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 1wns_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILDTDYITE DGKPVIRIFK KENGEFKIEY DRTFEPYFYA LLKDDSAIEE DATA SEQUENCE VKKITAERHG TVVTVKRVEK VQKKFLGRPV EVWKLYFTHP QDVPAIRDKI DATA SEQUENCE REHPAVIDIY EYDIPFAKRY LIDKGLVPME GDEELKMLAF DIETLYHEGE DATA SEQUENCE EFAEGPILMI SYADEEGARV ITWKNVDLPY VDVVSTEREM IKRFLRVVKE DATA SEQUENCE KDPDVLITYN GDNFDFAYLK KRCEKLGINF ALGRDGSEPK IQRMGDRFAV DATA SEQUENCE EVKGRIHFDL YPVIRRTINL PTYTLEAVYE AVFGQPKEKV YAEEITTAWE DATA SEQUENCE TGENLERVAR YSMEDAKVTY ELGKEFLPME AQLSRLIGQS LWDVSRSSTG DATA SEQUENCE NLVEWFLLRK AYERNELAPN KPDEKELARR RQSYEGGYVK EPERGLWENI DATA SEQUENCE VYLDFRSLYP SIIITHNVSP DTLNREGcKE YDVAPQVGHR FcKDFPGFIP DATA SEQUENCE SLLGDLLEER QKIKKKMKAT IDPIERKLLD YRQRAIKILA NSYYGYYGYA DATA SEQUENCE RARWYCKECA ESVTAWGREY ITMTIKEIEE KYGFKVIYSD TDGFFATIPG DATA SEQUENCE ADAETVKKKA MEFLKYINAK LPGALELEYE GFYKRGFFVT KKKYAVIDEE DATA SEQUENCE GKITTRGLEI VRRDWSEIAK ETQARVLEAL LKDGDVEKAV RIVKEVTEKL DATA SEQUENCE SKYEVPPEKL VIHEQIXXXX XXXXXXXPHV AVAKRLAAXX XXXXXXTVIS DATA SEQUENCE YIVLXXXXXX XXRAIPFDEF DPTKHKYDAE YYIENQVLPA VERILRXXGY DATA SEQUENCE RKEDLRYQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 I N 5.647 126.212 120.570 -0.009 0.000 2.529 2 I HA 0.106 4.275 4.170 -0.002 0.000 0.284 2 I C 0.460 176.594 176.117 0.029 0.000 1.082 2 I CA -0.092 61.205 61.300 -0.004 0.000 1.406 2 I CB 1.052 39.043 38.000 -0.015 0.000 1.405 2 I HN 0.846 nan 8.210 nan 0.000 0.548 3 L N 3.663 124.927 121.223 0.068 0.000 2.445 3 L HA 0.308 4.647 4.340 -0.002 0.000 0.207 3 L C 0.253 177.198 176.870 0.125 0.000 1.053 3 L CA 0.456 55.359 54.840 0.105 0.000 0.841 3 L CB 0.071 42.223 42.059 0.154 0.000 1.074 3 L HN 0.633 nan 8.230 nan 0.000 0.479 4 D N -1.362 119.142 120.400 0.172 0.000 2.779 4 D HA 0.380 5.019 4.640 -0.002 0.000 0.331 4 D C -1.272 175.133 176.300 0.174 0.000 1.331 4 D CA -0.064 54.046 54.000 0.183 0.000 0.866 4 D CB 1.751 42.676 40.800 0.209 0.000 1.409 4 D HN 0.020 nan 8.370 nan 0.000 0.486 5 T N -1.138 113.497 114.554 0.135 0.000 2.868 5 T HA 0.748 5.097 4.350 -0.002 0.000 0.306 5 T C -1.361 173.385 174.700 0.077 0.000 1.224 5 T CA -0.727 61.375 62.100 0.003 0.000 1.012 5 T CB 2.327 71.173 68.868 -0.037 0.000 1.221 5 T HN 0.611 nan 8.240 nan 0.000 0.499 6 D N -0.344 120.068 120.400 0.019 0.000 2.893 6 D HA 0.343 4.982 4.640 -0.002 0.000 0.346 6 D C -1.722 174.667 176.300 0.149 0.000 1.402 6 D CA -0.694 53.378 54.000 0.121 0.000 0.815 6 D CB 0.431 41.332 40.800 0.169 0.000 1.403 6 D HN 0.891 nan 8.370 nan 0.000 0.484 7 Y N -1.361 118.979 120.300 0.067 0.000 2.609 7 Y HA 0.731 5.280 4.550 -0.002 0.000 0.336 7 Y C -1.795 174.160 175.900 0.092 0.000 1.129 7 Y CA -1.222 56.920 58.100 0.070 0.000 1.040 7 Y CB 1.083 39.659 38.460 0.193 0.000 1.310 7 Y HN 0.393 nan 8.280 nan 0.000 0.460 8 I N 1.766 122.487 120.570 0.252 0.000 2.693 8 I HA 0.449 4.618 4.170 -0.002 0.000 0.303 8 I C -0.459 175.833 176.117 0.291 0.000 1.025 8 I CA -0.809 60.593 61.300 0.171 0.000 1.086 8 I CB 2.181 40.276 38.000 0.159 0.000 1.268 8 I HN 0.815 nan 8.210 nan 0.000 0.440 9 T N 3.665 118.362 114.554 0.239 0.000 2.749 9 T HA 0.362 4.711 4.350 -0.002 0.000 0.287 9 T C -0.190 174.612 174.700 0.170 0.000 0.970 9 T CA -0.469 61.785 62.100 0.257 0.000 0.980 9 T CB 1.017 70.096 68.868 0.352 0.000 0.924 9 T HN 0.449 nan 8.240 nan 0.000 0.456 10 E N 2.434 122.719 120.200 0.143 0.000 2.185 10 E HA 0.235 4.584 4.350 -0.002 0.000 0.261 10 E C -0.694 175.961 176.600 0.091 0.000 0.879 10 E CA -0.607 55.853 56.400 0.101 0.000 0.756 10 E CB 0.545 30.296 29.700 0.085 0.000 1.152 10 E HN 0.588 nan 8.360 nan 0.000 0.416 11 D N 3.633 124.080 120.400 0.078 0.000 2.708 11 D HA -0.244 4.395 4.640 -0.002 0.000 0.236 11 D C 0.808 177.160 176.300 0.087 0.000 1.146 11 D CA 1.463 55.504 54.000 0.068 0.000 0.662 11 D CB -1.186 39.645 40.800 0.052 0.000 1.059 11 D HN 0.964 nan 8.370 nan 0.000 0.428 12 G N -1.028 107.845 108.800 0.122 0.000 2.284 12 G HA2 -0.390 3.569 3.960 -0.002 0.000 0.247 12 G HA3 -0.390 3.569 3.960 -0.002 0.000 0.247 12 G C 0.340 175.365 174.900 0.207 0.000 1.012 12 G CA 0.847 46.046 45.100 0.164 0.000 0.618 12 G HN 0.474 nan 8.290 nan 0.000 0.521 13 K N 2.451 122.927 120.400 0.127 0.000 2.174 13 K HA 0.559 4.878 4.320 -0.002 0.000 0.275 13 K C -2.306 174.310 176.600 0.027 0.000 1.015 13 K CA -1.902 54.423 56.287 0.065 0.000 0.933 13 K CB 1.485 34.019 32.500 0.056 0.000 1.025 13 K HN 0.184 nan 8.250 nan 0.000 0.463 14 P HA 0.095 nan 4.420 nan 0.000 0.280 14 P C -0.826 176.521 177.300 0.079 0.000 1.244 14 P CA -0.418 62.579 63.100 -0.172 0.000 0.784 14 P CB 0.998 32.242 31.700 -0.761 0.000 0.913 15 V N 5.627 125.663 119.914 0.205 0.000 2.444 15 V HA 0.307 4.426 4.120 -0.002 0.000 0.294 15 V C 0.610 176.819 176.094 0.192 0.000 1.022 15 V CA -0.701 61.716 62.300 0.196 0.000 0.850 15 V CB 1.629 33.572 31.823 0.201 0.000 0.992 15 V HN 0.475 nan 8.190 nan 0.000 0.426 16 I N 5.362 125.955 120.570 0.037 0.000 2.396 16 I HA 0.448 4.617 4.170 -0.002 0.000 0.292 16 I C 0.399 176.303 176.117 -0.354 0.000 0.999 16 I CA 0.050 61.238 61.300 -0.186 0.000 1.310 16 I CB 0.724 38.363 38.000 -0.601 0.000 1.404 16 I HN 0.534 nan 8.210 nan 0.000 0.496 17 R N 7.320 127.538 120.500 -0.470 0.000 2.494 17 R HA 0.550 4.889 4.340 -0.002 0.000 0.305 17 R C -1.015 174.765 176.300 -0.866 0.000 0.959 17 R CA -0.678 54.931 56.100 -0.817 0.000 0.864 17 R CB 1.554 31.271 30.300 -0.970 0.000 1.159 17 R HN 0.536 nan 8.270 nan 0.000 0.446 18 I N 4.366 124.473 120.570 -0.770 0.000 2.395 18 I HA 0.189 4.358 4.170 -0.002 0.000 0.282 18 I C -0.526 175.296 176.117 -0.492 0.000 1.107 18 I CA -0.584 60.408 61.300 -0.513 0.000 1.210 18 I CB 0.118 37.943 38.000 -0.292 0.000 1.456 18 I HN 0.395 nan 8.210 nan 0.000 0.504 19 F N 5.865 125.704 119.950 -0.185 0.000 2.518 19 F HA 0.082 4.608 4.527 -0.002 0.000 0.375 19 F C 1.065 176.755 175.800 -0.184 0.000 1.097 19 F CA 0.040 57.925 58.000 -0.190 0.000 1.108 19 F CB -0.187 38.827 39.000 0.024 0.000 1.078 19 F HN 0.408 nan 8.300 nan 0.000 0.564 20 K N 2.253 122.548 120.400 -0.174 0.000 2.443 20 K HA 0.593 4.912 4.320 -0.002 0.000 0.251 20 K C -1.256 175.247 176.600 -0.161 0.000 0.972 20 K CA -1.253 54.964 56.287 -0.116 0.000 0.833 20 K CB 2.588 35.020 32.500 -0.114 0.000 1.317 20 K HN 0.387 nan 8.250 nan 0.000 0.441 21 K N 2.175 122.544 120.400 -0.052 0.000 2.530 21 K HA 0.128 4.447 4.320 -0.002 0.000 0.230 21 K C -0.834 175.761 176.600 -0.008 0.000 1.002 21 K CA -0.378 55.901 56.287 -0.014 0.000 1.014 21 K CB 0.931 33.471 32.500 0.065 0.000 1.286 21 K HN 0.541 nan 8.250 nan 0.000 0.480 22 E N 0.696 120.880 120.200 -0.026 0.000 2.392 22 E HA -0.017 4.332 4.350 -0.002 0.000 0.256 22 E C 0.287 176.891 176.600 0.006 0.000 1.145 22 E CA 0.040 56.432 56.400 -0.013 0.000 0.929 22 E CB 0.240 29.927 29.700 -0.022 0.000 0.998 22 E HN 0.723 nan 8.360 nan 0.000 0.442 23 N N 0.669 119.374 118.700 0.008 0.000 2.211 23 N HA 0.153 4.892 4.740 -0.002 0.000 0.283 23 N C 0.892 176.414 175.510 0.020 0.000 1.393 23 N CA 0.956 54.015 53.050 0.015 0.000 0.954 23 N CB -0.565 37.930 38.487 0.012 0.000 1.349 23 N HN 0.615 nan 8.380 nan 0.000 0.491 24 G N 0.286 109.104 108.800 0.030 0.000 1.844 24 G HA2 0.030 3.989 3.960 -0.002 0.000 0.177 24 G HA3 0.030 3.989 3.960 -0.002 0.000 0.177 24 G C -0.507 174.425 174.900 0.054 0.000 1.010 24 G CA 0.150 45.273 45.100 0.037 0.000 1.257 24 G HN 0.822 nan 8.290 nan 0.000 0.428 25 E N -0.130 120.107 120.200 0.061 0.000 2.405 25 E HA 0.723 5.072 4.350 -0.002 0.000 0.249 25 E C -0.468 176.208 176.600 0.127 0.000 1.028 25 E CA -0.801 55.660 56.400 0.101 0.000 0.897 25 E CB 0.948 30.709 29.700 0.102 0.000 1.262 25 E HN 0.438 nan 8.360 nan 0.000 0.442 26 F N 1.027 120.994 119.950 0.029 0.000 2.450 26 F HA 0.300 4.826 4.527 -0.002 0.000 0.339 26 F C 0.081 175.911 175.800 0.049 0.000 1.146 26 F CA 0.549 58.574 58.000 0.040 0.000 1.267 26 F CB 0.467 39.489 39.000 0.036 0.000 1.178 26 F HN 0.111 nan 8.300 nan 0.000 0.585 27 K N 5.903 125.805 120.400 -0.830 0.000 2.557 27 K HA 0.478 4.797 4.320 -0.002 0.000 0.261 27 K C -1.993 174.206 176.600 -0.668 0.000 0.932 27 K CA -0.629 55.367 56.287 -0.484 0.000 0.829 27 K CB 1.496 33.854 32.500 -0.236 0.000 1.358 27 K HN 0.681 nan 8.250 nan 0.000 0.430 28 I N 2.627 122.999 120.570 -0.330 0.000 2.436 28 I HA 0.318 4.487 4.170 -0.002 0.000 0.289 28 I C -0.256 175.672 176.117 -0.315 0.000 1.010 28 I CA -0.751 60.325 61.300 -0.373 0.000 1.098 28 I CB 2.035 39.901 38.000 -0.222 0.000 1.266 28 I HN 0.602 nan 8.210 nan 0.000 0.434 29 E N 4.363 124.292 120.200 -0.451 0.000 2.232 29 E HA 0.563 4.912 4.350 -0.002 0.000 0.265 29 E C -1.762 174.563 176.600 -0.459 0.000 1.001 29 E CA -0.621 55.632 56.400 -0.245 0.000 0.870 29 E CB 1.801 31.391 29.700 -0.183 0.000 1.175 29 E HN 0.334 nan 8.360 nan 0.000 0.407 30 Y N 0.412 120.633 120.300 -0.131 0.000 2.421 30 Y HA 0.318 4.867 4.550 -0.002 0.000 0.339 30 Y C -0.809 175.036 175.900 -0.092 0.000 0.996 30 Y CA -1.063 56.962 58.100 -0.126 0.000 1.046 30 Y CB 1.909 40.324 38.460 -0.076 0.000 1.226 30 Y HN 0.310 nan 8.280 nan 0.000 0.445 31 D N 2.457 122.864 120.400 0.011 0.000 2.696 31 D HA 0.336 4.975 4.640 -0.002 0.000 0.251 31 D C -0.367 175.974 176.300 0.069 0.000 1.188 31 D CA -0.769 53.249 54.000 0.030 0.000 0.876 31 D CB 1.192 41.987 40.800 -0.008 0.000 1.334 31 D HN 0.808 nan 8.370 nan 0.000 0.540 32 R N 1.238 121.806 120.500 0.114 0.000 2.700 32 R HA 0.198 4.536 4.340 -0.002 0.000 0.399 32 R C 0.569 176.959 176.300 0.150 0.000 1.115 32 R CA -0.322 55.858 56.100 0.132 0.000 1.058 32 R CB -0.220 30.141 30.300 0.101 0.000 1.389 32 R HN 0.257 nan 8.270 nan 0.000 0.582 33 T N -3.305 111.365 114.554 0.194 0.000 3.001 33 T HA 0.159 4.508 4.350 -0.002 0.000 0.251 33 T C 0.066 174.948 174.700 0.302 0.000 1.040 33 T CA -0.346 61.871 62.100 0.195 0.000 0.985 33 T CB -0.013 68.953 68.868 0.163 0.000 1.011 33 T HN 0.165 nan 8.240 nan 0.000 0.509 34 F N 3.506 123.576 119.950 0.200 0.000 2.472 34 F HA 0.458 4.984 4.527 -0.002 0.000 0.364 34 F C 0.069 176.104 175.800 0.391 0.000 1.090 34 F CA -1.589 56.580 58.000 0.280 0.000 1.188 34 F CB 0.419 39.594 39.000 0.291 0.000 1.105 34 F HN 0.178 nan 8.300 nan 0.000 0.536 35 E N 7.117 127.314 120.200 -0.005 0.000 2.202 35 E HA 0.390 4.739 4.350 -0.002 0.000 0.272 35 E C -2.534 174.092 176.600 0.044 0.000 0.951 35 E CA -2.148 54.293 56.400 0.069 0.000 0.813 35 E CB 1.023 30.804 29.700 0.134 0.000 1.151 35 E HN 0.372 nan 8.360 nan 0.000 0.398 36 P HA 0.142 nan 4.420 nan 0.000 0.274 36 P C -1.385 176.081 177.300 0.277 0.000 1.246 36 P CA -0.088 63.101 63.100 0.148 0.000 0.795 36 P CB 0.285 31.948 31.700 -0.061 0.000 1.006 37 Y N -0.717 119.656 120.300 0.121 0.000 2.810 37 Y HA 0.685 5.234 4.550 -0.002 0.000 0.355 37 Y C -1.987 173.947 175.900 0.057 0.000 1.211 37 Y CA -1.643 56.439 58.100 -0.029 0.000 1.112 37 Y CB 0.377 38.532 38.460 -0.507 0.000 1.383 37 Y HN 0.461 nan 8.280 nan 0.000 0.458 38 F N -1.242 118.716 119.950 0.012 0.000 2.770 38 F HA 0.778 5.304 4.527 -0.002 0.000 0.313 38 F C -2.301 173.442 175.800 -0.095 0.000 1.154 38 F CA -2.053 55.884 58.000 -0.104 0.000 0.923 38 F CB 0.646 39.688 39.000 0.069 0.000 1.301 38 F HN 0.548 nan 8.300 nan 0.000 0.449 39 Y N 1.071 121.770 120.300 0.666 0.000 2.403 39 Y HA 0.828 5.377 4.550 -0.001 0.000 0.323 39 Y C 0.250 176.452 175.900 0.504 0.000 1.226 39 Y CA -0.706 57.686 58.100 0.487 0.000 1.235 39 Y CB 1.713 40.449 38.460 0.460 0.000 1.248 39 Y HN 0.947 nan 8.280 nan 0.000 0.489 40 A N 2.133 125.280 122.820 0.544 0.000 2.449 40 A HA 0.650 4.969 4.320 -0.002 0.000 0.302 40 A C -1.842 175.944 177.584 0.338 0.000 1.048 40 A CA -0.724 51.527 52.037 0.357 0.000 0.708 40 A CB 1.261 20.431 19.000 0.283 0.000 1.274 40 A HN 0.791 nan 8.150 nan 0.000 0.410 41 L N 3.238 124.580 121.223 0.198 0.000 2.272 41 L HA 0.579 4.918 4.340 -0.002 0.000 0.289 41 L C -1.097 175.834 176.870 0.102 0.000 1.032 41 L CA -0.572 54.382 54.840 0.190 0.000 0.810 41 L CB 0.938 43.091 42.059 0.155 0.000 1.205 41 L HN 0.688 nan 8.230 nan 0.000 0.422 42 L N 4.093 125.395 121.223 0.131 0.000 2.322 42 L HA 0.431 4.770 4.340 -0.002 0.000 0.269 42 L C 0.802 177.686 176.870 0.024 0.000 1.012 42 L CA -0.762 54.094 54.840 0.027 0.000 0.815 42 L CB 2.055 44.099 42.059 -0.026 0.000 1.295 42 L HN 0.606 nan 8.230 nan 0.000 0.438 43 K N -0.142 120.237 120.400 -0.035 0.000 2.314 43 K HA 0.115 4.434 4.320 -0.002 0.000 0.198 43 K C -0.596 176.003 176.600 -0.002 0.000 1.045 43 K CA 0.609 56.883 56.287 -0.023 0.000 0.988 43 K CB 0.318 32.784 32.500 -0.056 0.000 0.783 43 K HN 0.502 nan 8.250 nan 0.000 0.484 44 D N -0.064 120.331 120.400 -0.009 0.000 2.937 44 D HA 0.043 4.682 4.640 -0.002 0.000 0.215 44 D C -0.875 175.430 176.300 0.009 0.000 1.274 44 D CA -0.281 53.727 54.000 0.014 0.000 0.869 44 D CB 1.776 42.571 40.800 -0.008 0.000 1.675 44 D HN -0.109 nan 8.370 nan 0.000 0.538 45 D N 0.395 120.854 120.400 0.098 0.000 2.390 45 D HA -0.082 4.557 4.640 -0.002 0.000 0.235 45 D C 1.704 177.987 176.300 -0.028 0.000 1.040 45 D CA 0.597 54.676 54.000 0.132 0.000 0.923 45 D CB 0.339 41.392 40.800 0.421 0.000 0.886 45 D HN 0.309 nan 8.370 nan 0.000 0.532 46 S N 0.665 116.341 115.700 -0.040 0.000 2.356 46 S HA -0.016 4.453 4.470 -0.002 0.000 0.219 46 S C 2.224 176.760 174.600 -0.107 0.000 1.036 46 S CA 0.594 58.764 58.200 -0.050 0.000 0.965 46 S CB -0.303 62.883 63.200 -0.023 0.000 0.864 46 S HN 0.171 nan 8.310 nan 0.000 0.471 47 A N 1.396 124.146 122.820 -0.116 0.000 2.194 47 A HA -0.029 4.290 4.320 -0.002 0.000 0.220 47 A C 1.971 179.447 177.584 -0.180 0.000 1.162 47 A CA 1.273 53.245 52.037 -0.108 0.000 0.674 47 A CB -1.019 17.901 19.000 -0.133 0.000 0.789 47 A HN 0.537 nan 8.150 nan 0.000 0.470 48 I N -0.283 120.069 120.570 -0.363 0.000 2.335 48 I HA -0.213 3.956 4.170 -0.002 0.000 0.251 48 I C 1.997 177.949 176.117 -0.274 0.000 1.129 48 I CA 1.976 62.951 61.300 -0.542 0.000 1.402 48 I CB -0.246 37.128 38.000 -1.044 0.000 1.069 48 I HN 0.375 nan 8.210 nan 0.000 0.424 49 E N 0.579 120.676 120.200 -0.172 0.000 2.047 49 E HA -0.184 4.165 4.350 -0.002 0.000 0.191 49 E C 2.166 178.727 176.600 -0.065 0.000 0.987 49 E CA 1.418 57.761 56.400 -0.095 0.000 0.799 49 E CB -0.200 29.463 29.700 -0.062 0.000 0.752 49 E HN 0.521 nan 8.360 nan 0.000 0.449 50 E N -0.486 119.692 120.200 -0.038 0.000 2.204 50 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 50 E C 1.954 178.521 176.600 -0.054 0.000 0.989 50 E CA 0.683 57.064 56.400 -0.031 0.000 0.824 50 E CB 0.238 29.957 29.700 0.032 0.000 0.756 50 E HN 0.131 nan 8.360 nan 0.000 0.477 51 V N 2.267 122.175 119.914 -0.011 0.000 2.239 51 V HA -0.254 3.865 4.120 -0.002 0.000 0.242 51 V C 2.237 178.317 176.094 -0.024 0.000 1.038 51 V CA 2.074 64.379 62.300 0.008 0.000 1.002 51 V CB -0.485 31.338 31.823 0.000 0.000 0.641 51 V HN 0.309 nan 8.190 nan 0.000 0.449 52 K N 0.275 120.642 120.400 -0.055 0.000 2.589 52 K HA -0.172 4.147 4.320 -0.002 0.000 0.195 52 K C 1.287 177.871 176.600 -0.026 0.000 1.042 52 K CA 1.135 57.396 56.287 -0.043 0.000 0.940 52 K CB -0.131 32.333 32.500 -0.060 0.000 0.776 52 K HN 0.280 nan 8.250 nan 0.000 0.487 53 K N 0.676 121.057 120.400 -0.032 0.000 2.358 53 K HA 0.207 4.526 4.320 -0.002 0.000 0.200 53 K C 0.243 176.825 176.600 -0.029 0.000 1.030 53 K CA -0.208 56.062 56.287 -0.029 0.000 1.097 53 K CB 0.486 32.962 32.500 -0.040 0.000 0.862 53 K HN 0.126 nan 8.250 nan 0.000 0.534 54 I N 2.649 123.204 120.570 -0.025 0.000 2.638 54 I HA 0.072 4.241 4.170 -0.002 0.000 0.286 54 I C 0.938 177.066 176.117 0.019 0.000 1.088 54 I CA 0.365 61.650 61.300 -0.025 0.000 1.397 54 I CB 0.593 38.582 38.000 -0.019 0.000 1.414 54 I HN 0.080 nan 8.210 nan 0.000 0.566 55 T N 1.816 116.375 114.554 0.009 0.000 2.821 55 T HA 0.882 5.231 4.350 -0.002 0.000 0.306 55 T C -0.816 173.888 174.700 0.006 0.000 1.313 55 T CA -0.755 61.361 62.100 0.025 0.000 1.012 55 T CB 2.179 71.058 68.868 0.019 0.000 1.298 55 T HN 0.831 nan 8.240 nan 0.000 0.502 56 A N 0.451 123.275 122.820 0.006 0.000 2.530 56 A HA 0.883 5.202 4.320 -0.002 0.000 0.288 56 A C -1.092 176.481 177.584 -0.018 0.000 1.172 56 A CA -0.871 51.157 52.037 -0.016 0.000 0.733 56 A CB 1.700 20.682 19.000 -0.030 0.000 1.320 56 A