290 nan 0.000 0.481 58 S N -1.715 114.112 115.700 0.212 0.000 2.541 58 S HA 0.868 5.340 4.470 0.003 0.000 0.271 58 S C -0.146 174.448 174.600 -0.010 0.000 1.133 58 S CA -0.145 58.220 58.200 0.275 0.000 0.876 58 S CB 1.949 65.407 63.200 0.431 0.000 1.105 58 S HN 1.503 nan 8.310 nan 0.000 0.470 59 G N 0.190 108.972 108.800 -0.031 0.000 2.642 59 G HA2 0.892 4.853 3.960 0.003 0.000 0.293 59 G HA3 0.892 4.853 3.960 0.003 0.000 0.293 59 G C -1.487 173.246 174.900 -0.277 0.000 1.341 59 G CA -0.530 44.335 45.100 -0.391 0.000 0.916 59 G HN 1.075 nan 8.290 nan 0.000 0.474 60 A N -0.534 121.931 122.820 -0.592 0.000 2.608 60 A HA 0.744 5.066 4.320 0.003 0.000 0.292 60 A C -1.838 175.525 177.584 -0.369 0.000 1.066 60 A CA -0.758 51.126 52.037 -0.256 0.000 0.676 60 A CB 0.702 19.690 19.000 -0.020 0.000 1.277 60 A HN 0.681 nan 8.150 nan 0.000 0.413 61 Y N 0.133 120.489 120.300 0.093 0.000 2.354 61 Y HA 0.658 5.210 4.550 0.003 0.000 0.322 61 Y C 1.231 177.149 175.900 0.031 0.000 1.253 61 Y CA 0.975 59.145 58.100 0.118 0.000 1.272 61 Y CB 1.969 40.521 38.460 0.153 0.000 1.255 61 Y HN 1.128 nan 8.280 nan 0.000 0.500 62 G N -0.393 108.535 108.800 0.213 0.000 2.570 62 G HA2 0.548 4.510 3.960 0.003 0.000 0.310 62 G HA3 0.548 4.510 3.960 0.003 0.000 0.310 62 G C -1.617 173.398 174.900 0.190 0.000 1.266 62 G CA -0.888 44.309 45.100 0.162 0.000 0.825 62 G HN 0.389 nan 8.290 nan 0.000 0.483 63 T N 0.470 115.173 114.554 0.248 0.000 2.991 63 T HA 0.486 4.837 4.350 0.003 0.000 0.303 63 T C -1.588 173.367 174.700 0.426 0.000 1.015 63 T CA -0.224 62.045 62.100 0.281 0.000 1.007 63 T CB 1.552 70.533 68.868 0.187 0.000 1.034 63 T HN 0.555 nan 8.240 nan 0.000 0.446 64 F N 2.981 123.146 119.950 0.357 0.000 2.408 64 F HA 0.625 5.155 4.527 0.005 0.000 0.344 64 F C -0.066 175.937 175.800 0.338 0.000 1.112 64 F CA -0.110 58.166 58.000 0.460 0.000 1.096 64 F CB 1.045 40.401 39.000 0.594 0.000 1.129 64 F HN 0.416 nan 8.300 nan 0.000 0.486 65 T N 5.776 120.054 114.554 -0.460 0.000 2.824 65 T HA 0.417 4.769 4.350 0.003 0.000 0.282 65 T C -0.756 173.615 174.700 -0.548 0.000 0.993 65 T CA -0.623 61.288 62.100 -0.315 0.000 0.967 65 T CB 1.492 70.307 68.868 -0.089 0.000 0.960 65 T HN 0.385 nan 8.240 nan 0.000 0.441 66 V N 3.770 123.577 119.914 -0.179 0.000 2.572 66 V HA 0.253 4.374 4.120 0.003 0.000 0.291 66 V C 1.597 177.700 176.094 0.016 0.000 1.039 66 V CA 0.240 62.553 62.300 0.021 0.000 1.055 66 V CB 0.816 32.770 31.823 0.218 0.000 0.969 66 V HN 1.191 nan 8.190 nan 0.000 0.482 67 T N 0.131 114.729 114.554 0.073 0.000 2.955 67 T HA 0.260 4.611 4.350 0.003 0.000 0.251 67 T C 0.385 175.020 174.700 -0.109 0.000 1.002 67 T CA 0.087 62.208 62.100 0.035 0.000 0.970 67 T CB 0.120 69.068 68.868 0.133 0.000 1.091 67 T HN 0.662 nan 8.240 nan 0.000 0.495 68 H N 0.325 119.420 119.070 0.041 0.000 2.894 68 H HA 0.692 5.251 4.556 0.006 0.000 0.368 68 H C -1.582 173.768 175.328 0.037 0.000 1.181 68 H CA -0.958 55.110 56.048 0.032 0.000 1.146 68 H CB 1.440 31.216 29.762 0.022 0.000 1.839 68 H HN 0.009 nan 8.280 nan 0.000 0.557 69 D N 1.661 122.144 120.400 0.139 0.000 2.373 69 D HA 0.140 4.782 4.640 0.003 0.000 0.227 69 D C 0.321 176.665 176.300 0.074 0.000 1.091 69 D CA -0.403 53.645 54.000 0.080 0.000 0.840 69 D CB 0.388 41.215 40.800 0.046 0.000 1.060 69 D HN 0.615 nan 8.370 nan 0.000 0.502 70 I N 0.937 121.531 120.570 0.039 0.000 3.856 70 I HA 0.175 4.346 4.170 0.003 0.000 0.330 70 I C 1.294 177.403 176.117 -0.014 0.000 1.546 70 I CA -0.403 60.926 61.300 0.049 0.000 1.132 70 I CB 0.220 38.201 38.000 -0.033 0.000 1.157 70 I HN 0.154 nan 8.210 nan 0.000 0.440 71 T N -2.197 112.336 114.554 -0.036 0.000 3.051 71 T HA -0.126 4.226 4.350 0.003 0.000 0.269 71 T C 1.694 176.309 174.700 -0.141 0.000 1.127 71 T CA 0.992 63.050 62.100 -0.070 0.000 1.107 71 T CB -0.242 68.606 68.868 -0.033 0.000 0.898 71 T HN 0.501 nan 8.240 nan 0.000 0.517 72 K N 0.096 120.353 120.400 -0.239 0.000 2.211 72 K HA -0.102 4.220 4.320 0.003 0.000 0.203 72 K C 1.132 177.394 176.600 -0.563 0.000 1.050 72 K CA 1.104 57.126 56.287 -0.441 0.000 0.945 72 K CB -0.157 31.941 32.500 -0.670 0.000 0.732 72 K HN 0.548 nan 8.250 nan 0.000 0.451 73 Y N -0.457 119.708 120.300 -0.224 0.000 2.524 73 Y HA 0.134 4.685 4.550 0.002 0.000 0.270 73 Y C 0.930 176.732 175.900 -0.163 0.000 1.094 73 Y CA 0.315 58.227 58.100 -0.314 0.000 1.276 73 Y CB 0.786 39.012 38.460 -0.389 0.000 1.130 73 Y HN -0.126 nan 8.280 nan 0.000 0.536 74 T N 0.352 114.795 114.554 -0.185 0.000 2.971 74 T HA 0.263 4.615 4.350 0.003 0.000 0.304 74 T C 0.079 174.686 174.700 -0.155 0.000 1.038 74 T CA -0.875 61.049 62.100 -0.293 0.000 1.007 74 T CB 1.078 69.374 68.868 -0.954 0.000 1.055 74 T HN 0.322 nan 8.240 nan 0.000 0.451 75 K N 2.904 123.250 120.400 -0.089 0.000 2.417 75 K HA 0.543 4.864 4.320 0.003 0.000 0.196 75 K C 0.757 177.324 176.600 -0.055 0.000 1.023 75 K CA -0.327 55.928 56.287 -0.054 0.000 1.122 75 K CB 0.229 32.711 32.500 -0.030 0.000 0.850 75 K HN 0.495 nan 8.250 nan 0.000 0.521 76 A N 2.270 125.026 122.820 -0.106 0.000 2.548 76 A HA 0.021 4.343 4.320 0.003 0.000 0.247 76 A C 0.816 178.304 177.584 -0.160 0.000 1.067 76 A CA -0.265 51.662 52.037 -0.183 0.000 0.757 76 A CB 0.347 19.128 19.000 -0.365 0.000 0.996 76 A HN 0.206 nan 8.150 nan 0.000 0.504 77 K N 2.581 122.902 120.400 -0.131 0.000 2.209 77 K HA -0.140 4.182 4.320 0.003 0.000 0.204 77 K C 1.664 178.208 176.600 -0.095 0.000 1.048 77 K CA 1.307 57.553 56.287 -0.068 0.000 0.940 77 K CB -0.395 32.089 32.500 -0.026 0.000 0.729 77 K HN 0.879 nan 8.250 nan 0.000 0.451 78 I N 0.231 120.646 120.570 -0.259 0.000 2.264 78 I HA -0.263 3.909 4.170 0.003 0.000 0.248 78 I C 0.800 176.847 176.117 -0.117 0.000 1.111 78 I CA 1.432 62.555 61.300 -0.295 0.000 1.382 78 I CB 0.077 37.693 38.000 -0.641 0.000 1.060 78 I HN -0.064 nan 8.210 nan 0.000 0.418 79 F N 0.339 120.307 119.950 0.030 0.000 2.693 79 F HA 0.150 4.678 4.527 0.001 0.000 0.303 79 F C 2.492 178.315 175.800 0.037 0.000 1.097 79 F CA 0.331 58.370 58.000 0.066 0.000 1.330 79 F CB -0.904 38.071 39.000 -0.042 0.000 1.067 79 F HN 0.126 nan 8.300 nan 0.000 0.565 80 S N -1.360 114.435 115.700 0.158 0.000 2.406 80 S HA -0.028 4.443 4.470 0.003 0.000 0.228 80 S C 0.378 175.028 174.600 0.083 0.000 1.020 80 S CA 0.744 58.998 58.200 0.090 0.000 0.965 80 S CB -0.077 63.152 63.200 0.048 0.000 0.798 80 S HN 0.214 nan 8.310 nan 0.000 0.488 81 D N 0.151 120.612 120.400 0.102 0.000 2.857 81 D HA 0.391 5.033 4.640 0.003 0.000 0.227 81 D C -0.935 175.417 176.300 0.087 0.000 1.192 81 D CA -0.563 53.483 54.000 0.075 0.000 0.857 81 D CB 1.970 42.804 40.800 0.057 0.000 1.645 81 D HN 0.174 nan 8.370 nan 0.000 0.482 82 I N 1.048 121.652 120.570 0.057 0.000 2.710 82 I HA 0.105 4.277 4.170 0.003 0.000 0.286 82 I C 1.636 177.774 176.117 0.035 0.000 1.181 82 I CA 1.162 62.485 61.300 0.039 0.000 1.430 82 I CB 0.417 38.415 38.000 -0.004 0.000 1.367 82 I HN 0.843 nan 8.210 nan 0.000 0.577 83 G N 4.511 113.331 108.800 0.033 0.000 2.199 83 G HA2 -0.318 3.644 3.960 0.003 0.000 0.254 83 G HA3 -0.318 3.644 3.960 0.003 0.000 0.254 83 G C 0.494 175.426 174.900 0.054 0.000 0.982 83 G CA 0.066 45.185 45.100 0.030 0.000 0.632 83 G HN 0.623 nan 8.290 nan 0.000 0.529 84 K N 1.394 121.842 120.400 0.081 0.000 2.447 84 K HA 0.350 4.672 4.320 0.003 0.000 0.281 84 K C 0.280 176.963 176.600 0.139 0.000 1.031 84 K CA 0.236 56.588 56.287 0.108 0.000 1.019 84 K CB 0.161 32.739 32.500 0.130 0.000 0.918 84 K HN 0.280 nan 8.250 nan 0.000 0.476 85 K N 2.655 123.137 120.400 0.137 0.000 2.164 85 K HA 0.290 4.611 4.320 0.003 0.000 0.258 85 K C -0.967 175.764 176.600 0.218 0.000 0.951 85 K CA -0.703 55.685 56.287 0.169 0.000 0.844 85 K CB 2.060 34.634 32.500 0.123 0.000 1.099 85 K HN 0.500 nan 8.250 nan 0.000 0.435 86 T N 1.797 116.538 114.554 0.311 0.000 2.937 86 T HA 0.139 4.491 4.350 0.003 0.000 0.297 86 T C -1.039 173.865 174.700 0.340 0.000 0.991 86 T CA -0.906 61.387 62.100 0.322 0.000 0.990 86 T CB 1.223 70.315 68.868 0.373 0.000 0.991 86 T HN 0.427 nan 8.240 nan 0.000 0.440 87 D N 3.359 123.927 120.400 0.280 0.000 2.478 87 D HA 0.391 5.032 4.640 0.003 0.000 0.234 87 D C 0.359 176.904 176.300 0.408 0.000 1.154 87 D CA 0.553 54.736 54.000 0.306 0.000 0.874 87 D CB 0.394 41.330 40.800 0.227 0.000 1.198 87 D HN 0.594 nan 8.370 nan 0.000 0.455 88 M N -0.060 119.734 119.600 0.324 0.000 2.721 88 M HA 0.662 5.144 4.480 0.003 0.000 0.271 88 M C -1.684 174.689 176.300 0.121 0.000 1.259 88 M CA -1.150 54.154 55.300 0.006 0.000 0.835 88 M CB 2.309 34.666 32.600 -0.404 0.000 1.689 88 M HN 0.168 nan 8.290 nan 0.000 0.470 89 F N 0.898 120.615 119.950 -0.389 0.000 2.569 89 F HA 0.915 5.444 4.527 0.002 0.000 0.312 89 F C -1.814 173.637 175.800 -0.581 0.000 1.109 89 F CA -0.515 57.245 58.000 -0.400 0.000 0.919 89 F CB 2.009 40.813 39.000 -0.327 0.000 1.211 89 F HN 1.008 nan 8.300 nan 0.000 0.446 90 A N 5.947 127.889 122.820 -1.463 0.000 2.365 90 A HA 0.831 5.152 4.320 0.003 0.000 0.318 90 A C -1.303 175.261 177.584 -1.700 0.000 1.091 90 A CA -0.865 50.263 52.037 -1.515 0.000 0.763 90 A CB 1.479 19.549 19.000 -1.550 0.000 1.248 90 A HN 0.863 nan 8.150 nan 0.000 0.442 91 R N 1.893 121.552 120.500 -1.401 0.000 2.480 91 R HA 0.636 4.978 4.340 0.003 0.000 0.306 91 R C -1.780 173.838 176.300 -1.137 0.000 0.958 91 R CA -0.345 55.132 56.100 -1.038 0.000 0.861 91 R CB 0.860 30.898 30.300 -0.436 0.000 1.171 91 R HN 0.643 nan 8.270 nan 0.000 0.445 92 F N 1.718 121.237 119.950 -0.719 0.000 2.470 92 F HA 0.545 5.073 4.527 0.002 0.000 0.329 92 F C 0.425 175.841 175.800 -0.639 0.000 1.072 92 F CA -0.416 57.060 58.000 -0.874 0.000 0.989 92 F CB 2.227 40.315 39.000 -1.519 0.000 1.193 92 F HN 0.573 nan 8.300 nan 0.000 0.481 93 S N -0.963 114.658 115.700 -0.131 0.000 2.587 93 S HA 0.552 5.024 4.470 0.003 0.000 0.269 93 S C -0.617 174.140 174.600 0.263 0.000 1.154 93 S CA -0.917 57.371 58.200 0.147 0.000 0.824 93 S CB 1.219 64.540 63.200 0.201 0.000 1.118 93 S HN 0.753 nan 8.310 nan 0.000 0.462 94 T N -1.095 113.585 114.554 0.211 0.000 2.865 94 T HA 0.672 5.023 4.350 0.003 0.000 0.302 94 T C 0.860 175.511 174.700 -0.081 0.000 1.078 94 T CA 0.046 62.209 62.100 0.105 0.000 0.942 94 T CB 0.208 69.118 68.868 0.072 0.000 1.387 94 T HN 0.708 nan 8.240 nan 0.000 0.557 95 V N -0.395 119.434 119.914 -0.140 0.000 3.054 95 V HA 0.353 4.475 4.120 0.003 0.000 0.227 95 V C 2.721 178.747 176.094 -0.114 0.000 1.252 95 V CA 0.688 62.790 62.300 -0.330 0.000 1.279 95 V CB -0.722 30.975 31.823 -0.209 0.000 1.118 95 V HN 1.006 nan 8.190 nan 0.000 0.504 96 A N 0.532 123.326 122.820 -0.042 0.000 1.975 96 A HA 0.337 4.659 4.320 0.003 0.000 0.215 96 A C 1.601 179.178 177.584 -0.012 0.000 1.170 96 A CA 0.945 52.965 52.037 -0.029 0.000 0.656 96 A CB -0.863 18.115 19.000 -0.037 0.000 0.821 96 A HN 0.571 nan 8.150 nan 0.000 0.449 97 G N 0.621 109.422 108.800 0.001 0.000 2.353 97 G HA2 0.377 4.339 3.960 0.003 0.000 0.239 97 G HA3 0.377 4.339 3.960 0.003 0.000 0.239 97 G C -0.181 174.737 174.900 0.031 0.000 1.295 97 G CA -0.171 44.938 45.100 0.015 0.000 0.884 97 G HN 0.470 nan 8.290 nan 0.000 0.537 98 E N 0.488 120.706 120.200 0.029 0.000 2.620 98 E HA 0.297 4.648 4.350 0.003 0.000 0.255 98 E C 0.854 177.487 176.600 0.055 0.000 1.346 98 E CA -0.449 55.976 56.400 0.041 0.000 1.013 98 E CB 0.491 30.209 29.700 0.030 0.000 1.131 98 E HN 0.492 nan 8.360 nan 0.000 0.608 99 R N -0.233 120.305 120.500 0.064 0.000 2.570 99 R HA 0.222 4.564 4.340 0.003 0.000 0.277 99 R C 0.856 177.188 176.300 0.052 0.000 1.039 99 R CA 1.343 57.489 56.100 0.076 0.000 1.065 99 R CB -0.107 30.239 30.300 0.078 0.000 0.964 99 R HN 0.744 nan 8.270 nan 0.000 0.428 100 G N 1.650 110.479 108.800 0.047 0.000 2.253 100 G HA2 -0.333 3.629 3.960 0.003 0.000 0.251 100 G HA3 -0.333 3.629 3.960 0.003 0.000 0.251 100 G C 0.239 175.156 174.900 0.028 0.000 0.998 100 G CA 0.025 45.144 45.100 0.031 0.000 0.621 100 G HN 0.901 nan 8.290 nan 0.000 0.524 101 A N 0.580 123.419 122.820 0.031 0.000 2.448 101 A HA 0.730 5.051 4.320 0.003 0.000 0.239 101 A C 1.196 178.792 177.584 0.021 0.000 1.080 101 A CA 1.088 53.139 52.037 0.023 0.000 0.779 101 A CB 0.098 19.112 19.000 0.023 0.000 1.026 101 A HN 2.177 nan 8.150 nan 0.000 0.499 102 A N 0.872 123.698 122.820 0.011 0.000 2.520 102 A HA 0.277 4.598 4.320 0.003 0.000 0.245 102 A C 0.748 178.318 177.584 -0.024 0.000 1.072 102 A CA 0.171 52.208 52.037 0.000 0.000 0.761 102 A CB -0.110 18.890 19.000 -0.001 0.000 1.004 102 A HN 0.803 nan 8.150 nan 0.000 0.499 103 D N 2.349 122.721 120.400 -0.046 0.000 2.117 103 D HA -0.078 4.563 4.640 0.003 0.000 0.197 103 D C 1.396 177.485 176.300 -0.351 0.000 0.987 103 D CA 2.077 55.979 54.000 -0.163 0.000 0.829 103 D CB -0.091 40.611 40.800 -0.163 0.000 0.961 103 D HN 0.655 nan 8.370 nan 0.000 0.460 104 A N 1.235 123.916 122.820 -0.232 0.000 3.202 104 A HA 0.159 4.481 4.320 0.003 0.000 0.258 104 A C 0.215 177.762 177.584 -0.063 0.000 1.572 104 A CA -0.167 51.761 52.037 -0.183 0.000 1.241 104 A CB -0.339 18.672 19.000 0.019 0.000 1.127 104 A HN 0.013 nan 8.150 nan 0.000 0.648 105 E N 0.141 120.304 120.200 -0.062 0.000 2.250 105 E HA 0.291 4.643 4.350 0.003 0.000 0.265 105 E C -0.016 176.604 176.600 0.033 0.000 1.033 105 E CA -0.935 55.466 56.400 0.001 0.000 0.888 105 E CB 1.375 31.080 29.700 0.009 0.000 1.151 105 E HN 0.509 nan 8.360 nan 0.000 0.412 106 R N 2.068 122.608 120.500 0.066 0.000 2.288 106 R HA 0.074 4.416 4.340 0.003 0.000 0.330 106 R C -1.076 175.297 176.300 0.122 0.000 1.069 106 R CA 0.468 56.630 56.100 0.102 0.000 0.941 106 R CB 0.178 30.553 30.300 0.124 0.000 0.998 106 R HN 0.396 nan 8.270 nan 0.000 0.452 107 D N 3.290 123.770 120.400 0.134 0.000 2.742 107 D HA 0.167 4.809 4.640 0.003 0.000 0.262 107 D C -0.511 175.890 176.300 0.167 0.000 1.240 107 D CA -0.587 53.506 54.000 0.154 0.000 0.752 107 D CB 1.103 41.967 40.800 0.106 0.000 1.290 107 D HN 0.407 nan 8.370 nan 0.000 0.420 108 I N 1.465 122.152 120.570 0.196 0.000 2.892 108 I HA 0.073 4.245 4.170 0.003 0.000 0.287 108 I C 0.691 176.938 176.117 0.216 0.000 1.205 108 I CA 0.129 61.553 61.300 0.206 0.000 1.409 108 I CB 0.329 38.485 38.000 0.260 0.000 1.367 108 I HN 0.030 nan 8.210 nan 0.000 0.597 109 R N 3.792 124.454 120.500 0.270 0.000 2.445 109 R HA 0.407 4.748 4.340 0.003 0.000 0.308 109 R C -0.161 176.358 176.300 0.365 0.000 0.961 109 R CA -0.790 55.500 56.100 0.317 0.000 0.862 109 R CB 1.419 31.940 30.300 0.369 0.000 1.144 109 R HN 0.784 nan 8.270 nan 0.000 0.447 110 G N 1.149 110.185 108.800 0.395 0.000 2.483 110 G HA2 0.281 4.243 3.960 0.003 0.000 0.248 110 G HA3 0.281 4.243 3.960 0.003 0.000 0.248 110 G C -0.949 174.043 174.900 0.153 0.000 1.248 110 G CA -0.060 45.209 45.100 0.281 0.000 0.838 110 G HN 0.455 nan 8.290 nan 0.000 0.566 111 F N 1.858 121.723 119.950 -0.142 0.000 