HN 1.011 nan 8.150 nan 0.000 0.419 57 E N 0.072 120.253 120.200 -0.032 0.000 2.199 57 E HA 0.576 4.925 4.350 -0.002 0.000 0.269 57 E C -0.844 175.715 176.600 -0.068 0.000 0.899 57 E CA -0.634 55.746 56.400 -0.034 0.000 0.772 57 E CB 1.462 31.148 29.700 -0.023 0.000 1.155 57 E HN 0.579 nan 8.360 nan 0.000 0.408 58 R N 3.161 123.613 120.500 -0.080 0.000 2.574 58 R HA 0.221 4.560 4.340 -0.002 0.000 0.288 58 R C -1.015 175.223 176.300 -0.104 0.000 1.004 58 R CA -0.404 55.589 56.100 -0.179 0.000 0.895 58 R CB 0.674 30.845 30.300 -0.214 0.000 1.191 58 R HN 0.729 nan 8.270 nan 0.000 0.444 59 H N 2.955 122.008 119.070 -0.028 0.000 2.604 59 H HA -0.186 4.369 4.556 -0.001 0.000 0.321 59 H C 1.069 176.387 175.328 -0.016 0.000 1.132 59 H CA 1.581 57.615 56.048 -0.024 0.000 1.129 59 H CB -1.303 28.439 29.762 -0.032 0.000 1.526 59 H HN 1.126 nan 8.280 nan 0.000 0.415 60 G N -0.602 108.243 108.800 0.076 0.000 2.228 60 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.270 60 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.270 60 G C 0.591 175.511 174.900 0.033 0.000 0.976 60 G CA 1.162 46.288 45.100 0.044 0.000 0.636 60 G HN 0.718 nan 8.290 nan 0.000 0.542 61 T N 0.276 114.854 114.554 0.039 0.000 2.929 61 T HA 0.573 4.922 4.350 -0.002 0.000 0.284 61 T C 0.362 175.069 174.700 0.012 0.000 1.014 61 T CA -0.397 61.720 62.100 0.028 0.000 1.051 61 T CB 2.520 71.412 68.868 0.041 0.000 1.028 61 T HN 0.360 nan 8.240 nan 0.000 0.485 62 V N 2.619 122.542 119.914 0.015 0.000 2.530 62 V HA 0.252 4.371 4.120 -0.002 0.000 0.282 62 V C -0.019 176.089 176.094 0.024 0.000 1.048 62 V CA -0.435 61.873 62.300 0.013 0.000 0.997 62 V CB 1.326 33.158 31.823 0.015 0.000 0.987 62 V HN 0.646 nan 8.190 nan 0.000 0.477 63 V N 5.409 125.337 119.914 0.024 0.000 2.313 63 V HA 0.361 4.480 4.120 -0.002 0.000 0.278 63 V C 0.557 176.704 176.094 0.089 0.000 1.017 63 V CA -0.313 62.019 62.300 0.052 0.000 0.823 63 V CB 1.533 33.370 31.823 0.024 0.000 1.010 63 V HN 1.084 nan 8.190 nan 0.000 0.443 64 T N 2.397 117.015 114.554 0.107 0.000 2.884 64 T HA 0.646 4.995 4.350 -0.002 0.000 0.277 64 T C -0.163 174.650 174.700 0.189 0.000 0.976 64 T CA -0.698 61.470 62.100 0.113 0.000 0.956 64 T CB 1.753 70.657 68.868 0.060 0.000 1.113 64 T HN 0.182 nan 8.240 nan 0.000 0.554 65 V N 2.206 122.186 119.914 0.110 0.000 2.383 65 V HA 0.303 4.422 4.120 -0.002 0.000 0.275 65 V C 1.281 177.292 176.094 -0.137 0.000 1.036 65 V CA -0.580 61.698 62.300 -0.037 0.000 0.889 65 V CB 0.750 32.528 31.823 -0.076 0.000 0.985 65 V HN 0.989 nan 8.190 nan 0.000 0.459 66 K N 4.513 124.774 120.400 -0.232 0.000 1.996 66 K HA 0.080 4.399 4.320 -0.002 0.000 0.216 66 K C 0.983 177.503 176.600 -0.134 0.000 1.022 66 K CA 0.624 56.831 56.287 -0.135 0.000 1.007 66 K CB 0.109 32.548 32.500 -0.102 0.000 0.946 66 K HN 0.589 nan 8.250 nan 0.000 0.447 67 R N 0.081 120.509 120.500 -0.120 0.000 2.668 67 R HA 0.425 4.764 4.340 -0.002 0.000 0.279 67 R C -1.573 174.765 176.300 0.063 0.000 0.976 67 R CA -0.696 55.372 56.100 -0.054 0.000 0.978 67 R CB 1.697 31.924 30.300 -0.121 0.000 1.133 67 R HN 0.215 nan 8.270 nan 0.000 0.484 68 V N 2.453 122.425 119.914 0.097 0.000 2.876 68 V HA 0.406 4.524 4.120 -0.002 0.000 0.312 68 V C -1.227 175.012 176.094 0.242 0.000 1.085 68 V CA -0.750 61.663 62.300 0.188 0.000 0.945 68 V CB 2.002 33.929 31.823 0.173 0.000 1.017 68 V HN 0.967 nan 8.190 nan 0.000 0.428 69 E N 2.004 122.359 120.200 0.258 0.000 2.321 69 E HA 0.473 4.822 4.350 -0.002 0.000 0.281 69 E C -1.244 175.306 176.600 -0.082 0.000 0.910 69 E CA -1.022 55.447 56.400 0.115 0.000 0.770 69 E CB 2.287 32.049 29.700 0.102 0.000 1.225 69 E HN 0.523 nan 8.360 nan 0.000 0.417 70 K N 2.646 122.739 120.400 -0.512 0.000 2.322 70 K HA 0.279 4.598 4.320 -0.002 0.000 0.283 70 K C -0.307 176.023 176.600 -0.451 0.000 1.042 70 K CA -0.453 55.243 56.287 -0.984 0.000 0.958 70 K CB 0.829 32.317 32.500 -1.687 0.000 0.984 70 K HN 0.487 nan 8.250 nan 0.000 0.473 71 V N 1.425 121.148 119.914 -0.319 0.000 2.960 71 V HA 0.458 4.577 4.120 -0.002 0.000 0.315 71 V C -1.032 174.960 176.094 -0.170 0.000 1.087 71 V CA -1.155 61.043 62.300 -0.171 0.000 0.982 71 V CB 1.703 33.496 31.823 -0.049 0.000 1.039 71 V HN 0.799 nan 8.190 nan 0.000 0.437 72 Q N 1.702 121.421 119.800 -0.136 0.000 2.314 72 Q HA 0.665 5.004 4.340 -0.002 0.000 0.259 72 Q C -1.108 174.815 176.000 -0.127 0.000 0.951 72 Q CA -0.301 55.428 55.803 -0.123 0.000 0.909 72 Q CB 1.912 30.589 28.738 -0.103 0.000 1.236 72 Q HN 0.891 nan 8.270 nan 0.000 0.444 73 K N 1.584 121.907 120.400 -0.129 0.000 2.137 73 K HA 0.624 4.943 4.320 -0.002 0.000 0.251 73 K C -0.930 175.610 176.600 -0.101 0.000 1.048 73 K CA -1.004 55.199 56.287 -0.140 0.000 0.873 73 K CB 1.757 34.133 32.500 -0.207 0.000 1.442 73 K HN 0.469 nan 8.250 nan 0.000 0.467 74 K N 1.018 121.361 120.400 -0.096 0.000 2.507 74 K HA 0.330 4.649 4.320 -0.002 0.000 0.251 74 K C -1.693 174.888 176.600 -0.033 0.000 0.943 74 K CA -0.491 55.755 56.287 -0.069 0.000 0.794 74 K CB 1.594 34.028 32.500 -0.110 0.000 1.188 74 K HN 0.327 nan 8.250 nan 0.000 0.428 75 F N 5.081 124.948 119.950 -0.139 0.000 2.311 75 F HA 0.326 4.851 4.527 -0.002 0.000 0.371 75 F C 0.301 176.063 175.800 -0.064 0.000 1.083 75 F CA -0.559 57.356 58.000 -0.143 0.000 1.113 75 F CB 0.175 39.065 39.000 -0.184 0.000 1.349 75 F HN 0.625 nan 8.300 nan 0.000 0.470 76 L N 5.783 126.777 121.223 -0.381 0.000 3.898 76 L HA -0.331 4.008 4.340 -0.002 0.000 0.407 76 L C 1.131 177.987 176.870 -0.023 0.000 1.207 76 L CA 0.693 55.428 54.840 -0.175 0.000 0.931 76 L CB -1.703 40.262 42.059 -0.156 0.000 2.014 76 L HN 1.045 nan 8.230 nan 0.000 0.858 77 G N -0.773 107.979 108.800 -0.080 0.000 3.079 77 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.214 77 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.214 77 G C 0.347 175.182 174.900 -0.108 0.000 1.335 77 G CA 0.142 45.169 45.100 -0.123 0.000 0.822 77 G HN 0.386 nan 8.290 nan 0.000 0.545 78 R N 2.233 122.717 120.500 -0.027 0.000 2.537 78 R HA 0.337 4.676 4.340 -0.002 0.000 0.281 78 R C -2.328 173.968 176.300 -0.005 0.000 0.988 78 R CA -0.641 55.457 56.100 -0.003 0.000 1.077 78 R CB 0.008 30.345 30.300 0.062 0.000 0.932 78 R HN 0.282 nan 8.270 nan 0.000 0.409 79 P HA 0.028 nan 4.420 nan 0.000 0.270 79 P C -0.930 176.363 177.300 -0.013 0.000 1.223 79 P CA -0.190 62.890 63.100 -0.033 0.000 0.785 79 P CB 0.804 32.480 31.700 -0.041 0.000 0.923 80 V N -2.030 117.868 119.914 -0.027 0.000 3.023 80 V HA 0.436 4.555 4.120 -0.002 0.000 0.294 80 V C -1.132 174.933 176.094 -0.048 0.000 1.324 80 V CA -0.788 61.497 62.300 -0.025 0.000 0.979 80 V CB 2.220 34.031 31.823 -0.020 0.000 1.093 80 V HN 0.339 nan 8.190 nan 0.000 0.434 81 E N 2.174 122.354 120.200 -0.033 0.000 2.113 81 E HA 0.676 5.025 4.350 -0.002 0.000 0.273 81 E C -0.615 175.971 176.600 -0.024 0.000 0.924 81 E CA -0.448 55.915 56.400 -0.061 0.000 0.764 81 E CB 2.215 31.880 29.700 -0.058 0.000 1.104 81 E HN 1.009 nan 8.360 nan 0.000 0.406 82 V N 0.071 119.948 119.914 -0.063 0.000 3.141 82 V HA 0.619 4.738 4.120 -0.002 0.000 0.312 82 V C -1.238 174.838 176.094 -0.031 0.000 1.157 82 V CA -1.130 61.220 62.300 0.083 0.000 1.041 82 V CB 1.426 33.352 31.823 0.171 0.000 1.071 82 V HN 0.503 nan 8.190 nan 0.000 0.441 83 W N 0.696 122.095 121.300 0.165 0.000 2.469 83 W HA 0.686 5.345 4.660 -0.002 0.000 0.320 83 W C 0.193 176.819 176.519 0.177 0.000 1.086 83 W CA -0.411 57.015 57.345 0.134 0.000 1.211 83 W CB 1.404 30.910 29.460 0.077 0.000 1.298 83 W HN 0.615 nan 8.180 nan 0.000 0.525 84 K N 4.049 124.593 120.400 0.240 0.000 2.253 84 K HA 0.463 4.782 4.320 -0.002 0.000 0.277 84 K C -0.960 175.514 176.600 -0.210 0.000 1.053 84 K CA -0.391 55.875 56.287 -0.034 0.000 0.892 84 K CB 0.374 32.775 32.500 -0.164 0.000 1.102 84 K HN 0.497 nan 8.250 nan 0.000 0.469 85 L N 5.710 126.712 121.223 -0.369 0.000 2.280 85 L HA 0.377 4.716 4.340 -0.002 0.000 0.287 85 L C -0.751 175.709 176.870 -0.684 0.000 1.023 85 L CA -1.050 53.500 54.840 -0.484 0.000 0.819 85 L CB 0.336 42.095 42.059 -0.501 0.000 1.212 85 L HN 0.539 nan 8.230 nan 0.000 0.420 86 Y N 2.615 122.574 120.300 -0.568 0.000 2.376 86 Y HA 0.626 5.175 4.550 -0.002 0.000 0.325 86 Y C -0.107 175.240 175.900 -0.921 0.000 1.199 86 Y CA -0.261 57.581 58.100 -0.431 0.000 1.206 86 Y CB 1.360 39.689 38.460 -0.218 0.000 1.229 86 Y HN 0.284 nan 8.280 nan 0.000 0.480 87 F N -1.692 118.328 119.950 0.117 0.000 2.650 87 F HA 0.316 4.842 4.527 -0.002 0.000 0.320 87 F C 1.109 176.927 175.800 0.029 0.000 1.091 87 F CA -0.822 57.208 58.000 0.049 0.000 0.962 87 F CB 1.382 40.396 39.000 0.024 0.000 1.363 87 F HN 0.478 nan 8.300 nan 0.000 0.482 88 T N -2.943 111.731 114.554 0.200 0.000 2.809 88 T HA -0.017 4.332 4.350 -0.002 0.000 0.260 88 T C 0.449 175.178 174.700 0.048 0.000 1.039 88 T CA 1.253 63.415 62.100 0.103 0.000 1.141 88 T CB -0.301 68.628 68.868 0.102 0.000 0.869 88 T HN 0.513 nan 8.240 nan 0.000 0.437 89 H N 1.360 120.421 119.070 -0.015 0.000 2.569 89 H HA 0.394 4.949 4.556 -0.001 0.000 0.357 89 H C -2.281 172.919 175.328 -0.213 0.000 1.153 89 H CA -2.325 53.643 56.048 -0.134 0.000 1.193 89 H CB 2.376 32.111 29.762 -0.045 0.000 1.602 89 H HN -0.127 nan 8.280 nan 0.000 0.523 90 P HA -0.127 nan 4.420 nan 0.000 0.215 90 P C 1.174 178.528 177.300 0.090 0.000 1.153 90 P CA 1.462 64.374 63.100 -0.314 0.000 0.853 90 P CB 0.319 31.558 31.700 -0.768 0.000 0.788 91 Q N -1.064 118.969 119.800 0.389 0.000 2.437 91 Q HA -0.151 4.188 4.340 -0.002 0.000 0.210 91 Q C 1.272 177.265 176.000 -0.011 0.000 0.972 91 Q CA 0.870 56.744 55.803 0.119 0.000 0.903 91 Q CB -0.355 28.377 28.738 -0.010 0.000 0.967 91 Q HN 0.219 nan 8.270 nan 0.000 0.486 92 D N -0.830 119.578 120.400 0.013 0.000 2.117 92 D HA -0.137 4.502 4.640 -0.002 0.000 0.198 92 D C 1.696 177.882 176.300 -0.190 0.000 0.982 92 D CA 0.757 54.716 54.000 -0.069 0.000 0.828 92 D CB -0.065 40.745 40.800 0.016 0.000 0.967 92 D HN 0.035 nan 8.370 nan 0.000 0.464 93 V N 1.352 121.137 119.914 -0.215 0.000 2.215 93 V HA -0.224 3.895 4.120 -0.002 0.000 0.246 93 V C -0.816 175.187 176.094 -0.151 0.000 1.047 93 V CA 2.045 64.200 62.300 -0.243 0.000 0.999 93 V CB -1.494 30.283 31.823 -0.076 0.000 0.635 93 V HN 0.155 nan 8.190 nan 0.000 0.450 94 P HA -0.190 nan 4.420 nan 0.000 0.222 94 P C 0.811 178.060 177.300 -0.086 0.000 1.139 94 P CA 1.863 64.927 63.100 -0.060 0.000 0.790 94 P CB -0.133 31.558 31.700 -0.016 0.000 0.757 95 A N -2.684 120.071 122.820 -0.108 0.000 2.382 95 A HA 0.249 4.568 4.320 -0.002 0.000 0.228 95 A C 1.752 179.276 177.584 -0.099 0.000 1.217 95 A CA 0.121 52.096 52.037 -0.103 0.000 0.923 95 A CB -0.483 18.452 19.000 -0.109 0.000 0.979 95 A HN 0.205 nan 8.150 nan 0.000 0.515 96 I N -0.755 119.743 120.570 -0.120 0.000 4.312 96 I HA 0.038 4.207 4.170 -0.002 0.000 0.324 96 I C 2.263 178.363 176.117 -0.029 0.000 1.298 96 I CA 0.405 61.664 61.300 -0.069 0.000 1.231 96 I CB 0.095 38.046 38.000 -0.082 0.000 1.152 96 I HN 0.384 nan 8.210 nan 0.000 0.421 97 R N 0.474 120.905 120.500 -0.114 0.000 2.094 97 R HA -0.210 4.129 4.340 -0.002 0.000 0.239 97 R C 1.501 177.661 176.300 -0.233 0.000 1.137 97 R CA 2.161 58.099 56.100 -0.269 0.000 0.943 97 R CB -1.081 28.833 30.300 -0.643 0.000 0.850 97 R HN 0.215 nan 8.270 nan 0.000 0.433 98 D N 0.384 120.655 120.400 -0.216 0.000 2.182 98 D HA -0.105 4.534 4.640 -0.002 0.000 0.201 98 D C 1.605 177.841 176.300 -0.107 0.000 0.986 98 D CA 1.061 54.955 54.000 -0.178 0.000 0.847 98 D CB -0.024 40.692 40.800 -0.140 0.000 0.942 98 D HN 0.214 nan 8.370 nan 0.000 0.467 99 K N 0.397 120.756 120.400 -0.068 0.000 2.296 99 K HA 0.057 4.376 4.320 -0.002 0.000 0.200 99 K C 2.137 178.734 176.600 -0.006 0.000 1.048 99 K CA 0.110 56.374 56.287 -0.037 0.000 0.966 99 K CB 0.015 32.497 32.500 -0.030 0.000 0.754 99 K HN 0.306 nan 8.250 nan 0.000 0.466 100 I N 0.084 120.667 120.570 0.021 0.000 2.876 100 I HA -0.076 4.093 4.170 -0.002 0.000 0.264 100 I C 2.529 178.677 176.117 0.052 0.000 1.204 100 I CA 0.386 61.737 61.300 0.086 0.000 1.485 100 I CB 0.001 38.119 38.000 0.196 0.000 1.103 100 I HN 0.075 nan 8.210 nan 0.000 0.446 101 R N 1.183 121.657 120.500 -0.043 0.000 2.075 101 R HA -0.105 4.234 4.340 -0.002 0.000 0.226 101 R C 1.956 178.228 176.300 -0.048 0.000 1.114 101 R CA 1.129 57.171 56.100 -0.096 0.000 0.972 101 R CB 0.052 30.230 30.300 -0.204 0.000 0.869 101 R HN 0.374 nan 8.270 nan 0.000 0.437 102 E N -0.277 119.905 120.200 -0.030 0.000 2.097 102 E HA -0.211 4.138 4.350 -0.002 0.000 0.196 102 E C 0.393 177.027 176.600 0.057 0.000 1.000 102 E CA 0.655 57.050 56.400 -0.008 0.000 0.804 102 E CB -0.365 29.325 29.700 -0.016 0.000 0.740 102 E HN 0.276 nan 8.360 nan 0.000 0.454 103 H N 1.917 120.958 119.070 -0.048 0.000 3.173 103 H HA -0.064 4.491 4.556 -0.002 0.000 0.311 103 H C -1.579 173.723 175.328 -0.044 0.000 0.972 103 H CA -1.312 54.711 56.048 -0.042 0.000 1.384 103 H CB 0.816 30.556 29.762 -0.038 0.000 1.349 103 H HN -0.042 nan 8.280 nan 0.000 0.582 104 P HA -0.052 nan 4.420 nan 0.000 0.225 104 P C 0.722 177.848 177.300 -0.290 0.000 1.156 104 P CA 1.350 64.403 63.100 -0.078 0.000 0.787 104 P CB 0.172 31.879 31.700 0.011 0.000 0.802 105 A N -0.092 122.255 122.820 -0.788 0.000 2.167 105 A HA 0.135 4.454 4.320 -0.002 0.000 0.214 105 A C 1.091 178.403 177.584 -0.454 0.000 1.151 105 A CA 0.474 52.103 52.037 -0.680 0.000 0.735 105 A CB -0.511 17.943 19.000 -0.910 0.000 0.802 105 A HN 0.081 nan 8.150 nan 0.000 0.467 106 V N 0.944 120.619 119.914 -0.399 0.000 2.370 106 V HA 0.234 4.353 4.120 -0.002 0.000 0.283 106 V C 1.064 177.085 176.094 -0.122 0.000 1.023 106 V CA -0.330 61.864 62.300 -0.176 0.000 0.857 106 V CB 1.112 32.887 31.823 -0.079 0.000 0.985 106 V HN 0.432 nan 8.190 nan 0.000 0.443 107 I N 1.809 122.327 120.570 -0.087 0.000 2.277 107 I HA 0.070 4.239 4.170 -0.002 0.000 0.243 107 I C 0.739 176.788 176.117 -0.112 0.000 1.094 107 I CA 1.407 62.661 61.300 -0.075 0.000 1.393 107 I CB 0.239 38.217 38.000 -0.037 0.000 1.078 107 I HN 0.620 nan 8.210 nan 0.000 0.417 108 D N -1.263 119.045 120.400 -0.153 0.000 2.671 108 D HA 0.477 5.116 4.640 -0.002 0.000 0.273 108 D C -1.410 174.636 176.300 -0.423 0.000 1.264 108 D CA -0.437 53.364 54.000 -0.331 0.000 0.788 108 D CB 2.704 43.222 40.800 -0.471 0.000 1.324 108 D HN -0.274 nan 8.370 nan 0.000 0.424 109 I N 1.319 121.540 120.570 -0.582 0.000 2.509 109 I HA 0.407 4.576 4.170 -0.002 0.000 0.293 109 I C -0.986 174.880 176.117 -0.419 0.000 1.020 109 I CA -0.326 60.755 61.300 -0.365 0.000 1.088 109 I CB 1.560 39.326 38.000 -0.390 0.000 1.267 109 I HN 0.234 nan 8.210 nan 0.000 0.430 110 Y N 2.089 122.643 120.300 0.423 0.000 2.570 110 Y HA 0.417 4.966 4.550 -0.002 0.000 0.345 110 Y C 0.154 176.363 175.900 0.515 0.000 1.014 110 Y CA -1.167 57.213 58.100 0.466 0.000 1.063 110 Y CB 1.488 40.176 38.460 0.380 0.000 1.272 110 Y HN 0.517 nan 8.280 nan 0.000 0.477 111 E N 1.057 121.537 120.200 0.467 0.000 2.210 111 E HA -0.290 4.059 4.350 -0.002 0.000 0.201 111 E C -0.842 175.842 176.600 0.140 0.000 1.339 111 E CA 0.837 57.389 56.400 0.253 0.000 0.699 111 E CB -1.124 28.852 29.700 0.460 0.000 1.126 111 E HN 0.721 nan 8.360 nan 0.000 0.355 112 Y N -1.577 118.720 120.300 -0.006 0.000 2.500 112 Y HA 0.253 4.802 4.550 -0.002 0.000 0.246 112 Y C 0.658 176.478 175.900 -0.133 0.000 1.146 112 Y CA -0.134 57.840 58.100 -0.211 0.000 1.230 112 Y CB 0.430 38.496 38.460 -0.657 0.000 1.214 112 Y HN 0.021 nan 8.280 nan 0.000 0.526 113 D N 0.887 120.933 120.400 -0.591 0.000 2.772 113 D HA 0.232 4.871 4.640 -0.002 0.000 0.272 113 D C -0.599 175.630 176.300 -0.119 0.000 1.314 113 D CA -0.059 53.739 54.000 -0.337 0.000 0.835 113 D CB -0.111 40.399 40.800 -0.483 0.000 1.080 113 D HN 0.271 nan 8.370 nan 0.000 0.482 114 I N 1.054 121.617 120.570 -0.012 0.000 2.354 114 I HA 0.274 4.443 4.170 -0.002 0.000 0.286 114 I C -2.304 173.950 176.117 0.229 0.000 1.007 114 I CA -2.161 59.223 61.300 0.139 0.000 1.167 114 I CB 1.419 39.526 38.000 0.178 0.000 1.320 114 I HN -0.311 nan 8.210 nan 0.000 0.458 115 P HA -0.107 nan 4.420 nan 0.000 0.255 115 P C 0.822 178.330 177.300 0.348 0.000 1.161 115 P CA 0.295 63.589 63.100 0.324 0.000 0.768 115 P CB 0.190 32.093 31.700 0.338 0.000 0.746 116 F N 5.070 125.133 119.950 0.188 0.000 2.048 116 F HA -0.379 4.147 4.527 -0.001 0.000 0.296 116 F C 2.141 178.097 175.800 0.260 0.000 1.109 116 F CA 2.454 60.556 58.000 0.169 0.000 1.214 116 F CB -0.979 38.007 39.000 -0.022 0.000 0.963 116 F HN 0.388 nan 8.300 nan 0.000 0.491 117 A N -0.323 122.647 122.820 0.250 0.000 1.873 117 A HA -0.272 4.047 4.320 -0.002 0.000 0.218 117 A C 2.182 179.794 177.584 0.047 0.000 1.193 117 A CA 2.263 54.360 52.037 0.100 0.000 0.629 117 A CB -0.832 18.277 19.000 0.181 0.000 0.826 117 A HN 0.394 nan 8.150 nan 0.000 0.447 118 K N -0.563 119.885 120.400 0.080 0.000 2.044 118 K HA -0.168 4.151 4.320 -0.002 0.000 0.210 118 K C 2.204 178.815 176.600 0.019 0.000 1.049 118 K CA 1.874 58.145 56.287 -0.026 0.000 0.927 118 K CB -0.322 32.195 32.500 0.029 0.000 0.713 118 K HN 0.475 nan 8.250 nan 0.000 0.443 119 R N -0.444 120.136 120.500 0.135 0.000 2.096 119 R HA -0.220 4.119 4.340 -0.002 0.000 0.240 119 R C 2.163 178.466 176.300 0.005 0.000 1.139 119 R CA 1.653 57.848 56.100 0.158 0.000 0.952 119 R CB -0.918 29.539 30.300 0.262 0.000 0.854 119 R HN 0.318 nan 8.270 nan 0.000 0.436 120 Y N 0.734 120.868 120.300 -0.278 0.000 2.102 120 Y HA -0.301 4.248 4.550 -0.001 0.000 0.280 120 Y C 1.803 177.388 175.900 -0.525 0.000 1.178 120 Y CA 2.261 59.885 58.100 -0.794 0.000 1.146 120 Y CB -0.401 37.615 38.460 -0.741 0.000 0.968 120 Y HN 0.101 nan 8.280 nan 0.000 0.504 121 L N -0.520 120.542 121.223 -0.269 0.000 1.970 121 L HA -0.296 4.043 4.340 -0.002 0.000 0.212 121 L C 2.466 179.144 176.870 -0.320 0.000 1.071 121 L CA 1.994 56.670 54.840 -0.273 0.000 0.751 121 L CB -0.744 41.219 42.059 -0.161 0.000 0.889 121 L HN 0.290 nan 8.230 nan 0.000 0.432 122 I N -0.207 120.215 120.570 -0.247 0.000 2.099 122 I HA -0.322 3.847 4.170 -0.002 0.000 0.239 122 I C 2.096 177.916 176.117 -0.495 0.000 1.066 122 I CA 1.582 62.733 61.300 -0.247 0.000 1.324 122 I CB -0.643 37.297 38.000 -0.100 0.000 1.037 122 I HN 0.252 nan 8.210 nan 0.000 0.401 123 D N 0.910 120.932 120.400 -0.630 0.000 2.158 123 D HA -0.187 4.452 4.640 -0.002 0.000 0.197 123 D C 1.830 177.819 176.300 -0.518 0.000 0.995 123 D CA 1.361 54.853 54.000 -0.847 0.000 0.846 123 D CB -0.150 40.483 40.800 -0.279 0.000 0.941 123 D HN 0.083 nan 8.370 nan 0.000 0.456 124 K N -0.727 119.317 120.400 -0.594 0.000 2.437 124 K HA 0.273 4.592 4.320 -0.002 0.000 0.198 124 K C 0.918 177.323 176.600 -0.326 0.000 1.024 124 K CA 0.325 56.300 56.287 -0.519 0.000 1.148 124 K CB 0.300 32.235 32.500 -0.941 0.000 0.860 124 K HN 0.117 nan 8.250 nan 0.000 0.515 125 G N 1.002 109.650 108.800 -0.254 0.000 2.244 125 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.274 125 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.274 125 G C 0.105 174.922 174.900 -0.138 0.000 1.002 125 G CA 0.562 45.574 45.100 -0.148 0.000 0.740 125 G HN 0.268 nan 8.290 nan 0.000 0.516 126 L N -1.013 120.098 121.223 -0.186 0.000 2.472 126 L HA 0.571 4.910 4.340 -0.002 0.000 0.260 126 L C 0.510 177.325 176.870 -0.092 0.000 1.209 126 L CA -0.661 54.101 54.840 -0.129 0.000 0.817 126 L CB 1.147 43.125 42.059 -0.135 0.000 1.106 126 L HN -0.058 nan 8.230 nan 0.000 0.479 127 V N 1.232 121.110 119.914 -0.060 0.000 2.532 127 V HA 0.274 4.392 4.120 -0.002 0.000 0.294 127 V C -2.380 173.699 176.094 -0.026 0.000 1.036 127 V CA -1.371 60.906 62.300 -0.039 0.000 0.876 127 V CB 1.844 33.653 31.823 -0.023 0.000 1.012 127 V HN 0.598 nan 8.190 nan 0.000 0.432 128 P HA 0.351 nan 4.420 nan 0.000 0.271 128 P C 0.304 177.603 177.300 -0.001 0.000 1.216 128 P CA -0.046 63.049 63.100 -0.008 0.000 0.776 128 P CB 0.337 32.033 31.700 -0.006 0.000 0.881 129 M N -1.340 118.262 119.600 0.003 0.000 2.879 129 M HA -0.164 4.315 4.480 -0.002 0.000 0.210 129 M C -0.125 176.175 176.300 -0.000 0.000 0.550 129 M CA 0.966 56.267 55.300 0.001 0.000 0.732 129 M CB -2.751 29.845 32.600 -0.006 0.000 2.662 129 M HN 0.490 nan 8.290 nan 0.000 0.516 130 E N 0.228 120.428 120.200 -0.000 0.000 2.351 130 E HA 0.616 4.965 4.350 -0.002 0.000 0.255 130 E C 1.210 177.811 176.600 0.003 0.000 1.188 130 E CA 0.328 56.729 56.400 0.001 0.000 0.940 130 E CB 0.628 30.327 29.700 -0.003 0.000 1.094 130 E HN 0.497 nan 8.360 nan 0.000 0.474 131 G N 1.334 110.136 108.800 0.004 0.000 2.796 131 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.226 131 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.226 131 G C -0.229 174.676 174.900 0.009 0.000 1.381 131 G CA 0.093 45.196 45.100 0.006 0.000 0.867 131 G HN 0.739 nan 8.290 nan 0.000 0.552 132 D N -0.319 120.087 120.400 0.011 0.000 2.463 132 D HA 0.255 4.894 4.640 -0.002 0.000 0.224 132 D C 0.624 176.933 176.300 0.016 0.000 1.174 132 D CA 0.298 54.307 54.000 0.014 0.000 0.829 132 D CB 0.287 41.096 40.800 0.015 0.000 0.993 132 D HN 0.809 nan 8.370 nan 0.000 0.497 133 E N 0.829 121.038 120.200 0.015 0.000 2.383 133 E HA 0.049 4.398 4.350 -0.002 0.000 0.264 133 E C -0.171 176.442 176.600 0.022 0.000 1.050 133 E CA -0.336 56.075 56.400 0.019 0.000 0.896 133 E CB 0.662 30.373 29.700 0.019 0.000 0.982 133 E HN -0.038 nan 8.360 nan 0.000 0.424 134 E N 2.901 123.118 120.200 0.028 0.000 2.277 134 E HA 0.286 4.635 4.350 -0.002 0.000 0.274 134 E C -0.580 176.043 176.600 0.039 0.000 1.022 134 E CA -0.425 55.994 56.400 0.032 0.000 0.853 134 E CB 1.104 30.826 29.700 0.038 0.000 1.086 134 E HN 0.459 nan 8.360 nan 0.000 0.397 135 L N 1.587 122.833 121.223 0.038 0.000 2.322 135 L HA 0.382 4.721 4.340 -0.002 0.000 0.281 135 L C 0.548 177.459 176.870 0.068 0.000 1.014 135 L CA -0.905 53.964 54.840 0.049 0.000 0.815 135 L CB 1.221 43.298 42.059 0.030 0.000 1.247 135 L HN 0.385 nan 8.230 nan 0.000 0.421 136 K N 4.706 125.154 120.400 0.081 0.000 2.339 136 K HA 0.650 4.969 4.320 -0.002 0.000 0.286 136 K C -0.538 176.138 176.600 0.126 0.000 1.050 136 K CA 0.004 56.351 56.287 0.100 0.000 0.956 136 K CB 0.635 33.185 32.500 0.082 0.000 0.990 136 K HN 0.640 nan 8.250 nan 0.000 0.475 137 M N 1.723 121.435 119.600 0.187 0.000 2.602 137 M HA 0.687 5.166 4.480 -0.002 0.000 0.312 137 M C -1.246 175.260 176.300 0.343 0.000 1.181 137 M CA -1.304 54.145 55.300 0.248 0.000 0.910 137 M CB 1.978 34.713 32.600 0.224 0.000 1.723 137 M HN 0.600 nan 8.290 nan 0.000 0.459 138 L N 1.825 123.260 121.223 0.354 0.000 2.562 138 L HA 0.831 5.170 4.340 -0.002 0.000 0.266 138 L C -1.599 175.546 176.870 0.459 0.000 0.949 138 L CA -0.156 54.907 54.840 0.372 0.000 0.879 138 L CB 1.594 43.809 42.059 0.260 0.000 1.278 138 L HN 0.797 nan 8.230 nan 0.000 0.404 139 A N 4.290 127.408 122.820 0.498 0.000 2.312 139 A HA 0.899 5.218 4.320 -0.002 0.000 0.328 139 A C -1.030 176.833 177.584 0.465 0.000 1.158 139 A CA -0.288 52.019 52.037 0.449 0.000 0.821 139 A CB 0.672 19.916 19.000 0.407 0.000 1.170 139 A HN 1.139 nan 8.150 nan 0.000 0.490 140 F N 0.160 120.248 119.950 0.231 0.000 2.619 140 F HA 0.794 5.320 4.527 -0.002 0.000 0.308 140 F C -1.370 174.452 175.800 0.036 0.000 1.097 140 F CA -0.969 57.106 58.000 0.124 0.000 0.953 140 F CB 1.609 40.677 39.000 0.114 0.000 1.287 140 F HN 0.483 nan 8.300 nan 0.000 0.446 141 D N 1.834 122.243 120.400 0.015 0.000 2.523 141 D HA 0.604 5.243 4.640 -0.002 0.000 0.236 141 D C -1.784 174.515 176.300 -0.002 0.000 1.094 141 D CA -0.326 53.615 54.000 -0.098 0.000 0.942 141 D CB 2.865 43.607 40.800 -0.097 0.000 1.447 141 D HN 0.614 nan 8.370 nan 0.000 0.479 142 I N 1.544 122.109 120.570 -0.008 0.000 2.509 142 I HA 0.326 4.495 4.170 -0.002 0.000 0.293 142 I C -0.894 175.218 176.117 -0.009 0.000 1.020 142 I CA -0.484 60.802 61.300 -0.023 0.000 1.088 142 I CB 1.865 39.823 38.000 -0.070 0.000 1.267 142 I HN 0.198 nan 8.210 nan 0.000 0.430 143 E N 3.830 123.999 120.200 -0.051 0.000 2.185 143 E HA 0.513 4.862 4.350 -0.002 0.000 0.261 143 E C -0.394 176.132 176.600 -0.123 0.000 0.879 143 E CA -0.337 56.040 56.400 -0.038 0.000 0.756 143 E CB 1.206 30.905 29.700 -0.002 0.000 1.152 143 E HN 0.681 nan 8.360 nan 0.000 0.416 144 T N 0.194 114.658 114.554 -0.150 0.000 2.864 144 T HA 0.580 4.929 4.350 -0.002 0.000 0.276 144 T C -0.611 174.000 174.700 -0.148 0.000 1.006 144 T CA -0.833 61.136 62.100 -0.220 0.000 0.970 144 T CB 0.526 69.120 68.868 -0.456 0.000 1.420 144 T HN 0.211 nan 8.240 nan 0.000 0.601 145 L N 1.508 122.680 121.223 -0.085 0.000 2.384 145 L HA 0.485 4.824 4.340 -0.002 0.000 0.261 145 L C -1.326 175.541 176.870 -0.004 0.000 1.024 145 L CA -0.937 53.837 54.840 -0.110 0.000 0.899 145 L CB 0.274 42.237 42.059 -0.159 0.000 1.243 145 L HN 0.738 nan 8.230 nan 0.000 0.449 146 Y N 3.915 124.129 120.300 -0.144 0.000 2.299 146 Y HA 0.475 5.024 4.550 -0.002 0.000 0.326 146 Y C -0.492 175.232 175.900 -0.294 0.000 1.164 146 Y CA -0.044 58.008 58.100 -0.079 0.000 1.234 146 Y CB 0.575 39.040 38.460 0.008 0.000 1.219 146 Y HN 0.487 nan 8.280 nan 0.000 0.497 147 H N 5.632 124.266 119.070 -0.727 0.000 3.108 147 H HA 0.094 4.649 4.556 -0.002 0.000 0.301 147 H C -0.545 174.302 175.328 -0.801 0.000 1.139 147 H CA -0.709 55.022 56.048 -0.528 0.000 1.552 147 H CB 0.988 30.621 29.762 -0.216 0.000 1.663 147 H HN 0.777 nan 8.280 nan 0.000 0.517 148 E N 1.299 121.111 120.200 -0.648 0.000 2.812 148 E HA -0.136 4.213 4.350 -0.002 0.000 0.276 148 E C 0.940 177.485 176.600 -0.092 0.000 0.946 148 E CA 1.961 58.232 56.400 -0.214 0.000 0.971 148 E CB 0.491 30.275 29.700 0.140 0.000 0.960 148 E HN 0.984 nan 8.360 nan 0.000 0.479 149 G N 4.255 113.062 108.800 0.012 0.000 4.165 149 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.211 149 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.211 149 G C -0.107 174.809 174.900 0.026 0.000 1.469 149 G CA 0.298 45.416 45.100 0.030 0.000 0.964 149 G HN 0.819 nan 8.290 nan 0.000 0.613 150 E N 2.363 122.554 120.200 -0.015 0.000 2.534 150 E HA 0.430 4.779 4.350 -0.002 0.000 0.264 150 E C 0.528 177.160 176.600 0.053 0.000 0.981 150 E CA 0.496 56.898 56.400 0.003 0.000 0.948 150 E CB 0.066 29.754 29.700 -0.019 0.000 0.934 150 E HN 1.234 nan 8.360 nan 0.000 0.459 151 E N 3.582 123.817 120.200 0.058 0.000 2.485 151 E HA -0.017 4.332 4.350 -0.002 0.000 0.266 151 E C -0.302 176.385 176.600 0.145 0.000 1.090 151 E CA 0.136 56.595 56.400 0.099 0.000 0.987 151 E CB 0.130 29.864 29.700 0.057 0.000 0.974 151 E HN 0.484 nan 8.360 nan 0.000 0.455 152 F N 1.306 121.282 119.950 0.043 0.000 2.602 152 F HA 0.329 4.855 4.527 -0.002 0.000 0.367 152 F C 1.608 177.354 175.800 -0.091 0.000 1.126 152 F CA 0.645 58.673 58.000 0.047 0.000 1.321 152 F CB -0.038 38.988 39.000 0.043 0.000 1.094 152 F HN 1.317 nan 8.300 nan 0.000 0.594 153 A N 3.558 125.766 122.820 -1.020 0.000 2.979 153 A HA -0.278 4.041 4.320 -0.002 0.000 0.260 153 A C 1.930 179.168 177.584 -0.577 0.000 1.282 153 A CA 1.134 52.286 52.037 -1.476 0.000 0.971 153 A CB -2.411 15.405 19.000 -1.974 0.000 1.124 153 A HN 0.831 nan 8.150 nan 0.000 0.826 154 E N 0.019 120.085 120.200 -0.223 0.000 2.049 154 E HA -0.138 4.211 4.350 -0.002 0.000 0.198 154 E C 1.458 178.044 176.600 -0.023 0.000 1.007 154 E CA 1.634 57.981 56.400 -0.087 0.000 0.809 154 E CB -0.558 29.138 29.700 -0.007 0.000 0.749 154 E HN 0.996 nan 8.360 nan 0.000 0.450 155 G N 1.660 110.514 108.800 0.090 0.000 2.537 155 G HA2 0.296 4.255 3.960 -0.002 0.000 0.273 155 G HA3 0.296 4.255 3.960 -0.002 0.000 0.273 155 G C -2.427 172.581 174.900 0.180 0.000 1.189 155 G CA -0.907 44.286 45.100 0.155 0.000 0.881 155 G HN 0.067 nan 8.290 nan 0.000 0.535 156 P HA 0.235 nan 4.420 nan 0.000 0.274 156 P C -0.164 177.235 177.300 0.166 0.000 1.246 156 P CA -0.336 62.849 63.100 0.141 0.000 0.795 156 P CB 1.410 33.186 31.700 0.127 0.000 1.006 157 I N 2.029 122.674 120.570 0.126 0.000 2.471 157 I HA 0.028 4.197 4.170 -0.002 0.000 0.286 157 I C 1.887 178.097 176.117 0.155 0.000 1.079 157 I CA -0.209 61.110 61.300 0.032 0.000 1.398 157 I CB 0.494 38.492 38.000 -0.004 0.000 1.403 157 I HN 0.256 nan 8.210 nan 0.000 0.530 158 L N 6.099 127.263 121.223 -0.099 0.000 2.162 158 L HA 0.158 4.496 4.340 -0.002 0.000 0.205 158 L C 0.442 177.291 176.870 -0.036 0.000 1.086 158 L CA 1.033 55.659 54.840 -0.356 0.000 0.778 158 L CB -0.098 41.541 42.059 -0.700 0.000 0.928 158 L HN 0.602 nan 8.230 nan 0.000 0.446 159 M N -1.251 118.355 119.600 0.009 0.000 2.682 159 M HA 0.408 4.887 4.480 -0.002 0.000 0.272 159 M C -1.460 174.849 176.300 0.014 0.000 1.232 159 M CA -0.261 55.079 55.300 0.068 0.000 0.849 159 M CB 3.360 36.003 32.600 0.071 0.000 1.695 159 M HN -0.211 nan 8.290 nan 0.000 0.481 160 I N 1.818 122.400 120.570 0.021 0.000 2.563 160 I HA 0.279 4.447 4.170 -0.002 0.000 0.276 160 I C -0.248 175.882 176.117 0.021 0.000 1.074 160 I CA -0.435 60.813 61.300 -0.085 0.000 1.124 160 I CB 1.308 39.176 38.000 -0.220 0.000 1.225 160 I HN 0.731 nan 8.210 nan 0.000 0.482 161 S N 5.306 121.017 115.700 0.020 0.000 2.610 161 S HA 0.714 5.183 4.470 -0.002 0.000 0.273 161 S C -0.713 173.990 174.600 0.172 0.000 1.274 161 S CA -0.348 57.877 58.200 0.041 0.000 1.023 161 S CB 1.254 64.429 63.200 -0.043 0.000 0.962 161 S HN 0.528 nan 8.310 nan 0.000 0.523 162 Y N -1.849 118.462 120.300 0.019 0.000 2.480 162 Y HA 0.773 5.322 4.550 -0.002 0.000 0.329 162 Y C 0.135 176.059 175.900 0.040 0.000 1.127 162 Y CA -1.018 57.139 58.100 0.094 0.000 1.037 162 Y CB 0.710 39.272 38.460 0.170 0.000 1.320 162 Y HN 0.731 nan 8.280 nan 0.000 0.446 163 A N 1.695 124.600 122.820 0.141 0.000 2.109 163 A HA 0.309 4.628 4.320 -0.002 0.000 0.220 163 A C 0.352 177.861 177.584 -0.125 0.000 1.613 163 A CA 1.441 53.447 52.037 -0.052 0.000 0.620 163 A CB -0.597 18.402 19.000 -0.003 0.000 1.212 163 A HN 1.075 nan 8.150 nan 0.000 0.508 164 D N -2.828 117.430 120.400 -0.237 0.000 10.757 164 D HA -0.158 4.481 4.640 -0.002 0.000 0.352 164 D C 0.209 176.077 176.300 -0.720 0.000 3.129 164 D CA 0.958 54.769 54.000 -0.316 0.000 2.630 164 D CB -0.509 40.314 40.800 0.037 0.000 1.214 164 D HN 0.312 nan 8.370 nan 0.000 0.943 165 E N 0.762 120.693 120.200 -0.448 0.000 2.268 165 E HA -0.153 4.196 4.350 -0.002 0.000 0.195 165 E C 1.767 178.281 176.600 -0.144 0.000 0.995 165 E CA 2.189 58.434 56.400 -0.257 0.000 0.836 165 E CB -0.013 29.707 29.700 0.034 0.000 0.763 165 E HN 0.440 nan 8.360 nan 0.000 0.491 166 E N -0.191 119.944 120.200 -0.107 0.000 2.122 166 E HA 0.024 4.373 4.350 -0.002 0.000 0.190 166 E C 0.351 176.905 176.600 -0.078 0.000 0.977 166 E CA 1.161 57.529 56.400 -0.053 0.000 0.820 166 E CB 0.231 29.930 29.700 -0.002 0.000 0.770 166 E HN 0.124 nan 8.360 nan 0.000 0.462 167 G N 0.137 108.861 108.800 -0.126 0.000 2.351 167 G HA2 0.380 4.339 3.960 -0.002 0.000 0.296 167 G HA3 0.380 4.339 3.960 -0.002 0.000 0.296 167 G C -1.232 173.545 174.900 -0.205 0.000 1.685 167 G CA -0.367 44.645 45.100 -0.147 0.000 0.936 167 G HN 0.364 nan 8.290 nan 0.000 0.714 168 A N 1.797 124.467 122.820 -0.250 0.000 2.450 168 A HA 0.793 5.112 4.320 -0.002 0.000 0.255 168 A C 0.739 178.093 177.584 -0.384 0.000 1.096 168 A CA 0.177 52.019 52.037 -0.324 0.000 0.778 168 A CB 0.330 19.149 19.000 -0.301 0.000 1.031 168 A HN 0.763 nan 8.150 nan 0.000 0.494 169 R N 1.067 121.220 120.500 -0.578 0.000 2.837 169 R HA 0.696 5.035 4.340 -0.002 0.000 0.271 169 R C -1.556 174.501 176.300 -0.405 0.000 0.993 169 R CA -0.845 54.979 56.100 -0.460 0.000 0.931 169 R CB 2.373 32.337 30.300 -0.561 0.000 1.206 169 R HN 0.444 nan 8.270 nan 0.000 0.474 170 V N 2.768 122.639 119.914 -0.072 0.000 2.604 170 V HA 0.413 4.532 4.120 -0.002 0.000 0.305 170 V C -0.568 175.597 176.094 0.119 0.000 1.043 170 V CA -0.831 61.491 62.300 0.038 0.000 0.888 170 V CB 2.153 34.044 31.823 0.113 0.000 0.995 170 V HN 0.541 nan 8.190 nan 0.000 0.429 171 I N 3.475 124.139 120.570 0.157 0.000 2.337 171 I HA 0.356 4.525 4.170 -0.002 0.000 0.285 171 I C 0.266 176.490 176.117 0.178 0.000 1.041 171 I CA 0.209 61.620 61.300 0.185 0.000 1.199 171 I CB 0.879 39.005 38.000 0.209 0.000 1.370 171 I HN 0.611 nan 8.210 nan 0.000 0.470 172 T N 5.252 119.920 114.554 0.189 0.000 2.829 172 T HA 0.272 4.621 4.350 -0.002 0.000 0.280 172 T C 0.500 175.388 174.700 0.312 0.000 0.999 172 T CA -0.455 61.790 62.100 0.241 0.000 0.983 172 T CB 1.035 70.021 68.868 0.196 0.000 0.968 172 T HN 0.612 nan 8.240 nan 0.000 0.446 173 W N 5.808 127.246 121.300 0.229 0.000 2.770 173 W HA 0.401 5.061 4.660 -0.001 0.000 0.256 173 W C 0.604 177.243 176.519 0.200 0.000 1.291 173 W CA -0.076 57.394 57.345 0.208 0.000 1.396 173 W CB -0.016 29.569 