2.872 111 F HA 0.464 4.993 4.527 0.002 0.000 0.365 111 F C 0.071 175.522 175.800 -0.581 0.000 1.296 111 F CA -0.913 56.951 58.000 -0.228 0.000 1.199 111 F CB 1.303 40.265 39.000 -0.064 0.000 1.687 111 F HN 0.409 nan 8.300 nan 0.000 0.604 112 S N 5.283 120.463 115.700 -0.868 0.000 2.456 112 S HA 0.805 5.276 4.470 0.003 0.000 0.316 112 S C -0.898 172.855 174.600 -1.411 0.000 1.089 112 S CA -0.418 57.077 58.200 -1.174 0.000 1.101 112 S CB 0.529 62.785 63.200 -1.573 0.000 0.995 112 S HN 0.497 nan 8.310 nan 0.000 0.468 113 L N 4.492 125.067 121.223 -1.080 0.000 2.365 113 L HA 0.621 4.962 4.340 0.003 0.000 0.273 113 L C -0.216 176.238 176.870 -0.693 0.000 1.000 113 L CA -0.764 53.446 54.840 -1.049 0.000 0.819 113 L CB 1.923 43.193 42.059 -1.315 0.000 1.284 113 L HN 0.473 nan 8.230 nan 0.000 0.418 114 K N 2.973 123.006 120.400 -0.611 0.000 2.394 114 K HA 0.538 4.859 4.320 0.003 0.000 0.260 114 K C -1.621 174.428 176.600 -0.919 0.000 0.967 114 K CA -0.446 55.477 56.287 -0.605 0.000 0.855 114 K CB 0.949 33.127 32.500 -0.536 0.000 1.101 114 K HN 0.327 nan 8.250 nan 0.000 0.433 115 F N 3.951 123.590 119.950 -0.518 0.000 2.411 115 F HA 0.279 4.808 4.527 0.002 0.000 0.352 115 F C -0.389 175.269 175.800 -0.237 0.000 1.123 115 F CA -0.786 57.015 58.000 -0.332 0.000 1.044 115 F CB 0.806 39.690 39.000 -0.194 0.000 1.135 115 F HN 0.433 nan 8.300 nan 0.000 0.461 116 Y N 1.817 122.196 120.300 0.131 0.000 2.636 116 Y HA 0.188 4.739 4.550 0.002 0.000 0.334 116 Y C 1.148 177.104 175.900 0.094 0.000 1.286 116 Y CA -0.896 57.253 58.100 0.082 0.000 1.688 116 Y CB -0.632 37.855 38.460 0.045 0.000 1.662 116 Y HN 0.560 nan 8.280 nan 0.000 0.465 117 T N -2.624 112.046 114.554 0.193 0.000 2.788 117 T HA 0.075 4.427 4.350 0.003 0.000 0.280 117 T C 1.223 175.973 174.700 0.083 0.000 0.984 117 T CA -0.448 61.721 62.100 0.115 0.000 0.972 117 T CB 1.068 69.956 68.868 0.033 0.000 1.039 117 T HN 0.710 nan 8.240 nan 0.000 0.530 118 E N -0.401 119.828 120.200 0.048 0.000 2.427 118 E HA -0.031 4.321 4.350 0.003 0.000 0.196 118 E C 0.804 177.411 176.600 0.012 0.000 1.028 118 E CA 0.604 57.026 56.400 0.036 0.000 0.864 118 E CB -0.027 29.694 29.700 0.035 0.000 0.813 118 E HN 0.836 nan 8.360 nan 0.000 0.514 119 E N 0.745 120.938 120.200 -0.011 0.000 2.736 119 E HA 0.319 4.671 4.350 0.003 0.000 0.208 119 E C -0.210 176.356 176.600 -0.056 0.000 0.996 119 E CA -0.045 56.319 56.400 -0.061 0.000 1.104 119 E CB 1.250 30.898 29.700 -0.087 0.000 1.111 119 E HN 0.361 nan 8.360 nan 0.000 0.455 120 G N 1.315 110.116 108.800 0.001 0.000 2.459 120 G HA2 -0.170 3.792 3.960 0.003 0.000 0.685 120 G HA3 -0.170 3.792 3.960 0.003 0.000 0.685 120 G C -1.058 173.886 174.900 0.073 0.000 1.303 120 G CA -1.153 43.965 45.100 0.030 0.000 0.907 120 G HN 0.218 nan 8.290 nan 0.000 0.632 121 N N 0.068 118.814 118.700 0.076 0.000 2.438 121 N HA 0.261 5.002 4.740 0.003 0.000 0.267 121 N C -0.437 175.142 175.510 0.116 0.000 1.222 121 N CA -0.022 53.058 53.050 0.050 0.000 0.930 121 N CB 0.696 39.168 38.487 -0.026 0.000 1.083 121 N HN 0.557 nan 8.380 nan 0.000 0.476 122 W N 4.801 126.064 121.300 -0.062 0.000 2.308 122 W HA 0.244 4.905 4.660 0.002 0.000 0.311 122 W C -1.015 175.492 176.519 -0.019 0.000 1.088 122 W CA -1.061 56.252 57.345 -0.052 0.000 1.309 122 W CB 0.187 29.579 29.460 -0.113 0.000 1.229 122 W HN 0.396 nan 8.180 nan 0.000 0.427 123 D N 6.068 126.436 120.400 -0.054 0.000 2.274 123 D HA 0.188 4.829 4.640 0.003 0.000 0.239 123 D C -0.964 175.105 176.300 -0.385 0.000 1.104 123 D CA -0.295 53.579 54.000 -0.210 0.000 0.840 123 D CB 1.818 42.594 40.800 -0.041 0.000 1.100 123 D HN 0.369 nan 8.370 nan 0.000 0.477 124 L N 2.487 123.342 121.223 -0.613 0.000 2.337 124 L HA 0.455 4.797 4.340 0.003 0.000 0.269 124 L C -0.338 176.271 176.870 -0.435 0.000 1.018 124 L CA -0.745 53.765 54.840 -0.550 0.000 0.876 124 L CB 1.075 42.653 42.059 -0.802 0.000 1.236 124 L HN 0.352 nan 8.230 nan 0.000 0.436 125 A N 4.219 126.848 122.820 -0.320 0.000 2.915 125 A HA 0.625 4.947 4.320 0.003 0.000 0.292 125 A C 0.728 178.192 177.584 -0.200 0.000 1.632 125 A CA 0.236 52.056 52.037 -0.362 0.000 1.337 125 A CB -1.015 17.775 19.000 -0.351 0.000 1.111 125 A HN 0.768 nan 8.150 nan 0.000 0.569 126 G N 0.875 109.571 108.800 -0.173 0.000 2.537 126 G HA2 0.502 4.464 3.960 0.003 0.000 0.297 126 G HA3 0.502 4.464 3.960 0.003 0.000 0.297 126 G C -0.287 174.649 174.900 0.060 0.000 1.310 126 G CA -0.536 44.563 45.100 -0.000 0.000 1.027 126 G HN 0.562 nan 8.290 nan 0.000 0.505 127 N N -1.086 117.708 118.700 0.158 0.000 2.629 127 N HA 0.189 4.930 4.740 0.003 0.000 0.279 127 N C 0.397 176.106 175.510 0.331 0.000 1.344 127 N CA -0.738 52.462 53.050 0.249 0.000 0.789 127 N CB 1.517 40.137 38.487 0.222 0.000 1.508 127 N HN 0.508 nan 8.380 nan 0.000 0.516 128 N N -1.107 117.816 118.700 0.372 0.000 2.434 128 N HA -0.029 4.713 4.740 0.003 0.000 0.196 128 N C -0.318 175.489 175.510 0.494 0.000 1.183 128 N CA 0.152 53.461 53.050 0.431 0.000 0.849 128 N CB 0.031 38.753 38.487 0.392 0.000 0.992 128 N HN 0.410 nan 8.380 nan 0.000 0.460 129 T N -0.181 114.553 114.554 0.301 0.000 2.900 129 T HA 0.386 4.738 4.350 0.003 0.000 0.295 129 T C -2.411 171.956 174.700 -0.555 0.000 1.044 129 T CA -1.837 60.160 62.100 -0.171 0.000 0.995 129 T CB 2.276 71.055 68.868 -0.149 0.000 1.072 129 T HN -0.188 nan 8.240 nan 0.000 0.473 130 P HA 0.121 nan 4.420 nan 0.000 0.236 130 P C 0.540 177.554 177.300 -0.477 0.000 1.177 130 P CA 0.389 62.960 63.100 -0.882 0.000 0.773 130 P CB -0.061 31.083 31.700 -0.926 0.000 0.878 131 V N -4.640 115.004 119.914 -0.450 0.000 3.164 131 V HA 0.771 4.893 4.120 0.003 0.000 0.313 131 V C -0.740 175.235 176.094 -0.199 0.000 1.188 131 V CA -1.156 60.927 62.300 -0.361 0.000 1.058 131 V CB 1.945 33.429 31.823 -0.564 0.000 1.110 131 V HN -0.106 nan 8.190 nan 0.000 0.453 132 F N -1.319 118.412 119.950 -0.365 0.000 2.715 132 F HA 0.653 5.182 4.527 0.003 0.000 0.318 132 F C 0.350 175.969 175.800 -0.302 0.000 1.141 132 F CA -1.411 56.380 58.000 -0.348 0.000 0.950 132 F CB 1.726 40.648 39.000 -0.130 0.000 1.374 132 F HN 0.447 nan 8.300 nan 0.000 0.477 133 F N 1.348 120.883 119.950 -0.692 0.000 2.325 133 F HA 0.105 4.634 4.527 0.003 0.000 0.299 133 F C 0.369 176.064 175.800 -0.175 0.000 1.090 133 F CA 0.760 58.475 58.000 -0.475 0.000 1.392 133 F CB -0.161 38.492 39.000 -0.578 0.000 1.053 133 F HN -0.077 nan 8.300 nan 0.000 0.521 134 L N -0.800 120.559 121.223 0.225 0.000 2.333 134 L HA 0.477 4.819 4.340 0.003 0.000 0.269 134 L C 0.812 177.775 176.870 0.155 0.000 1.010 134 L CA -0.825 54.154 54.840 0.232 0.000 0.818 134 L CB 2.079 44.378 42.059 0.401 0.000 1.306 134 L HN -0.213 nan 8.230 nan 0.000 0.430 135 R N -0.599 119.890 120.500 -0.018 0.000 2.254 135 R HA 0.149 4.491 4.340 0.003 0.000 0.193 135 R C -0.270 175.999 176.300 -0.052 0.000 0.929 135 R CA 0.220 56.250 56.100 -0.117 0.000 1.038 135 R CB 0.492 30.517 30.300 -0.458 0.000 1.009 135 R HN 0.575 nan 8.270 nan 0.000 0.512 136 D N -0.014 120.396 120.400 0.016 0.000 2.649 136 D HA 0.152 4.794 4.640 0.003 0.000 0.249 136 D C -2.051 174.362 176.300 0.189 0.000 1.112 136 D CA -2.107 51.960 54.000 0.112 0.000 0.850 136 D CB 2.608 43.509 40.800 0.167 0.000 1.399 136 D HN -0.185 nan 8.370 nan 0.000 0.503 137 P HA -0.007 nan 4.420 nan 0.000 0.229 137 P C 1.834 179.268 177.300 0.222 0.000 1.160 137 P CA 0.229 63.448 63.100 0.198 0.000 0.777 137 P CB 0.649 32.419 31.700 0.117 0.000 0.814 138 L N -0.347 120.990 121.223 0.191 0.000 2.187 138 L HA -0.145 4.196 4.340 0.003 0.000 0.213 138 L C 2.254 179.244 176.870 0.200 0.000 1.100 138 L CA 1.371 56.316 54.840 0.176 0.000 0.765 138 L CB -0.593 41.560 42.059 0.158 0.000 0.904 138 L HN -0.094 nan 8.230 nan 0.000 0.437 139 K N -0.972 119.582 120.400 0.257 0.000 2.487 139 K HA -0.050 4.271 4.320 0.003 0.000 0.192 139 K C 1.731 178.506 176.600 0.291 0.000 1.027 139 K CA 0.535 57.004 56.287 0.304 0.000 1.054 139 K CB -0.167 32.556 32.500 0.372 0.000 0.824 139 K HN 0.193 nan 8.250 nan 0.000 0.510 140 F N 2.694 122.737 119.950 0.154 0.000 2.113 140 F HA -0.057 4.472 4.527 0.003 0.000 0.297 140 F C -0.964 174.820 175.800 -0.027 0.000 1.103 140 F CA 0.799 58.879 58.000 0.134 0.000 1.248 140 F CB -0.727 38.358 39.000 0.142 0.000 0.999 140 F HN 0.021 nan 8.300 nan 0.000 0.475 141 P HA -0.142 nan 4.420 nan 0.000 0.218 141 P C 1.042 177.940 177.300 -0.671 0.000 1.148 141 P CA 1.742 64.630 63.100 -0.355 0.000 0.822 141 P CB -0.079 31.483 31.700 -0.231 0.000 0.784 142 D N -0.768 119.371 120.400 -0.435 0.000 2.117 142 D HA -0.116 4.526 4.640 0.003 0.000 0.198 142 D C 1.922 177.603 176.300 -1.031 0.000 0.982 142 D CA 0.874 54.531 54.000 -0.573 0.000 0.828 142 D CB -0.517 40.110 40.800 -0.289 0.000 0.967 142 D HN 0.081 nan 8.370 nan 0.000 0.464 143 L N 2.069 122.793 121.223 -0.833 0.000 1.989 143 L HA -0.181 4.161 4.340 0.003 0.000 0.211 143 L C 1.873 178.375 176.870 -0.613 0.000 1.071 143 L CA 1.673 56.089 54.840 -0.706 0.000 0.749 143 L CB -0.921 40.997 42.059 -0.235 0.000 0.890 143 L HN -0.047 nan 8.230 nan 0.000 0.431 144 N N -0.410 117.920 118.700 -0.616 0.000 2.036 144 N HA -0.303 4.439 4.740 0.003 0.000 0.195 144 N C 1.940 177.298 175.510 -0.252 0.000 1.037 144 N CA 2.482 55.284 53.050 -0.414 0.000 0.855 144 N CB -0.417 37.840 38.487 -0.382 0.000 1.033 144 N HN 0.706 nan 8.380 nan 0.000 0.423 145 H N -0.556 118.301 119.070 -0.355 0.000 2.457 145 H HA 0.033 4.591 4.556 0.003 0.000 0.294 145 H C 1.882 176.996 175.328 -0.356 0.000 1.064 145 H CA 0.769 56.636 56.048 -0.302 0.000 1.330 145 H CB 0.164 29.770 29.762 -0.260 0.000 1.395 145 H HN 0.430 nan 8.280 nan 0.000 0.541 146 A N 0.769 123.344 122.820 -0.408 0.000 1.975 146 A HA -0.046 4.276 4.320 0.003 0.000 0.215 146 A C 2.390 179.718 177.584 -0.427 0.000 1.170 146 A CA 1.133 52.894 52.037 -0.460 0.000 0.656 146 A CB -0.324 18.260 19.000 -0.694 0.000 0.821 146 A HN 0.318 nan 8.150 nan 0.000 0.449 147 V N -3.039 116.630 119.914 -0.408 0.000 3.471 147 V HA 0.219 4.341 4.120 0.003 0.000 0.258 147 V C 0.884 176.841 176.094 -0.228 0.000 1.192 147 V CA 0.548 62.627 62.300 -0.369 0.000 1.116 147 V CB -0.462 31.159 31.823 -0.336 0.000 0.792 147 V HN 0.327 nan 8.190 nan 0.000 0.459 148 K N 0.487 120.780 120.400 -0.178 0.000 2.727 148 K HA 0.499 4.821 4.320 0.003 0.000 0.299 148 K C -0.089 176.447 176.600 -0.107 0.000 0.996 148 K CA -0.997 55.222 56.287 -0.113 0.000 1.212 148 K CB 0.385 32.841 32.500 -0.073 0.000 1.529 148 K HN 0.167 nan 8.250 nan 0.000 0.646 149 R N 1.592 122.043 120.500 -0.081 0.000 2.438 149 R HA 0.030 4.372 4.340 0.003 0.000 0.287 149 R C -0.636 175.609 176.300 -0.093 0.000 1.077 149 R CA -0.129 55.925 56.100 -0.077 0.000 1.034 149 R CB 0.417 30.683 30.300 -0.057 0.000 0.993 149 R HN 0.506 nan 8.270 nan 0.000 0.459 150 D N 3.174 123.523 120.400 -0.086 0.000 2.455 150 D HA 0.002 4.644 4.640 0.003 0.000 0.241 150 D C -1.419 174.829 176.300 -0.087 0.000 1.138 150 D CA -1.311 52.636 54.000 -0.089 0.000 0.877 150 D CB 1.028 41.786 40.800 -0.070 0.000 1.187 150 D HN 0.194 nan 8.370 nan 0.000 0.451 151 P HA -0.186 nan 4.420 nan 0.000 0.217 151 P C 1.024 178.282 177.300 -0.070 0.000 1.151 151 P CA 1.168 64.208 63.100 -0.100 0.000 0.849 151 P CB 0.161 31.794 31.700 -0.111 0.000 0.787 152 R N -0.870 119.595 120.500 -0.059 0.000 2.074 152 R HA -0.020 4.322 4.340 0.003 0.000 0.218 152 R C 2.132 178.409 176.300 -0.038 0.000 1.137 152 R CA 1.794 57.867 56.100 -0.044 0.000 0.998 152 R CB -0.673 29.604 30.300 -0.038 0.000 0.895 152 R HN 0.185 nan 8.270 nan 0.000 0.442 153 T N -1.706 112.825 114.554 -0.039 0.000 3.055 153 T HA -0.052 4.300 4.350 0.003 0.000 0.265 153 T C 0.753 175.433 174.700 -0.032 0.000 1.111 153 T CA 0.866 62.947 62.100 -0.032 0.000 1.118 153 T CB -0.275 68.575 68.868 -0.030 0.000 0.909 153 T HN 0.435 nan 8.240 nan 0.000 0.501 154 N N 0.315 118.991 118.700 -0.040 0.000 2.708 154 N HA -0.155 4.587 4.740 0.003 0.000 0.249 154 N C -0.654 174.835 175.510 -0.034 0.000 1.097 154 N CA 0.917 53.944 53.050 -0.038 0.000 0.710 154 N CB -1.608 36.861 38.487 -0.030 0.000 1.032 154 N HN 0.714 nan 8.380 nan 0.000 0.551 155 M N -0.287 119.290 119.600 -0.038 0.000 2.619 155 M HA 0.389 4.870 4.480 0.003 0.000 0.297 155 M C 0.215 176.486 176.300 -0.048 0.000 1.229 155 M CA -0.806 54.473 55.300 -0.035 0.000 0.860 155 M CB 2.059 34.644 32.600 -0.025 0.000 1.741 155 M HN -0.092 nan 8.290 nan 0.000 0.462 156 R N 0.756 121.226 120.500 -0.050 0.000 2.679 156 R HA 0.230 4.572 4.340 0.003 0.000 0.268 156 R C -0.219 176.044 176.300 -0.062 0.000 1.044 156 R CA 0.085 56.143 56.100 -0.070 0.000 1.105 156 R CB 0.554 30.811 30.300 -0.072 0.000 0.989 156 R HN 0.583 nan 8.270 nan 0.000 0.447 157 S N 0.850 116.500 115.700 -0.084 0.000 2.596 157 S HA 0.374 4.846 4.470 0.003 0.000 0.318 157 S C 0.712 175.277 174.600 -0.059 0.000 1.097 157 S CA -0.374 57.790 58.200 -0.060 0.000 1.080 157 S CB 1.690 64.850 63.200 -0.066 0.000 0.991 157 S HN 0.675 nan 8.310 nan 0.000 0.471 158 A N 5.689 128.514 122.820 0.009 0.000 1.933 158 A HA -0.031 4.291 4.320 0.003 0.000 0.218 158 A C 2.194 179.867 177.584 0.149 0.000 1.175 158 A CA 1.272 53.377 52.037 0.113 0.000 0.628 158 A CB -0.552 18.549 19.000 0.169 0.000 0.814 158 A HN 0.774 nan 8.150 nan 0.000 0.444 159 K N 0.604 121.049 120.400 0.075 0.000 2.009 159 K HA -0.207 4.115 4.320 0.003 0.000 0.210 159 K C 1.679 178.298 176.600 0.031 0.000 1.049 159 K CA 2.161 58.489 56.287 0.068 0.000 0.929 159 K CB -0.696 31.824 32.500 0.033 0.000 0.714 159 K HN 0.695 nan 8.250 nan 0.000 0.440 160 N N 0.748 119.425 118.700 -0.038 0.000 2.069 160 N HA -0.185 4.557 4.740 0.003 0.000 0.191 160 N C 1.829 177.236 175.510 -0.172 0.000 1.031 160 N CA 1.122 54.118 53.050 -0.089 0.000 0.852 160 N CB -0.240 38.169 38.487 -0.129 0.000 1.018 160 N HN 0.262 nan 8.380 nan 0.000 0.423 161 N N 0.394 118.908 118.700 -0.310 0.000 2.069 161 N HA -0.154 4.588 4.740 0.003 0.000 0.191 161 N C 1.283 176.313 175.510 -0.800 0.000 1.031 161 N CA 1.377 53.994 53.050 -0.722 0.000 0.852 161 N CB -0.217 37.735 38.487 -0.892 0.000 1.018 161 N HN 0.348 nan 8.380 nan 0.000 0.423 162 W N 0.870 121.994 121.300 -0.294 0.000 2.476 162 W HA 0.029 4.691 4.660 0.003 0.000 0.281 162 W C 2.209 178.735 176.519 0.012 0.000 1.230 162 W CA 0.311 57.599 57.345 -0.096 0.000 1.287 162 W CB -0.446 28.989 29.460 -0.042 0.000 1.108 162 W HN 0.108 nan 8.180 nan 0.000 0.567 163 D N 0.128 120.643 120.400 0.192 0.000 2.116 163 D HA -0.284 4.358 4.640 0.003 0.000 0.193 163 D C 1.869 178.269 176.300 0.166 0.000 0.998 163 D CA 1.512 55.606 54.000 0.157 0.000 0.836 163 D CB -0.547 40.316 40.800 0.104 0.000 0.951 163 D HN 0.083 nan 8.370 nan 0.000 0.449 164 F N -0.240 119.680 119.950 -0.050 0.000 2.113 164 F HA -0.091 4.438 4.527 0.003 0.000 0.297 164 F C 1.896 177.743 175.800 0.078 0.000 