29.460 0.209 0.000 1.114 173 W HN 0.500 nan 8.180 nan 0.000 0.637 174 K N 1.103 121.465 120.400 -0.063 0.000 2.526 174 K HA 0.208 4.527 4.320 -0.002 0.000 0.256 174 K C -0.699 175.807 176.600 -0.157 0.000 1.035 174 K CA -0.889 55.175 56.287 -0.372 0.000 1.011 174 K CB 0.470 32.311 32.500 -1.098 0.000 1.343 174 K HN -0.149 nan 8.250 nan 0.000 0.510 175 N N -0.138 118.438 118.700 -0.206 0.000 2.399 175 N HA 0.400 5.138 4.740 -0.002 0.000 0.295 175 N C -1.880 173.562 175.510 -0.114 0.000 1.048 175 N CA -0.447 52.536 53.050 -0.112 0.000 0.886 175 N CB 1.410 39.842 38.487 -0.092 0.000 1.185 175 N HN 0.210 nan 8.380 nan 0.000 0.487 176 V N 1.419 121.291 119.914 -0.071 0.000 3.087 176 V HA 0.350 4.469 4.120 -0.002 0.000 0.306 176 V C -1.293 174.753 176.094 -0.080 0.000 1.187 176 V CA -0.936 61.321 62.300 -0.073 0.000 0.999 176 V CB 2.198 33.991 31.823 -0.050 0.000 1.049 176 V HN 0.652 nan 8.190 nan 0.000 0.431 177 D N 3.064 123.406 120.400 -0.096 0.000 2.462 177 D HA 0.622 5.261 4.640 -0.002 0.000 0.249 177 D C -1.313 174.885 176.300 -0.170 0.000 1.117 177 D CA 0.054 53.989 54.000 -0.109 0.000 0.900 177 D CB 0.754 41.506 40.800 -0.081 0.000 1.039 177 D HN 0.437 nan 8.370 nan 0.000 0.516 178 L N 4.395 125.468 121.223 -0.250 0.000 2.493 178 L HA 0.355 4.694 4.340 -0.002 0.000 0.265 178 L C -1.530 175.088 176.870 -0.420 0.000 0.954 178 L CA -1.611 52.957 54.840 -0.454 0.000 0.844 178 L CB 2.870 44.426 42.059 -0.838 0.000 1.302 178 L HN 0.014 nan 8.230 nan 0.000 0.405 179 P HA -0.200 nan 4.420 nan 0.000 0.225 179 P C 0.336 177.612 177.300 -0.039 0.000 1.141 179 P CA 1.486 64.514 63.100 -0.119 0.000 0.774 179 P CB -0.205 31.476 31.700 -0.033 0.000 0.760 180 Y N -3.297 116.985 120.300 -0.029 0.000 2.682 180 Y HA 0.577 5.125 4.550 -0.002 0.000 0.251 180 Y C -0.199 175.673 175.900 -0.047 0.000 1.172 180 Y CA -0.981 57.089 58.100 -0.050 0.000 1.186 180 Y CB 0.069 38.485 38.460 -0.073 0.000 1.216 180 Y HN -0.375 nan 8.280 nan 0.000 0.540 181 V N 2.266 122.148 119.914 -0.053 0.000 2.444 181 V HA 0.296 4.415 4.120 -0.002 0.000 0.294 181 V C -1.004 175.102 176.094 0.020 0.000 1.022 181 V CA -0.822 61.483 62.300 0.007 0.000 0.850 181 V CB 1.704 33.487 31.823 -0.067 0.000 0.992 181 V HN 0.196 nan 8.190 nan 0.000 0.426 182 D N 3.908 124.352 120.400 0.072 0.000 2.392 182 D HA 0.378 5.017 4.640 -0.002 0.000 0.228 182 D C -0.203 176.156 176.300 0.100 0.000 1.074 182 D CA -0.115 53.934 54.000 0.081 0.000 0.838 182 D CB 2.360 43.224 40.800 0.108 0.000 1.067 182 D HN 0.232 nan 8.370 nan 0.000 0.511 183 V N 2.285 122.246 119.914 0.079 0.000 2.775 183 V HA 0.240 4.359 4.120 -0.002 0.000 0.299 183 V C 0.996 177.163 176.094 0.122 0.000 1.062 183 V CA -0.281 62.079 62.300 0.100 0.000 1.063 183 V CB 1.577 33.436 31.823 0.059 0.000 0.994 183 V HN 0.293 nan 8.190 nan 0.000 0.483 184 V N 2.501 122.518 119.914 0.172 0.000 5.412 184 V HA 0.435 4.554 4.120 -0.002 0.000 0.289 184 V C 0.834 177.033 176.094 0.175 0.000 1.523 184 V CA 0.099 62.495 62.300 0.160 0.000 0.771 184 V CB 1.181 33.105 31.823 0.169 0.000 1.379 184 V HN 0.838 nan 8.190 nan 0.000 0.431 185 S N -0.547 115.247 115.700 0.158 0.000 2.583 185 S HA 0.183 4.652 4.470 -0.002 0.000 0.203 185 S C 0.649 175.356 174.600 0.178 0.000 0.952 185 S CA 0.833 59.118 58.200 0.141 0.000 0.887 185 S CB 0.196 63.437 63.200 0.068 0.000 0.857 185 S HN 0.831 nan 8.310 nan 0.000 0.611 186 T N 0.170 114.726 114.554 0.003 0.000 2.883 186 T HA 0.333 4.682 4.350 -0.002 0.000 0.284 186 T C 0.689 175.016 174.700 -0.622 0.000 1.041 186 T CA -0.568 61.343 62.100 -0.314 0.000 1.007 186 T CB 1.531 70.246 68.868 -0.256 0.000 1.220 186 T HN 0.302 nan 8.240 nan 0.000 0.552 187 E N 0.315 119.731 120.200 -1.306 0.000 2.160 187 E HA -0.192 4.157 4.350 -0.002 0.000 0.195 187 E C 2.041 178.394 176.600 -0.412 0.000 0.991 187 E CA 1.051 56.806 56.400 -1.074 0.000 0.810 187 E CB -0.025 28.912 29.700 -1.271 0.000 0.742 187 E HN 0.567 nan 8.360 nan 0.000 0.466 188 R N 0.302 120.600 120.500 -0.336 0.000 2.062 188 R HA -0.124 4.215 4.340 -0.002 0.000 0.231 188 R C 2.090 178.333 176.300 -0.095 0.000 1.136 188 R CA 1.592 57.583 56.100 -0.183 0.000 0.948 188 R CB -0.019 30.188 30.300 -0.154 0.000 0.845 188 R HN 0.094 nan 8.270 nan 0.000 0.430 189 E N 0.719 120.877 120.200 -0.071 0.000 2.267 189 E HA -0.257 4.092 4.350 -0.002 0.000 0.197 189 E C 1.788 178.414 176.600 0.042 0.000 0.998 189 E CA 1.197 57.595 56.400 -0.004 0.000 0.830 189 E CB -0.305 29.404 29.700 0.015 0.000 0.751 189 E HN 0.514 nan 8.360 nan 0.000 0.491 190 M N 0.505 120.135 119.600 0.051 0.000 2.062 190 M HA -0.138 4.341 4.480 -0.002 0.000 0.259 190 M C 2.190 178.555 176.300 0.108 0.000 1.076 190 M CA 1.569 56.938 55.300 0.114 0.000 1.122 190 M CB -0.139 32.556 32.600 0.159 0.000 1.312 190 M HN -0.016 nan 8.290 nan 0.000 0.412 191 I N 0.284 120.893 120.570 0.065 0.000 2.399 191 I HA -0.320 3.849 4.170 -0.002 0.000 0.254 191 I C 2.182 178.388 176.117 0.148 0.000 1.146 191 I CA 1.320 62.684 61.300 0.107 0.000 1.412 191 I CB -0.646 37.342 38.000 -0.019 0.000 1.076 191 I HN 0.418 nan 8.210 nan 0.000 0.432 192 K N 0.160 120.607 120.400 0.080 0.000 2.155 192 K HA -0.073 4.246 4.320 -0.002 0.000 0.203 192 K C 2.357 178.994 176.600 0.061 0.000 1.052 192 K CA 0.535 56.859 56.287 0.061 0.000 0.948 192 K CB -0.013 32.503 32.500 0.027 0.000 0.728 192 K HN 0.119 nan 8.250 nan 0.000 0.448 193 R N 0.536 121.089 120.500 0.088 0.000 2.062 193 R HA -0.079 4.260 4.340 -0.002 0.000 0.229 193 R C 2.123 178.473 176.300 0.083 0.000 1.128 193 R CA 1.051 57.200 56.100 0.081 0.000 0.960 193 R CB -0.652 29.715 30.300 0.111 0.000 0.855 193 R HN 0.160 nan 8.270 nan 0.000 0.432 194 F N 1.668 121.583 119.950 -0.058 0.000 2.063 194 F HA -0.256 4.270 4.527 -0.002 0.000 0.298 194 F C 2.200 177.886 175.800 -0.191 0.000 1.109 194 F CA 1.535 59.441 58.000 -0.157 0.000 1.212 194 F CB -0.958 37.973 39.000 -0.115 0.000 0.973 194 F HN 0.025 nan 8.300 nan 0.000 0.480 195 L N 0.232 121.314 121.223 -0.234 0.000 2.079 195 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 195 L C 2.812 179.507 176.870 -0.291 0.000 1.081 195 L CA 1.921 56.537 54.840 -0.373 0.000 0.752 195 L CB -0.489 41.503 42.059 -0.113 0.000 0.896 195 L HN 0.197 nan 8.230 nan 0.000 0.433 196 R N -1.246 119.158 120.500 -0.160 0.000 2.115 196 R HA -0.097 4.242 4.340 -0.002 0.000 0.226 196 R C 1.993 178.205 176.300 -0.146 0.000 1.100 196 R CA 1.297 57.325 56.100 -0.120 0.000 0.980 196 R CB -0.018 30.251 30.300 -0.052 0.000 0.875 196 R HN 0.282 nan 8.270 nan 0.000 0.445 197 V N 0.060 119.864 119.914 -0.183 0.000 2.283 197 V HA -0.183 3.936 4.120 -0.002 0.000 0.243 197 V C 2.312 178.241 176.094 -0.274 0.000 1.039 197 V CA 1.448 63.622 62.300 -0.210 0.000 1.016 197 V CB -0.134 31.501 31.823 -0.313 0.000 0.650 197 V HN 0.147 nan 8.190 nan 0.000 0.449 198 V N -0.074 119.580 119.914 -0.433 0.000 2.332 198 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 198 V C 2.457 178.366 176.094 -0.310 0.000 1.055 198 V CA 2.223 64.253 62.300 -0.450 0.000 1.038 198 V CB -0.700 30.659 31.823 -0.773 0.000 0.651 198 V HN 0.438 nan 8.190 nan 0.000 0.450 199 K N -0.050 120.174 120.400 -0.295 0.000 2.211 199 K HA -0.138 4.181 4.320 -0.002 0.000 0.203 199 K C 2.026 178.537 176.600 -0.149 0.000 1.050 199 K CA 1.286 57.444 56.287 -0.216 0.000 0.945 199 K CB -0.134 32.251 32.500 -0.192 0.000 0.732 199 K HN 0.618 nan 8.250 nan 0.000 0.451 200 E N 0.068 120.188 120.200 -0.134 0.000 2.014 200 E HA -0.091 4.258 4.350 -0.002 0.000 0.190 200 E C 1.505 178.068 176.600 -0.063 0.000 0.980 200 E CA 1.085 57.436 56.400 -0.082 0.000 0.807 200 E CB 0.089 29.749 29.700 -0.066 0.000 0.770 200 E HN 0.106 nan 8.360 nan 0.000 0.451 201 K N 0.531 120.893 120.400 -0.065 0.000 2.209 201 K HA -0.151 4.168 4.320 -0.002 0.000 0.204 201 K C -0.053 176.525 176.600 -0.036 0.000 1.048 201 K CA 0.975 57.245 56.287 -0.030 0.000 0.940 201 K CB -0.224 32.269 32.500 -0.013 0.000 0.729 201 K HN 0.225 nan 8.250 nan 0.000 0.451 202 D N 0.584 120.937 120.400 -0.079 0.000 3.400 202 D HA -0.105 4.534 4.640 -0.002 0.000 0.226 202 D C -2.483 173.787 176.300 -0.050 0.000 1.152 202 D CA -0.114 53.830 54.000 -0.094 0.000 1.008 202 D CB 0.216 40.964 40.800 -0.085 0.000 0.866 202 D HN 0.101 nan 8.370 nan 0.000 0.402 203 P HA 0.241 nan 4.420 nan 0.000 0.280 203 P C -0.064 177.247 177.300 0.019 0.000 1.272 203 P CA -0.421 62.692 63.100 0.021 0.000 0.819 203 P CB 1.029 32.766 31.700 0.063 0.000 1.122 204 D N -0.740 119.699 120.400 0.065 0.000 2.277 204 D HA 0.080 4.718 4.640 -0.002 0.000 0.209 204 D C 0.394 176.749 176.300 0.092 0.000 0.970 204 D CA 1.045 55.091 54.000 0.077 0.000 0.874 204 D CB 0.562 41.417 40.800 0.092 0.000 0.982 204 D HN 0.103 nan 8.370 nan 0.000 0.504 205 V N 1.273 121.259 119.914 0.120 0.000 2.864 205 V HA 0.431 4.550 4.120 -0.002 0.000 0.314 205 V C -0.293 175.949 176.094 0.248 0.000 1.073 205 V CA -0.773 61.631 62.300 0.173 0.000 0.956 205 V CB 2.965 34.863 31.823 0.124 0.000 1.023 205 V HN -0.067 nan 8.190 nan 0.000 0.435 206 L N 4.154 125.592 121.223 0.358 0.000 2.372 206 L HA 0.604 4.943 4.340 -0.002 0.000 0.274 206 L C -0.964 176.241 176.870 0.559 0.000 0.988 206 L CA -0.300 54.827 54.840 0.477 0.000 0.833 206 L CB 1.765 44.152 42.059 0.547 0.000 1.236 206 L HN 0.513 nan 8.230 nan 0.000 0.410 207 I N 2.793 123.656 120.570 0.488 0.000 2.359 207 I HA 0.546 4.715 4.170 -0.002 0.000 0.294 207 I C 0.207 176.480 176.117 0.260 0.000 0.987 207 I CA -0.273 61.278 61.300 0.418 0.000 1.225 207 I CB 1.895 40.130 38.000 0.391 0.000 1.366 207 I HN 0.560 nan 8.210 nan 0.000 0.466 208 T N 1.813 116.484 114.554 0.194 0.000 2.894 208 T HA 0.406 4.755 4.350 -0.002 0.000 0.309 208 T C -1.343 173.419 174.700 0.103 0.000 1.208 208 T CA -0.731 61.393 62.100 0.040 0.000 1.016 208 T CB 1.663 70.556 68.868 0.042 0.000 1.192 208 T HN 0.357 nan 8.240 nan 0.000 0.491 209 Y N 2.778 123.060 120.300 -0.030 0.000 2.417 209 Y HA 0.478 5.027 4.550 -0.002 0.000 0.336 209 Y C 0.811 176.728 175.900 0.029 0.000 0.961 209 Y CA -0.628 57.477 58.100 0.009 0.000 1.215 209 Y CB 0.395 38.864 38.460 0.015 0.000 1.120 209 Y HN 1.067 nan 8.280 nan 0.000 0.499 210 N N 2.465 120.958 118.700 -0.345 0.000 2.780 210 N HA -0.173 4.566 4.740 -0.002 0.000 0.248 210 N C 0.959 176.459 175.510 -0.016 0.000 1.102 210 N CA 1.017 53.876 53.050 -0.318 0.000 0.697 210 N CB -1.056 37.128 38.487 -0.505 0.000 1.028 210 N HN 0.952 nan 8.380 nan 0.000 0.554 211 G N -0.831 108.045 108.800 0.127 0.000 2.572 211 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.216 211 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.216 211 G C 1.088 176.273 174.900 0.475 0.000 1.133 211 G CA 0.807 46.111 45.100 0.339 0.000 0.791 211 G HN 0.455 nan 8.290 nan 0.000 0.538 212 D N 0.630 121.245 120.400 0.360 0.000 2.178 212 D HA -0.046 4.592 4.640 -0.002 0.000 0.202 212 D C 1.847 178.285 176.300 0.230 0.000 0.974 212 D CA 0.676 54.866 54.000 0.317 0.000 0.841 212 D CB 0.135 41.030 40.800 0.159 0.000 0.953 212 D HN 0.182 nan 8.370 nan 0.000 0.478 213 N N -1.277 117.510 118.700 0.145 0.000 2.348 213 N HA 0.030 4.769 4.740 -0.002 0.000 0.183 213 N C 0.864 176.475 175.510 0.167 0.000 1.094 213 N CA 0.054 53.169 53.050 0.108 0.000 0.885 213 N CB 0.750 39.232 38.487 -0.010 0.000 1.065 213 N HN 0.161 nan 8.380 nan 0.000 0.472 214 F N 1.114 121.097 119.950 0.055 0.000 2.043 214 F HA 0.229 4.755 4.527 -0.001 0.000 0.236 214 F C 1.071 177.029 175.800 0.263 0.000 1.117 214 F CA 0.109 58.185 58.000 0.127 0.000 1.263 214 F CB -0.394 38.637 39.000 0.052 0.000 1.642 214 F HN -0.312 nan 8.300 nan 0.000 0.518 215 D N 1.227 121.649 120.400 0.036 0.000 2.472 215 D HA -0.306 4.333 4.640 -0.002 0.000 0.194 215 D C 2.179 178.480 176.300 0.003 0.000 1.023 215 D CA 2.743 56.685 54.000 -0.097 0.000 0.869 215 D CB -1.075 39.691 40.800 -0.055 0.000 0.997 215 D HN 0.324 nan 8.370 nan 0.000 0.463 216 F N 0.885 120.936 119.950 0.168 0.000 2.069 216 F HA -0.212 4.314 4.527 -0.002 0.000 0.298 216 F C 2.608 178.496 175.800 0.147 0.000 1.113 216 F CA 1.463 59.595 58.000 0.219 0.000 1.214 216 F CB -0.603 38.499 39.000 0.171 0.000 0.978 216 F HN -0.027 nan 8.300 nan 0.000 0.474 217 A N -1.130 121.877 122.820 0.311 0.000 1.986 217 A HA -0.300 4.019 4.320 -0.002 0.000 0.220 217 A C 1.988 179.671 177.584 0.165 0.000 1.171 217 A CA 1.827 53.997 52.037 0.221 0.000 0.640 217 A CB -1.426 17.694 19.000 0.199 0.000 0.811 217 A HN 0.544 nan 8.150 nan 0.000 0.451 218 Y N -0.052 120.232 120.300 -0.026 0.000 2.133 218 Y HA -0.131 4.418 4.550 -0.001 0.000 0.287 218 Y C 2.121 177.872 175.900 -0.248 0.000 1.134 218 Y CA 1.949 59.889 58.100 -0.266 0.000 1.133 218 Y CB -0.253 37.903 38.460 -0.507 0.000 0.987 218 Y HN 0.227 nan 8.280 nan 0.000 0.502 219 L N 0.207 121.446 121.223 0.027 0.000 2.189 219 L HA -0.292 4.047 4.340 -0.002 0.000 0.214 219 L C 2.441 179.137 176.870 -0.290 0.000 1.097 219 L CA 1.588 56.329 54.840 -0.164 0.000 0.764 219 L CB -0.511 41.471 42.059 -0.128 0.000 0.900 219 L HN 0.186 nan 8.230 nan 0.000 0.436 220 K N 0.056 120.389 120.400 -0.110 0.000 1.973 220 K HA -0.189 4.130 4.320 -0.002 0.000 0.212 220 K C 2.276 178.769 176.600 -0.178 0.000 1.047 220 K CA 1.228 57.459 56.287 -0.094 0.000 0.937 220 K CB 0.082 32.590 32.500 0.013 0.000 0.721 220 K HN 0.018 nan 8.250 nan 0.000 0.440 221 K N 0.676 120.937 120.400 -0.232 0.000 1.987 221 K HA -0.156 4.163 4.320 -0.002 0.000 0.216 221 K C 1.931 178.369 176.600 -0.272 0.000 1.051 221 K CA 1.398 57.514 56.287 -0.284 0.000 0.942 221 K CB -0.439 31.778 32.500 -0.471 0.000 0.722 221 K HN 0.167 nan 8.250 nan 0.000 0.444 222 R N 0.358 120.675 120.500 -0.306 0.000 2.316 222 R HA -0.111 4.228 4.340 -0.002 0.000 0.232 222 R C 2.213 178.372 176.300 -0.234 0.000 1.137 222 R CA 0.633 56.592 56.100 -0.235 0.000 1.012 222 R CB -1.316 28.889 30.300 -0.158 0.000 0.859 222 R HN 0.306 nan 8.270 nan 0.000 0.474 223 C N -0.639 118.503 119.300 -0.262 0.000 2.558 223 C HA 0.119 4.578 4.460 -0.002 0.000 0.288 223 C C 2.272 177.167 174.990 -0.159 0.000 1.338 223 C CA -0.179 58.688 59.018 -0.251 0.000 1.760 223 C CB -0.008 27.518 27.740 -0.356 0.000 2.159 223 C HN 0.495 nan 8.230 nan 0.000 0.518 224 E N 1.167 121.281 120.200 -0.143 0.000 2.028 224 E HA -0.188 4.161 4.350 -0.002 0.000 0.190 224 E C 1.994 178.533 176.600 -0.102 0.000 0.984 224 E CA 0.936 57.274 56.400 -0.102 0.000 0.800 224 E CB -0.089 29.556 29.700 -0.092 0.000 0.758 224 E HN 0.307 nan 8.360 nan 0.000 0.448 225 K N 1.121 121.448 120.400 -0.123 0.000 2.074 225 K HA -0.112 4.207 4.320 -0.002 0.000 0.209 225 K C 1.588 178.126 176.600 -0.103 0.000 1.048 225 K CA 1.173 57.393 56.287 -0.111 0.000 0.926 225 K CB -0.139 32.282 32.500 -0.130 0.000 0.713 225 K HN 0.067 nan 8.250 nan 0.000 0.444 226 L N -0.237 120.915 121.223 -0.119 0.000 2.611 226 L HA 0.224 4.563 4.340 -0.002 0.000 0.229 226 L C 0.142 176.958 176.870 -0.090 0.000 1.137 226 L CA 0.070 54.844 54.840 -0.111 0.000 0.901 226 L CB -0.123 41.854 42.059 -0.137 0.000 1.098 226 L HN 0.465 nan 8.230 nan 0.000 0.456 227 G N 2.210 110.961 108.800 -0.082 0.000 2.269 227 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.237 227 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.237 227 G C -0.545 174.322 174.900 -0.055 0.000 0.761 227 G CA 0.578 45.642 45.100 -0.061 0.000 1.141 227 G HN 0.365 nan 8.290 nan 0.000 0.319 228 I N 1.081 121.617 120.570 -0.056 0.000 2.649 228 I HA 0.353 4.522 4.170 -0.002 0.000 0.289 228 I C -0.095 176.023 176.117 0.001 0.000 1.222 228 I CA -1.138 60.141 61.300 -0.036 0.000 1.046 228 I CB 1.391 39.355 38.000 -0.059 0.000 1.272 228 I HN 0.424 nan 8.210 nan 0.000 0.425 229 N N 7.012 125.730 118.700 0.030 0.000 2.431 229 N HA 0.075 4.814 4.740 -0.002 0.000 0.265 229 N C -0.800 174.804 175.510 0.158 0.000 1.184 229 N CA -0.187 52.902 53.050 0.065 0.000 0.943 229 N CB 0.437 38.944 38.487 0.033 0.000 1.080 229 N HN 0.629 nan 8.380 nan 0.000 0.477 230 F N 3.729 123.656 119.950 -0.039 0.000 2.669 230 F HA 0.225 4.751 4.527 -0.002 0.000 0.353 230 F C 1.165 176.928 175.800 -0.061 0.000 1.192 230 F CA -1.033 56.940 58.000 -0.044 0.000 1.317 230 F CB 0.112 39.106 39.000 -0.010 0.000 1.652 230 F HN 0.619 nan 8.300 nan 0.000 0.608 231 A N 3.210 126.012 122.820 -0.030 0.000 2.626 231 A HA 