1.103 164 F CA 1.321 59.292 58.000 -0.048 0.000 1.248 164 F CB -0.496 38.396 39.000 -0.180 0.000 0.999 164 F HN 0.032 nan 8.300 nan 0.000 0.475 165 W N 1.137 122.328 121.300 -0.181 0.000 2.358 165 W HA -0.160 4.502 4.660 0.003 0.000 0.303 165 W C 2.916 179.385 176.519 -0.084 0.000 1.208 165 W CA 2.504 59.681 57.345 -0.280 0.000 1.274 165 W CB -1.835 27.404 29.460 -0.369 0.000 1.138 165 W HN 0.181 nan 8.180 nan 0.000 0.515 166 T N -3.504 111.251 114.554 0.336 0.000 3.007 166 T HA -0.064 4.288 4.350 0.003 0.000 0.270 166 T C 1.653 176.509 174.700 0.260 0.000 1.107 166 T CA 1.455 63.785 62.100 0.382 0.000 1.118 166 T CB -0.448 68.644 68.868 0.374 0.000 0.889 166 T HN -0.084 nan 8.240 nan 0.000 0.506 167 S N 0.779 116.533 115.700 0.091 0.000 2.528 167 S HA 0.357 4.828 4.470 0.003 0.000 0.219 167 S C 0.488 175.035 174.600 -0.089 0.000 0.985 167 S CA 0.013 58.224 58.200 0.018 0.000 0.914 167 S CB -0.184 63.014 63.200 -0.003 0.000 0.776 167 S HN 0.492 nan 8.310 nan 0.000 0.526 168 L N 2.499 123.619 121.223 -0.173 0.000 2.433 168 L HA 0.304 4.645 4.340 0.003 0.000 0.256 168 L C -1.948 174.723 176.870 -0.332 0.000 1.063 168 L CA -1.786 52.898 54.840 -0.260 0.000 0.922 168 L CB 1.610 43.468 42.059 -0.335 0.000 1.238 168 L HN -0.087 nan 8.230 nan 0.000 0.466 169 P HA -0.218 nan 4.420 nan 0.000 0.219 169 P C 1.124 178.047 177.300 -0.628 0.000 1.146 169 P CA 1.196 63.797 63.100 -0.830 0.000 0.808 169 P CB 0.212 31.232 31.700 -1.133 0.000 0.779 170 E N 0.754 120.633 120.200 -0.535 0.000 2.265 170 E HA -0.146 4.206 4.350 0.003 0.000 0.196 170 E C 1.741 178.285 176.600 -0.093 0.000 0.996 170 E CA 1.382 57.702 56.400 -0.134 0.000 0.832 170 E CB -1.096 28.625 29.700 0.034 0.000 0.756 170 E HN 0.193 nan 8.360 nan 0.000 0.491 171 A N 1.248 123.982 122.820 -0.143 0.000 2.168 171 A HA 0.015 4.337 4.320 0.003 0.000 0.215 171 A C 2.126 179.658 177.584 -0.086 0.000 1.152 171 A CA 0.640 52.613 52.037 -0.106 0.000 0.716 171 A CB -0.548 18.343 19.000 -0.181 0.000 0.794 171 A HN 0.265 nan 8.150 nan 0.000 0.465 172 L N -0.531 120.674 121.223 -0.031 0.000 2.079 172 L HA -0.222 4.120 4.340 0.003 0.000 0.210 172 L C 2.175 179.134 176.870 0.147 0.000 1.081 172 L CA 2.639 57.539 54.840 0.101 0.000 0.752 172 L CB -0.868 41.289 42.059 0.163 0.000 0.896 172 L HN 0.659 nan 8.230 nan 0.000 0.433 173 H N -1.750 117.311 119.070 -0.015 0.000 2.290 173 H HA -0.243 4.314 4.556 0.003 0.000 0.298 173 H C 2.172 177.426 175.328 -0.124 0.000 1.087 173 H CA 1.532 57.558 56.048 -0.036 0.000 1.291 173 H CB 0.307 30.029 29.762 -0.067 0.000 1.369 173 H HN 0.377 nan 8.280 nan 0.000 0.492 174 Q N 0.342 120.029 119.800 -0.188 0.000 2.187 174 Q HA -0.059 4.282 4.340 0.003 0.000 0.199 174 Q C 2.323 178.098 176.000 -0.375 0.000 0.957 174 Q CA 1.106 56.611 55.803 -0.497 0.000 0.857 174 Q CB -0.140 27.935 28.738 -1.106 0.000 0.929 174 Q HN 0.353 nan 8.270 nan 0.000 0.453 175 V N 0.192 119.958 119.914 -0.245 0.000 2.332 175 V HA -0.304 3.817 4.120 0.003 0.000 0.248 175 V C 2.083 178.214 176.094 0.062 0.000 1.055 175 V CA 2.242 64.408 62.300 -0.224 0.000 1.038 175 V CB -1.033 30.620 31.823 -0.284 0.000 0.651 175 V HN 0.436 nan 8.190 nan 0.000 0.450 176 T N 0.153 114.809 114.554 0.169 0.000 2.746 176 T HA -0.123 4.229 4.350 0.003 0.000 0.267 176 T C 1.822 176.601 174.700 0.132 0.000 1.039 176 T CA 1.783 64.033 62.100 0.250 0.000 1.142 176 T CB -0.282 68.756 68.868 0.283 0.000 0.866 176 T HN 0.357 nan 8.240 nan 0.000 0.444 177 I N 0.430 121.033 120.570 0.056 0.000 2.226 177 I HA -0.112 4.059 4.170 0.003 0.000 0.245 177 I C 2.503 178.640 176.117 0.034 0.000 1.100 177 I CA 0.815 62.124 61.300 0.014 0.000 1.374 177 I CB -0.279 37.677 38.000 -0.073 0.000 1.057 177 I HN 0.084 nan 8.210 nan 0.000 0.413 178 V N 0.582 120.512 119.914 0.026 0.000 2.548 178 V HA -0.177 3.945 4.120 0.003 0.000 0.249 178 V C 2.196 178.381 176.094 0.151 0.000 1.055 178 V CA 1.370 63.725 62.300 0.092 0.000 1.065 178 V CB -0.039 31.861 31.823 0.129 0.000 0.681 178 V HN 0.316 nan 8.190 nan 0.000 0.462 179 M N 0.216 119.923 119.600 0.178 0.000 2.558 179 M HA 0.122 4.604 4.480 0.003 0.000 0.255 179 M C 1.383 177.780 176.300 0.163 0.000 1.113 179 M CA 0.703 56.140 55.300 0.228 0.000 1.097 179 M CB -0.947 31.855 32.600 0.337 0.000 1.426 179 M HN 0.610 nan 8.290 nan 0.000 0.488 180 S N 1.213 116.981 115.700 0.113 0.000 2.640 180 S HA 0.046 4.517 4.470 0.003 0.000 0.262 180 S C 1.080 175.715 174.600 0.057 0.000 1.232 180 S CA 0.009 58.245 58.200 0.060 0.000 0.988 180 S CB 0.574 63.794 63.200 0.032 0.000 1.034 180 S HN 0.406 nan 8.310 nan 0.000 0.569 181 D N 0.133 120.550 120.400 0.028 0.000 2.263 181 D HA -0.168 4.473 4.640 0.003 0.000 0.208 181 D C 1.448 177.777 176.300 0.047 0.000 0.971 181 D CA 0.941 54.959 54.000 0.030 0.000 0.867 181 D CB -0.410 40.393 40.800 0.006 0.000 0.929 181 D HN 0.593 nan 8.370 nan 0.000 0.492 182 R N 0.184 120.717 120.500 0.055 0.000 2.323 182 R HA 0.157 4.498 4.340 0.003 0.000 0.198 182 R C 2.129 178.487 176.300 0.096 0.000 0.988 182 R CA 0.572 56.717 56.100 0.075 0.000 1.041 182 R CB -0.203 30.145 30.300 0.080 0.000 0.926 182 R HN 0.310 nan 8.270 nan 0.000 0.476 183 G N 1.285 110.142 108.800 0.095 0.000 2.471 183 G HA2 -0.100 3.862 3.960 0.003 0.000 0.219 183 G HA3 -0.100 3.862 3.960 0.003 0.000 0.219 183 G C 0.823 175.791 174.900 0.114 0.000 1.125 183 G CA 0.345 45.513 45.100 0.112 0.000 0.775 183 G HN 0.191 nan 8.290 nan 0.000 0.548 184 I N 1.352 121.983 120.570 0.103 0.000 2.623 184 I HA 0.250 4.422 4.170 0.003 0.000 0.275 184 I C -2.662 173.527 176.117 0.121 0.000 1.108 184 I CA -2.089 59.272 61.300 0.103 0.000 1.120 184 I CB 2.426 40.476 38.000 0.083 0.000 1.249 184 I HN -0.187 nan 8.210 nan 0.000 0.500 185 P HA 0.030 nan 4.420 nan 0.000 0.266 185 P C 0.751 178.167 177.300 0.193 0.000 1.195 185 P CA 0.144 63.347 63.100 0.172 0.000 0.768 185 P CB 1.122 32.958 31.700 0.226 0.000 0.838 186 A N 2.541 125.403 122.820 0.070 0.000 1.969 186 A HA 0.040 4.361 4.320 0.003 0.000 0.218 186 A C 1.018 178.444 177.584 -0.263 0.000 1.169 186 A CA 2.160 54.172 52.037 -0.042 0.000 0.635 186 A CB -0.853 18.069 19.000 -0.129 0.000 0.810 186 A HN 0.654 nan 8.150 nan 0.000 0.445 187 T N -6.835 107.619 114.554 -0.166 0.000 2.762 187 T HA 0.471 4.822 4.350 0.003 0.000 0.301 187 T C 0.221 174.892 174.700 -0.049 0.000 1.299 187 T CA -0.416 61.458 62.100 -0.378 0.000 1.005 187 T CB 0.215 69.013 68.868 -0.118 0.000 1.377 187 T HN 0.026 nan 8.240 nan 0.000 0.504 188 Y N 0.580 120.861 120.300 -0.031 0.000 2.421 188 Y HA 0.188 4.739 4.550 0.003 0.000 0.292 188 Y C 2.678 178.461 175.900 -0.195 0.000 1.136 188 Y CA 0.502 58.477 58.100 -0.208 0.000 1.255 188 Y CB -0.512 37.674 38.460 -0.457 0.000 0.991 188 Y HN 0.524 nan 8.280 nan 0.000 0.552 189 R N -0.922 119.581 120.500 0.005 0.000 2.240 189 R HA -0.000 4.341 4.340 0.003 0.000 0.203 189 R C 0.202 176.247 176.300 -0.424 0.000 1.011 189 R CA 0.673 56.649 56.100 -0.206 0.000 1.007 189 R CB -0.081 29.982 30.300 -0.395 0.000 0.911 189 R HN 0.406 nan 8.270 nan 0.000 0.468 190 H N 0.462 119.536 119.070 0.006 0.000 2.490 190 H HA 0.239 4.797 4.556 0.003 0.000 0.285 190 H C 0.090 175.426 175.328 0.013 0.000 1.127 190 H CA -0.035 55.993 56.048 -0.034 0.000 0.993 190 H CB 0.105 29.832 29.762 -0.059 0.000 1.653 190 H HN 0.173 nan 8.280 nan 0.000 0.557 191 M N -1.349 118.372 119.600 0.202 0.000 2.593 191 M HA 0.455 4.936 4.480 0.003 0.000 0.290 191 M C -1.277 175.254 176.300 0.386 0.000 1.244 191 M CA -1.023 54.401 55.300 0.207 0.000 0.857 191 M CB 2.802 35.583 32.600 0.300 0.000 1.738 191 M HN -0.158 nan 8.290 nan 0.000 0.461 192 H N 0.200 119.472 119.070 0.337 0.000 2.509 192 H HA 0.757 5.315 4.556 0.003 0.000 0.359 192 H C -0.142 175.019 175.328 -0.279 0.000 1.253 192 H CA -0.165 55.960 56.048 0.128 0.000 1.373 192 H CB 1.544 31.277 29.762 -0.048 0.000 1.555 192 H HN 0.937 nan 8.280 nan 0.000 0.586 193 G N -0.067 108.205 108.800 -0.880 0.000 2.481 193 G HA2 0.565 4.527 3.960 0.003 0.000 0.315 193 G HA3 0.565 4.527 3.960 0.003 0.000 0.315 193 G C -1.590 172.666 174.900 -1.072 0.000 1.231 193 G CA -0.477 43.640 45.100 -1.639 0.000 0.968 193 G HN 0.323 nan 8.290 nan 0.000 0.482 194 F N -0.539 119.297 119.950 -0.190 0.000 2.608 194 F HA 0.469 4.998 4.527 0.004 0.000 0.309 194 F C 1.134 176.957 175.800 0.039 0.000 1.103 194 F CA -0.509 57.454 58.000 -0.061 0.000 0.954 194 F CB 2.370 41.286 39.000 -0.141 0.000 1.267 194 F HN 0.615 nan 8.300 nan 0.000 0.444 195 G N 0.269 109.262 108.800 0.320 0.000 2.471 195 G HA2 0.082 4.044 3.960 0.003 0.000 0.219 195 G HA3 0.082 4.044 3.960 0.003 0.000 0.219 195 G C 0.966 176.058 174.900 0.320 0.000 1.125 195 G CA 0.964 46.309 45.100 0.408 0.000 0.775 195 G HN 0.748 nan 8.290 nan 0.000 0.548 196 S N -0.895 114.875 115.700 0.117 0.000 1.637 196 S HA -0.259 4.213 4.470 0.003 0.000 0.232 196 S C 0.899 175.378 174.600 -0.202 0.000 0.808 196 S CA 1.491 59.610 58.200 -0.135 0.000 1.437 196 S CB -1.275 61.778 63.200 -0.246 0.000 1.838 196 S HN 0.702 nan 8.310 nan 0.000 0.525 197 H N 2.360 121.415 119.070 -0.025 0.000 2.757 197 H HA 0.268 4.826 4.556 0.003 0.000 0.370 197 H C 0.523 175.695 175.328 -0.259 0.000 1.172 197 H CA 0.871 56.776 56.048 -0.239 0.000 1.426 197 H CB 0.062 29.482 29.762 -0.570 0.000 1.438 197 H HN 0.369 nan 8.280 nan 0.000 0.612 198 T N 3.570 118.049 114.554 -0.125 0.000 2.870 198 T HA 0.163 4.514 4.350 0.003 0.000 0.300 198 T C 0.262 174.913 174.700 -0.083 0.000 0.989 198 T CA 0.264 62.323 62.100 -0.069 0.000 1.139 198 T CB -0.103 68.850 68.868 0.143 0.000 0.920 198 T HN 0.239 nan 8.240 nan 0.000 0.537 199 F N 0.629 120.687 119.950 0.180 0.000 2.780 199 F HA 0.672 5.201 4.527 0.004 0.000 0.394 199 F C 0.818 176.823 175.800 0.341 0.000 1.244 199 F CA -0.868 57.300 58.000 0.281 0.000 1.133 199 F CB 1.156 40.360 39.000 0.340 0.000 1.528 199 F HN 0.534 nan 8.300 nan 0.000 0.496 200 S N -0.314 115.672 115.700 0.476 0.000 2.569 200 S HA 0.701 5.172 4.470 0.003 0.000 0.280 200 S C -1.621 173.118 174.600 0.232 0.000 1.111 200 S CA -0.707 57.662 58.200 0.282 0.000 0.887 200 S CB 1.798 65.099 63.200 0.168 0.000 1.095 200 S HN 0.221 nan 8.310 nan 0.000 0.476 201 F N 1.462 121.492 119.950 0.134 0.000 2.443 201 F HA 0.625 5.154 4.527 0.004 0.000 0.335 201 F C -0.180 175.688 175.800 0.113 0.000 1.104 201 F CA -1.995 56.079 58.000 0.123 0.000 1.013 201 F CB 1.522 40.614 39.000 0.153 0.000 1.136 201 F HN 0.450 nan 8.300 nan 0.000 0.470 202 I N 4.078 124.800 120.570 0.252 0.000 2.436 202 I HA 0.227 4.399 4.170 0.003 0.000 0.289 202 I C -0.219 175.955 176.117 0.095 0.000 1.010 202 I CA -0.890 60.487 61.300 0.129 0.000 1.098 202 I CB 1.308 39.336 38.000 0.047 0.000 1.266 202 I HN 0.524 nan 8.210 nan 0.000 0.434 203 N N 3.121 121.886 118.700 0.109 0.000 2.538 203 N HA 0.224 4.966 4.740 0.003 0.000 0.292 203 N C 0.698 176.210 175.510 0.003 0.000 1.262 203 N CA -0.574 52.504 53.050 0.048 0.000 0.976 203 N CB 0.445 38.975 38.487 0.073 0.000 1.161 203 N HN 0.335 nan 8.380 nan 0.000 0.598 204 S N -1.133 114.553 115.700 -0.024 0.000 2.392 204 S HA -0.135 4.337 4.470 0.003 0.000 0.232 204 S C 0.222 174.798 174.600 -0.040 0.000 1.041 204 S CA 1.325 59.501 58.200 -0.040 0.000 1.026 204 S CB -0.485 62.687 63.200 -0.047 0.000 0.845 204 S HN 0.587 nan 8.310 nan 0.000 0.465 205 D N 0.717 121.100 120.400 -0.027 0.000 2.358 205 D HA 0.175 4.817 4.640 0.003 0.000 0.224 205 D C 0.245 176.527 176.300 -0.030 0.000 1.123 205 D CA -0.001 53.981 54.000 -0.030 0.000 0.833 205 D CB -0.198 40.587 40.800 -0.026 0.000 0.946 205 D HN 0.163 nan 8.370 nan 0.000 0.505 206 N N 1.261 119.946 118.700 -0.026 0.000 2.714 206 N HA -0.190 4.552 4.740 0.003 0.000 0.250 206 N C -0.706 174.774 175.510 -0.050 0.000 1.117 206 N CA 0.640 53.671 53.050 -0.032 0.000 0.719 206 N CB -0.893 37.571 38.487 -0.038 0.000 1.081 206 N HN 0.463 nan 8.380 nan 0.000 0.557 207 E N 0.264 120.437 120.200 -0.045 0.000 2.343 207 E HA 0.202 4.554 4.350 0.003 0.000 0.269 207 E C 0.542 177.041 176.600 -0.169 0.000 1.047 207 E CA -0.442 55.881 56.400 -0.129 0.000 0.874 207 E CB 1.379 31.008 29.700 -0.119 0.000 1.033 207 E HN 0.165 nan 8.360 nan 0.000 0.409 208 R N 2.722 123.007 120.500 -0.359 0.000 2.460 208 R HA 0.307 4.649 4.340 0.003 0.000 0.303 208 R C -1.494 174.400 176.300 -0.677 0.000 0.968 208 R CA -0.436 55.431 56.100 -0.388 0.000 0.889 208 R CB 0.654 30.698 30.300 -0.425 0.000 1.123 208 R HN 0.514 nan 8.270 nan 0.000 0.455 209 Y N 2.304 122.492 120.300 -0.187 0.000 2.446 209 Y HA 0.354 4.906 4.550 0.004 0.000 0.345 209 Y C -0.661 175.114 175.900 -0.209 0.000 0.984 209 Y CA -0.662 57.343 58.100 -0.159 0.000 1.058 209 Y CB 1.344 39.865 38.460 0.102 0.000 1.220 209 Y HN 0.527 nan 8.280 nan 0.000 0.455 210 W N 2.425 123.867 121.300 0.237 0.000 2.261 210 W HA 0.601 5.263 4.660 0.003 0.000 0.323 210 W C -0.526 176.130 176.519 0.228 0.000 1.243 210 W CA -0.684 56.818 57.345 0.262 0.000 1.210 210 W CB 1.087 30.746 29.460 0.331 0.000 1.149 210 W HN 0.254 nan 8.180 nan 0.000 0.562 211 V N 3.869 123.944 119.914 0.269 0.000 2.925 211 V HA 0.509 4.631 4.120 0.003 0.000 0.311 211 V C -1.028 174.771 176.094 -0.491 0.000 1.104 211 V CA -1.183 60.956 62.300 -0.269 0.000 0.954 211 V CB 2.056 33.278 31.823 -1.002 0.000 1.022 211 V HN 0.397 nan 8.190 nan 0.000 0.427 212 K N 4.788 124.812 120.400 -0.625 0.000 2.270 212 K HA 0.542 4.864 4.320 0.003 0.000 0.255 212 K C -1.453 174.832 176.600 -0.524 0.000 0.936 212 K CA -0.199 55.744 56.287 -0.572 0.000 0.809 212 K CB 1.939 34.106 32.500 -0.554 0.000 1.131 212 K HN 0.541 nan 8.250 nan 0.000 0.427 213 F N 2.317 122.189 119.950 -0.129 0.000 2.420 213 F HA 0.321 4.849 4.527 0.002 0.000 0.342 213 F C 0.879 176.465 175.800 -0.357 0.000 1.113 213 F CA -0.352 57.545 58.000 -0.172 0.000 1.059 213 F CB 1.004 39.974 39.000 -0.050 0.000 1.128 213 F HN 0.259 nan 8.300 nan 0.000 0.475 214 H N 3.659 122.577 119.070 -0.252 0.000 2.667 214 H HA 0.361 4.919 4.556 0.003 0.000 0.353 214 H C -1.460 173.492 175.328 -0.628 0.000 1.072 214 H CA -0.712 55.132 56.048 -0.339 0.000 1.214 214 H CB 1.997 31.650 29.762 -0.182 0.000 1.600 214 H HN 0.444 nan 8.280 nan 0.000 0.527 215 F N 2.050 121.847 119.950 -0.256 0.000 2.403 215 F HA 0.228 4.756 4.527 0.002 0.000 0.355 215 F C 0.113 175.899 175.800 -0.025 0.000 1.119 215 F CA -0.830 57.124 58.000 -0.076 0.000 1.007 215 F CB 1.500 40.400 39.000 -0.167 0.000 1.194 215 F HN 0.152 nan 8.300 nan 0.000 0.443 216 V N 2.597 122.632 119.914 0.201 0.000 2.383 216 V HA 0.217 4.338 4.120 0.003 0.000 0.275 216 V C 0.402 176.667 176.094 0.285 0.000 1.036 216 V CA -0.704 61.650 62.300 0.090 0.000 0.889 216 V CB 1.313 33.095 31.823 -0.068 0.000 0.985 216 V HN 0.779 nan 8.190 nan 0.000 0.459 217 S N 3.832 119.797 115.700 0.442 0.000 2.525 217 S HA 0.044 4.516 4.470 0.003 0.000 0.285 217 S C 1.002 175.500 174.600 -0.170 0.000 1.283 217 S CA -0.091 58.004 58.200 -0.176 0.000 1.072 217 S CB 0.514 63.645 63.200 -0.116 0.000 0.867 217 S HN 0.801 nan 8.310 nan 0.000 0.492 218 Q N 2.843 122.429 119.800 -0.356 0.000 2.403 218 Q HA 0.030 4.372 4.340 0.003 0.000 0.203 218 Q C 0.985 176.866 176.000 -0.199 0.000 0.932 218 Q CA 0.444 56.126 55.803 -0.202 0.000 0.945 218 Q CB 0.145 28.776 28.738 -0.179 0.000 1.045 218 Q HN 0.710 nan 8.270 nan 0.000 0.511 219 Q N -0.443 119.182 119.800 -0.292 0.000 2.356 219 Q HA 0.200 4.542 4.340 0.003 0.000 0.205 219 Q C 0.436 176.425 176.000 -0.018 0.000 0.901 219 Q CA 0.506 56.183 55.803 -0.211 0.000 0.938 219 Q CB 1.159 29.604 28.738 -0.488 0.000 1.081 219 Q HN 0.353 nan 8.270 nan 0.000 0.517 220 G N 0.535 109.320 108.800 -0.025 0.000 2.795 220 G HA2 -0.192 3.770 3.960 0.003 0.000 0.664 220 G HA3 -0.192 3.770 3.960 0.003 0.000 0.664 220 G C -0.814 174.114 174.900 0.046 0.000 1.381 220 G CA -0.845 44.279 45.100 0.041 0.000 0.853 220 G HN 0.072 nan 8.290 nan 0.000 0.545 221 I N 1.048 121.616 120.570 -0.003 0.000 2.371 221 I HA 0.429 4.601 4.170 0.003 0.000 0.290 221 I C 0.722 176.835 176.117 -0.005 0.000 1.028 221 I CA 0.134 61.415 61.300 -0.031 0.000 1.345 221 I CB 1.058 39.015 38.000 -0.073 0.000 1.407 221 I HN 0.477 nan 8.210 nan 0.000 0.501 222 K N 5.757 126.154 120.400 -0.006 0.000 2.468 222 K HA 0.515 4.837 4.320 0.003 0.000 0.252 222 K C -0.965 175.611 176.600 -0.039 0.000 0.932 222 K CA -0.877 55.353 56.287 -0.095 0.000 0.794 222 K CB 2.648 34.948 32.500 -0.335 0.000 1.241 222 K HN 0.465 nan 8.250 nan 0.000 0.428 223 N N 1.917 120.597 118.700 -0.033 0.000 2.405 223 N HA 0.542 5.284 4.740 0.003 0.000 0.285 223 N C -1.109 174.402 175.510 0.001 0.000 1.262 223 N CA -0.667 52.388 53.050 0.008 0.000 0.773 223 N CB 1.677 40.177 38.487 0.021 0.000 1.490 223 N HN 0.303 nan 8.380 nan 0.000 0.486 224 L N 0.707 121.948 121.223 0.030 0.000 2.346 224 L HA 0.449 4.790 4.340 0.003 0.000 0.274 224 L C 0.887 177.778 176.870 0.035 0.000 1.007 224 L CA -0.774 54.083 54.840 0.028 0.000 0.818 224 L CB 1.785 43.872 42.059 0.046 0.000 1.284 224 L HN 0.630 nan 8.230 nan 0.000 0.424 225 S N -0.285 115.431 115.700 0.027 0.000 2.608 225 S HA 0.102 4.574 4.470 0.003 0.000 0.261 225 S C 0.550 175.175 174.600 0.042 0.000 1.314 225 S CA -0.603 57.618 58.200 0.034 0.000 0.992 225 S CB 1.001 64.216 63.200 0.025 0.000 0.935 225 S HN 0.613 nan 8.310 nan 0.000 0.564 226 D N 1.219 121.648 120.400 0.050 0.000 2.123 226 D HA -0.074 4.568 4.640 0.003 0.000 0.196 226 D C 2.184 178.508 176.300 0.040 0.000 0.992 226 D CA 1.862 55.893 54.000 0.052 0.000 0.833 226 D CB -0.875 39.961 40.800 0.059 0.000 0.954 226 D HN 0.694 nan 8.370 nan 0.000 0.455 227 A N 0.874 123.715 122.820 0.034 0.000 1.898 227 A HA -0.188 4.134 4.320 0.003 0.000 0.216 227 A C 2.085 179.683 177.584 0.023 0.000 1.181 227 A CA 1.430 53.483 52.037 0.027 0.000 0.620 227 A CB -0.500 18.514 19.000 0.023 0.000 0.819 227 A HN 0.198 nan 8.150 nan 0.000 0.442 228 E N -0.245 119.969 120.200 0.022 0.000 2.110 228 E HA -0.086 4.266 4.350 0.003 0.000 0.193 228 E C 2.263 178.879 176.600 0.026 0.000 0.988 228 E CA 0.912 57.323 56.400 0.019 0.000 0.804 228 E CB -0.255 29.453 29.700 0.013 0.000 0.745 228 E HN 0.626 nan 8.360 nan 0.000 0.458 229 A N 1.061 123.902 122.820 0.034 0.000 1.898 229 A HA -0.052 4.269 4.320 0.003 0.000 0.216 229 A C 2.430 180.034 177.584 0.034 0.000 1.181 229 A CA 1.520 53.582 52.037 0.041 0.000 0.620 229 A CB -1.082 17.946 19.000 0.046 0.000 0.819 229 A HN 0.355 nan 8.150 nan 0.000 0.442 230 G N -0.403 108.415 108.800 0.030 0.000 2.440 230 G HA2 -0.287 3.675 3.960 0.003 0.000 0.218 230 G HA3 -0.287 3.675 3.960 0.003 0.000 0.218 230 G C 1.491 176.404 174.900 0.022 0.000 1.154 230 G CA 1.162 46.278 45.100 0.026 0.000 0.767 230 G HN 0.666 nan 8.290 nan 0.000 0.552 231 E N -0.267 119.945 120.200 0.021 0.000 2.051 231 E HA -0.139 4.213 4.350 0.003 0.000 0.192 231 E C 2.420 179.031 176.600 0.019 0.000 0.991 231 E CA 1.057 57.468 56.400 0.017 0.000 0.799 231 E CB -0.215 29.494 29.700 0.014 0.000 0.748 231 E HN 0.309 nan 8.360 nan 0.000 0.449 232 L N 0.594 121.831 121.223 0.023 0.000 2.017 232 L HA -0.146 4.196 4.340 0.003 0.000 0.208 232 L C 2.297 179.185 176.870 0.029 0.000 1.073 232 L CA 1.395 56.252 54.840 0.027 0.000 0.745 232 L CB -0.521 41.561 42.059 0.039 0.000 0.894 232 L HN 0.043 nan 8.230 nan 0.000 0.432 233 V N 0.216 120.147 119.914 0.029 0.000 2.407 233 V HA -0.206 3.915 4.120 0.003 0.000 0.248 233 V C 2.629 178.735 176.094 0.020 0.000 1.055 233 V CA 1.721 64.035 62.300 0.024 0.000 1.049 233 V CB -1.578 30.256 31.823 0.020 0.000 0.662 233 V HN 0.652 nan 8.190 nan 0.000 0.455 234 G N -0.187 108.624 108.800 0.019 0.000 2.450 234 G HA2 -0.284 3.678 3.960 0.003 0.000 0.220 234 G HA3 -0.284 3.678 3.960 0.003 0.000 0.220 234 G C 1.365 176.274 174.900 0.016 0.000 1.130 234 G CA 1.274 46.383 45.100 0.016 0.000 0.760 234 G HN 0.639 nan 8.290 nan 0.000 0.557 235 N N -0.710 118.000 118.700 0.017 0.000 2.395 235 N HA 0.117 4.859 4.740 0.003 0.000 0.175 235 N C -0.478 175.043 175.510 0.019 0.000 1.029 235 N CA 0.554 53.614 53.050 0.016 0.000 0.897 235 N CB 0.455 38.951 38.487 0.015 0.000 0.991 235 N HN 0.126 nan 8.380 nan 0.000 0.441 236 D N -0.903 119.510 120.400 0.023 0.000 2.419 236 D HA 0.219 4.861 4.640 0.003 0.000 0.219 236 D C -0.303 176.016 176.300 0.031 0.000 1.349 236 D CA -0.374 53.642 54.000 0.027 0.000 0.964 236 D CB 0.752 41.570 40.800 0.030 0.000 1.463 236 D HN -0.265 nan 8.370 nan 0.000 0.573 237 R N 1.147 121.663 120.500 0.026 0.000 2.307 237 R HA 0.117 4.459 4.340 0.003 0.000 0.199 237 R C 0.636 176.955 176.300 0.031 0.000 1.000 237 R CA 0.784 56.898 56.100 0.023 0.000 1.023 237 R CB 0.308 30.619 30.300 0.019 0.000 0.908 237 R HN 0.319 nan 8.270 nan 0.000 0.473 238 E N -0.979 119.244 120.200 0.039 0.000 2.585 238 E HA 0.088 4.440 4.350 0.003 0.000 0.206 238 E C 0.783 177.428 176.600 0.076 0.000 1.007 238 E CA 0.205 56.635 56.400 0.051 0.000 1.028 238 E CB 0.573 30.293 29.700 0.033 0.000 1.087 238 E HN 0.211 nan 8.360 nan 0.000 0.455 239 S N 0.193 115.951 115.700 0.097 0.000 2.387 239 S HA -0.220 4.251 4.470 0.003 0.000 0.230 239 S C 1.692 176.343 174.600 0.085 0.000 1.035 239 S CA 1.100 59.366 58.200 0.110 0.000 1.014 239 S CB -0.527 62.767 63.200 0.157 0.000 0.836 239 S HN 0.472 nan 8.310 nan 0.000 0.466 240 H N 0.232 119.231 119.070 -0.117 0.000 2.431 240 H HA 0.087 4.645 4.556 0.003 0.000 0.295 240 H C 2.517 177.811 175.328 -0.057 0.000 1.038 240 H CA 1.159 57.044 56.048 -0.271 0.000 1.360 240 H CB -0.133 29.180 29.762 -0.749 0.000 1.433 240 H HN 0.445 nan 8.280 nan 0.000 0.536 241 Q N 2.137 122.062 119.800 0.208 0.000 2.077 241 Q HA -0.191 4.151 4.340 0.003 0.000 0.206 241 Q C 2.333 178.423 176.000 0.149 0.000 0.989 241 Q CA 1.731 57.669 55.803 0.226 0.000 0.853 241 Q CB -0.226 28.613 28.738 0.168 0.000 0.907 241 Q HN 0.247 nan 8.270 nan 0.000 0.418 242 R N -0.276 120.280 120.500 0.094 0.000 2.083 242 R HA -0.203 4.139 4.340 0.003 0.000 0.237 242 R C 1.956 178.293 176.300 0.061 0.000 1.137 242 R CA 2.070 58.210 56.100 0.067 0.000 0.951 242 R CB -0.585 29.741 30.300 0.043 0.000 0.851 242 R HN 0.557 nan 8.270 nan 0.000 0.434 243 D N -0.367 120.051 120.400 0.029 0.000 2.117 243 D HA -0.192 4.450 4.640 0.003 0.000 0.197 243 D C 1.910 178.253 176.300 0.071 0.000 0.987 243 D CA 1.015 55.023 54.000 0.012 0.000 0.829 243 D CB -0.018 40.735 40.800 -0.078 0.000 0.961 243 D HN 0.195 nan 8.370 nan 0.000 0.460 244 L N 0.037 121.337 121.223 0.130 0.000 2.027 244 L HA 0.005 4.346 4.340 0.003 0.000 0.206 244 L C 2.169 179.153 176.870 0.189 0.000 1.074 244 L CA 1.388 56.350 54.840 0.202 0.000 0.745 244 L CB -0.937 41.316 42.059 0.324 0.000 0.898 244 L HN 0.270 nan 8.230 nan 0.000 0.433 245 L N -0.479 120.849 121.223 0.175 0.000 1.989 245 L HA -0.237 4.105 4.340 0.003 0.000 0.211 245 L C 2.086 179.038 176.870 0.137 0.000 1.071 245 L CA 2.112 57.050 54.840 0.162 0.000 0.749 245 L CB -0.809 41.338 42.059 0.147 0.000 0.890 245 L HN 0.303 nan 8.230 nan 0.000 0.431 246 D N -0.863 119.600 120.400 0.105 0.000 2.097 246 D HA -0.153 4.488 4.640 0.003 0.000 0.195 246 D C 2.328 178.674 176.300 0.077 0.000 0.989 246 D CA 1.571 55.618 54.000 0.079 0.000 0.827 246 D CB -0.270 40.562 40.800 0.054 0.000 0.966 246 D HN 0.338 nan 8.370 nan 0.000 0.456 247 S N 0.335 116.084 115.700 0.083 0.000 2.359 247 S HA -0.116 4.356 4.470 0.003 0.000 0.224 247 S C 2.207 176.870 174.600 0.106 0.000 1.035 247 S CA 0.669 58.912 58.200 0.070 0.000 1.018 247 S CB -0.220 63.024 63.200 0.073 0.000 0.876 247 S HN 0.276 nan 8.310 nan 0.000 0.448 248 I N 1.558 122.250 120.570 0.203 0.000 2.315 248 I HA -0.160 4.012 4.170 0.003 0.000 0.248 248 I C 1.921 178.215 176.117 0.295 0.000 1.117 248 I CA 1.043 62.554 61.300 0.352 0.000 1.404 248 I CB -0.405 37.805 38.000 0.350 0.000 1.071 248 I HN 0.154 nan 8.210 nan 0.000 0.419 249 D N 0.936 121.448 120.400 0.187 0.000 2.178 249 D HA -0.150 4.492 4.640 0.003 0.000 0.201 249 D C 1.466 177.815 176.300 0.082 0.000 0.980 249 D CA 1.215 55.300 54.000 0.141 0.000 0.842 249 D CB -0.431 40.436 40.800 0.111 0.000 0.948 249 D HN 0.461 nan 8.370 nan 0.000 0.472 250 N N 0.467 119.189 118.700 0.036 0.000 2.383 250 N HA 0.001 4.743 4.740 0.003 0.000 0.192 250 N C -0.183 175.245 175.510 -0.137 0.000 1.141 250 N CA -0.055 52.977 53.050 -0.029 0.000 0.851 250 N CB 0.298 38.768 38.487 -0.027 0.000 0.976 250 N HN 0.077 nan 8.380 nan 0.000 0.465 251 Q N -0.058 119.606 119.800 -0.227 0.000 2.481 251 Q HA -0.193 4.149 4.340 0.003 0.000 0.258 251 Q C -0.985 174.437 176.000 -0.962 0.000 0.961 251 Q CA 0.578 55.903 55.803 -0.797 0.000 1.121 251 Q CB -1.580 26.871 28.738 -0.478 0.000 1.503 251 Q HN 0.342 nan 8.270 nan 0.000 0.544 252 D N 0.348 120.459 120.400 -0.481 0.000 2.564 252 D HA 0.242 4.884 4.640 0.003 0.000 0.226 252 D C -0.663 175.567 176.300 -0.115 0.000 1.149 252 D CA -0.223 53.609 54.000 -0.280 0.000 0.994 252 D CB -0.428 40.299 40.800 -0.122 0.000 1.029 252 D HN 0.108 nan 8.370 nan 0.000 0.517 253 F N 3.445 123.413 119.950 0.030 0.000 2.471 253 F HA 0.243 4.771 4.527 0.001 0.000 0.365 253 F C -1.263 174.543 175.800 0.010 0.000 1.095 253 F CA -1.988 56.045 58.000 0.056 0.000 1.174 253 F CB 0.595 39.645 39.000 0.083 0.000 1.105 253 F HN 0.150 nan 8.300 nan 0.000 0.535 254 P HA 0.184 nan 4.420 nan 0.000 0.275 254 P C -1.162 176.094 177.300 -0.074 0.000 1.227 254 P CA -0.408 62.647 63.100 -0.076 0.000 0.781 254 P CB 1.311 32.948 31.700 -0.105 0.000 0.906 255 K N 1.911 122.097 120.400 -0.357 0.000 2.385 255 K HA 0.586 4.908 4.320 0.003 0.000 0.248 255 K C -0.782 175.507 176.600 -0.519 0.000 0.955 255 K CA -0.540 55.602 56.287 -0.241 0.000 0.816 255 K CB 2.331 34.776 32.500 -0.091 0.000 1.250 255 K HN 0.523 nan 8.250 nan 0.000 0.434 256 W N 0.611 121.702 121.300 -0.349 0.000 3.022 256 W HA 0.237 4.898 4.660 0.002 0.000 0.335 256 W C -0.781 175.718 176.519 -0.034 0.000 1.133 256 W CA -0.630 56.608 57.345 -0.179 0.000 1.219 256 W CB 2.548 31.884 29.460 -0.208 0.000 1.409 256 W HN 0.398 nan 8.180 nan 0.000 0.507 257 T N 3.574 118.292 114.554 0.273 0.000 2.744 257 T HA 0.219 4.571 4.350 0.003 0.000 0.291 257 T C -0.321 174.536 174.700 0.261 0.000 0.957 257 T CA -0.511 61.726 62.100 0.229 0.000 1.002 257 T CB 0.889 69.819 68.868 0.103 0.000 0.919 257 T HN 0.186 nan 8.240 nan 0.000 0.468 258 L N 4.970 126.400 121.223 0.346 0.000 2.361 258 L HA 0.396 4.737 4.340 0.003 0.000 0.278 258 L C -0.191 176.692 176.870 0.021 0.000 1.113 258 L CA 0.518 55.431 54.840 0.121 0.000 0.849 258 L CB -0.213 42.097 42.059 0.419 0.000 1.155 258 L HN 0.496 nan 8.230 nan 0.000 0.452 259 K N 4.794 125.133 120.400 -0.101 0.000 2.426 259 K HA 0.754 5.076 4.320 0.003 0.000 0.251 259 K C -1.375 175.172 176.600 -0.088 0.000 0.941 259 K CA -0.961 55.264 56.287 -0.104 0.000 0.808 259 K CB 2.589 34.999 32.500 -0.151 0.000 1.265 259 K HN 0.491 nan 8.250 nan 0.000 0.432 260 V N -1.261 118.585 119.914 -0.112 0.000 2.914 260 V HA 0.489 4.611 4.120 0.003 0.000 0.314 260 V C -0.944 175.063 176.094 -0.145 0.000 1.084 260 V CA -1.005 61.219 62.300 -0.126 0.000 0.963 260 V CB 1.807 33.524 31.823 -0.177 0.000 1.025 260 V HN 0.721 nan 8.190 nan 0.000 0.432 261 Q N 2.560 122.297 119.800 -0.104 0.000 2.282 261 Q HA 0.732 5.074 4.340 0.003 0.000 0.260 261 Q C -1.220 174.813 176.000 0.055 0.000 0.964 261 Q CA -0.494 55.323 55.803 0.024 0.000 0.880 261 Q CB 2.590 31.448 28.738 0.200 0.000 1.286 261 Q HN 0.782 nan 8.270 nan 0.000 0.445 262 I N 2.787 123.393 120.570 0.061 0.000 2.447 262 I HA 0.387 4.558 4.170 0.003 0.000 0.287 262 I C -0.787 175.357 176.117 0.046 0.000 1.023 262 I CA -0.446 60.839 61.300 -0.024 0.000 1.083 262 I CB 1.658 39.437 38.000 -0.370 0.000 1.245 262 I HN 0.476 nan 8.210 nan 0.000 0.434 263 M N 8.852 128.473 119.600 0.035 0.000 2.181 263 M HA 0.551 5.032 4.480 0.003 0.000 0.323 263 M C -2.705 173.680 176.300 0.141 0.000 1.004 263 M CA -1.655 53.556 55.300 -0.148 0.000 0.941 263 M CB 2.170 34.277 32.600 -0.821 0.000 1.579 263 M HN 0.117 nan 8.290 nan 0.000 0.427 264 P HA 0.023 nan 4.420 nan 0.000 0.266 264 P C -0.009 177.298 177.300 0.012 0.000 1.195 264 P CA 0.251 63.444 63.100 0.157 0.000 0.768 264 P CB 0.479 32.283 31.700 0.173 0.000 0.838 265 E N 2.517 122.602 120.200 -0.191 0.000 2.169 265 E HA -0.315 4.036 4.350 0.003 0.000 0.202 265 E C 1.663 178.330 176.600 0.112 0.000 1.016 265 E CA 1.781 58.085 56.400 -0.160 0.000 0.817 265 E CB -0.247 29.276 29.700 -0.294 0.000 0.736 265 E HN 0.526 nan 8.360 nan 0.000 0.462 266 A N 0.780 123.622 122.820 0.038 0.000 1.968 266 A HA -0.148 4.173 4.320 0.003 0.000 0.217 266 A C 1.555 179.164 177.584 0.042 0.000 1.169 266 A CA 1.452 53.516 52.037 0.045 0.000 0.638 266 A CB -0.169 18.840 19.000 0.014 0.000 0.812 266 A HN 0.194 nan 8.150 nan 0.000 0.446 267 D N 0.427 120.850 120.400 0.039 0.000 2.264 267 D HA 0.007 4.648 4.640 0.003 0.000 0.208 267 D C 2.014 178.257 176.300 -0.094 0.000 0.966 267 D CA 1.122 55.116 54.000 -0.010 0.000 0.864 267 D CB -0.288 40.535 40.800 0.037 0.000 0.933 267 D HN 0.442 nan 8.370 nan 0.000 0.499 268 A N 0.882 123.676 122.820 -0.043 0.000 1.972 268 A HA -0.054 4.268 4.320 0.003 0.000 0.219 268 A C 2.257 179.760 177.584 -0.135 0.000 1.169 268 A CA 1.848 53.788 52.037 -0.162 0.000 0.635 268 A CB -0.566 18.437 19.000 0.005 0.000 0.810 268 A HN 0.245 nan 8.150 nan 0.000 0.446 269 A N -0.828 121.969 122.820 -0.038 0.000 2.119 269 A HA 0.066 4.388 4.320 0.003 0.000 0.217 269 A C 2.180 179.713 177.584 -0.085 0.000 1.153 269 A CA 2.097 54.108 52.037 -0.042 0.000 0.692 269 A CB -0.645 18.353 19.000 -0.003 0.000 0.799 269 A HN 0.756 nan 8.150 nan 0.000 0.458 270 T N -3.028 111.459 114.554 -0.111 0.000 2.969 270 T HA 0.273 4.625 4.350 0.003 