0.011 4.330 4.320 -0.002 0.000 0.238 231 A C 1.674 179.101 177.584 -0.262 0.000 1.641 231 A CA 0.240 52.200 52.037 -0.128 0.000 1.449 231 A CB -0.865 18.084 19.000 -0.086 0.000 0.888 231 A HN 0.846 nan 8.150 nan 0.000 0.628 232 L N -0.111 120.858 121.223 -0.423 0.000 2.131 232 L HA -0.097 4.242 4.340 -0.002 0.000 0.210 232 L C 2.034 178.702 176.870 -0.336 0.000 1.092 232 L CA 0.464 55.014 54.840 -0.483 0.000 0.759 232 L CB -0.476 41.218 42.059 -0.608 0.000 0.903 232 L HN 0.640 nan 8.230 nan 0.000 0.435 233 G N -0.949 107.686 108.800 -0.276 0.000 2.484 233 G HA2 -0.087 3.871 3.960 -0.002 0.000 0.235 233 G HA3 -0.087 3.871 3.960 -0.002 0.000 0.235 233 G C 0.688 175.421 174.900 -0.279 0.000 1.282 233 G CA -0.187 44.755 45.100 -0.264 0.000 0.857 233 G HN 0.139 nan 8.290 nan 0.000 0.571 234 R N 0.137 120.417 120.500 -0.366 0.000 2.189 234 R HA -0.054 4.285 4.340 -0.002 0.000 0.223 234 R C 1.669 177.815 176.300 -0.256 0.000 1.092 234 R CA 1.778 57.601 56.100 -0.462 0.000 0.989 234 R CB 0.146 29.882 30.300 -0.941 0.000 0.876 234 R HN 0.683 nan 8.270 nan 0.000 0.457 235 D N -2.627 117.688 120.400 -0.142 0.000 2.369 235 D HA 0.165 4.804 4.640 -0.002 0.000 0.211 235 D C 0.918 177.201 176.300 -0.028 0.000 1.077 235 D CA 0.602 54.597 54.000 -0.008 0.000 0.842 235 D CB 0.400 41.256 40.800 0.094 0.000 0.947 235 D HN 0.209 nan 8.370 nan 0.000 0.509 236 G N 0.300 109.050 108.800 -0.082 0.000 2.176 236 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.232 236 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.232 236 G C 0.461 175.324 174.900 -0.062 0.000 0.986 236 G CA 0.315 45.374 45.100 -0.069 0.000 0.643 236 G HN 0.777 nan 8.290 nan 0.000 0.522 237 S N -0.514 115.142 115.700 -0.072 0.000 2.641 237 S HA 0.692 5.161 4.470 -0.002 0.000 0.261 237 S C 0.088 174.643 174.600 -0.076 0.000 1.257 237 S CA -0.083 58.081 58.200 -0.060 0.000 0.983 237 S CB 1.732 64.894 63.200 -0.064 0.000 0.990 237 S HN 0.427 nan 8.310 nan 0.000 0.572 238 E N 0.671 120.844 120.200 -0.045 0.000 2.222 238 E HA 0.398 4.747 4.350 -0.002 0.000 0.267 238 E C -2.745 173.829 176.600 -0.044 0.000 0.963 238 E CA -2.674 53.718 56.400 -0.014 0.000 0.837 238 E CB 1.053 30.789 29.700 0.060 0.000 1.183 238 E HN 0.403 nan 8.360 nan 0.000 0.403 239 P HA -0.031 nan 4.420 nan 0.000 0.260 239 P C -1.110 176.148 177.300 -0.070 0.000 1.185 239 P CA 0.315 63.348 63.100 -0.113 0.000 0.763 239 P CB 0.273 31.906 31.700 -0.111 0.000 0.776 240 K N 3.912 124.249 120.400 -0.105 0.000 2.276 240 K HA 0.299 4.618 4.320 -0.002 0.000 0.285 240 K C 0.083 176.672 176.600 -0.019 0.000 1.062 240 K CA 0.005 56.259 56.287 -0.056 0.000 0.918 240 K CB -0.000 32.449 32.500 -0.084 0.000 1.055 240 K HN 0.414 nan 8.250 nan 0.000 0.477 241 I N 4.720 125.318 120.570 0.047 0.000 2.269 241 I HA 0.048 4.217 4.170 -0.002 0.000 0.293 241 I C 0.402 176.638 176.117 0.199 0.000 1.106 241 I CA -0.360 61.017 61.300 0.128 0.000 1.248 241 I CB 0.339 38.416 38.000 0.129 0.000 1.444 241 I HN 0.379 nan 8.210 nan 0.000 0.497 242 Q N 6.053 125.983 119.800 0.217 0.000 2.354 242 Q HA 0.331 4.670 4.340 -0.002 0.000 0.244 242 Q C -0.290 175.861 176.000 0.252 0.000 0.969 242 Q CA -0.587 55.348 55.803 0.221 0.000 0.885 242 Q CB 1.118 30.001 28.738 0.242 0.000 1.241 242 Q HN 0.543 nan 8.270 nan 0.000 0.461 243 R N 1.219 121.806 120.500 0.145 0.000 2.246 243 R HA 0.510 4.849 4.340 -0.002 0.000 0.332 243 R C -0.622 175.652 176.300 -0.043 0.000 0.974 243 R CA -0.158 55.914 56.100 -0.047 0.000 0.837 243 R CB 0.717 30.961 30.300 -0.094 0.000 1.145 243 R HN 0.416 nan 8.270 nan 0.000 0.467 244 M N 2.766 122.318 119.600 -0.079 0.000 2.364 244 M HA 0.428 4.907 4.480 -0.002 0.000 0.334 244 M C 0.864 177.112 176.300 -0.086 0.000 1.107 244 M CA -0.143 55.141 55.300 -0.026 0.000 0.988 244 M CB 2.198 34.815 32.600 0.027 0.000 1.673 244 M HN 0.932 nan 8.290 nan 0.000 0.441 245 G N 2.832 111.603 108.800 -0.049 0.000 2.692 245 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.339 245 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.339 245 G C -0.075 174.761 174.900 -0.107 0.000 1.226 245 G CA 1.248 46.314 45.100 -0.056 0.000 0.979 245 G HN 0.820 nan 8.290 nan 0.000 0.549 246 D N 0.765 121.095 120.400 -0.117 0.000 2.571 246 D HA 0.386 5.025 4.640 -0.002 0.000 0.239 246 D C 0.987 177.165 176.300 -0.202 0.000 1.267 246 D CA 0.231 54.143 54.000 -0.147 0.000 0.823 246 D CB 0.338 41.093 40.800 -0.074 0.000 1.056 246 D HN 0.775 nan 8.370 nan 0.000 0.494 247 R N -1.108 119.234 120.500 -0.263 0.000 2.922 247 R HA 0.703 5.042 4.340 -0.002 0.000 0.256 247 R C -1.334 174.716 176.300 -0.416 0.000 1.138 247 R CA -0.774 55.193 56.100 -0.222 0.000 0.995 247 R CB 0.887 31.156 30.300 -0.051 0.000 1.226 247 R HN -0.201 nan 8.270 nan 0.000 0.481 248 F N -0.665 119.306 119.950 0.035 0.000 2.556 248 F HA 0.804 5.330 4.527 -0.002 0.000 0.327 248 F C -0.241 175.616 175.800 0.095 0.000 1.059 248 F CA -0.849 57.195 58.000 0.073 0.000 0.953 248 F CB 2.521 41.566 39.000 0.074 0.000 1.227 248 F HN 0.798 nan 8.300 nan 0.000 0.478 249 A N 1.094 124.128 122.820 0.356 0.000 2.398 249 A HA 0.744 5.062 4.320 -0.002 0.000 0.301 249 A C -1.639 176.215 177.584 0.449 0.000 1.041 249 A CA -0.692 51.559 52.037 0.356 0.000 0.711 249 A CB 1.097 20.290 19.000 0.321 0.000 1.240 249 A HN 0.497 nan 8.150 nan 0.000 0.420 250 V N 2.632 122.798 119.914 0.419 0.000 2.439 250 V HA 0.381 4.500 4.120 -0.002 0.000 0.282 250 V C 0.234 176.480 176.094 0.253 0.000 1.039 250 V CA -0.344 62.051 62.300 0.159 0.000 0.913 250 V CB 1.247 32.886 31.823 -0.307 0.000 0.983 250 V HN 0.948 nan 8.190 nan 0.000 0.460 251 E N 2.586 122.747 120.200 -0.065 0.000 2.249 251 E HA 0.704 5.053 4.350 -0.002 0.000 0.263 251 E C -1.416 175.001 176.600 -0.304 0.000 0.950 251 E CA -0.783 55.463 56.400 -0.257 0.000 0.827 251 E CB 2.679 32.083 29.700 -0.493 0.000 1.220 251 E HN 0.380 nan 8.360 nan 0.000 0.411 252 V N 3.066 122.810 119.914 -0.283 0.000 2.658 252 V HA 0.055 4.174 4.120 -0.002 0.000 0.259 252 V C -0.600 175.303 176.094 -0.317 0.000 0.933 252 V CA -0.878 61.266 62.300 -0.260 0.000 0.871 252 V CB 0.893 32.614 31.823 -0.170 0.000 1.062 252 V HN 0.516 nan 8.190 nan 0.000 0.479 253 K N 2.146 122.326 120.400 -0.367 0.000 2.579 253 K HA 0.020 4.339 4.320 -0.002 0.000 0.277 253 K C 1.519 177.692 176.600 -0.712 0.000 0.985 253 K CA 1.251 57.207 56.287 -0.552 0.000 1.088 253 K CB -0.065 32.203 32.500 -0.387 0.000 0.836 253 K HN 1.168 nan 8.250 nan 0.000 0.487 254 G N 2.277 110.359 108.800 -1.198 0.000 2.304 254 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.252 254 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.252 254 G C 0.331 175.039 174.900 -0.321 0.000 1.014 254 G CA 0.604 45.251 45.100 -0.755 0.000 0.619 254 G HN 0.573 nan 8.290 nan 0.000 0.525 255 R N -0.743 119.579 120.500 -0.298 0.000 3.006 255 R HA 0.820 5.159 4.340 -0.002 0.000 0.235 255 R C -0.424 175.870 176.300 -0.010 0.000 1.362 255 R CA -0.931 55.104 56.100 -0.109 0.000 1.067 255 R CB 1.045 31.285 30.300 -0.099 0.000 1.396 255 R HN 0.182 nan 8.270 nan 0.000 0.504 256 I N 1.239 121.880 120.570 0.118 0.000 2.466 256 I HA 0.161 4.330 4.170 -0.002 0.000 0.279 256 I C -0.372 175.984 176.117 0.399 0.000 1.033 256 I CA -0.387 61.057 61.300 0.240 0.000 1.123 256 I CB 1.370 39.495 38.000 0.208 0.000 1.237 256 I HN 0.480 nan 8.210 nan 0.000 0.460 257 H N 7.001 126.319 119.070 0.414 0.000 2.944 257 H HA 0.140 4.695 4.556 -0.001 0.000 0.278 257 H C -1.442 174.164 175.328 0.462 0.000 1.083 257 H CA -0.365 55.950 56.048 0.444 0.000 1.479 257 H CB 0.661 30.663 29.762 0.399 0.000 1.486 257 H HN 0.450 nan 8.280 nan 0.000 0.493 258 F N 6.504 126.516 119.950 0.104 0.000 2.308 258 F HA 0.147 4.672 4.527 -0.002 0.000 0.370 258 F C -0.622 175.079 175.800 -0.164 0.000 1.100 258 F CA -1.091 56.869 58.000 -0.068 0.000 1.108 258 F CB 0.520 39.553 39.000 0.055 0.000 1.293 258 F HN 0.543 nan 8.300 nan 0.000 0.478 259 D N 5.909 125.897 120.400 -0.687 0.000 2.359 259 D HA 0.161 4.800 4.640 -0.002 0.000 0.230 259 D C 0.931 176.859 176.300 -0.621 0.000 1.118 259 D CA -0.162 53.529 54.000 -0.514 0.000 0.844 259 D CB 1.042 41.587 40.800 -0.425 0.000 1.059 259 D HN 0.610 nan 8.370 nan 0.000 0.493 260 L N 3.912 124.832 121.223 -0.506 0.000 2.083 260 L HA -0.165 4.174 4.340 -0.002 0.000 0.209 260 L C 1.978 178.673 176.870 -0.291 0.000 1.083 260 L CA 0.957 55.531 54.840 -0.444 0.000 0.752 260 L CB -0.648 41.369 42.059 -0.070 0.000 0.899 260 L HN 0.538 nan 8.230 nan 0.000 0.433 261 Y N 1.563 121.607 120.300 -0.426 0.000 2.030 261 Y HA -0.279 4.271 4.550 -0.001 0.000 0.272 261 Y C -0.274 175.434 175.900 -0.320 0.000 1.185 261 Y CA 2.543 60.360 58.100 -0.472 0.000 1.120 261 Y CB -1.472 36.607 38.460 -0.634 0.000 0.955 261 Y HN 0.150 nan 8.280 nan 0.000 0.495 262 P HA -0.183 nan 4.420 nan 0.000 0.215 262 P C 1.787 178.923 177.300 -0.273 0.000 1.153 262 P CA 2.281 65.257 63.100 -0.207 0.000 0.853 262 P CB -0.171 31.421 31.700 -0.181 0.000 0.788 263 V N 0.824 120.558 119.914 -0.299 0.000 2.270 263 V HA -0.199 3.920 4.120 -0.002 0.000 0.245 263 V C 2.784 178.705 176.094 -0.290 0.000 1.043 263 V CA 1.498 63.643 62.300 -0.259 0.000 1.014 263 V CB -1.120 30.539 31.823 -0.274 0.000 0.645 263 V HN -0.036 nan 8.190 nan 0.000 0.447 264 I N 0.413 120.760 120.570 -0.372 0.000 2.264 264 I HA -0.223 3.946 4.170 -0.002 0.000 0.248 264 I C 2.598 178.635 176.117 -0.132 0.000 1.111 264 I CA 1.706 62.804 61.300 -0.336 0.000 1.382 264 I CB -1.209 36.668 38.000 -0.204 0.000 1.060 264 I HN 0.325 nan 8.210 nan 0.000 0.418 265 R N 1.431 121.773 120.500 -0.264 0.000 2.148 265 R HA -0.078 4.261 4.340 -0.002 0.000 0.227 265 R C 2.099 178.297 176.300 -0.170 0.000 1.103 265 R CA 1.253 57.150 56.100 -0.339 0.000 0.983 265 R CB -0.224 29.637 30.300 -0.733 0.000 0.874 265 R HN 0.268 nan 8.270 nan 0.000 0.451 266 R N -1.392 119.018 120.500 -0.151 0.000 2.317 266 R HA 0.133 4.472 4.340 -0.002 0.000 0.208 266 R C 0.555 176.837 176.300 -0.030 0.000 0.914 266 R CA 1.164 57.212 56.100 -0.087 0.000 1.060 266 R CB 0.605 30.850 30.300 -0.092 0.000 1.015 266 R HN 0.223 nan 8.270 nan 0.000 0.498 267 T N -0.667 113.876 114.554 -0.017 0.000 2.955 267 T HA 0.326 4.675 4.350 -0.002 0.000 0.251 267 T C 0.685 175.419 174.700 0.056 0.000 1.002 267 T CA 0.235 62.358 62.100 0.039 0.000 0.970 267 T CB 0.597 69.521 68.868 0.094 0.000 1.091 267 T HN -0.047 nan 8.240 nan 0.000 0.495 268 I N 0.980 121.582 120.570 0.053 0.000 2.934 268 I HA 0.449 4.618 4.170 -0.002 0.000 0.306 268 I C -0.953 175.217 176.117 0.089 0.000 1.110 268 I CA -1.176 60.146 61.300 0.037 0.000 1.019 268 I CB 2.139 40.120 38.000 -0.033 0.000 1.227 268 I HN -0.090 nan 8.210 nan 0.000 0.434 269 N N 4.943 123.663 118.700 0.034 0.000 2.518 269 N HA 0.603 5.342 4.740 -0.002 0.000 0.254 269 N C -1.683 173.801 175.510 -0.044 0.000 0.979 269 N CA -0.216 52.879 53.050 0.076 0.000 0.930 269 N CB 1.090 39.612 38.487 0.058 0.000 1.152 269 N HN 0.494 nan 8.380 nan 0.000 0.505 270 L N 3.403 124.532 121.223 -0.156 0.000 2.350 270 L HA 0.584 4.923 4.340 -0.002 0.000 0.260 270 L C -1.201 175.614 176.870 -0.092 0.000 1.015 270 L CA -1.563 53.112 54.840 -0.276 0.000 0.821 270 L CB 2.295 43.987 42.059 -0.612 0.000 1.370 270 L HN 0.262 nan 8.230 nan 0.000 0.416 271 P HA -0.034 nan 4.420 nan 0.000 0.217 271 P C 0.212 177.577 177.300 0.109 0.000 1.151 271 P CA 1.073 64.202 63.100 0.049 0.000 0.828 271 P CB 0.313 32.026 31.700 0.023 0.000 0.788 272 T N -0.586 113.997 114.554 0.048 0.000 2.893 272 T HA 0.369 4.718 4.350 -0.002 0.000 0.293 272 T C -1.043 173.707 174.700 0.083 0.000 1.027 272 T CA -0.200 61.989 62.100 0.147 0.000 0.988 272 T CB 1.263 70.192 68.868 0.102 0.000 1.043 272 T HN -0.176 nan 8.240 nan 0.000 0.461 273 Y N 2.202 122.552 120.300 0.083 0.000 2.813 273 Y HA 0.285 4.834 4.550 -0.002 0.000 0.378 273 Y C 1.520 177.564 175.900 0.241 0.000 1.023 273 Y CA -0.965 57.202 58.100 0.112 0.000 1.567 273 Y CB -0.381 38.093 38.460 0.024 0.000 1.492 273 Y HN 0.636 nan 8.280 nan 0.000 0.533 274 T N -3.348 111.346 114.554 0.232 0.000 2.882 274 T HA 0.206 4.555 4.350 -0.002 0.000 0.287 274 T C 1.432 176.168 174.700 0.060 0.000 1.014 274 T CA -0.702 61.517 62.100 0.197 0.000 1.049 274 T CB 1.252 70.174 68.868 0.089 0.000 1.001 274 T HN 0.425 nan 8.240 nan 0.000 0.525 275 L N 0.438 121.619 121.223 -0.069 0.000 2.042 275 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 275 L C 2.737 179.538 176.870 -0.116 0.000 1.076 275 L CA 1.787 56.414 54.840 -0.355 0.000 0.749 275 L CB -0.509 41.332 42.059 -0.363 0.000 0.893 275 L HN 0.765 nan 8.230 nan 0.000 0.432 276 E N -0.064 120.116 120.200 -0.033 0.000 2.085 276 E HA -0.200 4.148 4.350 -0.002 0.000 0.194 276 E C 2.102 178.738 176.600 0.060 0.000 0.994 276 E CA 1.410 57.831 56.400 0.035 0.000 0.801 276 E CB -0.386 29.331 29.700 0.030 0.000 0.743 276 E HN 0.517 nan 8.360 nan 0.000 0.453 277 A N 0.559 123.389 122.820 0.017 0.000 1.841 277 A HA -0.194 4.125 4.320 -0.002 0.000 0.216 277 A C 2.528 180.091 177.584 -0.034 0.000 1.199 277 A CA 1.788 53.818 52.037 -0.013 0.000 0.621 277 A CB -1.098 17.875 19.000 -0.045 0.000 0.835 277 A HN 0.129 nan 8.150 nan 0.000 0.445 278 V N -1.098 118.777 119.914 -0.065 0.000 2.250 278 V HA -0.358 3.761 4.120 -0.002 0.000 0.253 278 V C 2.335 178.423 176.094 -0.011 0.000 1.065 278 V CA 2.618 64.869 62.300 -0.083 0.000 1.039 278 V CB -1.142 30.615 31.823 -0.110 0.000 0.647 278 V HN 0.681 nan 8.190 nan 0.000 0.446 279 Y N 0.949 121.220 120.300 -0.048 0.000 2.014 279 Y HA -0.356 4.193 4.550 -0.002 0.000 0.272 279 Y C 2.724 178.689 175.900 0.109 0.000 1.164 279 Y CA 2.526 60.681 58.100 0.092 0.000 1.114 279 Y CB -0.622 37.892 38.460 0.090 0.000 0.961 279 Y HN 0.397 nan 8.280 nan 0.000 0.489 280 E N -0.220 120.010 120.200 0.049 0.000 2.070 280 E HA -0.284 4.065 4.350 -0.002 0.000 0.197 280 E C 2.277 178.808 176.600 -0.115 0.000 1.004 280 E CA 1.439 57.812 56.400 -0.046 0.000 0.805 280 E CB -0.482 29.243 29.700 0.043 0.000 0.744 280 E HN 0.569 nan 8.360 nan 0.000 0.451 281 A N 0.188 122.946 122.820 -0.103 0.000 1.917 281 A HA -0.191 4.128 4.320 -0.002 0.000 0.219 281 A C 2.341 179.811 177.584 -0.189 0.000 1.182 281 A CA 1.869 53.830 52.037 -0.128 0.000 0.633 281 A CB -0.508 18.414 19.000 -0.130 0.000 0.819 281 A HN 0.261 nan 8.150 nan 0.000 0.448 282 V N -2.614 117.118 119.914 -0.304 0.000 2.878 282 V HA 0.028 4.147 4.120 -0.002 0.000 0.250 282 V C 1.551 177.171 176.094 -0.790 0.000 1.075 282 V CA 1.292 63.264 62.300 -0.547 0.000 1.096 282 V CB -0.561 30.847 31.823 -0.690 0.000 0.724 282 V HN 0.590 nan 8.190 nan 0.000 0.467 283 F N -0.360 119.418 119.950 -0.287 0.000 2.767 283 F HA 0.501 5.027 4.527 -0.002 0.000 0.323 283 F C 1.818 177.475 175.800 -0.238 0.000 1.091 283 F CA 0.564 58.381 58.000 -0.304 0.000 1.192 283 F CB 0.572 39.270 39.000 -0.503 0.000 1.056 283 F HN 0.174 nan 8.300 nan 0.000 0.571 284 G N 0.680 109.428 108.800 -0.087 0.000 2.155 284 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.257 284 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.257 284 G C 0.172 175.061 174.900 -0.019 0.000 0.983 284 G CA -0.057 45.015 45.100 -0.046 0.000 0.676 284 G HN 0.250 nan 8.290 nan 0.000 0.528 285 Q N -0.398 119.378 119.800 -0.040 0.000 2.204 285 Q HA 0.415 4.754 4.340 -0.002 0.000 0.254 285 Q C -1.041 175.052 176.000 0.154 0.000 0.981 285 Q CA -1.368 54.477 55.803 0.070 0.000 0.897 285 Q CB 1.859 30.691 28.738 0.158 0.000 1.273 285 Q HN 0.265 nan 8.270 nan 0.000 0.464 286 P HA -0.208 nan 4.420 nan 0.000 0.205 286 P C -0.410 177.008 177.300 0.196 0.000 1.193 286 P CA 0.788 63.974 63.100 0.143 0.000 0.929 286 P CB 0.290 32.048 31.700 0.095 0.000 0.772 287 K N 0.502 121.003 120.400 0.167 0.000 6.399 287 K HA -0.090 4.229 4.320 -0.002 0.000 0.786 287 K C -1.045 175.590 176.600 0.058 0.000 1.948 287 K CA 0.518 56.849 56.287 0.074 0.000 1.668 287 K CB -1.300 31.283 32.500 0.139 0.000 2.091 287 K HN 0.215 nan 8.250 nan 0.000 0.304 288 E N 2.186 122.413 120.200 0.045 0.000 2.319 288 E HA 0.433 4.782 4.350 -0.002 0.000 0.268 288 E C -0.148 176.494 176.600 0.071 0.000 1.050 288 E CA -0.428 56.003 56.400 0.052 0.000 0.878 288 E CB 0.835 30.561 29.700 0.043 0.000 1.066 288 E HN 0.346 nan 8.360 nan 0.000 0.406 289 K N 0.995 121.386 120.400 -0.016 0.000 2.323 289 K HA 0.427 4.746 4.320 -0.002 0.000 0.259 289 K C -1.635 174.702 176.600 -0.438 0.000 0.947 289 K CA -0.639 55.541 56.287 -0.179 0.000 0.819 289 K CB 1.104 33.453 32.500 -0.252 0.000 1.109 289 K HN 0.271 nan 8.250 nan 0.000 0.429 290 V N 6.333 125.606 119.914 -1.069 0.000 2.328 290 V HA 0.302 4.421 4.120 -0.002 0.000 0.278 290 V C -0.657 175.048 176.094 -0.648 0.000 1.021 290 V CA -0.727 61.073 62.300 -0.832 0.000 0.838 290 V CB -0.038 31.153 31.823 -1.054 0.000 0.999 290 V HN 0.663 nan 8.190 nan 0.000 0.447 291 Y N 2.559 122.693 120.300 -0.278 0.000 2.379 291 Y HA 0.291 4.840 4.550 -0.002 0.000 0.337 291 Y C 1.646 177.481 175.900 -0.108 0.000 1.238 291 Y CA 0.530 58.538 58.100 -0.154 0.000 1.405 291 Y CB 0.644 39.050 38.460 -0.090 0.000 1.310 291 Y HN 0.676 nan 8.280 nan 0.000 0.569 292 A N 1.750 124.613 122.820 0.071 0.000 1.884 292 A HA -0.254 4.065 4.320 -0.002 0.000 0.219 292 A C 2.031 179.658 177.584 0.072 0.000 1.197 292 A CA 2.076 54.141 52.037 0.046 0.000 0.637 292 A CB -0.528 18.482 19.000 0.017 0.000 0.827 292 A HN 0.853 nan 8.150 nan 0.000 0.450 293 E N -0.320 119.939 120.200 0.100 0.000 2.130 293 E HA -0.254 4.095 4.350 -0.002 0.000 0.196 293 E C 1.848 178.486 176.600 0.063 0.000 0.998 293 E CA 1.513 57.963 56.400 0.082 0.000 0.806 293 E CB -0.452 29.291 29.700 0.072 0.000 0.738 293 E HN 0.881 nan 8.360 nan 0.000 0.459 294 E N 0.432 120.669 120.200 0.062 0.000 2.076 294 E HA -0.081 4.268 4.350 -0.002 0.000 0.190 294 E C 2.281 178.910 176.600 0.048 0.000 0.979 294 E CA 0.371 56.798 56.400 0.046 0.000 0.807 294 E CB 0.015 29.735 29.700 0.034 0.000 0.761 294 E HN 0.200 nan 8.360 nan 0.000 0.454 295 I N 0.828 121.423 120.570 0.041 0.000 2.208 295 I HA -0.277 3.892 4.170 -0.002 0.000 0.245 295 I C 2.397 178.572 176.117 0.097 0.000 1.097 295 I CA 1.336 62.673 61.300 0.062 0.000 1.363 295 I CB -0.590 37.435 38.000 0.042 0.000 1.051 295 I HN 0.141 nan 8.210 nan 0.000 0.413 296 T N 0.263 114.853 114.554 0.060 0.000 2.588 296 T HA -0.216 4.133 4.350 -0.002 0.000 0.261 296 T C 2.049 176.843 174.700 0.157 0.000 1.069 296 T CA 2.471 64.613 62.100 0.071 0.000 1.172 296 T CB -0.881 67.965 68.868 -0.038 0.000 0.863 296 T HN 0.571 nan 8.240 nan 0.000 0.408 297 T N 1.403 116.025 114.554 0.112 0.000 2.737 297 T HA -0.093 4.256 4.350 -0.002 0.000 0.269 297 T C 2.167 176.924 174.700 0.094 0.000 1.040 297 T CA 1.360 63.521 62.100 0.103 0.000 1.142 297 T CB -0.681 68.230 68.868 0.071 0.000 0.861 297 T HN 0.375 nan 8.240 nan 0.000 0.456 298 A N 0.230 123.110 122.820 0.100 0.000 2.015 298 A HA 0.085 4.404 4.320 -0.002 0.000 0.219 298 A C 2.116 179.760 177.584 0.100 0.000 1.163 298 A CA 1.078 53.163 52.037 0.081 0.000 0.646 298 A CB -1.110 17.937 19.000 0.079 0.000 0.806 298 A HN 0.818 nan 8.150 nan 0.000 0.448 299 W N 0.788 122.064 121.300 -0.041 0.000 2.525 299 W HA -0.017 4.641 4.660 -0.002 0.000 0.288 299 W C 1.531 178.009 176.519 -0.068 0.000 1.200 299 W CA 1.372 58.669 57.345 -0.079 0.000 1.349 299 W CB -0.187 29.214 29.460 -0.097 0.000 1.102 299 W HN 0.510 nan 8.180 nan 0.000 0.558 300 E N -0.007 120.286 120.200 0.155 0.000 2.047 300 E HA -0.216 4.133 4.350 -0.002 0.000 0.191 300 E C 2.141 178.711 176.600 -0.049 0.000 0.987 300 E CA 2.525 58.967 56.400 0.069 0.000 0.799 300 E CB -0.510 29.293 29.700 0.171 0.000 0.752 300 E HN 0.197 nan 8.360 nan 0.000 0.449 301 T N -2.651 111.889 114.554 -0.024 0.000 3.088 301 T HA 0.136 4.485 4.350 -0.002 0.000 0.259 301 T C 1.675 176.321 174.700 -0.091 0.000 1.122 301 T CA 0.556 62.630 62.100 -0.043 0.000 1.095 301 T CB 0.159 69.020 68.868 -0.012 0.000 0.930 301 T HN 0.329 nan 8.240 nan 0.000 0.508 302 G N 1.212 109.925 108.800 -0.144 0.000 2.175 302 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.265 302 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.265 302 G C -0.048 174.788 174.900 -0.108 0.000 0.979 302 G CA 0.396 45.382 45.100 -0.190 0.000 0.663 302 G HN 0.777 nan 8.290 nan 0.000 0.533 303 E N 0.705 120.868 120.200 -0.062 0.000 2.081 303 E HA 0.386 4.734 4.350 -0.002 0.000 0.270 303 E C 0.858 177.445 176.600 -0.022 0.000 1.180 303 E CA 0.251 56.629 56.400 -0.036 0.000 0.926 303 E CB -0.331 29.359 29.700 -0.017 0.000 1.035 303 E HN 0.513 nan 8.360 nan 0.000 0.418 304 N N 3.807 122.490 118.700 -0.027 0.000 2.681 304 N HA -0.214 4.525 4.740 -0.002 0.000 0.259 304 N C -0.592 174.918 175.510 0.000 0.000 1.066 304 N CA 0.613 53.656 53.050 -0.013 0.000 0.717 304 N CB -1.201 37.285 38.487 -0.001 0.000 0.885 304 N HN 0.661 nan 8.380 nan 0.000 0.547 305 L N 0.458 121.673 121.223 -0.013 0.000 2.622 305 L HA 0.011 4.350 4.340 -0.002 0.000 0.233 305 L C 1.850 178.739 176.870 0.033 0.000 1.156 305 L CA 0.234 55.084 54.840 0.017 0.000 0.866 305 L CB -0.177 41.871 42.059 -0.018 0.000 0.980 305 L HN 0.326 nan 8.230 nan 0.000 0.448 306 E N 0.601 120.809 120.200 0.015 0.000 2.160 306 E HA -0.207 4.142 4.350 -0.002 0.000 0.195 306 E C 2.149 178.788 176.600 0.064 0.000 0.991 306 E CA 1.116 57.529 56.400 0.021 0.000 0.810 306 E CB -0.032 29.671 29.700 0.005 0.000 0.742 306 E HN 0.524 nan 8.360 nan 0.000 0.466 307 R N 0.142 120.681 120.500 0.064 0.000 2.075 307 R HA 0.002 4.341 4.340 -0.002 0.000 0.226 307 R C 2.478 178.856 176.300 0.130 0.000 1.114 307 R CA 0.613 56.763 56.100 0.083 0.000 0.972 307 R CB -0.061 30.267 30.300 0.046 0.000 0.869 307 R HN -0.027 nan 8.270 nan 0.000 0.437 308 V N 0.844 120.834 119.914 0.126 0.000 2.594 308 V HA -0.208 3.911 4.120 -0.002 0.000 0.253 308 V C 2.182 178.393 176.094 0.195 0.000 1.069 308 V CA 1.926 64.334 62.300 0.179 0.000 1.082 308 V CB -0.441 31.480 31.823 0.162 0.000 0.680 308 V HN 0.398 nan 8.190 nan 0.000 0.469 309 A N 0.065 122.984 122.820 0.165 0.000 1.903 309 A HA -0.105 4.214 4.320 -0.002 0.000 0.213 309 A C 2.384 180.099 177.584 0.220 0.000 1.185 309 A CA 1.314 53.460 52.037 0.182 0.000 0.628 309 A CB -0.440 18.659 19.000 0.165 0.000 0.830 309 A HN 0.442 nan 8.150 nan 0.000 0.446 310 R N -1.659 118.977 120.500 0.226 0.000 2.083 310 R HA -0.225 4.114 4.340 -0.002 0.000 0.237 310 R C 2.070 178.434 176.300 0.107 0.000 1.137 310 R CA 2.178 58.392 56.100 0.189 0.000 0.951 310 R CB -0.616 29.784 30.300 0.167 0.000 0.851 310 R HN 0.559 nan 8.270 nan 0.000 0.434 311 Y N 0.757 121.060 120.300 0.006 0.000 2.070 311 Y HA -0.238 4.311 4.550 -0.002 0.000 0.280 311 Y C 2.630 178.499 175.900 -0.051 0.000 1.148 311 Y CA 2.052 60.132 58.100 -0.033 0.000 1.125 311 Y CB -0.918 37.528 38.460 -0.023 0.000 0.975 311 Y HN 0.115 nan 8.280 nan 0.000 0.492 312 S N -0.113 115.498 115.700 -0.148 0.000 2.382 312 S HA -0.216 4.253 4.470 -0.002 0.000 0.228 312 S C 2.195 176.670 174.600 -0.209 0.000 1.027 312 S CA 1.391 59.440 58.200 -0.251 0.000 0.991 312 S CB -0.568 62.592 63.200 -0.067 0.000 0.823 312 S HN 0.610 nan 8.310 nan 0.000 0.469 313 M N 1.223 120.736 119.600 -0.145 0.000 2.082 313 M HA -0.151 4.328 4.480 -0.002 0.000 0.258 313 M C 1.854 177.996 176.300 -0.264 0.000 1.069 313 M CA 1.917 57.074 55.300 -0.240 0.000 1.102 313 M CB -0.889 31.478 32.600 -0.389 0.000 1.336 313 M HN 0.435 nan 8.290 nan 0.000 0.404 314 E N -0.152 119.900 120.200 -0.246 0.000 2.047 314 E HA -0.216 4.133 4.350 -0.002 0.000 0.191 314 E C 1.617 178.050 176.600 -0.278 0.000 0.987 314 E CA 1.459 57.707 56.400 -0.254 0.000 0.799 314 E CB -0.201 29.370 29.700 -0.216 0.000 0.752 314 E HN 0.487 nan 8.360 nan 0.000 0.449 315 D N 0.368 120.557 120.400 -0.351 0.000 2.191 315 D HA -0.213 4.426 4.640 -0.002 0.000 0.195 315 D C 1.721 177.910 176.300 -0.185 0.000 1.003 315 D CA 1.540 55.339 54.000 -0.335 0.000 0.867 315 D CB -0.128 40.392 40.800 -0.466 0.000 0.926 315 D HN 0.225 nan 8.370 nan 0.000 0.450 316 A N 0.309 123.040 122.820 -0.147 0.000 1.855 316 A HA -0.122 4.197 4.320 -0.002 0.000 0.213 316 A C 2.060 179.640 177.584 -0.006 0.000 1.195 316 A CA 1.001 53.014 52.037 -0.041 0.000 0.610 316 A CB -0.199 18.776 19.000 -0.040 0.000 0.837 316 A HN -0.027 nan 8.150 nan 0.000 0.444 317 K N -0.007 120.341 120.400 -0.086 0.000 2.074 317 K HA -0.130 4.189 4.320 -0.002 0.000 0.209 317 K C 2.041 178.640 176.600 -0.001 0.000 1.048 317 K CA 1.516 57.769 56.287 -0.058 0.000 0.926 317 K CB -0.824 31.587 32.500 -0.148 0.000 0.713 317 K HN 0.335 nan 8.250 nan 0.000 0.444 318 V N 1.052 120.902 119.914 -0.107 0.000 2.237 318 V HA -0.244 3.875 4.120 -0.002 0.000 0.245 318 V C 2.321 178.467 176.094 0.087 0.000 1.046 318 V CA 2.274 64.517 62.300 -0.096 0.000 1.007 318 V CB -0.825 30.831 31.823 -0.279 0.000 0.638 318 V HN 0.374 nan 8.190 nan 0.000 0.445 319 T N -1.018 113.570 114.554 0.058 0.000 2.737 319 T HA -0.288 4.061 4.350 -0.002 0.000 0.269 319 T C 1.696 176.531 174.700 0.225 0.000 1.040 319 T CA 2.447 64.627 62.100 0.134 0.000 1.142 319 T CB -0.391 68.545 68.868 0.115 0.000 0.861 319 T HN 0.615 nan 8.240 nan 0.000 0.456 320 Y N 1.343 121.715 120.300 0.119 0.000 2.206 320 Y HA -0.014 4.535 4.550 -0.002 0.000 0.292 320 Y C 2.417 178.413 175.900 0.160 0.000 1.123 320 Y CA 1.251 59.438 58.100 0.145 0.000 1.142 320 Y CB -0.086 38.435 38.460 0.102 0.000 1.006 320 Y HN 0.223 nan 8.280 nan 0.000 0.518 321 E N 0.335 120.683 120.200 0.246 0.000 2.023 321 E HA -0.256 4.093 4.350 -0.002 0.000 0.196 321 E C 2.206 178.969 176.600 0.272 0.000 1.003 321 E CA 1.776 58.271 56.400 0.159 0.000 0.809 321 E CB -0.418 29.311 29.700 0.047 0.000 0.755 321 E HN 0.458 nan 8.360 nan 0.000 0.449 322 L N 0.302 121.784 121.223 0.431 0.000 1.978 322 L HA -0.224 4.115 4.340 -0.002 0.000 0.218 322 L C 2.619 179.770 176.870 0.467 0.000 1.075 322 L CA 1.585 56.756 54.840 0.552 0.000 0.767 322 L CB -0.885 41.426 42.059 0.420 0.000 0.890 322 L HN 0.307 nan 8.230 nan 0.000 0.434 323 G N -0.659 108.334 108.800 0.321 0.000 2.507 323 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.221 323 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.221 323 G C 1.679 176.671 174.900 0.153 0.000 1.119 323 G CA 1.174 46.481 45.100 0.344 0.000 0.751 323 G HN 0.311 nan 8.290 nan 0.000 0.574 324 K N -0.104 120.267 120.400 -0.048 0.000 2.365 324 K HA 0.077 4.396 4.320 -0.002 0.000 0.197 324 K C 2.186 178.760 176.600 -0.044 0.000 1.042 324 K CA 0.440 56.644 56.287 -0.138 0.000 0.987 324 K CB 0.049 32.386 32.500 -0.273 0.000 0.779 324 K HN 0.164 nan 8.250 nan 0.000 0.484 325 E N -0.662 119.567 120.200 0.047 0.000 2.230 325 E HA -0.056 4.293 4.350 -0.002 0.000 0.192 325 E C 0.862 177.248 176.600 -0.358 0.000 0.987 325 E CA 0.826 57.158 56.400 -0.113 0.000 0.841 325 E CB 0.251 29.884 29.700 -0.110 0.000 0.783 325 E HN 0.288 nan 8.360 nan 0.000 0.481 326 F N -0.577 119.402 119.950 0.049 0.000 2.694 326 F HA 0.118 4.644 4.527 -0.002 0.000 0.292 326 F C 2.023 177.805 175.800 -0.030 0.000 1.121 326 F CA -0.156 57.882 58.000 0.063 0.000 1.352 326 F CB 0.011 39.133 39.000 0.203 0.000 1.107 326 F HN -0.058 nan 8.300 nan 0.000 0.597 327 L N 0.830 122.015 121.223 -0.064 0.000 2.131 327 L HA -0.047 4.292 4.340 -0.002 0.000 0.210 327 L C -0.892 175.754 176.870 -0.373 0.000 1.092 327 L CA 1.448 55.992 54.840 -0.494 0.000 0.759 327 L CB -1.059 40.591 42.059 -0.682 0.000 0.903 327 L HN -0.054 nan 8.230 nan 0.000 0.435 328 P HA -0.239 nan 4.420 nan 0.000 0.208 328 P C 1.705 178.641 177.300 -0.608 0.000 1.195 328 P CA 1.383 64.130 63.100 -0.589 0.000 0.927 328 P CB -0.097 31.008 31.700 -0.992 0.000 0.778 329 M N -0.111 119.000 119.600 -0.815 0.000 2.124 329 M HA -0.264 4.215 4.480 -0.002 0.000 0.253 329 M C 1.781 178.000 176.300 -0.134 0.000 1.077 329 M CA 1.915 57.007 55.300 -0.347 0.000 1.085 329 M CB -1.187 31.340 32.600 -0.121 0.000 1.320 329 M HN -0.166 nan 8.290 nan 0.000 0.404 330 E N -0.070 120.073 120.200 -0.095 0.000 2.058 330 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 330 E C 2.130 178.700 176.600 -0.051 0.000 0.997 330 E CA 1.708 58.097 56.400 -0.018 0.000 0.801 330 E CB -0.895 28.837 29.700 0.052 0.000 0.746 330 E HN 0.681 nan 8.360 nan 0.000 0.450 331 A N 1.342 124.093 122.820 -0.114 0.000 1.978 331 A HA -0.215 4.104 4.320 -0.002 0.000 0.220 331 A C 2.111 179.669 177.584 -0.043 0.000 1.170 331 A CA 1.364 53.352 52.037 -0.082 0.000 0.636 331 A CB -0.280 18.654 19.000 -0.111 0.000 0.810 331 A HN 0.107 nan 8.150 nan 0.000 0.448 332 Q N -0.378 119.395 119.800 -0.045 0.000 2.083 332 Q HA 0.007 4.346 4.340 -0.002 0.000 0.198 332 Q C 2.187 178.190 176.000 0.006 0.000 0.969 332 Q CA 0.990 56.791 55.803 -0.004 0.000 0.838 332 Q CB -0.546 28.209 28.738 0.028 0.000 0.900 332 Q HN 0.708 nan 8.270 nan 0.000 0.436 333 L N 0.499 121.722 121.223 0.000 0.000 2.042 333 L HA -0.210 4.129 4.340 -0.002 0.000 0.210 333 L C 2.328 179.207 176.870 0.014 0.000 1.076 333 L CA 1.121 55.963 54.840 0.003 0.000 0.749 333 L CB -0.301 41.762 42.059 0.006 0.000 0.893 333 L HN 0.160 nan 8.230 nan 0.000 0.432 334 S N -0.680 115.027 115.700 0.011 0.000 2.356 334 S HA -0.231 4.238 4.470 -0.002 0.000 0.223 334 S C 1.988 176.597 174.600 0.015 0.000 1.032 334 S CA 1.308 59.516 58.200 0.013 0.000 1.005 334 S CB -0.323 62.883 63.200 0.010 0.000 0.867 334 S HN 0.375 nan 8.310 nan 0.000 0.449 335 R N 0.845 121.354 120.500 0.014 0.000 2.120 335 R HA 0.037 4.376 4.340 -0.002 0.000 0.234 335 R C 2.270 178.598 176.300 0.047 0.000 1.123 335 R CA 0.935 57.047 56.100 0.021 0.000 0.975 335 R CB -0.312 29.997 30.300 0.015 0.000 0.866 335 R HN 0.382 nan 8.270 nan 0.000 0.446 336 L N 0.522 121.780 121.223 0.058 0.000 2.072 336 L HA -0.093 4.246 4.340 -0.002 0.000 0.205 336 L C 1.837 178.837 176.870 0.217 0.000 1.079 336 L CA 0.871 55.774 54.840 0.106 0.000 0.752 336 L CB -0.044 42.035 42.059 0.033 0.000 0.906 336 L HN 0.243 nan 8.230 nan 0.000 0.436 337 I N 0.158 120.827 120.570 0.165 0.000 2.928 337 I HA 0.022 4.191 4.170 -0.002 0.000 0.266 337 I C 1.647 177.853 176.117 0.148 0.000 1.234 337 I CA 1.170 62.621 61.300 0.251 0.000 1.483 337 I CB -1.676 36.421 38.000 0.162 0.000 1.097 337 I HN 0.438 nan 8.210 nan 0.000 0.455 338 G N 1.516 110.351 108.800 0.060 0.000 2.182 338 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.248 338 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.248 338 G C 0.144 174.986 174.900 -0.097 0.000 1.042 338 G CA 0.025 45.117 45.100 -0.013 0.000 0.775 338 G HN 0.385 nan 8.290 nan 0.000 0.501 339 Q N -0.642 119.088 119.800 -0.116 0.000 2.495 339 Q HA 0.630 4.969 4.340 -0.002 0.000 0.287 339 Q C 0.319 176.256 176.000 -0.105 0.000 1.078 339 Q CA -0.149 55.519 55.803 -0.225 0.000 0.793 339 Q CB 1.667 30.121 28.738 -0.473 0.000 1.459 339 Q HN 0.560 nan 8.270 nan 0.000 0.422 340 S N 0.315 115.970 115.700 -0.076 0.000 2.558 340 S HA -0.048 4.421 4.470 -0.002 0.000 0.291 340 S C 1.214 175.868 174.600 0.090 0.000 1.306 340 S CA -0.254 57.971 58.200 0.042 0.000 1.056 340 S CB 0.224 63.489 63.200 0.109 0.000 0.836 340 S HN 0.570 nan 8.310 nan 0.000 0.504 341 L N 5.399 126.691 121.223 0.115 0.000 2.083 341 L HA 0.065 4.404 4.340 -0.002 0.000 0.209 341 L C 1.854 178.839 176.870 0.193 0.000 1.083 341 L CA 2.054 56.965 54.840 0.117 0.000 0.752 341 L CB -0.973 41.135 42.059 0.082 0.000 0.899 341 L HN 0.941 nan 8.230 nan 0.000 0.433 342 W N 0.674 122.013 121.300 0.067 0.000 2.363 342 W HA -0.210 4.449 4.660 -0.002 0.000 0.296 342 W C 2.152 178.708 176.519 0.062 0.000 1.212 342 W CA 1.872 59.265 57.345 0.079 0.000 1.260 342 W CB -0.016 29.485 29.460 0.068 0.000 1.131 342 W HN 0.221 nan 8.180 nan 0.000 0.530 343 D N -0.280 120.354 120.400 0.390 0.000 2.075 343 D HA -0.191 4.447 4.640 -0.002 0.000 0.196 343 D C 2.362 178.697 176.300 0.058 0.000 0.985 343 D CA 2.112 56.258 54.000 0.243 0.000 0.834 343 D CB -0.858 40.059 40.800 0.195 0.000 0.987 343 D HN 0.041 nan 8.370 nan 0.000 0.452 344 V N 1.830 121.781 119.914 0.062 0.000 2.250 344 V HA -0.308 3.811 4.120 -0.002 0.000 0.250 344 V C 2.589 178.694 176.094 0.018 0.000 1.060 344 V CA 2.404 64.734 62.300 0.050 0.000 1.030 344 V CB -0.888 30.962 31.823 0.045 0.000 0.643 344 V HN 0.291 nan 8.190 nan 0.000 0.445 345 S N -0.193 115.511 115.700 0.006 0.000 2.500 345 S HA -0.161 4.308 4.470 -0.002 0.000 0.239 345 S C 1.765 176.273 174.600 -0.154 0.000 0.989 345 S CA 1.347 59.536 58.200 -0.019 0.000 0.951 345 S CB -0.375 62.866 63.200 0.068 0.000 0.759 345 S HN 0.683 nan 8.310 nan 0.000 0.523 346 R N 0.350 120.734 120.500 -0.193 0.000 2.404 346 R HA 0.351 4.690 