0.000 0.250 270 T C 0.599 175.187 174.700 -0.187 0.000 1.021 270 T CA 0.424 62.453 62.100 -0.118 0.000 1.003 270 T CB -1.154 67.667 68.868 -0.080 0.000 1.040 270 T HN 0.556 nan 8.240 nan 0.000 0.492 271 V N 1.599 121.340 119.914 -0.289 0.000 2.872 271 V HA 0.294 4.416 4.120 0.003 0.000 0.307 271 V C -0.884 174.908 176.094 -0.504 0.000 1.072 271 V CA -1.282 60.723 62.300 -0.492 0.000 1.148 271 V CB 0.123 31.447 31.823 -0.833 0.000 0.954 271 V HN 0.135 nan 8.190 nan 0.000 0.490 272 P HA 0.067 nan 4.420 nan 0.000 0.233 272 P C -0.189 177.010 177.300 -0.168 0.000 1.167 272 P CA 0.845 63.799 63.100 -0.242 0.000 0.770 272 P CB -0.244 31.404 31.700 -0.087 0.000 0.837 273 Y N -1.701 118.567 120.300 -0.053 0.000 2.487 273 Y HA 0.608 5.159 4.550 0.003 0.000 0.337 273 Y C 0.314 176.162 175.900 -0.086 0.000 1.076 273 Y CA -2.586 55.487 58.100 -0.044 0.000 1.115 273 Y CB -0.153 38.308 38.460 0.002 0.000 1.235 273 Y HN -0.340 nan 8.280 nan 0.000 0.468 274 N N 4.232 122.987 118.700 0.091 0.000 2.427 274 N HA 0.105 4.846 4.740 0.003 0.000 0.269 274 N C -1.861 173.663 175.510 0.023 0.000 1.235 274 N CA -2.229 50.821 53.050 0.001 0.000 0.934 274 N CB 0.668 39.180 38.487 0.043 0.000 1.121 274 N HN 0.513 nan 8.380 nan 0.000 0.480 275 P HA -0.000 nan 4.420 nan 0.000 0.242 275 P C -0.046 177.110 177.300 -0.241 0.000 1.197 275 P CA 0.737 63.739 63.100 -0.162 0.000 0.765 275 P CB -0.036 31.248 31.700 -0.692 0.000 0.936 276 F N -0.770 119.204 119.950 0.040 0.000 2.653 276 F HA 0.253 4.781 4.527 0.003 0.000 0.304 276 F C 0.794 176.591 175.800 -0.005 0.000 1.092 276 F CA -1.140 56.831 58.000 -0.050 0.000 1.279 276 F CB -0.340 38.562 39.000 -0.162 0.000 1.044 276 F HN -0.165 nan 8.300 nan 0.000 0.564 277 D N 1.461 121.945 120.400 0.139 0.000 2.336 277 D HA 0.048 4.690 4.640 0.003 0.000 0.249 277 D C 1.189 177.526 176.300 0.062 0.000 1.213 277 D CA 0.028 54.089 54.000 0.100 0.000 0.870 277 D CB 1.162 42.017 40.800 0.092 0.000 1.076 277 D HN 0.108 nan 8.370 nan 0.000 0.483 278 L N 4.143 125.398 121.223 0.054 0.000 2.362 278 L HA -0.071 4.271 4.340 0.003 0.000 0.219 278 L C 2.056 178.907 176.870 -0.032 0.000 1.134 278 L CA 1.711 56.550 54.840 -0.001 0.000 0.807 278 L CB -0.643 41.439 42.059 0.038 0.000 0.927 278 L HN 0.607 nan 8.230 nan 0.000 0.447 279 T N -4.108 110.451 114.554 0.008 0.000 3.169 279 T HA 0.121 4.473 4.350 0.003 0.000 0.250 279 T C 0.643 175.400 174.700 0.095 0.000 1.111 279 T CA -0.102 62.003 62.100 0.009 0.000 1.010 279 T CB -0.230 68.666 68.868 0.046 0.000 0.984 279 T HN 0.208 nan 8.240 nan 0.000 0.537 280 K N 1.143 121.573 120.400 0.050 0.000 2.426 280 K HA 0.628 4.950 4.320 0.003 0.000 0.251 280 K C -0.566 176.029 176.600 -0.009 0.000 0.941 280 K CA -1.061 55.279 56.287 0.089 0.000 0.808 280 K CB 2.959 35.509 32.500 0.082 0.000 1.265 280 K HN 0.121 nan 8.250 nan 0.000 0.432 281 V N -1.780 118.138 119.914 0.007 0.000 3.096 281 V HA 0.563 4.685 4.120 0.003 0.000 0.319 281 V C -0.923 175.180 176.094 0.014 0.000 1.082 281 V CA -0.863 61.410 62.300 -0.044 0.000 1.022 281 V CB 0.839 32.667 31.823 0.008 0.000 1.103 281 V HN 0.604 nan 8.190 nan 0.000 0.455 282 W N 0.878 122.102 121.300 -0.126 0.000 2.331 282 W HA 0.562 5.224 4.660 0.002 0.000 0.306 282 W C -2.455 174.068 176.519 0.008 0.000 1.162 282 W CA -2.872 54.374 57.345 -0.165 0.000 1.232 282 W CB -0.268 29.215 29.460 0.039 0.000 1.235 282 W HN 0.429 nan 8.180 nan 0.000 0.479 283 P HA -0.073 nan 4.420 nan 0.000 0.262 283 P C 0.730 178.227 177.300 0.329 0.000 1.182 283 P CA 0.577 63.790 63.100 0.189 0.000 0.761 283 P CB 0.643 32.400 31.700 0.095 0.000 0.795 284 H N 2.156 121.279 119.070 0.088 0.000 2.456 284 H HA -0.102 4.455 4.556 0.003 0.000 0.296 284 H C 1.554 176.899 175.328 0.028 0.000 1.079 284 H CA 1.437 57.522 56.048 0.061 0.000 1.322 284 H CB -0.210 29.560 29.762 0.014 0.000 1.388 284 H HN 0.448 nan 8.280 nan 0.000 0.538 285 K N 0.041 120.524 120.400 0.139 0.000 2.057 285 K HA -0.133 4.188 4.320 0.003 0.000 0.207 285 K C 1.407 177.988 176.600 -0.033 0.000 1.049 285 K CA 1.582 57.895 56.287 0.043 0.000 0.931 285 K CB 0.119 32.638 32.500 0.032 0.000 0.714 285 K HN 0.313 nan 8.250 nan 0.000 0.440 286 D N -0.753 119.626 120.400 -0.036 0.000 2.137 286 D HA -0.068 4.574 4.640 0.003 0.000 0.202 286 D C 0.001 175.901 176.300 -0.666 0.000 0.970 286 D CA 1.243 55.070 54.000 -0.289 0.000 0.837 286 D CB 0.159 40.909 40.800 -0.083 0.000 0.981 286 D HN 0.146 nan 8.370 nan 0.000 0.475 287 Y N 0.067 120.409 120.300 0.070 0.000 2.594 287 Y HA 0.347 4.898 4.550 0.002 0.000 0.338 287 Y C -2.345 173.539 175.900 -0.026 0.000 1.019 287 Y CA -2.518 55.608 58.100 0.043 0.000 1.306 287 Y CB 1.710 40.249 38.460 0.132 0.000 1.094 287 Y HN -0.199 nan 8.280 nan 0.000 0.534 288 P HA -0.005 nan 4.420 nan 0.000 0.269 288 P C -0.437 176.773 177.300 -0.150 0.000 1.209 288 P CA -0.257 62.799 63.100 -0.073 0.000 0.776 288 P CB 0.782 32.451 31.700 -0.052 0.000 0.876 289 L N 3.413 124.475 121.223 -0.268 0.000 2.455 289 L HA 0.105 4.446 4.340 0.003 0.000 0.272 289 L C 0.379 177.134 176.870 -0.191 0.000 1.174 289 L CA 0.657 55.313 54.840 -0.307 0.000 0.869 289 L CB -0.697 41.142 42.059 -0.366 0.000 1.130 289 L HN 0.282 nan 8.230 nan 0.000 0.474 290 I N 2.913 123.376 120.570 -0.179 0.000 2.382 290 I HA 0.236 4.407 4.170 0.003 0.000 0.286 290 I C 0.298 176.315 176.117 -0.168 0.000 1.002 290 I CA -0.595 60.615 61.300 -0.151 0.000 1.135 290 I CB 1.493 39.416 38.000 -0.128 0.000 1.288 290 I HN 0.571 nan 8.210 nan 0.000 0.448 291 E N 4.283 124.338 120.200 -0.242 0.000 2.392 291 E HA 0.161 4.512 4.350 0.003 0.000 0.264 291 E C -0.061 176.417 176.600 -0.204 0.000 1.024 291 E CA 0.011 56.233 56.400 -0.296 0.000 0.903 291 E CB 1.130 30.490 29.700 -0.567 0.000 0.963 291 E HN 0.489 nan 8.360 nan 0.000 0.432 292 V N 2.569 122.467 119.914 -0.026 0.000 3.058 292 V HA 0.416 4.537 4.120 0.003 0.000 0.233 292 V C 0.680 176.922 176.094 0.246 0.000 1.255 292 V CA 0.484 62.843 62.300 0.098 0.000 1.267 292 V CB 0.786 32.620 31.823 0.019 0.000 1.049 292 V HN 0.802 nan 8.190 nan 0.000 0.486 293 G N 0.416 109.372 108.800 0.260 0.000 2.428 293 G HA2 0.568 4.529 3.960 0.003 0.000 0.304 293 G HA3 0.568 4.529 3.960 0.003 0.000 0.304 293 G C -1.984 173.014 174.900 0.163 0.000 1.303 293 G CA -0.086 45.085 45.100 0.118 0.000 0.825 293 G HN 0.366 nan 8.290 nan 0.000 0.484 294 E N -1.361 118.835 120.200 -0.007 0.000 2.367 294 E HA 0.734 5.086 4.350 0.003 0.000 0.273 294 E C -1.373 175.402 176.600 0.292 0.000 0.903 294 E CA -1.087 55.431 56.400 0.196 0.000 0.764 294 E CB 2.590 32.359 29.700 0.115 0.000 1.252 294 E HN 0.827 nan 8.360 nan 0.000 0.446 295 F N -0.541 119.699 119.950 0.484 0.000 2.538 295 F HA 0.695 5.224 4.527 0.002 0.000 0.325 295 F C -0.856 175.178 175.800 0.391 0.000 1.066 295 F CA -0.990 57.279 58.000 0.449 0.000 0.946 295 F CB 1.639 40.986 39.000 0.578 0.000 1.199 295 F HN 0.611 nan 8.300 nan 0.000 0.473 296 E N 3.067 123.564 120.200 0.494 0.000 2.272 296 E HA 0.560 4.912 4.350 0.003 0.000 0.269 296 E C -1.950 174.885 176.600 0.392 0.000 0.877 296 E CA -0.933 55.686 56.400 0.365 0.000 0.755 296 E CB 2.242 32.078 29.700 0.227 0.000 1.192 296 E HN 0.824 nan 8.360 nan 0.000 0.422 297 L N 3.708 125.172 121.223 0.402 0.000 2.265 297 L HA 0.345 4.687 4.340 0.003 0.000 0.288 297 L C -0.039 176.879 176.870 0.080 0.000 1.058 297 L CA -0.579 54.424 54.840 0.272 0.000 0.809 297 L CB 0.376 42.649 42.059 0.357 0.000 1.179 297 L HN 0.745 nan 8.230 nan 0.000 0.429 298 N N 2.205 120.821 118.700 -0.139 0.000 2.116 298 N HA 0.105 4.846 4.740 0.003 0.000 0.230 298 N C -0.108 175.192 175.510 -0.349 0.000 1.326 298 N CA -0.551 52.059 53.050 -0.734 0.000 0.867 298 N CB 0.643 38.434 38.487 -1.160 0.000 1.174 298 N HN 0.499 nan 8.380 nan 0.000 0.506 299 R N 0.345 120.840 120.500 -0.007 0.000 2.512 299 R HA 0.340 4.681 4.340 0.003 0.000 0.291 299 R C -1.597 174.850 176.300 0.244 0.000 1.097 299 R CA -0.445 55.727 56.100 0.119 0.000 0.940 299 R CB 0.822 31.181 30.300 0.098 0.000 1.198 299 R HN 0.115 nan 8.270 nan 0.000 0.429 300 N N 4.735 123.571 118.700 0.226 0.000 2.513 300 N HA 0.194 4.936 4.740 0.003 0.000 0.268 300 N C -2.391 173.296 175.510 0.295 0.000 1.180 300 N CA -1.167 52.028 53.050 0.242 0.000 0.948 300 N CB 0.834 39.445 38.487 0.206 0.000 1.083 300 N HN 0.316 nan 8.380 nan 0.000 0.455 301 P HA -0.030 nan 4.420 nan 0.000 0.268 301 P C 0.228 177.667 177.300 0.232 0.000 1.208 301 P CA -0.138 63.176 63.100 0.356 0.000 0.777 301 P CB 0.673 32.534 31.700 0.268 0.000 0.875 302 Q N 0.790 120.698 119.800 0.181 0.000 2.212 302 Q HA 0.009 4.350 4.340 0.003 0.000 0.199 302 Q C 0.313 176.399 176.000 0.144 0.000 0.950 302 Q CA 1.331 57.214 55.803 0.134 0.000 0.863 302 Q CB -0.025 28.765 28.738 0.087 0.000 0.944 302 Q HN 0.497 nan 8.270 nan 0.000 0.465 303 N N -0.531 118.260 118.700 0.151 0.000 2.491 303 N HA 0.017 4.759 4.740 0.003 0.000 0.274 303 N C -0.227 175.401 175.510 0.196 0.000 1.023 303 N CA -0.064 53.091 53.050 0.176 0.000 0.902 303 N CB 0.963 39.542 38.487 0.153 0.000 1.267 303 N HN -0.039 nan 8.380 nan 0.000 0.503 304 Y N 4.810 125.192 120.300 0.136 0.000 2.145 304 Y HA -0.212 4.340 4.550 0.003 0.000 0.286 304 Y C 1.736 177.704 175.900 0.112 0.000 1.145 304 Y CA 1.743 59.919 58.100 0.125 0.000 1.148 304 Y CB -0.190 38.350 38.460 0.133 0.000 0.981 304 Y HN 0.652 nan 8.280 nan 0.000 0.507 305 F N 0.543 120.616 119.950 0.205 0.000 2.075 305 F HA -0.178 4.350 4.527 0.003 0.000 0.297 305 F C 2.320 178.102 175.800 -0.030 0.000 1.113 305 F CA 1.953 60.014 58.000 0.102 0.000 1.218 305 F CB -0.918 38.150 39.000 0.114 0.000 0.984 305 F HN 0.057 nan 8.300 nan 0.000 0.472 306 A N -0.358 122.476 122.820 0.024 0.000 1.930 306 A HA -0.139 4.182 4.320 0.003 0.000 0.217 306 A C 2.051 179.489 177.584 -0.244 0.000 1.175 306 A CA 1.947 53.929 52.037 -0.090 0.000 0.627 306 A CB -0.611 18.438 19.000 0.081 0.000 0.815 306 A HN 0.614 nan 8.150 nan 0.000 0.443 307 E N -1.447 118.617 120.200 -0.228 0.000 2.372 307 E HA 0.105 4.456 4.350 0.003 0.000 0.201 307 E C 1.562 177.893 176.600 -0.448 0.000 0.938 307 E CA 0.619 56.837 56.400 -0.303 0.000 0.944 307 E CB 0.443 30.067 29.700 -0.127 0.000 0.937 307 E HN 0.388 nan 8.360 nan 0.000 0.495 308 V N 0.567 120.217 119.914 -0.441 0.000 2.743 308 V HA -0.057 4.065 4.120 0.003 0.000 0.237 308 V C 2.100 177.910 176.094 -0.473 0.000 1.113 308 V CA 0.997 63.032 62.300 -0.442 0.000 1.141 308 V CB -0.038 31.319 31.823 -0.776 0.000 0.873 308 V HN 0.030 nan 8.190 nan 0.000 0.486 309 E N 1.054 120.884 120.200 -0.616 0.000 2.085 309 E HA -0.242 4.109 4.350 0.003 0.000 0.194 309 E C 2.139 178.508 176.600 -0.385 0.000 0.994 309 E CA 1.713 57.891 56.400 -0.370 0.000 0.801 309 E CB -0.245 29.308 29.700 -0.244 0.000 0.743 309 E HN 0.608 nan 8.360 nan 0.000 0.453 310 Q N -0.287 119.191 119.800 -0.537 0.000 2.482 310 Q HA 0.187 4.528 4.340 0.003 0.000 0.209 310 Q C -0.002 175.799 176.000 -0.332 0.000 0.961 310 Q CA 0.244 55.780 55.803 -0.444 0.000 0.945 310 Q CB 0.199 28.641 28.738 -0.494 0.000 1.012 310 Q HN 0.244 nan 8.270 nan 0.000 0.515 311 A N 1.027 123.645 122.820 -0.338 0.000 2.511 311 A HA 0.423 4.744 4.320 0.003 0.000 0.242 311 A C -0.157 177.238 177.584 -0.315 0.000 1.069 311 A CA 0.337 52.144 52.037 -0.383 0.000 0.763 311 A CB 0.223 19.046 19.000 -0.294 0.000 1.001 311 A HN 0.266 nan 8.150 nan 0.000 0.498 312 A N 2.255 124.819 122.820 -0.426 0.000 2.357 312 A HA 0.695 5.017 4.320 0.003 0.000 0.295 312 A C -1.010 176.355 177.584 -0.365 0.000 1.121 312 A CA -0.431 51.454 52.037 -0.253 0.000 0.742 312 A CB 0.505 19.422 19.000 -0.137 0.000 1.181 312 A HN 0.664 nan 8.150 nan 0.000 0.454 313 F N 1.603 121.511 119.950 -0.071 0.000 2.426 313 F HA 0.435 4.964 4.527 0.002 0.000 0.348 313 F C 0.543 176.273 175.800 -0.117 0.000 1.124 313 F CA -0.433 57.487 58.000 -0.132 0.000 1.008 313 F CB 1.914 40.783 39.000 -0.219 0.000 1.139 313 F HN 0.674 nan 8.300 nan 0.000 0.452 314 N N 4.870 123.579 118.700 0.015 0.000 2.479 314 N HA 0.310 5.051 4.740 0.003 0.000 0.261 314 N C -2.168 173.271 175.510 -0.118 0.000 0.979 314 N CA -2.005 51.007 53.050 -0.063 0.000 0.930 314 N CB 1.863 40.370 38.487 0.033 0.000 1.172 314 N HN 0.157 nan 8.380 nan 0.000 0.499 315 P HA -0.161 nan 4.420 nan 0.000 0.218 315 P C 0.808 178.195 177.300 0.145 0.000 1.146 315 P CA 0.976 64.012 63.100 -0.107 0.000 0.813 315 P CB 0.206 31.743 31.700 -0.271 0.000 0.778 316 A N -0.987 121.861 122.820 0.046 0.000 2.121 316 A HA -0.139 4.183 4.320 0.003 0.000 0.218 316 A C 1.047 178.827 177.584 0.325 0.000 1.154 316 A CA 0.778 52.906 52.037 0.151 0.000 0.679 316 A CB -1.458 17.544 19.000 0.004 0.000 0.795 316 A HN 0.293 nan 8.150 nan 0.000 0.458 317 N N 0.091 118.919 118.700 0.214 0.000 2.549 317 N HA 0.350 5.092 4.740 0.003 0.000 0.267 317 N C -0.770 174.901 175.510 0.268 0.000 1.182 317 N CA -0.321 52.843 53.050 0.190 0.000 1.019 317 N CB 0.760 39.308 38.487 0.102 0.000 1.380 317 N HN 0.146 nan 8.380 nan 0.000 0.505 318 V N 1.536 121.590 119.914 0.232 0.000 3.177 318 V HA 0.557 4.679 4.120 0.003 0.000 0.319 318 V C -0.048 176.040 176.094 -0.010 0.000 1.125 318 V CA -0.702 61.669 62.300 0.117 0.000 1.029 318 V CB 2.177 33.980 31.823 -0.033 0.000 1.119 318 V HN 0.226 nan 8.190 nan 0.000 0.452 319 V N -0.234 119.584 119.914 -0.161 0.000 3.040 319 V HA 0.690 4.811 4.120 0.003 0.000 0.312 319 V C -2.871 173.129 176.094 -0.156 0.000 1.115 319 V CA -2.940 59.268 62.300 -0.153 0.000 0.998 319 V CB 1.461 33.179 31.823 -0.176 0.000 1.042 319 V HN 0.693 nan 8.190 nan 0.000 0.433 320 P HA 0.300 nan 4.420 nan 0.000 0.260 320 P C 0.957 178.231 177.300 -0.044 0.000 1.172 320 P CA 2.023 65.130 63.100 0.011 0.000 0.760 320 P CB 0.477 32.296 31.700 0.197 0.000 0.773 321 G N 2.461 111.245 108.800 -0.027 0.000 2.195 321 G HA2 -0.176 3.785 3.960 0.003 0.000 0.224 321 G HA3 -0.176 3.785 3.960 0.003 0.000 0.224 321 G C -0.057 174.858 174.900 0.025 0.000 0.990 321 G CA -0.373 44.708 45.100 -0.031 0.000 0.639 321 G HN 0.497 nan 8.290 nan 0.000 0.514 322 I N 1.011 121.554 120.570 -0.044 0.000 2.512 322 I HA 0.669 4.841 4.170 0.003 0.000 0.287 322 I C -0.006 176.036 176.117 -0.125 0.000 1.069 322 I CA -0.654 60.642 61.300 -0.006 0.000 1.056 322 I CB 2.015 39.829 38.000 -0.311 0.000 1.229 322 I HN 0.124 nan 8.210 nan 0.000 0.429 323 S N 4.108 119.771 115.700 -0.062 0.000 2.911 323 S HA 0.740 5.212 4.470 0.003 0.000 0.319 323 S C -0.665 173.858 174.600 -0.129 0.000 1.154 323 S CA -0.389 57.594 58.200 -0.361 0.000 0.857 323 S CB 1.069 64.120 63.200 -0.248 0.000 1.279 323 S HN 0.299 nan 8.310 nan 0.000 0.593 324 F N 1.691 121.819 119.950 0.297 0.000 2.266 324 F HA 0.749 5.278 4.527 0.003 0.000 0.306 324 F C 1.019 176.972 175.800 0.254 0.000 1.016 324 F CA -0.303 57.845 58.000 0.246 0.000 1.127 324 F CB 0.146 39.214 39.000 0.113 0.000 1.735 324 F HN 0.619 nan 8.300 nan 0.000 0.540 325 S N -0.938 114.920 115.700 0.263 0.000 2.596 325 S HA 0.483 4.954 4.470 0.003 0.000 0.270 325 S C -2.768 171.672 174.600 -0.265 0.000 1.155 325 S CA -1.149 57.058 58.200 0.012 0.000 0.827 325 S CB 1.759 64.900 63.200 -0.097 0.000 1.130 325 S HN 0.282 nan 8.310 nan 0.000 0.467 326 P HA 0.145 nan 4.420 nan 0.000 0.256 326 P C -0.326 176.730 177.300 -0.407 0.000 1.335 326 P CA 0.087 62.874 63.100 -0.521 0.000 0.808 326 P CB -0.723 30.601 31.700 -0.627 0.000 1.305 327 D N 1.368 121.583 120.400 -0.309 0.000 2.451 327 D HA -0.059 4.583 4.640 0.003 0.000 0.254 327 D C 1.106 177.348 176.300 -0.097 0.000 1.204 327 D CA 0.366 54.319 54.000 -0.078 0.000 0.896 327 D CB 0.834 41.631 40.800 -0.006 0.000 1.136 327 D HN 0.045 nan 8.370 nan 0.000 0.499 328 K N 3.694 124.077 120.400 -0.029 0.000 2.147 328 K HA -0.127 4.195 4.320 0.003 0.000 0.205 328 K C 1.963 178.557 176.600 -0.011 0.000 1.049 328 K CA 0.783 57.061 56.287 -0.015 0.000 0.936 328 K CB -0.017 32.508 32.500 0.041 0.000 0.722 328 K HN 0.514 nan 8.250 nan 0.000 0.446 329 M N 0.655 120.275 119.600 0.032 0.000 2.108 329 M HA -0.141 4.341 4.480 0.003 0.000 0.261 329 M C 2.340 178.577 176.300 -0.105 0.000 1.066 329 M CA 1.206 56.547 55.300 0.069 0.000 1.107 329 M CB -0.830 31.910 32.600 0.234 0.000 1.356 329 M HN 0.163 nan 8.290 nan 0.000 0.406 330 L N 0.934 121.926 121.223 -0.385 0.000 2.046 330 L HA -0.179 4.163 4.340 0.003 0.000 0.208 330 L C 2.480 179.133 176.870 -0.362 0.000 1.077 330 L CA 1.826 56.229 54.840 -0.728 0.000 0.747 330 L CB -0.868 40.635 42.059 -0.926 0.000 0.896 330 L HN 0.282 nan 8.230 nan 0.000 0.432 331 Q N -0.067 119.586 119.800 -0.245 0.000 2.077 331 Q HA -0.189 4.152 4.340 0.003 0.000 0.206 331 Q C 2.140 178.073 176.000 -0.111 0.000 0.989 331 Q CA 1.880 57.578 55.803 -0.176 0.000 0.853 331 Q CB -1.072 27.597 28.738 -0.115 0.000 0.907 331 Q HN 0.681 nan 8.270 nan 0.000 0.418 332 G N 0.926 109.691 108.800 -0.058 0.000 2.422 332 G HA2 -0.268 3.694 3.960 0.003 0.000 0.218 332 G HA3 -0.268 3.694 3.960 0.003 0.000 0.218 332 G C 1.510 176.434 174.900 0.040 0.000 1.146 332 G CA 0.592 45.703 45.100 0.019 0.000 0.769 332 G HN 0.294 nan 8.290 nan 0.000 0.547 333 R N -0.087 120.398 120.500 -0.026 0.000 2.193 333 R HA 0.107 4.449 4.340 0.003 0.000 0.229 333 R C 2.414 178.731 176.300 0.027 0.000 1.110 333 R CA 0.470 56.603 56.100 0.055 0.000 0.988 333 R CB -0.367 29.930 30.300 -0.004 0.000 0.871 333 R HN 0.348 nan 8.270 nan 0.000 0.458 334 L N -0.316 120.850 121.223 -0.095 0.000 2.265 334 L HA -0.154 4.188 4.340 0.003 0.000 0.215 334 L C 2.062 178.942 176.870 0.016 0.000 1.117 334 L CA 0.949 55.702 54.840 -0.146 0.000 0.782 334 L CB -0.326 41.531 42.059 -0.336 0.000 0.914 334 L HN 0.176 nan 8.230 nan 0.000 0.441 335 F N 0.589 120.506 119.950 -0.054 0.000 2.274 335 F HA 0.162 4.691 4.527 0.003 0.000 0.288 335 F C 2.401 178.209 175.800 0.013 0.000 1.069 335 F CA 0.759 58.745 58.000 -0.023 0.000 1.343 335 F CB -0.234 38.747 39.000 -0.032 0.000 1.089 335 F HN -0.098 nan 8.300 nan 0.000 0.517 336 A N -0.549 122.114 122.820 -0.262 0.000 1.969 336 A HA -0.114 4.208 4.320 0.003 0.000 0.218 336 A C 1.880 179.230 177.584 -0.390 0.000 1.169 336 A CA 1.459 53.219 52.037 -0.463 0.000 0.635 336 A CB -1.316 17.540 19.000 -0.241 0.000 0.810 336 A HN 0.543 nan 8.150 nan 0.000 0.445 337 Y N -0.143 119.993 120.300 -0.273 0.000 2.176 337 Y HA 0.047 4.599 4.550 0.003 0.000 0.291 337 Y C 2.823 178.614 175.900 -0.182 0.000 1.122 337 Y CA 0.850 58.837 58.100 -0.188 0.000 1.128 337 Y CB -1.081 37.307 38.460 -0.121 0.000 1.005 337 Y HN 0.293 nan 8.280 nan 0.000 0.509 338 G N -0.330 108.474 108.800 0.006 0.000 2.469 338 G HA2 -0.378 3.584 3.960 0.003 0.000 0.219 338 G HA3 -0.378 3.584 3.960 0.003 0.000 0.219 338 G C 1.288 176.122 174.900 -0.110 0.000 1.150 338 G CA 1.571 46.657 45.100 -0.023 0.000 0.763 338 G HN 0.429 nan 8.290 nan 0.000 0.561 339 D N 0.634 120.867 120.400 -0.278 0.000 2.092 339 D HA -0.005 4.637 4.640 0.003 0.000 0.193 339 D C 2.736 178.918 176.300 -0.196 0.000 0.994 339 D CA 1.744 55.548 54.000 -0.327 0.000 0.828 339 D CB -0.417 39.909 40.800 -0.791 0.000 0.963 339 D HN 0.245 nan 8.370 nan 0.000 0.450 340 A N -0.301 122.384 122.820 -0.226 0.000 1.933 340 A HA -0.205 4.117 4.320 0.003 0.000 0.218 340 A C 2.173 179.704 177.584 -0.087 0.000 1.175 340 A CA 1.687 53.645 52.037 -0.132 0.000 0.628 340 A CB -0.631 18.247 19.000 -0.202 0.000 0.814 340 A HN 0.375 nan 8.150 nan 0.000 0.444 341 Q N -0.947 118.751 119.800 -0.169 0.000 2.137 341 Q HA -0.028 4.314 4.340 0.003 0.000 0.198 341 Q C 2.310 178.064 176.000 -0.409 0.000 0.960 341 Q CA 0.988 56.591 55.803 -0.334 0.000 0.847 341 Q CB -0.080 28.405 28.738 -0.420 0.000 0.915 341 Q HN 0.602 nan 8.270 nan 0.000 0.448 342 R N -0.428 119.966 120.500 -0.177 0.000 2.081 342 R HA -0.186 4.156 4.340 0.003 0.000 0.235 342 R C 2.088 178.380 176.300 -0.013 0.000 1.131 342 R CA 1.540 57.621 56.100 -0.032 0.000 0.960 342 R CB -0.338 29.981 30.300 0.032 0.000 0.856 342 R HN 0.294 nan 8.270 nan 0.000 0.436 343 Y N 1.419 121.657 120.300 -0.104 0.000 2.114 343 Y HA -0.239 4.313 4.550 0.003 0.000 0.284 343 Y C 2.532 178.382 175.900 -0.084 0.000 1.143 343 Y CA 1.721 59.774 58.100 -0.078 0.000 1.135 343 Y CB -0.199 38.218 38.460 -0.073 0.000 0.980 343 Y HN -0.141 nan 8.280 nan 0.000 0.499 344 R N -0.221 120.166 120.500 -0.189 0.000 2.075 344 R HA -0.072 4.270 4.340 0.003 0.000 0.232 344 R C 1.558 177.706 176.300 -0.254 0.000 1.126 344 R CA 2.018 57.964 56.100 -0.258 0.000 0.963 344 R CB -0.216 30.015 30.300 -0.116 0.000 0.858 344 R HN 0.500 nan 8.270 nan 0.000 0.435 345 L N -0.999 120.079 121.223 -0.241 0.000 2.701 345 L HA 0.389 4.731 4.340 0.003 0.000 0.238 345 L C 0.333 177.152 176.870 -0.085 0.000 1.106 345 L CA 0.069 54.799 54.840 -0.183 0.000 0.898 345 L CB 1.269 43.174 42.059 -0.256 0.000 1.188 345 L HN 0.434 nan 8.230 nan 0.000 0.508 346 G N -0.112 108.642 108.800 -0.078 0.000 2.650 346 G HA2 -0.184 3.778 3.960 0.003 0.000 0.686 346 G HA3 -0.184 3.778 3.960 0.003 0.000 0.686 346 G C 0.086 175.041 174.900 0.091 0.000 1.205 346 G CA -0.345 44.752 45.100 -0.005 0.000 0.781 346 G HN -0.255 nan 8.290 nan 0.000 0.648 347 V N 0.870 120.815 119.914 0.051 0.000 2.490 347 V HA -0.088 4.034 4.120 0.003 0.000 0.250 347 V C 1.874 177.942 176.094 -0.042 0.000 1.061 347 V CA 2.440 64.764 62.300 0.041 0.000 1.064 347 V CB -0.287 31.531 31.823 -0.008 0.000 0.670 347 V HN 0.671 nan 8.190 nan 0.000 0.461 348 N N 0.085 118.746 118.700 -0.064 0.000 2.322 348 N HA 0.027 4.768 4.740 0.003 0.000 0.216 348 N C 1.223 176.582 175.510 -0.252 0.000 1.144 348 N CA 0.743 53.667 53.050 -0.210 0.000 0.830 348 N CB -0.306 38.152 38.487 -0.048 0.000 1.034 348 N HN 0.913 nan 8.380 nan 0.000 0.484 349 H N -0.855 118.119 119.070 -0.160 0.000 2.518 349 H HA 0.003 4.561 4.556 0.003 0.000 0.289 349 H C 1.265 176.500 175.328 -0.156 0.000 1.051 349 H CA 1.100 57.066 56.048 -0.137 0.000 1.280 349 H CB -0.051 29.633 29.762 -0.130 0.000 1.380 349 H HN 0.166 nan 8.280 nan 0.000 0.566 350 Q N -0.124 119.294 119.800 -0.636 0.000 2.444 350 Q HA -0.031 4.311 4.340 0.003 0.000 0.206 350 Q C 0.832 176.717 176.000 -0.192 0.000 0.948 350 Q CA 0.163 55.725 55.803 -0.402 0.000 0.946 350 Q CB 0.229 28.713 28.738 -0.422 0.000 1.027 350 Q HN 0.719 nan 8.270 nan 0.000 0.513 351 H N -0.523 118.474 119.070 -0.122 0.000 2.548 351 H HA 0.123 4.681 4.556 0.003 0.000 0.265 351 H C 0.264 175.546 175.328 -0.077 0.000 0.969 351 H CA 0.082 56.077 56.048 -0.088 0.000 1.155 351 H CB 0.103 29.815 29.762 -0.082 0.000 1.394 351 H HN 0.176 nan 8.280 nan 0.000 0.570 352 I N 2.921 123.502 120.570 0.019 0.000 2.598 352 I HA -0.035 4.136 4.170 0.003 0.000 0.284 352 I C -1.088 174.993 176.117 -0.060 0.000 1.140 352 I CA -1.327 59.956 61.300 -0.028 0.000 1.420 352 I CB 0.978 38.941 38.000 -0.063 0.000 1.387 352 I HN -0.077 nan 8.210 nan 0.000 0.553 353 P HA -0.254 nan 4.420 nan 0.000 0.217 353 P C 1.771 179.004 177.300 -0.112 0.000 1.162 353 P CA 1.150 64.196 63.100 -0.089 0.000 0.901 353 P CB 0.165 31.809 31.700 -0.093 0.000 0.793 354 V N -0.379 119.441 119.914 -0.157 0.000 2.568 354 V HA -0.217 3.904 4.120 0.003 0.000 0.253 354 V C 1.604 177.612 176.094 -0.144 0.000 1.072 354 V CA 2.099 64.266 62.300 -0.221 0.000 1.084 354 V CB -0.973 30.529 31.823 -0.536 0.000 0.676 354 V HN 0.123 nan 8.190 nan 0.000 0.469 355 N N 0.371 118.986 118.700 -0.141 0.000 2.392 355 N HA 0.185 4.927 4.740 0.003 0.000 0.177 355 N C 0.674 176.172 175.510 -0.020 0.000 1.066 355 N CA 0.770 53.750 53.050 -0.116 0.000 0.895 355 N CB -0.108 38.307 38.487 -0.121 0.000 0.988 355 N HN 0.525 nan 8.380 nan 0.000 0.457 356 A N 2.587 125.410 122.820 0.006 0.000 2.462 356 A HA 0.335 4.657 4.320 0.003 0.000 0.243 356 A C -2.101 175.539 177.584 0.093 0.000 1.076 356 A CA -0.838 51.216 52.037 0.029 0.000 0.773 356 A CB -0.143 18.857 19.000 -0.000 0.000 1.010 356 A HN -0.014 nan 8.150 nan 0.000 0.493 357 P HA 0.203 nan 4.420 nan 0.000 0.270 357 P C -0.302 177.036 177.300 0.063 0.000 1.223 357 P CA -0.032 63.144 63.100 0.125 0.000 0.785 357 P CB 0.423 32.177 31.700 0.090 0.000 0.923 358 R N 0.256 120.801 120.500 0.075 0.000 2.767 358 R HA 0.316 4.658 4.340 0.003 0.000 0.377 358 R C -0.179 176.136 176.300 0.026 0.000 1.151 358 R CA -0.191 55.901 56.100 -0.013 0.000 1.046 358 R CB -0.365 29.878 30.300 -0.096 0.000 1.404 358 R HN 0.611 nan 8.270 nan 0.000 0.580 359 C N -2.421 116.904 119.300 0.041 0.000 3.236 359 C HA 0.661 5.123 4.460 0.003 0.000 0.312 359 C C -2.798 172.215 174.990 0.038 0.000 1.374 359 C CA -2.588 56.452 59.018 0.037 0.000 1.455 359 C CB 1.379 29.146 27.740 0.044 0.000 1.834 359 C HN 0.091 nan 8.230 nan 0.000 0.460 360 P HA 0.356 nan 4.420 nan 0.000 0.265 360 P C -0.714 176.630 177.300 0.074 0.000 1.193 360 P CA 0.191 63.317 63.100 0.044 0.000 0.765 360 P CB 0.570 32.285 31.700 0.025 0.000 0.823 361 V N 3.924 123.910 119.914 0.121 0.000 2.709 361 V HA 0.434 4.556 4.120 0.003 0.000 0.308 361 V C -1.189 175.099 176.094 0.324 0.000 1.062 361 V CA -0.378 62.028 62.300 0.177 0.000 0.901 361 V CB 1.770 33.684 31.823 0.151 0.000 1.003 361 V HN 0.692 nan 8.190 nan 0.000 0.425 362 H N 4.603 123.797 119.070 0.207 0.000 2.734 362 H HA 0.233 4.791 4.556 0.003 0.000 0.247 362 H C 0.228 175.721 175.328 0.275 0.000 1.415 362 H CA 0.531 56.760 56.048 0.301 0.000 1.514 362 H CB 1.248 31.113 29.762 0.172 0.000 1.841 362 H HN 0.757 nan 8.280 nan 0.000 0.609 363 S N 2.062 117.886 115.700 0.207 0.000 2.556 363 S HA -0.040 4.432 4.470 0.003 0.000 0.216 363 S C 1.037 175.363 174.600 -0.458 0.000 0.970 363 S CA 0.332 58.504 58.200 -0.047 0.000 0.912 363 S CB -0.201 63.033 63.200 0.056 0.000 0.790 363 S HN 0.771 nan 8.310 nan 0.000 0.504 364 Y N 1.738 121.454 120.300 -0.973 0.000 2.865 364 Y HA -0.358 4.194 4.550 0.003 0.000 0.480 364 Y C 0.143 175.515 175.900 -0.881 0.000 1.252 364 Y CA 1.763 58.840 58.100 -1.704 0.000 2.596 364 Y CB -1.969 35.676 38.460 -1.358 0.000 0.917 364 Y HN 0.573 nan 8.280 nan 0.000 0.522 365 H N 3.956 122.919 119.070 -0.179 0.000 3.034 365 H HA 0.384 4.942 4.556 0.003 0.000 0.324 365 H C 0.299 175.592 175.328 -0.058 0.000 1.015 365 H CA 0.761 56.736 56.048 -0.121 0.000 1.429 365 H CB 0.306 30.076 29.762 0.014 0.000 1.429 365 H HN 0.228 nan 8.280 nan 0.000 0.585 366 R N 2.296 122.781 120.500 -0.024 0.000 2.787 366 R HA 0.204 4.546 4.340 0.003 0.000 0.271 366 R C 0.393 176.711 176.300 0.030 0.000 0.993 366 R CA -0.726 55.384 56.100 0.016 0.000 0.993 366 R CB 1.020 31.282 30.300 -0.064 0.000 1.155 366 R HN 0.717 nan 8.270 nan 0.000 0.486 367 D N -0.063 120.359 120.400 0.036 0.000 3.396 367 D HA -0.209 4.433 4.640 0.003 0.000 0.196 367 D C 0.379 176.694 176.300 0.026 0.000 1.347 367 D CA 1.976 55.990 54.000 0.025 0.000 1.106 367 D CB -1.103 39.707 40.800 0.017 0.000 0.619 367 D HN 0.871 nan 8.370 nan 0.000 0.728 368 G N -0.879 107.931 108.800 0.017 0.000 2.733 368 G HA2 0.399 4.361 3.960 0.003 0.000 0.686 368 G HA3 0.399 4.361 3.960 0.003 0.000 0.686 368 G C 0.087 174.995 174.900 0.014 0.000 1.373 368 G CA 0.459 45.566 45.100 0.013 0.000 0.838 368 G HN 1.528 nan 8.290 nan 0.000 0.588 369 A N 2.336 125.162 122.820 0.009 0.000 2.561 369 A HA 0.549 4.871 4.320 0.003 0.000 0.234 369 A C 1.527 179.121 177.584 0.016 0.000 1.055 369 A CA 1.493 53.534 52.037 0.008 0.000 0.756 369 A CB -0.092 18.909 19.000 0.001 0.000 0.986 369 A HN 2.203 nan 8.150 nan 0.000 0.505 370 M N 0.364 119.973 119.600 0.014 0.000 2.350 370 M HA -0.137 4.345 4.480 0.003 0.000 0.190 370 M C 0.129 176.449 176.300 0.035 0.000 0.710 370 M CA 0.686 55.998 55.300 0.021 0.000 0.495 370 M CB -1.576 31.038 32.600 0.023 0.000 1.136 370 M HN 0.847 nan 8.290 nan 0.000 0.901 371 R N 1.123 121.637 120.500 0.022 0.000 2.220 371 R HA 0.427 4.769 4.340 0.003 0.000 0.340 371 R C 0.960 177.243 176.300 -0.029 0.000 1.076 371 R CA 0.214 56.324 56.100 0.017 0.000 0.920 371 R CB 0.376 30.680 30.300 0.006 0.000 1.062 371 R HN 0.360 nan 8.270 nan 0.000 0.469 372 V N 0.176 120.052 119.914 -0.063 0.000 3.556 372 V HA 0.217 4.339 4.120 0.003 0.000 0.287 372 V C 0.700 176.687 176.094 -0.177 0.000 1.422 372 V CA 0.573 62.816 62.300 -0.095 0.000 1.038 372 V CB 0.588 32.374 31.823 -0.061 0.000 0.850 372 V HN 0.672 nan 8.190 nan 0.000 0.437 373 D N 0.866 121.085 120.400 -0.302 0.000 2.339 373 D HA 0.260 4.902 4.640 0.003 0.000 0.217 373 D C 1.649 177.773 176.300 -0.294 0.000 1.050 373 D CA 0.895 54.661 54.000 -0.391 0.000 0.856 373 D CB 0.543 40.902 40.800 -0.735 0.000 0.922 373 D HN 0.871 nan 8.370 nan 0.000 0.518 374 G N 1.344 110.017 108.800 -0.211 0.000 2.213 374 G HA2 -0.367 3.595 3.960 0.003 0.000 0.236 374 G HA3 -0.367 3.595 3.960 0.003 0.000 0.236 374 G C 0.671 175.482 174.900 -0.148 0.000 0.991 374 G CA 0.187 45.197 45.100 -0.149 0.000 0.629 374 G HN 0.472 nan 8.290 nan 0.000 0.517 375 N N -1.096 117.448 118.700 -0.261 0.000 2.741 375 N HA -0.225 4.516 4.740 0.003 0.000 0.250 375 N C 0.757 176.237 175.510 -0.050 0.000 1.115 375 N CA 1.885 54.815 53.050 -0.201 0.000 0.724 375 N CB -1.774 36.690 38.487 -0.038 0.000 1.090 375 N HN 1.508 nan 8.380 nan 0.000 0.558 376 F N -3.638 116.343 119.950 0.052 0.000 2.953 376 F HA -0.223 4.306 4.527 0.002 0.000 0.292 376 F C 1.753 177.588 175.800 0.059 0.000 0.747 376 F CA 1.530 59.583 58.000 0.088 0.000 1.222 376 F CB -1.718 37.395 39.000 0.189 0.000 1.457 376 F HN 0.510 nan 8.300 nan 0.000 0.383 377 G N 0.245 109.124 108.800 0.132 0.000 2.672 377 G HA2 -0.431 3.531 3.960 0.003 0.000 0.324 377 G HA3 -0.431 3.531 3.960 0.003 0.000 0.324 377 G C 0.922 175.890 174.900 0.113 0.000 1.286 377 G CA 0.785 45.940 45.100 0.092 0.000 1.004 377 G HN 0.680 nan 8.290 nan 0.000 0.548 378 S N 1.148 116.902 115.700 0.090 0.000 2.593 378 S HA 0.252 