4.340 -0.002 0.000 0.237 346 R C -0.020 176.224 176.300 -0.092 0.000 0.907 346 R CA -0.003 55.962 56.100 -0.224 0.000 1.063 346 R CB 0.620 30.671 30.300 -0.415 0.000 1.134 346 R HN 0.254 nan 8.270 nan 0.000 0.529 347 S N 0.489 116.178 115.700 -0.019 0.000 2.672 347 S HA 0.294 4.763 4.470 -0.002 0.000 0.276 347 S C 0.187 174.790 174.600 0.005 0.000 1.207 347 S CA -0.777 57.452 58.200 0.047 0.000 1.002 347 S CB 1.700 64.991 63.200 0.152 0.000 0.998 347 S HN 0.247 nan 8.310 nan 0.000 0.542 348 S N -0.180 115.518 115.700 -0.003 0.000 2.690 348 S HA 0.333 4.802 4.470 -0.002 0.000 0.291 348 S C 1.514 176.062 174.600 -0.087 0.000 1.138 348 S CA -0.087 58.078 58.200 -0.060 0.000 1.013 348 S CB 0.920 64.065 63.200 -0.093 0.000 1.053 348 S HN 0.841 nan 8.310 nan 0.000 0.539 349 T N 0.097 114.585 114.554 -0.109 0.000 2.653 349 T HA -0.148 4.201 4.350 -0.002 0.000 0.268 349 T C 1.961 176.555 174.700 -0.176 0.000 1.035 349 T CA 2.177 64.203 62.100 -0.124 0.000 1.154 349 T CB -1.690 67.109 68.868 -0.114 0.000 0.862 349 T HN 0.932 nan 8.240 nan 0.000 0.441 350 G N 1.781 110.410 108.800 -0.285 0.000 2.514 350 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.217 350 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.217 350 G C 1.781 176.593 174.900 -0.147 0.000 1.198 350 G CA 0.940 45.801 45.100 -0.398 0.000 0.780 350 G HN 0.565 nan 8.290 nan 0.000 0.565 351 N N 0.370 119.018 118.700 -0.085 0.000 2.364 351 N HA 0.003 4.742 4.740 -0.002 0.000 0.183 351 N C 2.282 177.866 175.510 0.123 0.000 1.022 351 N CA 0.454 53.544 53.050 0.066 0.000 0.883 351 N CB -0.126 38.435 38.487 0.122 0.000 0.965 351 N HN 0.331 nan 8.380 nan 0.000 0.438 352 L N 0.160 121.423 121.223 0.066 0.000 1.988 352 L HA -0.125 4.214 4.340 -0.002 0.000 0.207 352 L C 2.261 179.143 176.870 0.020 0.000 1.071 352 L CA 0.959 55.855 54.840 0.094 0.000 0.744 352 L CB -0.795 41.253 42.059 -0.019 0.000 0.893 352 L HN -0.063 nan 8.230 nan 0.000 0.433 353 V N 0.233 120.023 119.914 -0.206 0.000 2.282 353 V HA -0.324 3.794 4.120 -0.002 0.000 0.249 353 V C 2.520 178.389 176.094 -0.375 0.000 1.057 353 V CA 2.201 64.217 62.300 -0.474 0.000 1.032 353 V CB -0.611 30.707 31.823 -0.841 0.000 0.645 353 V HN 0.487 nan 8.190 nan 0.000 0.447 354 E N -0.740 119.319 120.200 -0.236 0.000 2.118 354 E HA -0.257 4.092 4.350 -0.002 0.000 0.195 354 E C 1.936 178.575 176.600 0.064 0.000 0.992 354 E CA 1.935 58.320 56.400 -0.025 0.000 0.804 354 E CB -0.346 29.439 29.700 0.141 0.000 0.741 354 E HN 0.721 nan 8.360 nan 0.000 0.458 355 W N -1.039 120.325 121.300 0.107 0.000 2.476 355 W HA -0.004 4.654 4.660 -0.002 0.000 0.281 355 W C 1.815 178.404 176.519 0.117 0.000 1.230 355 W CA 0.135 57.557 57.345 0.129 0.000 1.287 355 W CB -0.184 29.344 29.460 0.114 0.000 1.108 355 W HN 0.114 nan 8.180 nan 0.000 0.567 356 F N 0.700 120.744 119.950 0.157 0.000 2.102 356 F HA -0.194 4.332 4.527 -0.002 0.000 0.298 356 F C 1.982 177.773 175.800 -0.014 0.000 1.105 356 F CA 1.768 59.784 58.000 0.028 0.000 1.239 356 F CB -0.657 38.281 39.000 -0.104 0.000 0.991 356 F HN -0.272 nan 8.300 nan 0.000 0.474 357 L N -0.582 120.601 121.223 -0.066 0.000 2.156 357 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 357 L C 2.439 179.328 176.870 0.031 0.000 1.095 357 L CA 0.702 55.374 54.840 -0.279 0.000 0.770 357 L CB -0.730 40.898 42.059 -0.717 0.000 0.914 357 L HN 0.195 nan 8.230 nan 0.000 0.439 358 L N -0.264 121.109 121.223 0.250 0.000 2.131 358 L HA -0.207 4.132 4.340 -0.002 0.000 0.210 358 L C 2.873 179.937 176.870 0.324 0.000 1.092 358 L CA 1.172 56.264 54.840 0.420 0.000 0.759 358 L CB -0.354 41.973 42.059 0.446 0.000 0.903 358 L HN 0.294 nan 8.230 nan 0.000 0.435 359 R N 0.042 120.650 120.500 0.181 0.000 2.062 359 R HA -0.111 4.228 4.340 -0.002 0.000 0.229 359 R C 2.272 178.617 176.300 0.075 0.000 1.128 359 R CA 0.924 57.079 56.100 0.092 0.000 0.960 359 R CB 0.128 30.408 30.300 -0.032 0.000 0.855 359 R HN 0.109 nan 8.270 nan 0.000 0.432 360 K N 0.347 120.708 120.400 -0.064 0.000 2.211 360 K HA -0.024 4.295 4.320 -0.002 0.000 0.203 360 K C 1.926 178.650 176.600 0.207 0.000 1.050 360 K CA 1.082 57.362 56.287 -0.011 0.000 0.945 360 K CB -0.140 32.241 32.500 -0.198 0.000 0.732 360 K HN 0.243 nan 8.250 nan 0.000 0.451 361 A N 0.832 123.838 122.820 0.311 0.000 1.877 361 A HA -0.211 4.108 4.320 -0.002 0.000 0.216 361 A C 2.186 179.888 177.584 0.195 0.000 1.186 361 A CA 1.357 53.548 52.037 0.256 0.000 0.620 361 A CB -0.852 18.376 19.000 0.381 0.000 0.822 361 A HN 0.357 nan 8.150 nan 0.000 0.443 362 Y N 0.957 121.353 120.300 0.160 0.000 2.097 362 Y HA -0.261 4.288 4.550 -0.002 0.000 0.282 362 Y C 2.257 178.211 175.900 0.091 0.000 1.152 362 Y CA 2.450 60.640 58.100 0.150 0.000 1.136 362 Y CB -0.391 38.173 38.460 0.173 0.000 0.975 362 Y HN 0.475 nan 8.280 nan 0.000 0.498 363 E N -0.204 120.154 120.200 0.263 0.000 2.273 363 E HA -0.219 4.130 4.350 -0.002 0.000 0.198 363 E C 1.583 178.192 176.600 0.016 0.000 1.002 363 E CA 1.077 57.556 56.400 0.132 0.000 0.828 363 E CB -0.146 29.627 29.700 0.122 0.000 0.747 363 E HN 0.473 nan 8.360 nan 0.000 0.491 364 R N 0.389 120.898 120.500 0.015 0.000 2.507 364 R HA 0.089 4.428 4.340 -0.002 0.000 0.298 364 R C 0.186 176.432 176.300 -0.091 0.000 0.999 364 R CA -0.097 55.989 56.100 -0.023 0.000 1.082 364 R CB 0.012 30.324 30.300 0.020 0.000 1.246 364 R HN 0.073 nan 8.270 nan 0.000 0.553 365 N N 1.568 120.182 118.700 -0.143 0.000 2.661 365 N HA -0.210 4.529 4.740 -0.002 0.000 0.249 365 N C -0.920 174.504 175.510 -0.143 0.000 1.142 365 N CA 0.785 53.730 53.050 -0.174 0.000 0.727 365 N CB -0.312 38.083 38.487 -0.154 0.000 1.099 365 N HN 0.196 nan 8.380 nan 0.000 0.558 366 E N 0.595 120.720 120.200 -0.125 0.000 2.105 366 E HA 0.103 4.452 4.350 -0.002 0.000 0.285 366 E C -0.021 176.538 176.600 -0.069 0.000 1.055 366 E CA -0.673 55.634 56.400 -0.156 0.000 0.843 366 E CB 0.608 30.115 29.700 -0.321 0.000 1.067 366 E HN 0.339 nan 8.360 nan 0.000 0.398 367 L N 2.825 123.998 121.223 -0.084 0.000 2.485 367 L HA 0.100 4.439 4.340 -0.002 0.000 0.275 367 L C -0.270 176.608 176.870 0.015 0.000 1.207 367 L CA 0.285 55.100 54.840 -0.041 0.000 0.855 367 L CB 0.642 42.657 42.059 -0.075 0.000 1.114 367 L HN 0.479 nan 8.230 nan 0.000 0.485 368 A N 7.327 130.206 122.820 0.098 0.000 2.292 368 A HA 0.723 5.042 4.320 -0.002 0.000 0.319 368 A C -2.408 175.119 177.584 -0.095 0.000 1.206 368 A CA -1.538 50.479 52.037 -0.034 0.000 0.835 368 A CB 0.008 19.077 19.000 0.115 0.000 1.164 368 A HN 0.660 nan 8.150 nan 0.000 0.505 369 P HA 0.053 nan 4.420 nan 0.000 0.271 369 P C -0.516 176.769 177.300 -0.025 0.000 1.244 369 P CA -0.298 62.780 63.100 -0.037 0.000 0.793 369 P CB 0.625 32.155 31.700 -0.284 0.000 0.984 370 N N 0.233 119.031 118.700 0.162 0.000 2.448 370 N HA 0.215 4.953 4.740 -0.002 0.000 0.274 370 N C 0.248 175.756 175.510 -0.002 0.000 1.239 370 N CA -0.417 52.698 53.050 0.109 0.000 0.982 370 N CB 0.602 39.243 38.487 0.256 0.000 1.199 370 N HN 0.323 nan 8.380 nan 0.000 0.576 371 K N 1.003 121.387 120.400 -0.027 0.000 2.126 371 K HA 0.314 4.633 4.320 -0.002 0.000 0.257 371 K C -2.029 174.545 176.600 -0.043 0.000 1.007 371 K CA -1.232 55.019 56.287 -0.060 0.000 0.928 371 K CB 0.208 32.657 32.500 -0.085 0.000 1.013 371 K HN 0.433 nan 8.250 nan 0.000 0.473 372 P HA -0.003 nan 4.420 nan 0.000 0.271 372 P C -1.197 176.058 177.300 -0.074 0.000 1.216 372 P CA -0.319 62.723 63.100 -0.097 0.000 0.776 372 P CB 0.574 32.166 31.700 -0.179 0.000 0.881 373 D N 1.371 121.739 120.400 -0.054 0.000 2.358 373 D HA -0.009 4.630 4.640 -0.002 0.000 0.244 373 D C 1.189 177.453 176.300 -0.061 0.000 1.163 373 D CA -0.395 53.578 54.000 -0.045 0.000 0.945 373 D CB 0.459 41.236 40.800 -0.037 0.000 1.152 373 D HN 0.197 nan 8.370 nan 0.000 0.451 374 E N 0.910 121.078 120.200 -0.053 0.000 2.113 374 E HA -0.331 4.018 4.350 -0.002 0.000 0.210 374 E C 1.621 178.185 176.600 -0.059 0.000 1.040 374 E CA 1.491 57.858 56.400 -0.055 0.000 0.847 374 E CB -0.403 29.272 29.700 -0.042 0.000 0.755 374 E HN 0.652 nan 8.360 nan 0.000 0.459 375 K N 0.275 120.644 120.400 -0.051 0.000 2.020 375 K HA -0.251 4.068 4.320 -0.002 0.000 0.212 375 K C 2.212 178.774 176.600 -0.064 0.000 1.050 375 K CA 1.900 58.157 56.287 -0.049 0.000 0.929 375 K CB -0.086 32.390 32.500 -0.040 0.000 0.714 375 K HN -0.024 nan 8.250 nan 0.000 0.443 376 E N 1.054 121.208 120.200 -0.078 0.000 2.046 376 E HA -0.137 4.212 4.350 -0.002 0.000 0.190 376 E C 1.946 178.452 176.600 -0.156 0.000 0.982 376 E CA 0.928 57.262 56.400 -0.110 0.000 0.800 376 E CB -0.341 29.292 29.700 -0.112 0.000 0.756 376 E HN 0.306 nan 8.360 nan 0.000 0.449 377 L N -0.032 121.099 121.223 -0.152 0.000 2.043 377 L HA -0.207 4.132 4.340 -0.002 0.000 0.212 377 L C 2.228 179.013 176.870 -0.141 0.000 1.075 377 L CA 1.779 56.512 54.840 -0.178 0.000 0.752 377 L CB -0.528 41.444 42.059 -0.146 0.000 0.891 377 L HN 0.336 nan 8.230 nan 0.000 0.432 378 A N -0.560 122.202 122.820 -0.098 0.000 2.067 378 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 378 A C 2.359 179.907 177.584 -0.060 0.000 1.158 378 A CA 1.473 53.470 52.037 -0.068 0.000 0.661 378 A CB -0.495 18.476 19.000 -0.049 0.000 0.801 378 A HN 0.504 nan 8.150 nan 0.000 0.452 379 R N -0.358 120.096 120.500 -0.077 0.000 2.057 379 R HA 0.001 4.340 4.340 -0.002 0.000 0.224 379 R C 2.105 178.369 176.300 -0.060 0.000 1.136 379 R CA 0.922 56.987 56.100 -0.059 0.000 0.968 379 R CB -0.218 30.045 30.300 -0.062 0.000 0.863 379 R HN 0.446 nan 8.270 nan 0.000 0.433 380 R N 0.027 120.449 120.500 -0.129 0.000 2.303 380 R HA -0.088 4.251 4.340 -0.002 0.000 0.225 380 R C 2.052 178.339 176.300 -0.023 0.000 1.114 380 R CA 1.148 57.174 56.100 -0.124 0.000 1.007 380 R CB -0.118 29.919 30.300 -0.438 0.000 0.861 380 R HN 0.222 nan 8.270 nan 0.000 0.471 381 R N 0.003 120.481 120.500 -0.035 0.000 2.276 381 R HA 0.005 4.344 4.340 -0.002 0.000 0.196 381 R C 1.569 177.882 176.300 0.023 0.000 0.961 381 R CA 0.499 56.599 56.100 -0.001 0.000 1.024 381 R CB 0.224 30.512 30.300 -0.020 0.000 0.940 381 R HN 0.284 nan 8.270 nan 0.000 0.480 382 Q N 0.673 120.488 119.800 0.024 0.000 2.451 382 Q HA 0.020 4.359 4.340 -0.002 0.000 0.206 382 Q C 0.237 176.282 176.000 0.076 0.000 0.947 382 Q CA 0.208 56.036 55.803 0.042 0.000 0.937 382 Q CB 0.412 29.168 28.738 0.030 0.000 1.025 382 Q HN 0.220 nan 8.270 nan 0.000 0.511 383 S N 0.035 115.786 115.700 0.086 0.000 2.537 383 S HA -0.140 4.329 4.470 -0.002 0.000 0.280 383 S C -0.402 174.293 174.600 0.158 0.000 1.335 383 S CA -0.352 57.924 58.200 0.126 0.000 1.025 383 S CB 0.248 63.526 63.200 0.130 0.000 0.836 383 S HN 0.265 nan 8.310 nan 0.000 0.523 384 Y N 0.713 121.045 120.300 0.052 0.000 2.320 384 Y HA 0.410 4.959 4.550 -0.002 0.000 0.334 384 Y C -0.187 175.749 175.900 0.060 0.000 1.055 384 Y CA -0.830 57.300 58.100 0.049 0.000 1.143 384 Y CB 0.941 39.426 38.460 0.041 0.000 1.193 384 Y HN 0.763 nan 8.280 nan 0.000 0.477 385 E N 4.079 123.897 120.200 -0.635 0.000 2.102 385 E HA 0.503 4.852 4.350 -0.002 0.000 0.263 385 E C -0.760 175.382 176.600 -0.763 0.000 0.894 385 E CA -0.520 55.589 56.400 -0.485 0.000 0.746 385 E CB 1.190 30.763 29.700 -0.211 0.000 1.129 385 E HN 0.846 nan 8.360 nan 0.000 0.416 386 G N 2.185 110.666 108.800 -0.532 0.000 2.845 386 G HA2 0.497 4.456 3.960 -0.002 0.000 0.282 386 G HA3 0.497 4.456 3.960 -0.002 0.000 0.282 386 G C -0.287 174.635 174.900 0.036 0.000 1.546 386 G CA -0.685 44.269 45.100 -0.242 0.000 1.089 386 G HN 0.461 nan 8.290 nan 0.000 0.558 387 G N 0.753 109.592 108.800 0.065 0.000 2.377 387 G HA2 0.515 4.473 3.960 -0.002 0.000 0.299 387 G HA3 0.515 4.473 3.960 -0.002 0.000 0.299 387 G C -0.902 174.124 174.900 0.210 0.000 1.150 387 G CA -0.629 44.554 45.100 0.139 0.000 0.847 387 G HN 0.597 nan 8.290 nan 0.000 0.501 388 Y N 0.886 121.225 120.300 0.065 0.000 2.453 388 Y HA 0.634 5.183 4.550 -0.002 0.000 0.326 388 Y C 0.076 176.005 175.900 0.047 0.000 1.186 388 Y CA -0.596 57.536 58.100 0.053 0.000 1.200 388 Y CB 1.827 40.314 38.460 0.045 0.000 1.247 388 Y HN 0.774 nan 8.280 nan 0.000 0.482 389 V N 0.684 120.196 119.914 -0.670 0.000 2.872 389 V HA 0.467 4.586 4.120 -0.002 0.000 0.257 389 V C -1.041 174.707 176.094 -0.577 0.000 1.698 389 V CA -0.856 61.107 62.300 -0.561 0.000 0.913 389 V CB 0.362 32.080 31.823 -0.176 0.000 1.269 389 V HN 0.848 nan 8.190 nan 0.000 0.463 390 K N 3.416 123.518 120.400 -0.497 0.000 2.368 390 K HA 0.593 4.911 4.320 -0.002 0.000 0.282 390 K C 0.249 176.784 176.600 -0.108 0.000 1.035 390 K CA -0.033 56.099 56.287 -0.259 0.000 0.973 390 K CB 0.611 32.991 32.500 -0.199 0.000 0.957 390 K HN 0.998 nan 8.250 nan 0.000 0.474 391 E N 2.389 122.565 120.200 -0.040 0.000 2.481 391 E HA 0.021 4.370 4.350 -0.002 0.000 0.263 391 E C -2.004 174.591 176.600 -0.009 0.000 0.992 391 E CA -1.158 55.240 56.400 -0.003 0.000 0.938 391 E CB 0.458 30.169 29.700 0.020 0.000 0.933 391 E HN 0.443 nan 8.360 nan 0.000 0.453 392 P HA 0.018 nan 4.420 nan 0.000 0.267 392 P C -0.589 176.707 177.300 -0.007 0.000 1.205 392 P CA 0.094 63.166 63.100 -0.046 0.000 0.765 392 P CB 0.457 32.093 31.700 -0.106 0.000 0.828 393 E N 2.919 123.095 120.200 -0.040 0.000 2.292 393 E HA 0.026 4.375 4.350 -0.002 0.000 0.265 393 E C 0.456 177.243 176.600 0.311 0.000 1.093 393 E CA 0.031 56.497 56.400 0.111 0.000 0.922 393 E CB -0.055 29.677 29.700 0.053 0.000 1.001 393 E HN 0.178 nan 8.360 nan 0.000 0.444 394 R N 2.731 123.390 120.500 0.264 0.000 2.905 394 R HA 0.316 4.655 4.340 -0.002 0.000 0.273 394 R C 0.288 176.815 176.300 0.377 0.000 1.033 394 R CA 1.086 57.353 56.100 0.279 0.000 1.182 394 R CB 0.161 30.557 30.300 0.160 0.000 1.097 394 R HN 0.755 nan 8.270 nan 0.000 0.504 395 G N -1.741 107.232 108.800 0.288 0.000 2.699 395 G HA2 0.027 3.986 3.960 -0.002 0.000 0.686 395 G HA3 0.027 3.986 3.960 -0.002 0.000 0.686 395 G C -0.949 174.076 174.900 0.210 0.000 1.301 395 G CA -0.517 44.670 45.100 0.146 0.000 0.816 395 G HN 0.842 nan 8.290 nan 0.000 0.595 396 L N -0.501 120.711 121.223 -0.018 0.000 2.375 396 L HA 0.885 5.223 4.340 -0.002 0.000 0.271 396 L C 0.270 177.016 176.870 -0.206 0.000 1.107 396 L CA -0.467 54.397 54.840 0.041 0.000 0.806 396 L CB 0.447 42.482 42.059 -0.040 0.000 1.146 396 L HN 1.040 nan 8.230 nan 0.000 0.447 397 W N -0.004 121.373 121.300 0.128 0.000 2.950 397 W HA 0.772 5.431 4.660 -0.002 0.000 0.340 397 W C -0.078 176.495 176.519 0.090 0.000 1.139 397 W CA -0.378 57.044 57.345 0.128 0.000 1.188 397 W CB 1.559 31.142 29.460 0.206 0.000 1.426 397 W HN 0.709 nan 8.180 nan 0.000 0.531 398 E N 0.501 120.883 120.200 0.303 0.000 2.256 398 E HA 0.288 4.637 4.350 -0.002 0.000 0.267 398 E C -0.650 176.067 176.600 0.195 0.000 0.892 398 E CA -0.831 55.684 56.400 0.192 0.000 0.775 398 E CB 1.465 31.244 29.700 0.133 0.000 1.207 398 E HN 0.613 nan 8.360 nan 0.000 0.420 399 N N 1.493 120.249 118.700 0.093 0.000 2.746 399 N HA -0.183 4.556 4.740 -0.002 0.000 0.250 399 N C -0.754 174.773 175.510 0.029 0.000 1.055 399 N CA -0.099 52.991 53.050 0.066 0.000 0.699 399 N CB -1.036 37.664 38.487 0.354 0.000 0.919 399 N HN 0.400 nan 8.380 nan 0.000 0.548 400 I N 1.100 121.631 120.570 -0.064 0.000 2.428 400 I HA 0.316 4.485 4.170 -0.002 0.000 0.289 400 I C 0.887 177.144 176.117 0.233 0.000 1.019 400 I CA -0.789 60.622 61.300 0.185 0.000 1.351 400 I CB 1.044 39.232 38.000 0.314 0.000 1.412 400 I HN -0.074 nan 8.210 nan 0.000 0.513 401 V N 3.847 123.966 119.914 0.343 0.000 2.769 401 V HA 0.516 4.635 4.120 -0.002 0.000 0.312 401 V C -1.346 174.826 176.094 0.130 0.000 1.061 401 V CA -0.900 61.578 62.300 0.297 0.000 0.931 401 V CB 1.835 33.867 31.823 0.348 0.000 1.010 401 V HN 0.589 nan 8.190 nan 0.000 0.433 402 Y N 3.976 124.119 120.300 -0.261 0.000 2.364 402 Y HA 0.807 5.356 4.550 -0.002 0.000 0.340 402 Y C -0.895 174.616 175.900 -0.649 0.000 0.975 402 Y CA -1.272 56.435 58.100 -0.656 0.000 1.089 402 Y CB 1.849 39.764 38.460 -0.908 0.000 1.192 402 Y HN 0.771 nan 8.280 nan 0.000 0.454 403 L N 7.057 127.405 121.223 -1.458 0.000 2.376 403 L HA 0.442 4.781 4.340 -0.002 0.000 0.275 403 L C -1.131 174.851 176.870 -1.480 0.000 0.987 403 L CA -0.915 53.177 54.840 -1.246 0.000 0.828 403 L CB 1.667 43.067 42.059 -1.098 0.000 1.249 403 L HN 0.630 nan 8.230 nan 0.000 0.409 404 D N 1.914 121.738 120.400 -0.961 0.000 