4.724 4.470 0.003 0.000 0.217 378 S C 1.039 175.694 174.600 0.091 0.000 0.966 378 S CA 1.010 59.258 58.200 0.080 0.000 0.914 378 S CB -0.003 63.229 63.200 0.053 0.000 0.776 378 S HN 0.851 nan 8.310 nan 0.000 0.523 379 T N 4.929 119.552 114.554 0.114 0.000 2.866 379 T HA 0.123 4.475 4.350 0.003 0.000 0.293 379 T C 0.410 175.187 174.700 0.128 0.000 1.005 379 T CA -0.288 61.859 62.100 0.079 0.000 1.162 379 T CB -0.242 68.670 68.868 0.073 0.000 0.968 379 T HN 0.240 nan 8.240 nan 0.000 0.530 380 L N 1.758 123.028 121.223 0.079 0.000 2.492 380 L HA 0.489 4.831 4.340 0.003 0.000 0.280 380 L C 1.264 178.286 176.870 0.252 0.000 1.240 380 L CA 0.073 54.994 54.840 0.134 0.000 0.831 380 L CB -0.166 41.908 42.059 0.025 0.000 1.100 380 L HN 0.587 nan 8.230 nan 0.000 0.505 381 G N 0.097 109.049 108.800 0.253 0.000 3.192 381 G HA2 0.200 4.162 3.960 0.003 0.000 0.239 381 G HA3 0.200 4.162 3.960 0.003 0.000 0.239 381 G C -0.177 174.827 174.900 0.173 0.000 1.084 381 G CA 0.243 45.419 45.100 0.128 0.000 0.784 381 G HN 0.799 nan 8.290 nan 0.000 0.540 382 Y N -1.087 119.356 120.300 0.239 0.000 2.468 382 Y HA 0.838 5.390 4.550 0.003 0.000 0.342 382 Y C -0.677 175.400 175.900 0.294 0.000 1.021 382 Y CA -2.255 55.983 58.100 0.229 0.000 1.079 382 Y CB 1.783 40.326 38.460 0.138 0.000 1.226 382 Y HN -0.128 nan 8.280 nan 0.000 0.460 383 E N 3.465 123.825 120.200 0.267 0.000 2.304 383 E HA 0.377 4.729 4.350 0.003 0.000 0.277 383 E C -2.819 173.875 176.600 0.156 0.000 0.898 383 E CA -1.958 54.541 56.400 0.165 0.000 0.764 383 E CB 2.129 31.925 29.700 0.160 0.000 1.216 383 E HN 0.807 nan 8.360 nan 0.000 0.419 384 P HA 0.251 nan 4.420 nan 0.000 0.269 384 P C -0.945 176.454 177.300 0.165 0.000 1.209 384 P CA -0.101 63.072 63.100 0.122 0.000 0.776 384 P CB 0.489 32.249 31.700 0.100 0.000 0.876 385 N N -0.987 117.745 118.700 0.053 0.000 2.610 385 N HA 0.231 4.972 4.740 0.003 0.000 0.264 385 N C -0.299 175.221 175.510 0.015 0.000 1.348 385 N CA -0.830 52.224 53.050 0.008 0.000 0.819 385 N CB 0.496 38.727 38.487 -0.426 0.000 1.521 385 N HN 0.257 nan 8.380 nan 0.000 0.497 386 D N -1.058 119.370 120.400 0.047 0.000 2.324 386 D HA -0.042 4.599 4.640 0.003 0.000 0.235 386 D C 0.249 176.543 176.300 -0.010 0.000 1.095 386 D CA 0.635 54.654 54.000 0.031 0.000 0.871 386 D CB -0.040 40.794 40.800 0.058 0.000 0.906 386 D HN 0.688 nan 8.370 nan 0.000 0.522 387 Q N -0.712 119.056 119.800 -0.053 0.000 2.217 387 Q HA 0.260 4.601 4.340 0.003 0.000 0.217 387 Q C 1.071 177.016 176.000 -0.093 0.000 0.844 387 Q CA 0.218 55.974 55.803 -0.079 0.000 0.957 387 Q CB 0.845 29.513 28.738 -0.117 0.000 1.127 387 Q HN 0.370 nan 8.270 nan 0.000 0.503 388 G N 2.012 110.767 108.800 -0.075 0.000 2.203 388 G HA2 -0.321 3.640 3.960 0.003 0.000 0.263 388 G HA3 -0.321 3.640 3.960 0.003 0.000 0.263 388 G C 0.123 174.959 174.900 -0.106 0.000 1.012 388 G CA 0.529 45.590 45.100 -0.065 0.000 0.749 388 G HN 0.277 nan 8.290 nan 0.000 0.512 389 Q N -1.030 118.660 119.800 -0.184 0.000 2.394 389 Q HA 0.374 4.715 4.340 0.003 0.000 0.248 389 Q C 0.871 176.763 176.000 -0.180 0.000 0.992 389 Q CA 0.253 55.839 55.803 -0.362 0.000 0.888 389 Q CB -0.040 28.328 28.738 -0.616 0.000 1.257 389 Q HN 0.748 nan 8.270 nan 0.000 0.462 390 W N 0.443 121.747 121.300 0.006 0.000 5.361 390 W HA -0.228 4.433 4.660 0.003 0.000 0.385 390 W C -0.124 176.377 176.519 -0.030 0.000 1.458 390 W CA -0.101 57.233 57.345 -0.019 0.000 0.922 390 W CB -2.008 27.438 29.460 -0.022 0.000 2.606 390 W HN 0.678 nan 8.180 nan 0.000 1.450 391 A N 1.454 124.355 122.820 0.135 0.000 2.451 391 A HA 0.374 4.696 4.320 0.003 0.000 0.266 391 A C 0.947 178.581 177.584 0.084 0.000 1.119 391 A CA 0.113 52.197 52.037 0.079 0.000 0.786 391 A CB 0.201 19.223 19.000 0.035 0.000 1.061 391 A HN 0.452 nan 8.150 nan 0.000 0.503 392 E N 2.673 122.911 120.200 0.064 0.000 2.409 392 E HA 0.117 4.468 4.350 0.003 0.000 0.257 392 E C -0.754 175.895 176.600 0.081 0.000 1.150 392 E CA -0.144 56.292 56.400 0.059 0.000 0.942 392 E CB 0.405 30.128 29.700 0.039 0.000 0.979 392 E HN 0.653 nan 8.360 nan 0.000 0.447 393 Q N 1.132 121.000 119.800 0.114 0.000 2.700 393 Q HA 0.178 4.520 4.340 0.003 0.000 0.249 393 Q C -1.909 174.214 176.000 0.204 0.000 1.033 393 Q CA -1.797 54.122 55.803 0.193 0.000 0.804 393 Q CB 1.490 30.407 28.738 0.297 0.000 1.164 393 Q HN 0.517 nan 8.270 nan 0.000 0.500 394 P HA -0.141 nan 4.420 nan 0.000 0.225 394 P C 0.191 177.506 177.300 0.025 0.000 1.148 394 P CA 0.900 64.039 63.100 0.065 0.000 0.779 394 P CB 0.447 32.166 31.700 0.032 0.000 0.780 395 D N -0.764 119.616 120.400 -0.032 0.000 2.309 395 D HA -0.100 4.542 4.640 0.003 0.000 0.212 395 D C 1.062 177.172 176.300 -0.315 0.000 0.968 395 D CA 0.891 54.766 54.000 -0.209 0.000 0.882 395 D CB -0.650 39.939 40.800 -0.353 0.000 0.918 395 D HN 0.285 nan 8.370 nan 0.000 0.503 396 F N 0.109 120.055 119.950 -0.008 0.000 2.693 396 F HA 0.145 4.674 4.527 0.002 0.000 0.303 396 F C 1.225 177.019 175.800 -0.010 0.000 1.097 396 F CA -0.293 57.700 58.000 -0.011 0.000 1.330 396 F CB 0.125 39.120 39.000 -0.008 0.000 1.067 396 F HN -0.313 nan 8.300 nan 0.000 0.565 397 S N 1.362 117.129 115.700 0.111 0.000 2.537 397 S HA 0.019 4.490 4.470 0.003 0.000 0.286 397 S C 0.356 174.982 174.600 0.043 0.000 1.299 397 S CA -0.378 57.864 58.200 0.071 0.000 1.067 397 S CB 0.172 63.396 63.200 0.040 0.000 0.864 397 S HN 0.327 nan 8.310 nan 0.000 0.494 398 E N 4.543 124.769 120.200 0.043 0.000 2.374 398 E HA 0.309 4.661 4.350 0.003 0.000 0.260 398 E C -2.007 174.598 176.600 0.008 0.000 1.101 398 E CA -1.765 54.648 56.400 0.022 0.000 0.907 398 E CB 0.230 29.943 29.700 0.023 0.000 1.014 398 E HN 0.558 nan 8.360 nan 0.000 0.427 399 P HA 0.183 nan 4.420 nan 0.000 0.274 399 P C -2.508 174.789 177.300 -0.006 0.000 1.231 399 P CA -1.209 61.881 63.100 -0.018 0.000 0.790 399 P CB -0.199 31.475 31.700 -0.043 0.000 0.951 400 P HA 0.149 nan 4.420 nan 0.000 0.270 400 P C -0.721 176.586 177.300 0.011 0.000 1.227 400 P CA -0.073 63.033 63.100 0.011 0.000 0.788 400 P CB 0.223 31.928 31.700 0.008 0.000 0.926 401 L N 1.767 123.008 121.223 0.030 0.000 2.319 401 L HA 0.345 4.687 4.340 0.003 0.000 0.281 401 L C -0.323 176.573 176.870 0.042 0.000 1.005 401 L CA -0.320 54.548 54.840 0.047 0.000 0.828 401 L CB 0.439 42.548 42.059 0.084 0.000 1.227 401 L HN 0.271 nan 8.230 nan 0.000 0.415 402 N N 4.134 122.859 118.700 0.041 0.000 2.454 402 N HA 0.328 5.070 4.740 0.003 0.000 0.254 402 N C -1.072 174.457 175.510 0.032 0.000 1.228 402 N CA -0.204 52.866 53.050 0.032 0.000 0.900 402 N CB 0.517 39.022 38.487 0.029 0.000 1.089 402 N HN 0.313 nan 8.380 nan 0.000 0.449 403 L N 1.282 122.515 121.223 0.017 0.000 2.333 403 L HA 0.515 4.857 4.340 0.003 0.000 0.263 403 L C -0.727 176.140 176.870 -0.005 0.000 1.014 403 L CA -0.455 54.388 54.840 0.004 0.000 0.820 403 L CB 1.918 43.982 42.059 0.009 0.000 1.352 403 L HN 0.575 nan 8.230 nan 0.000 0.421 404 D N 0.313 120.696 120.400 -0.027 0.000 2.966 404 D HA 0.618 5.259 4.640 0.003 0.000 0.222 404 D C -0.481 175.780 176.300 -0.066 0.000 1.292 404 D CA 0.691 54.670 54.000 -0.034 0.000 0.907 404 D CB 1.699 42.474 40.800 -0.042 0.000 1.621 404 D HN 0.876 nan 8.370 nan 0.000 0.557 405 G N 1.212 110.006 108.800 -0.010 0.000 2.497 405 G HA2 0.525 4.487 3.960 0.003 0.000 0.686 405 G HA3 0.525 4.487 3.960 0.003 0.000 0.686 405 G C -0.469 174.533 174.900 0.170 0.000 1.288 405 G CA -0.332 44.793 45.100 0.040 0.000 0.899 405 G HN 0.868 nan 8.290 nan 0.000 0.608 406 A N -0.056 122.975 122.820 0.352 0.000 2.332 406 A HA 0.896 5.218 4.320 0.003 0.000 0.258 406 A C 1.153 178.946 177.584 0.347 0.000 1.087 406 A CA 0.982 53.197 52.037 0.296 0.000 0.802 406 A CB 0.452 19.592 19.000 0.234 0.000 1.042 406 A HN 2.580 nan 8.150 nan 0.000 0.489 407 A N 0.444 123.365 122.820 0.167 0.000 2.484 407 A HA 0.548 4.870 4.320 0.003 0.000 0.268 407 A C 0.480 178.055 177.584 -0.014 0.000 1.114 407 A CA 0.697 52.792 52.037 0.097 0.000 0.780 407 A CB -0.916 18.101 19.000 0.029 0.000 1.061 407 A HN 2.427 nan 8.150 nan 0.000 0.505 408 A N 2.812 125.568 122.820 -0.105 0.000 2.601 408 A HA 0.605 4.927 4.320 0.003 0.000 0.291 408 A C -0.725 176.590 177.584 -0.448 0.000 1.075 408 A CA -0.767 51.022 52.037 -0.414 0.000 0.671 408 A CB 0.534 18.981 19.000 -0.921 0.000 1.277 408 A HN 0.810 nan 8.150 nan 0.000 0.417 409 H N 0.673 119.562 119.070 -0.302 0.000 2.982 409 H HA 0.156 4.714 4.556 0.003 0.000 0.261 409 H C -1.055 174.180 175.328 -0.154 0.000 1.603 409 H CA 0.262 56.230 56.048 -0.133 0.000 1.398 409 H CB -0.043 29.673 29.762 -0.077 0.000 1.693 409 H HN 0.536 nan 8.280 nan 0.000 0.535 410 W N 2.089 123.443 121.300 0.090 0.000 2.303 410 W HA -0.016 4.645 4.660 0.003 0.000 0.318 410 W C 0.869 177.443 176.519 0.092 0.000 1.362 410 W CA -0.377 57.014 57.345 0.076 0.000 1.234 410 W CB 0.352 29.843 29.460 0.053 0.000 1.248 410 W HN 0.430 nan 8.180 nan 0.000 0.546 411 D N 2.976 123.544 120.400 0.280 0.000 2.342 411 D HA -0.068 4.573 4.640 0.003 0.000 0.260 411 D C 1.373 177.760 176.300 0.145 0.000 1.278 411 D CA 0.092 54.176 54.000 0.139 0.000 0.910 411 D CB 0.372 41.212 40.800 0.067 0.000 1.079 411 D HN 0.560 nan 8.370 nan 0.000 0.496 412 H N 3.316 122.490 119.070 0.174 0.000 2.489 412 H HA -0.010 4.547 4.556 0.003 0.000 0.293 412 H C 1.122 176.531 175.328 0.136 0.000 1.066 412 H CA 1.147 57.285 56.048 0.150 0.000 1.305 412 H CB -0.018 29.832 29.762 0.148 0.000 1.386 412 H HN 0.295 nan 8.280 nan 0.000 0.551 413 R N 0.694 121.071 120.500 -0.205 0.000 2.357 413 R HA -0.066 4.275 4.340 0.003 0.000 0.202 413 R C 1.638 177.959 176.300 0.035 0.000 1.047 413 R CA 0.777 56.875 56.100 -0.002 0.000 1.034 413 R CB -0.153 30.131 30.300 -0.026 0.000 0.875 413 R HN 0.612 nan 8.270 nan 0.000 0.473 414 E N 1.530 121.760 120.200 0.049 0.000 2.160 414 E HA -0.179 4.173 4.350 0.003 0.000 0.195 414 E C 0.111 176.714 176.600 0.005 0.000 0.991 414 E CA 0.892 57.320 56.400 0.047 0.000 0.810 414 E CB 0.122 29.870 29.700 0.081 0.000 0.742 414 E HN 0.084 nan 8.360 nan 0.000 0.466 415 D N 0.484 120.884 120.400 -0.000 0.000 2.428 415 D HA 0.028 4.670 4.640 0.003 0.000 0.221 415 D C -0.405 175.729 176.300 -0.276 0.000 1.123 415 D CA 0.036 53.990 54.000 -0.076 0.000 0.869 415 D CB 0.904 41.694 40.800 -0.017 0.000 1.032 415 D HN 0.062 nan 8.370 nan 0.000 0.506 416 E N 2.120 122.097 120.200 -0.371 0.000 2.444 416 E HA -0.013 4.339 4.350 0.003 0.000 0.191 416 E C -0.298 175.787 176.600 -0.858 0.000 1.041 416 E CA -0.176 55.754 56.400 -0.783 0.000 0.883 416 E CB 0.420 29.936 29.700 -0.308 0.000 1.024 416 E HN 0.333 nan 8.360 nan 0.000 0.470 417 D N 0.180 120.262 120.400 -0.530 0.000 2.545 417 D HA -0.048 4.594 4.640 0.003 0.000 0.227 417 D C -0.115 175.963 176.300 -0.370 0.000 1.150 417 D CA 0.061 53.872 54.000 -0.316 0.000 1.046 417 D CB -0.135 40.591 40.800 -0.123 0.000 1.098 417 D HN 0.112 nan 8.370 nan 0.000 0.502 418 Y N 1.032 121.083 120.300 -0.415 0.000 2.497 418 Y HA 0.167 4.719 4.550 0.003 0.000 0.265 418 Y C 1.074 176.586 175.900 -0.645 0.000 1.111 418 Y CA -0.048 57.645 58.100 -0.678 0.000 1.288 418 Y CB -0.003 37.736 38.460 -1.200 0.000 1.082 418 Y HN 0.250 nan 8.280 nan 0.000 0.536 419 F N -1.841 118.182 119.950 0.122 0.000 2.740 419 F HA 0.099 4.628 4.527 0.003 0.000 0.304 419 F C 2.364 178.178 175.800 0.024 0.000 1.098 419 F CA 0.313 58.358 58.000 0.075 0.000 1.258 419 F CB -0.691 38.365 39.000 0.093 0.000 1.061 419 F HN -0.060 nan 8.300 nan 0.000 0.598 420 S N 0.235 116.020 115.700 0.141 0.000 2.368 420 S HA -0.206 4.265 4.470 0.003 0.000 0.224 420 S C 1.813 176.414 174.600 0.001 0.000 1.029 420 S CA 1.220 59.467 58.200 0.078 0.000 0.988 420 S CB -0.642 62.593 63.200 0.059 0.000 0.838 420 S HN 0.463 nan 8.310 nan 0.000 0.462 421 Q N 1.372 121.118 119.800 -0.089 0.000 2.079 421 Q HA 0.017 4.358 4.340 0.003 0.000 0.200 421 Q C -0.404 175.357 176.000 -0.398 0.000 0.974 421 Q CA 1.458 57.109 55.803 -0.253 0.000 0.840 421 Q CB -1.257 27.284 28.738 -0.329 0.000 0.898 421 Q HN 0.522 nan 8.270 nan 0.000 0.430 422 P HA -0.142 nan 4.420 nan 0.000 0.215 422 P C 1.314 178.674 177.300 0.101 0.000 1.153 422 P CA 1.830 64.878 63.100 -0.087 0.000 0.853 422 P CB -0.381 31.386 31.700 0.112 0.000 0.788 423 G N -0.003 108.874 108.800 0.128 0.000 2.446 423 G HA2 -0.260 3.702 3.960 0.003 0.000 0.217 423 G HA3 -0.260 3.702 3.960 0.003 0.000 0.217 423 G C 1.244 176.236 174.900 0.154 0.000 1.168 423 G CA 1.015 46.222 45.100 0.178 0.000 0.771 423 G HN 0.167 nan 8.290 nan 0.000 0.551 424 D N 0.185 120.620 120.400 0.059 0.000 2.104 424 D HA -0.119 4.523 4.640 0.003 0.000 0.194 424 D C 2.403 178.714 176.300 0.018 0.000 0.994 424 D CA 0.772 54.788 54.000 0.026 0.000 0.830 424 D CB -0.508 40.285 40.800 -0.013 0.000 0.959 424 D HN 0.224 nan 8.370 nan 0.000 0.452 425 L N 0.117 121.345 121.223 0.009 0.000 1.989 425 L HA -0.159 4.183 4.340 0.003 0.000 0.211 425 L C 2.218 179.093 176.870 0.009 0.000 1.071 425 L CA 1.500 56.349 54.840 0.015 0.000 0.749 425 L CB -0.825 41.261 42.059 0.045 0.000 0.890 425 L HN 0.008 nan 8.230 nan 0.000 0.431 426 F N 0.304 120.187 119.950 -0.112 0.000 2.095 426 F HA -0.094 4.435 4.527 0.003 0.000 0.298 426 F C 2.179 177.913 175.800 -0.111 0.000 1.104 426 F CA 1.802 59.691 58.000 -0.187 0.000 1.232 426 F CB -1.021 37.828 39.000 -0.251 0.000 0.987 426 F HN 0.126 nan 8.300 nan 0.000 0.475 427 G N 0.852 109.620 108.800 -0.053 0.000 2.450 427 G HA2 -0.222 3.740 3.960 0.003 0.000 0.220 427 G HA3 -0.222 3.740 3.960 0.003 0.000 0.220 427 G C 1.643 176.425 174.900 -0.197 0.000 1.130 427 G CA 0.866 45.886 45.100 -0.134 0.000 0.760 427 G HN 0.416 nan 8.290 nan 0.000 0.557 428 L N 0.007 121.137 121.223 -0.155 0.000 2.395 428 L HA 0.270 4.611 4.340 0.003 0.000 0.218 428 L C 1.468 178.235 176.870 -0.172 0.000 1.130 428 L CA 0.332 55.094 54.840 -0.131 0.000 0.826 428 L CB -0.415 41.594 42.059 -0.083 0.000 0.941 428 L HN 0.312 nan 8.230 nan 0.000 0.451 429 M N 0.295 119.736 119.600 -0.265 0.000 2.248 429 M HA 0.038 4.520 4.480 0.003 0.000 0.337 429 M C 1.011 177.154 176.300 -0.262 0.000 1.121 429 M CA 0.078 55.215 55.300 -0.272 0.000 1.155 429 M CB 0.720 33.098 32.600 -0.371 0.000 1.514 429 M HN 0.125 nan 8.290 nan 0.000 0.452 430 T N -0.218 114.224 114.554 -0.187 0.000 2.748 430 T HA 0.309 4.660 4.350 0.003 0.000 0.304 430 T C 1.222 175.811 174.700 -0.184 0.000 1.041 430 T CA -0.336 61.672 62.100 -0.153 0.000 1.033 430 T CB 0.798 69.605 68.868 -0.103 0.000 0.995 430 T HN 0.710 nan 8.240 nan 0.000 0.536 431 A N 0.290 123.031 122.820 -0.131 0.000 1.908 431 A HA -0.125 4.197 4.320 0.003 0.000 0.218 431 A C 2.293 179.812 177.584 -0.109 0.000 1.181 431 A CA 2.151 54.125 52.037 -0.106 0.000 0.627 431 A CB -1.229 17.745 19.000 -0.043 0.000 0.818 431 A HN 1.025 nan 8.150 nan 0.000 0.445 432 E N 0.137 120.284 120.200 -0.090 0.000 2.051 432 E HA -0.188 4.163 4.350 0.003 0.000 0.192 432 E C 1.927 178.458 176.600 -0.115 0.000 0.991 432 E CA 1.970 58.324 56.400 -0.077 0.000 0.799 432 E CB -0.241 29.427 29.700 -0.054 0.000 0.748 432 E HN 0.600 nan 8.360 nan 0.000 0.449 433 K N -0.254 120.061 120.400 -0.142 0.000 2.097 433 K HA -0.133 4.189 4.320 0.003 0.000 0.206 433 K C 2.408 178.848 176.600 -0.266 0.000 1.049 433 K CA 1.597 57.785 56.287 -0.165 0.000 0.933 433 K CB -0.057 32.352 32.500 -0.152 0.000 0.717 433 K HN 0.248 nan 8.250 nan 0.000 0.442 434 Q N -0.168 119.405 119.800 -0.379 0.000 2.079 434 Q HA -0.095 4.246 4.340 0.003 0.000 0.200 434 Q C 2.199 177.630 176.000 -0.948 0.000 0.974 434 Q CA 1.315 56.715 55.803 -0.672 0.000 0.840 434 Q CB -0.116 28.243 28.738 -0.631 0.000 0.898 434 Q HN 0.327 nan 8.270 nan 0.000 0.430 435 A N 1.085 123.641 122.820 -0.440 0.000 1.902 435 A HA -0.172 4.149 4.320 0.003 0.000 0.217 435 A C 2.062 179.600 177.584 -0.078 0.000 1.181 435 A CA 1.077 53.025 52.037 -0.149 0.000 0.623 435 A CB -0.644 18.361 19.000 0.008 0.000 0.818 435 A HN 0.276 nan 8.150 nan 0.000 0.443 436 I N -0.448 120.063 120.570 -0.097 0.000 2.091 436 I HA -0.300 3.872 4.170 0.003 0.000 0.239 436 I C 2.519 178.632 176.117 -0.007 0.000 1.061 436 I CA 1.481 62.762 61.300 -0.031 0.000 1.317 436 I CB -0.388 37.591 38.000 -0.035 0.000 1.031 436 I HN 0.384 nan 8.210 nan 0.000 0.401 437 L N 0.416 121.586 121.223 -0.088 0.000 2.010 437 L HA -0.319 4.023 4.340 0.003 0.000 0.219 437 L C 2.680 179.658 176.870 0.180 0.000 1.077 437 L CA 2.133 56.969 54.840 -0.006 0.000 0.773 437 L CB -0.460 41.510 42.059 -0.149 0.000 0.892 437 L HN 0.194 nan 8.230 nan 0.000 0.436 438 F N -0.066 119.977 119.950 0.155 0.000 2.102 438 F HA -0.304 4.225 4.527 0.003 0.000 0.298 438 F C 2.443 178.304 175.800 0.102 0.000 1.105 438 F CA 1.114 59.203 58.000 0.148 0.000 1.239 438 F CB -0.385 38.688 39.000 0.122 0.000 0.991 438 F HN 0.290 nan 8.300 nan 0.000 0.474 439 D N 0.260 120.824 120.400 0.274 0.000 2.097 439 D HA -0.173 4.468 4.640 0.003 0.000 0.197 439 D C 1.593 177.977 176.300 0.140 0.000 0.984 439 D CA 1.812 55.910 54.000 0.164 0.000 0.826 439 D CB -0.418 40.453 40.800 0.118 0.000 0.973 439 D HN 0.216 nan 8.370 nan 0.000 0.460 440 N N -1.010 117.780 118.700 0.149 0.000 2.036 440 N HA -0.163 4.578 4.740 0.003 0.000 0.195 440 N C 1.662 177.291 175.510 0.199 0.000 1.037 440 N CA 1.794 54.941 53.050 0.162 0.000 0.855 440 N CB -0.183 38.404 38.487 0.168 0.000 1.033 440 N HN 0.176 nan 8.380 nan 0.000 0.423 441 T N 0.779 115.479 114.554 0.243 0.000 2.684 441 T HA -0.149 4.203 4.350 0.003 0.000 0.267 441 T C 2.091 176.833 174.700 0.070 0.000 1.036 441 T CA 1.338 63.583 62.100 0.241 0.000 1.148 441 T CB -0.444 68.633 68.868 0.349 0.000 0.863 441 T HN 0.358 nan 8.240 nan 0.000 0.436 442 A N 1.702 124.562 122.820 0.066 0.000 1.908 442 A HA -0.133 4.189 4.320 0.003 0.000 0.218 442 A C 2.395 179.958 177.584 -0.034 0.000 1.181 442 A CA 1.495 53.517 52.037 -0.025 0.000 0.627 442 A CB -0.487 18.503 19.000 -0.017 0.000 0.818 442 A HN 0.420 nan 8.150 nan 0.000 0.445 443 R N -0.721 119.793 120.500 0.023 0.000 2.115 443 R HA -0.017 4.324 4.340 0.003 0.000 0.226 443 R C 2.002 178.327 176.300 0.042 0.000 1.100 443 R CA 0.925 57.041 56.100 0.027 0.000 0.980 443 R CB -0.320 30.010 30.300 0.050 0.000 0.875 443 R HN 0.562 nan 8.270 nan 0.000 0.445 444 N N 0.934 119.687 118.700 0.088 0.000 2.223 444 N HA -0.104 4.638 4.740 0.003 0.000 0.185 444 N C 1.335 176.851 175.510 0.010 0.000 1.016 444 N CA 0.922 54.075 53.050 0.172 0.000 0.863 444 N CB 0.145 38.874 38.487 0.404 0.000 0.983 444 N HN 0.201 nan 8.380 nan 0.000 0.429 445 L N 0.659 121.746 121.223 -0.228 0.000 2.599 445 L HA 0.071 4.413 4.340 0.003 0.000 0.230 445 L C 0.833 177.591 176.870 -0.187 0.000 1.141 445 L CA -0.147 54.441 54.840 -0.420 0.000 0.877 445 L CB -0.366 41.400 42.059 -0.490 0.000 1.009 445 L HN 0.109 nan 8.230 nan 0.000 0.447 446 N N 0.599 119.246 118.700 -0.089 0.000 2.468 446 N HA 0.025 4.767 4.740 0.003 0.000 0.265 446 N C 1.126 176.620 175.510 -0.026 0.000 1.199 446 N CA 0.987 54.008 53.050 -0.048 0.000 0.928 446 N CB 0.820 39.294 38.487 -0.022 0.000 1.059 446 N HN 0.291 nan 8.380 nan 0.000 0.467 447 G N 2.032 110.819 108.800 -0.021 0.000 2.234 447 G HA2 -0.275 3.687 3.960 0.003 0.000 0.260 447 G HA3 -0.275 3.687 3.960 0.003 0.000 0.260 447 G C 0.147 175.046 174.900 -0.001 0.000 0.987 447 G CA 0.241 45.337 45.100 -0.005 0.000 0.625 447 G HN 0.554 nan 8.290 nan 0.000 0.532 448 V N 2.926 122.829 119.914 -0.018 0.000 2.572 448 V HA 0.344 4.466 4.120 0.003 0.000 0.291 448 V C -1.232 174.866 176.094 0.006 0.000 1.039 448 V CA -0.920 61.376 62.300 -0.007 0.000 1.055 448 V CB 1.004 32.786 31.823 -0.069 0.000 0.969 448 V HN 0.162 nan 8.190 nan 0.000 0.482 449 P HA -0.005 nan 4.420 nan 0.000 0.264 449 P C 0.790 178.105 177.300 0.026 0.000 1.183 449 P CA 0.098 63.211 63.100 0.022 0.000 0.763 449 P CB 0.472 32.185 31.700 0.021 0.000 0.807 450 K N 4.155 124.574 120.400 0.031 0.000 2.089 450 K HA -0.257 4.064 4.320 0.003 0.000 0.210 450 K C 1.685 178.255 176.600 -0.050 0.000 1.048 450 K CA 1.763 58.071 56.287 0.034 0.000 0.926 450 K CB -0.082 32.434 32.500 0.026 0.000 0.714 450 K HN 0.507 nan 8.250 nan 0.000 0.448 451 E N 1.033 121.204 120.200 -0.049 0.000 2.204 451 E HA -0.202 4.149 4.350 0.003 0.000 0.195 451 E C 1.962 178.540 176.600 -0.036 0.000 0.990 451 E CA 1.325 57.684 56.400 -0.068 0.000 0.821 451 E CB -0.409 29.264 29.700 -0.046 0.000 0.750 451 E HN 0.541 nan 8.360 nan 0.000 0.477 452 I N 1.003 121.578 120.570 0.009 0.000 2.286 452 I HA -0.235 3.937 4.170 0.003 0.000 0.245 452 I C 2.838 178.989 176.117 0.056 0.000 1.104 452 I CA 1.039 62.373 61.300 0.058 0.000 1.397 452 I CB -0.311 37.747 38.000 0.096 0.000 1.072 452 I HN 0.047 nan 8.210 nan 0.000 0.417 453 Q N 0.245 120.061 119.800 0.026 0.000 2.077 453 Q HA -0.258 4.084 4.340 0.003 0.000 0.206 453 Q C 2.273 178.308 176.000 0.059 0.000 0.989 453 Q CA 1.528 57.360 55.803 0.049 0.000 0.853 453 Q CB -0.229 28.616 28.738 0.178 0.000 0.907 453 Q HN 0.324 nan 8.270 nan 0.000 0.418 454 L N 0.719 121.893 121.223 -0.083 0.000 2.093 454 L HA -0.140 4.202 4.340 0.003 0.000 0.208 454 L C 2.243 179.019 176.870 -0.157 0.000 1.085 454 L CA 1.586 56.292 54.840 -0.224 0.000 0.755 454 L CB -0.566 41.270 42.059 -0.373 0.000 0.904 454 L HN 0.129 nan 8.230 nan 0.000 0.435 455 R N -1.316 119.118 120.500 -0.108 0.000 2.091 455 R HA -0.237 4.105 4.340 0.003 0.000 0.238 455 R C 2.242 178.412 176.300 -0.217 0.000 1.136 455 R CA 1.723 57.725 56.100 -0.163 0.000 0.959 455 R CB -0.674 29.609 30.300 -0.029 0.000 0.856 455 R HN 0.466 nan 8.270 nan 0.000 0.437 456 H N 0.380 119.409 119.070 -0.067 0.000 2.326 456 H HA -0.038 4.520 4.556 0.003 0.000 0.301 456 H C 1.962 177.236 175.328 -0.091 0.000 1.081 456 H CA 1.670 57.743 56.048 0.042 0.000 1.334 456 H CB -0.149 29.677 29.762 0.107 0.000 1.385 456 H HN -0.106 nan 8.280 nan 0.000 0.504 457 V N -0.124 119.651 119.914 -0.232 0.000 2.407 457 V HA -0.262 3.860 4.120 0.003 0.000 0.248 457 V C 2.404 178.288 176.094 -0.350 0.000 1.055 457 V CA 2.177 64.243 62.300 -0.390 0.000 1.049 457 V CB -0.841 30.764 31.823 -0.364 0.000 0.662 457 V HN 0.535 nan 8.190 nan 0.000 0.455 458 T N -1.075 113.326 114.554 -0.255 0.000 2.684 458 T HA -0.212 4.140 4.350 0.003 0.000 0.267 458 T C 1.844 176.410 174.700 -0.223 0.000 1.036 458 T CA 1.765 63.749 62.100 -0.193 0.000 1.148 458 T CB -0.377 68.348 68.868 -0.239 0.000 0.863 458 T HN 0.531 nan 8.240 nan 0.000 0.436 459 H N 0.338 119.296 119.070 -0.186 0.000 2.353 459 H HA -0.013 4.544 4.556 0.003 0.000 0.300 459 H C 2.728 177.851 175.328 -0.341 0.000 1.090 459 H CA 0.807 56.736 56.048 -0.197 0.000 1.327 459 H CB -1.046 28.791 29.762 0.126 0.000 1.383 459 H HN 0.397 nan 8.280 nan 0.000 0.508 460 C N 0.470 119.512 119.300 -0.429 0.000 2.413 460 C HA -0.182 4.280 4.460 0.003 0.000 0.276 460 C C 2.649 177.353 174.990 -0.475 0.000 1.248 460 C CA 0.732 59.253 59.018 -0.828 0.000 1.742 460 C CB -1.381 25.541 27.740 -1.363 0.000 2.017 460 C HN 0.537 nan 8.230 nan 0.000 0.481 461 Y N 1.959 122.026 120.300 -0.389 0.000 2.165 461 Y HA -0.226 4.325 4.550 0.003 0.000 0.286 461 Y C 2.380 178.161 175.900 -0.199 0.000 1.155 461 Y CA 1.832 59.811 58.100 -0.201 0.000 1.164 461 Y CB -0.280 38.158 38.460 -0.036 0.000 0.978 461 Y HN 0.298 nan 8.280 nan 0.000 0.513 462 K N -0.444 119.837 120.400 -0.198 0.000 2.211 462 K HA -0.080 4.242 4.320 0.003 0.000 0.203 462 K C 2.280 178.740 176.600 -0.234 0.000 1.050 462 K CA 0.788 56.861 56.287 -0.356 0.000 0.945 462 K CB -0.236 31.716 32.500 -0.914 0.000 0.732 462 K HN 0.378 nan 8.250 nan 0.000 0.451 463 A N 1.119 123.858 122.820 -0.135 0.000 1.873 463 A HA -0.120 4.202 4.320 0.003 0.000 0.215 463 A C 0.767 178.361 177.584 0.017 0.000 1.186 463 A CA 1.262 53.345 52.037 0.076 0.000 0.616 463 A CB 0.113 19.228 19.000 0.192 0.000 0.823 463 A HN 0.289 nan 8.150 nan 0.000 0.442 464 D N -3.463 116.874 120.400 -0.106 0.000 2.795 464 D HA 0.238 4.880 4.640 0.003 0.000 0.206 464 D C -2.684 173.427 176.300 -0.315 0.000 1.278 464 D CA -1.138 52.785 54.000 -0.129 0.000 0.839 464 D CB 1.400 42.220 40.800 0.034 0.000 1.700 464 D HN -0.194 nan 8.370 nan 0.000 0.549 465 P HA -0.110 nan 4.420 nan 0.000 0.217 465 P C 1.082 178.263 177.300 -0.199 0.000 1.148 465 P CA 1.643 64.313 63.100 -0.716 0.000 0.828 465 P CB 0.279 31.648 31.700 -0.552 0.000 0.783 466 A N -1.814 120.986 122.820 -0.033 0.000 2.015 466 A HA -0.218 4.104 4.320 0.003 0.000 0.219 466 A C 2.196 179.821 177.584 0.069 0.000 1.163 466 A CA 1.141 53.265 52.037 0.145 0.000 0.646 466 A CB -1.643 17.600 19.000 0.406 0.000 0.806 466 A HN 0.133 nan 8.150 nan 0.000 0.448 467 Y N 0.777 120.760 120.300 -0.529 0.000 2.184 467 Y HA 0.034 4.586 4.550 0.003 0.000 0.290 467 Y C 2.414 178.111 175.900 -0.339 0.000 1.129 467 Y CA 0.986 58.652 58.100 -0.723 0.000 1.144 467 Y CB -1.154 36.532 38.460 -1.290 0.000 0.995 467 Y HN 0.216 nan 8.280 nan 0.000 0.513 468 G N 0.012 108.672 108.800 -0.234 0.000 2.446 468 G HA2 -0.355 3.607 3.960 0.003 0.000 0.217 468 G HA3 -0.355 3.607 3.960 0.003 0.000 0.217 468 G C 1.637 176.373 174.900 -0.274 0.000 1.168 468 G CA 1.028 45.979 45.100 -0.249 0.000 0.771 468 G HN 0.522 nan 8.290 nan 0.000 0.551 469 E N 0.183 120.381 120.200 -0.004 0.000 2.110 469 E HA -0.029 4.323 4.350 0.003 0.000 0.193 469 E C 2.635 179.078 176.600 -0.261 0.000 0.988 469 E CA 1.104 57.523 56.400 0.031 0.000 0.804 469 E CB -0.586 29.205 29.700 0.151 0.000 0.745 469 E HN 0.318 nan 8.360 nan 0.000 0.458 470 G N 0.842 109.292 108.800 -0.584 0.000 2.440 470 G HA2 -0.242 3.720 3.960 0.003 0.000 0.218 470 G HA3 -0.242 3.720 3.960 0.003 0.000 0.218 470 G C 1.534 175.874 174.900 -0.932 0.000 1.154 470 G CA 1.101 45.371 45.100 -1.383 0.000 0.767 470 G HN 0.275 nan 8.290 nan 0.000 0.552 471 I N 0.900 121.127 120.570 -0.572 0.000 2.400 471 I HA 0.069 4.240 4.170 0.003 0.000 0.248 471 I C 3.086 179.007 176.117 -0.327 0.000 1.109 471 I CA 0.768 61.899 61.300 -0.280 0.000 1.425 471 I CB -0.485 37.432 38.000 -0.138 0.000 1.094 471 I HN 0.195 nan 8.210 nan 0.000 0.425 472 G N 1.197 109.756 108.800 -0.401 0.000 2.476 472 G HA2 -0.266 3.696 3.960 0.003 0.000 0.218 472 G HA3 -0.266 3.696 3.960 0.003 0.000 0.218 472 G C 1.726 176.496 174.900 -0.218 0.000 1.164 472 G CA 0.828 45.722 45.100 -0.343 0.000 0.768 472 G HN 0.289 nan 8.290 nan 0.000 0.560 473 K N -0.242 120.068 120.400 -0.150 0.000 2.063 473 K HA 0.035 4.357 4.320 0.003 0.000 0.208 473 K C 2.521 179.029 176.600 -0.154 0.000 1.048 473 K CA 0.919 57.142 56.287 -0.106 0.000 0.928 473 K CB -0.280 32.169 32.500 -0.085 0.000 0.713 473 K HN 0.278 nan 8.250 nan 0.000 0.442 474 L N 0.601 121.711 121.223 -0.188 0.000 2.141 474 L HA -0.141 4.200 4.340 0.003 0.000 0.209 474 L C 2.024 178.750 176.870 -0.240 0.000 1.094 474 L CA 0.890 55.633 54.840 -0.161 0.000 0.763 474 L CB -0.214 41.780 42.059 -0.108 0.000 0.908 474 L HN 0.188 nan 8.230 nan 0.000 0.437 475 L N -0.595 120.378 121.223 -0.418 0.000 2.492 475 L HA 0.133 4.475 4.340 0.003 0.000 0.223 475 L C 1.307 177.766 176.870 -0.685 0.000 1.132 475 L CA 0.536 54.986 54.840 -0.649 0.000 0.850 475 L CB -0.383 41.017 42.059 -1.098 0.000 0.966 475 L HN 0.475 nan 8.230 nan 0.000 0.454 476 G N 0.199 108.731 108.800 -0.447 0.000 2.149 476 G HA2 -0.275 3.687 3.960 0.003 0.000 0.235 476 G HA3 -0.275 3.687 3.960 0.003 0.000 0.235 476 G C 0.055 174.935 174.900 -0.033 0.000 1.018 476 G CA -0.454 44.525 45.100 -0.202 0.000 0.728 476 G HN 0.240 nan 8.290 nan 0.000 0.508 477 F N 0.558 120.523 119.950 0.026 0.000 2.379 477 F HA 0.396 4.925 4.527 0.003 0.000 0.332 477 F C 0.747 176.613 175.800 0.109 0.000 1.096 477 F CA -1.325 56.723 58.000 0.079 0.000 1.105 477 F CB 0.883 39.969 39.000 0.143 0.000 1.189 477 F HN -0.060 nan 8.300 nan 0.000 0.515 478 D N 1.902 122.447 120.400 0.242 0.000 2.341 478 D HA 0.049 4.691 4.640 0.003 0.000 0.245 478 D C 1.127 177.379 176.300 -0.080 0.000 1.106 478 D CA 0.065 54.105 54.000 0.067 0.000 0.905 478 D CB 1.460 42.254 40.800 -0.011 0.000 1.202 478 D HN 0.522 nan 8.370 nan 0.000 0.426 479 I N 1.576 122.005 120.570 -0.235 0.000 2.264 479 I HA -0.320 3.852 4.170 0.003 0.000 0.248 479 I C 2.103 177.729 176.117 -0.819 0.000 1.111 479 I CA 1.412 62.298 61.300 -0.690 0.000 1.382 479 I CB 0.062 37.859 38.000 -0.338 0.000 1.060 479 I HN 0.367 nan 8.210 nan 0.000 0.418 480 S N -0.168 115.275 115.700 -0.429 0.000 2.442 480 S HA -0.197 4.275 4.470 0.003 0.000 0.236 480 S C 1.646 176.036 174.600 -0.351 0.000 1.007 480 S CA 1.263 59.258 58.200 -0.342 0.000 0.965 480 S CB -0.659 62.421 63.200 -0.200 0.000 0.773 480 S HN 0.630 nan 8.310 nan 0.000 0.504 481 E N 0.318 120.308 120.200 -0.350 0.000 2.358 481 E HA -0.043 4.309 4.350 0.003 0.000 0.195 481 E C 0.782 177.256 176.600 -0.209 0.000 1.010 481 E CA 1.025 57.283 56.400 -0.236 0.000 0.856 481 E CB -0.110 29.496 29.700 -0.157 0.000 0.795 481 E HN 1.069 nan 8.360 nan 0.000 0.504 482 Y N -1.766 118.355 120.300 -0.298 0.000 2.825 482 Y HA 0.291 4.843 4.550 0.003 0.000 0.259 482 Y C 0.734 176.268 175.900 -0.609 0.000 1.113 482 Y CA -0.540 57.343 58.100 -0.361 0.000 1.241 482 Y CB -0.622 37.671 38.460 -0.278 0.000 1.331 482 Y HN -0.102 nan 8.280 nan 0.000 0.570 483 N N 0.047 118.239 118.700 -0.846 0.000 2.280 483 N HA 0.161 4.902 4.740 0.003 0.000 0.192 483 N C -0.135 175.071 175.510 -0.507 0.000 1.109 483 N CA 0.240 52.608 53.050 -1.135 0.000 0.855 483 N CB 0.046 37.942 38.487 -0.986 0.000 0.974 483 N HN 0.172 nan 8.380 nan 0.000 0.482 484 S N 0.000 115.509 115.700 -0.318 0.000 2.498 484 S HA 0.000 4.472 4.470 0.003 0.000 0.327 484 S CA 0.000 58.105 58.200 -0.159 0.000 1.107 484 S CB 0.000 63.121 63.200 -0.132 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517