2.269 404 D HA 0.432 5.071 4.640 -0.002 0.000 0.244 404 D C -0.842 175.162 176.300 -0.493 0.000 0.992 404 D CA -0.539 53.077 54.000 -0.641 0.000 0.894 404 D CB 2.083 42.716 40.800 -0.278 0.000 1.248 404 D HN 0.062 nan 8.370 nan 0.000 0.468 405 F N 0.350 120.147 119.950 -0.255 0.000 2.410 405 F HA 0.303 4.829 4.527 -0.002 0.000 0.348 405 F C 1.586 177.285 175.800 -0.169 0.000 1.106 405 F CA -0.692 57.188 58.000 -0.199 0.000 1.163 405 F CB 0.908 39.809 39.000 -0.165 0.000 1.129 405 F HN -0.000 nan 8.300 nan 0.000 0.516 406 R N 1.818 122.317 120.500 -0.002 0.000 2.399 406 R HA 0.067 4.406 4.340 -0.002 0.000 0.324 406 R C 0.308 176.591 176.300 -0.028 0.000 1.030 406 R CA 0.222 56.300 56.100 -0.037 0.000 0.984 406 R CB 0.042 30.304 30.300 -0.064 0.000 0.961 406 R HN 0.856 nan 8.270 nan 0.000 0.433 407 S N 2.417 118.096 115.700 -0.035 0.000 3.447 407 S HA -0.178 4.291 4.470 -0.002 0.000 0.371 407 S C 1.212 175.783 174.600 -0.048 0.000 0.951 407 S CA 0.318 58.492 58.200 -0.044 0.000 1.269 407 S CB -1.049 62.121 63.200 -0.050 0.000 0.919 407 S HN 0.620 nan 8.310 nan 0.000 0.516 408 L N 1.603 122.792 121.223 -0.056 0.000 1.957 408 L HA -0.213 4.125 4.340 -0.002 0.000 0.228 408 L C 2.086 178.971 176.870 0.026 0.000 1.086 408 L CA 2.279 57.068 54.840 -0.084 0.000 0.796 408 L CB -0.862 41.089 42.059 -0.180 0.000 0.900 408 L HN 0.547 nan 8.230 nan 0.000 0.439 409 Y N -0.159 120.059 120.300 -0.135 0.000 2.069 409 Y HA -0.190 4.359 4.550 -0.002 0.000 0.278 409 Y C 0.192 176.034 175.900 -0.096 0.000 1.175 409 Y CA 1.643 59.659 58.100 -0.139 0.000 1.134 409 Y CB -2.706 35.649 38.460 -0.174 0.000 0.965 409 Y HN 0.337 nan 8.280 nan 0.000 0.498 410 P HA -0.172 nan 4.420 nan 0.000 0.215 410 P C 2.098 179.342 177.300 -0.092 0.000 1.157 410 P CA 2.830 65.924 63.100 -0.009 0.000 0.868 410 P CB -0.230 31.455 31.700 -0.025 0.000 0.788 411 S N -0.723 114.913 115.700 -0.106 0.000 2.374 411 S HA -0.215 4.254 4.470 -0.002 0.000 0.227 411 S C 1.974 176.423 174.600 -0.252 0.000 1.037 411 S CA 1.444 59.537 58.200 -0.178 0.000 1.024 411 S CB -1.740 61.351 63.200 -0.182 0.000 0.861 411 S HN 0.031 nan 8.310 nan 0.000 0.456 412 I N 1.732 122.172 120.570 -0.215 0.000 2.113 412 I HA -0.170 3.999 4.170 -0.002 0.000 0.238 412 I C 2.536 178.474 176.117 -0.297 0.000 1.070 412 I CA 1.710 62.843 61.300 -0.279 0.000 1.332 412 I CB -0.599 37.346 38.000 -0.091 0.000 1.044 412 I HN 0.307 nan 8.210 nan 0.000 0.402 413 I N 0.849 121.320 120.570 -0.166 0.000 2.113 413 I HA -0.373 3.796 4.170 -0.002 0.000 0.242 413 I C 2.653 178.655 176.117 -0.192 0.000 1.064 413 I CA 1.923 63.143 61.300 -0.133 0.000 1.320 413 I CB -0.518 37.462 38.000 -0.033 0.000 1.028 413 I HN 0.313 nan 8.210 nan 0.000 0.406 414 I N 0.360 120.804 120.570 -0.210 0.000 2.179 414 I HA -0.281 3.887 4.170 -0.002 0.000 0.242 414 I C 2.511 178.477 176.117 -0.253 0.000 1.088 414 I CA 1.750 62.925 61.300 -0.209 0.000 1.357 414 I CB -0.153 37.728 38.000 -0.198 0.000 1.051 414 I HN 0.243 nan 8.210 nan 0.000 0.409 415 T N 0.320 114.660 114.554 -0.356 0.000 2.502 415 T HA -0.312 4.037 4.350 -0.002 0.000 0.258 415 T C 1.602 176.035 174.700 -0.444 0.000 1.146 415 T CA 2.328 64.148 62.100 -0.467 0.000 1.208 415 T CB -0.957 67.455 68.868 -0.759 0.000 0.864 415 T HN 0.556 nan 8.240 nan 0.000 0.402 416 H N 1.311 120.126 119.070 -0.426 0.000 2.543 416 H HA 0.104 4.659 4.556 -0.002 0.000 0.286 416 H C 1.028 176.189 175.328 -0.278 0.000 1.037 416 H CA 0.481 56.264 56.048 -0.442 0.000 1.250 416 H CB -0.346 28.822 29.762 -0.990 0.000 1.373 416 H HN 0.474 nan 8.280 nan 0.000 0.580 417 N N 0.293 118.889 118.700 -0.174 0.000 2.726 417 N HA -0.173 4.566 4.740 -0.002 0.000 0.253 417 N C -1.212 174.245 175.510 -0.087 0.000 1.059 417 N CA -0.291 52.693 53.050 -0.109 0.000 0.701 417 N CB -0.664 37.771 38.487 -0.087 0.000 0.899 417 N HN 0.008 nan 8.380 nan 0.000 0.548 418 V N 1.274 121.063 119.914 -0.209 0.000 2.455 418 V HA 0.486 4.605 4.120 -0.002 0.000 0.273 418 V C 0.636 176.754 176.094 0.041 0.000 1.045 418 V CA 0.185 62.250 62.300 -0.392 0.000 0.976 418 V CB 1.332 32.851 31.823 -0.506 0.000 0.993 418 V HN 0.399 nan 8.190 nan 0.000 0.475 419 S N 5.577 121.423 115.700 0.243 0.000 2.560 419 S HA 0.437 4.906 4.470 -0.002 0.000 0.283 419 S C -2.176 172.626 174.600 0.338 0.000 1.141 419 S CA -0.678 57.724 58.200 0.336 0.000 0.902 419 S CB 2.395 65.774 63.200 0.299 0.000 1.104 419 S HN 0.509 nan 8.310 nan 0.000 0.454 420 P HA -0.100 nan 4.420 nan 0.000 0.224 420 P C 0.468 177.922 177.300 0.256 0.000 1.142 420 P CA 1.174 64.438 63.100 0.273 0.000 0.778 420 P CB -0.128 31.786 31.700 0.357 0.000 0.764 421 D N -1.057 119.524 120.400 0.302 0.000 2.349 421 D HA -0.022 4.617 4.640 -0.002 0.000 0.214 421 D C 1.081 177.563 176.300 0.304 0.000 1.063 421 D CA 0.643 54.819 54.000 0.293 0.000 0.847 421 D CB -0.690 40.307 40.800 0.328 0.000 0.933 421 D HN 0.219 nan 8.370 nan 0.000 0.513 422 T N -2.980 111.700 114.554 0.210 0.000 3.016 422 T HA 0.162 4.511 4.350 -0.002 0.000 0.271 422 T C 0.691 175.450 174.700 0.099 0.000 0.968 422 T CA -0.566 61.579 62.100 0.074 0.000 0.891 422 T CB 0.148 68.964 68.868 -0.087 0.000 1.149 422 T HN 0.061 nan 8.240 nan 0.000 0.524 423 L N 3.326 124.597 121.223 0.080 0.000 2.500 423 L HA 0.277 4.616 4.340 -0.002 0.000 0.272 423 L C -0.288 176.516 176.870 -0.110 0.000 1.149 423 L CA 0.962 55.680 54.840 -0.204 0.000 0.897 423 L CB -0.870 41.096 42.059 -0.154 0.000 1.178 423 L HN 0.407 nan 8.230 nan 0.000 0.473 424 N N 2.644 121.255 118.700 -0.148 0.000 2.708 424 N HA -0.231 4.508 4.740 -0.002 0.000 0.249 424 N C 0.129 175.683 175.510 0.073 0.000 1.097 424 N CA 0.783 53.809 53.050 -0.040 0.000 0.710 424 N CB -1.040 37.412 38.487 -0.058 0.000 1.032 424 N HN 0.580 nan 8.380 nan 0.000 0.551 425 R N 2.435 123.030 120.500 0.158 0.000 2.343 425 R HA 0.036 4.375 4.340 -0.002 0.000 0.326 425 R C 0.517 176.985 176.300 0.279 0.000 1.055 425 R CA -0.168 56.058 56.100 0.211 0.000 0.961 425 R CB 0.411 30.847 30.300 0.226 0.000 0.978 425 R HN 0.137 nan 8.270 nan 0.000 0.443 426 E N 3.610 123.927 120.200 0.195 0.000 2.366 426 E HA 0.283 4.632 4.350 -0.002 0.000 0.266 426 E C 0.331 177.050 176.600 0.198 0.000 1.051 426 E CA 0.214 56.723 56.400 0.181 0.000 0.884 426 E CB 0.995 30.753 29.700 0.096 0.000 1.006 426 E HN 0.720 nan 8.360 nan 0.000 0.417 427 G N 1.812 110.736 108.800 0.207 0.000 2.201 427 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.212 427 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.212 427 G C 0.187 175.191 174.900 0.172 0.000 0.994 427 G CA -0.035 45.164 45.100 0.165 0.000 0.644 427 G HN 0.687 nan 8.290 nan 0.000 0.508 428 c N 1.025 119.758 118.600 0.222 0.000 2.520 428 c HA 0.573 5.142 4.570 -0.002 0.000 0.376 428 c C 1.756 175.927 174.090 0.134 0.000 1.268 428 c CA 0.350 56.703 56.329 0.041 0.000 2.414 428 c CB 1.311 43.587 42.510 -0.389 0.000 2.521 428 c HN 0.679 nan 8.230 nan 0.000 0.618 429 K N 0.632 121.056 120.400 0.039 0.000 2.374 429 K HA 0.228 4.547 4.320 -0.002 0.000 0.196 429 K C 0.245 176.900 176.600 0.093 0.000 1.023 429 K CA 0.406 56.750 56.287 0.095 0.000 1.103 429 K CB 0.645 33.179 32.500 0.056 0.000 0.848 429 K HN 0.787 nan 8.250 nan 0.000 0.528 430 E N 0.097 120.270 120.200 -0.045 0.000 2.354 430 E HA 0.239 4.588 4.350 -0.002 0.000 0.283 430 E C -1.675 174.774 176.600 -0.251 0.000 0.938 430 E CA -0.783 55.616 56.400 -0.002 0.000 0.777 430 E CB 1.124 30.817 29.700 -0.012 0.000 1.222 430 E HN 0.056 nan 8.360 nan 0.000 0.423 431 Y N 0.799 121.137 120.300 0.063 0.000 2.790 431 Y HA 0.548 5.096 4.550 -0.002 0.000 0.323 431 Y C -0.360 175.623 175.900 0.138 0.000 1.230 431 Y CA -0.837 57.319 58.100 0.092 0.000 1.121 431 Y CB 1.674 40.178 38.460 0.074 0.000 1.328 431 Y HN 0.351 nan 8.280 nan 0.000 0.514 432 D N 0.404 121.042 120.400 0.396 0.000 2.936 432 D HA 0.469 5.108 4.640 -0.002 0.000 0.238 432 D C -1.584 174.991 176.300 0.457 0.000 1.248 432 D CA -0.222 54.016 54.000 0.396 0.000 0.903 432 D CB 2.764 43.808 40.800 0.408 0.000 1.544 432 D HN 0.177 nan 8.370 nan 0.000 0.543 433 V N 1.487 121.569 119.914 0.281 0.000 2.398 433 V HA 0.587 4.706 4.120 -0.002 0.000 0.286 433 V C 0.502 176.426 176.094 -0.282 0.000 1.026 433 V CA -0.858 61.482 62.300 0.066 0.000 0.868 433 V CB 1.421 33.230 31.823 -0.024 0.000 0.982 433 V HN 0.680 nan 8.190 nan 0.000 0.443 434 A N 7.244 129.670 122.820 -0.657 0.000 2.409 434 A HA 0.627 4.946 4.320 -0.002 0.000 0.262 434 A C -2.331 174.783 177.584 -0.784 0.000 1.113 434 A CA -1.246 49.907 52.037 -1.474 0.000 0.790 434 A CB -0.117 18.189 19.000 -1.157 0.000 1.046 434 A HN 0.673 nan 8.150 nan 0.000 0.496 435 P HA -0.018 nan 4.420 nan 0.000 0.267 435 P C 0.444 177.549 177.300 -0.325 0.000 1.195 435 P CA 0.397 63.238 63.100 -0.432 0.000 0.773 435 P CB 0.392 31.860 31.700 -0.387 0.000 0.837 436 Q N -0.465 119.194 119.800 -0.236 0.000 1.850 436 Q HA -0.294 4.045 4.340 -0.002 0.000 0.177 436 Q C 1.645 177.512 176.000 -0.222 0.000 2.930 436 Q CA 2.561 58.248 55.803 -0.193 0.000 0.222 436 Q CB -2.919 25.722 28.738 -0.161 0.000 0.308 436 Q HN 0.459 nan 8.270 nan 0.000 0.372 437 V N -1.592 118.173 119.914 -0.248 0.000 2.490 437 V HA 0.085 4.204 4.120 -0.002 0.000 0.250 437 V C 1.743 177.528 176.094 -0.515 0.000 1.061 437 V CA 3.566 65.664 62.300 -0.337 0.000 1.064 437 V CB -1.208 30.492 31.823 -0.206 0.000 0.670 437 V HN 1.208 nan 8.190 nan 0.000 0.461 438 G N -0.201 108.366 108.800 -0.388 0.000 2.205 438 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.269 438 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.269 438 G C 0.202 174.925 174.900 -0.295 0.000 0.977 438 G CA 0.740 45.644 45.100 -0.326 0.000 0.652 438 G HN 0.884 nan 8.290 nan 0.000 0.539 439 H N 0.806 119.784 119.070 -0.152 0.000 3.140 439 H HA 0.142 4.697 4.556 -0.002 0.000 0.316 439 H C 1.177 176.345 175.328 -0.267 0.000 0.986 439 H CA 0.519 56.432 56.048 -0.225 0.000 1.397 439 H CB 0.357 29.986 29.762 -0.222 0.000 1.377 439 H HN 0.407 nan 8.280 nan 0.000 0.585 440 R N 2.810 123.178 120.500 -0.219 0.000 2.349 440 R HA 0.282 4.621 4.340 -0.002 0.000 0.299 440 R C -0.579 175.563 176.300 -0.263 0.000 1.027 440 R CA -0.343 55.693 56.100 -0.106 0.000 0.958 440 R CB 0.682 30.900 30.300 -0.136 0.000 1.047 440 R HN 0.341 nan 8.270 nan 0.000 0.468 441 F N 1.776 121.903 119.950 0.295 0.000 2.445 441 F HA 0.211 4.737 4.527 -0.002 0.000 0.348 441 F C 0.520 176.393 175.800 0.122 0.000 1.125 441 F CA -0.887 57.242 58.000 0.215 0.000 0.983 441 F CB 1.164 40.285 39.000 0.202 0.000 1.198 441 F HN 0.509 nan 8.300 nan 0.000 0.436 442 c N 4.699 123.346 118.600 0.078 0.000 2.634 442 c HA 0.113 4.682 4.570 -0.002 0.000 0.417 442 c C 1.338 175.219 174.090 -0.348 0.000 1.334 442 c CA 0.001 56.086 56.329 -0.408 0.000 1.829 442 c CB 0.058 42.335 42.510 -0.388 0.000 2.665 442 c HN 0.876 nan 8.230 nan 0.000 0.614 443 K N 2.674 122.841 120.400 -0.389 0.000 2.412 443 K HA 0.093 4.412 4.320 -0.002 0.000 0.202 443 K C 1.265 177.740 176.600 -0.209 0.000 1.102 443 K CA 0.291 56.437 56.287 -0.236 0.000 1.027 443 K CB -0.181 32.242 32.500 -0.129 0.000 0.931 443 K HN 0.698 nan 8.250 nan 0.000 0.557 444 D N 1.184 121.451 120.400 -0.221 0.000 2.172 444 D HA -0.145 4.494 4.640 -0.002 0.000 0.196 444 D C 0.414 176.764 176.300 0.083 0.000 0.999 444 D CA 1.301 55.274 54.000 -0.045 0.000 0.856 444 D CB -0.049 40.774 40.800 0.038 0.000 0.934 444 D HN 0.270 nan 8.370 nan 0.000 0.453 445 F N -2.425 117.508 119.950 -0.029 0.000 2.591 445 F HA 0.518 5.044 4.527 -0.002 0.000 0.309 445 F C -2.872 172.935 175.800 0.010 0.000 1.098 445 F CA -3.000 54.996 58.000 -0.006 0.000 0.937 445 F CB 0.778 39.780 39.000 0.003 0.000 1.250 445 F HN -0.329 nan 8.300 nan 0.000 0.447 446 P HA 0.187 nan 4.420 nan 0.000 0.263 446 P C 0.002 177.434 177.300 0.219 0.000 1.195 446 P CA 0.319 63.484 63.100 0.109 0.000 0.762 446 P CB 0.933 32.697 31.700 0.106 0.000 0.799 447 G N 2.625 111.482 108.800 0.095 0.000 2.476 447 G HA2 0.147 4.106 3.960 -0.002 0.000 0.269 447 G HA3 0.147 4.106 3.960 -0.002 0.000 0.269 447 G C 0.432 175.484 174.900 0.253 0.000 1.195 447 G CA -0.585 44.638 45.100 0.205 0.000 0.843 447 G HN 0.349 nan 8.290 nan 0.000 0.545 448 F N 2.112 122.138 119.950 0.127 0.000 2.052 448 F HA -0.261 4.265 4.527 -0.002 0.000 0.297 448 F C 2.464 178.255 175.800 -0.016 0.000 1.166 448 F CA 1.675 59.697 58.000 0.038 0.000 1.218 448 F CB -0.318 38.688 39.000 0.010 0.000 0.943 448 F HN 0.276 nan 8.300 nan 0.000 0.521 449 I N 0.770 121.275 120.570 -0.109 0.000 2.087 449 I HA -0.277 3.892 4.170 -0.002 0.000 0.240 449 I C -0.119 175.840 176.117 -0.265 0.000 1.054 449 I CA 2.188 63.324 61.300 -0.273 0.000 1.311 449 I CB -3.106 34.867 38.000 -0.044 0.000 1.024 449 I HN 0.180 nan 8.210 nan 0.000 0.402 450 P HA -0.156 nan 4.420 nan 0.000 0.213 450 P C 2.208 179.425 177.300 -0.139 0.000 1.170 450 P CA 2.075 65.092 63.100 -0.139 0.000 0.902 450 P CB -0.048 31.612 31.700 -0.067 0.000 0.789 451 S N -1.111 114.550 115.700 -0.065 0.000 2.378 451 S HA -0.212 4.257 4.470 -0.002 0.000 0.229 451 S C 1.807 176.354 174.600 -0.089 0.000 1.052 451 S CA 1.434 59.610 58.200 -0.039 0.000 1.084 451 S CB -1.172 62.051 63.200 0.039 0.000 0.950 451 S HN -0.023 nan 8.310 nan 0.000 0.440 452 L N 0.648 121.782 121.223 -0.149 0.000 2.017 452 L HA -0.108 4.231 4.340 -0.002 0.000 0.208 452 L C 2.517 179.279 176.870 -0.180 0.000 1.073 452 L CA 1.207 55.960 54.840 -0.145 0.000 0.745 452 L CB -0.588 41.353 42.059 -0.196 0.000 0.894 452 L HN 0.342 nan 8.230 nan 0.000 0.432 453 L N -0.226 120.785 121.223 -0.353 0.000 2.081 453 L HA -0.205 4.134 4.340 -0.002 0.000 0.212 453 L C 2.575 179.311 176.870 -0.224 0.000 1.080 453 L CA 1.504 56.099 54.840 -0.409 0.000 0.754 453 L CB -0.882 40.869 42.059 -0.513 0.000 0.893 453 L HN 0.360 nan 8.230 nan 0.000 0.433 454 G N -0.661 108.036 108.800 -0.173 0.000 2.421 454 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.216 454 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.216 454 G C 1.128 175.975 174.900 -0.088 0.000 1.171 454 G CA 0.918 45.945 45.100 -0.122 0.000 0.775 454 G HN 0.337 nan 8.290 nan 0.000 0.543 455 D N 0.419 120.779 120.400 -0.067 0.000 2.144 455 D HA -0.051 4.588 4.640 -0.002 0.000 0.199 455 D C 2.597 178.883 176.300 -0.023 0.000 0.984 455 D CA 0.313 54.294 54.000 -0.032 0.000 0.834 455 D CB -0.259 40.536 40.800 -0.008 0.000 0.955 455 D HN 0.266 nan 8.370 nan 0.000 0.465 456 L N 0.262 121.465 121.223 -0.034 0.000 2.042 456 L HA -0.168 4.171 4.340 -0.002 0.000 0.210 456 L C 2.447 179.287 176.870 -0.049 0.000 1.076 456 L CA 0.868 55.689 54.840 -0.032 0.000 0.749 456 L CB -0.174 41.839 42.059 -0.076 0.000 0.893 456 L HN 0.047 nan 8.230 nan 0.000 0.432 457 L N -0.953 120.227 121.223 -0.071 0.000 2.179 457 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 457 L C 2.466 179.304 176.870 -0.054 0.000 1.096 457 L CA 0.556 55.355 54.840 -0.067 0.000 0.779 457 L CB -0.382 41.626 42.059 -0.086 0.000 0.922 457 L HN 0.229 nan 8.230 nan 0.000 0.443 458 E N 0.633 120.803 120.200 -0.051 0.000 2.204 458 E HA -0.251 4.098 4.350 -0.002 0.000 0.195 458 E C 2.014 178.596 176.600 -0.029 0.000 0.990 458 E CA 1.355 57.731 56.400 -0.041 0.000 0.821 458 E CB 0.007 29.685 29.700 -0.037 0.000 0.750 458 E HN 0.301 nan 8.360 nan 0.000 0.477 459 E N -0.192 119.995 120.200 -0.023 0.000 2.190 459 E HA -0.051 4.298 4.350 -0.002 0.000 0.191 459 E C 1.997 178.586 176.600 -0.018 0.000 0.978 459 E CA 0.362 56.754 56.400 -0.013 0.000 0.839 459 E CB -0.014 29.687 29.700 0.001 0.000 0.787 459 E HN 0.087 nan 8.360 nan 0.000 0.473 460 R N 1.461 121.945 120.500 -0.026 0.000 2.117 460 R HA -0.217 4.122 4.340 -0.002 0.000 0.243 460 R C 2.147 178.429 176.300 -0.030 0.000 1.143 460 R CA 2.023 58.105 56.100 -0.030 0.000 0.968 460 R CB -0.419 29.857 30.300 -0.039 0.000 0.863 460 R HN 0.043 nan 8.270 nan 0.000 0.444 461 Q N 0.425 120.206 119.800 -0.032 0.000 1.942 461 Q HA -0.123 4.216 4.340 -0.002 0.000 0.203 461 Q C 1.696 177.681 176.000 -0.026 0.000 0.987 461 Q CA 1.948 57.731 55.803 -0.032 0.000 0.844 461 Q CB -0.170 28.547 28.738 -0.034 0.000 0.911 461 Q HN 0.084 nan 8.270 nan 0.000 0.423 462 K N 0.232 120.619 120.400 -0.022 0.000 2.107 462 K HA -0.186 4.133 4.320 -0.002 0.000 0.211 462 K C 2.006 178.597 176.600 -0.016 0.000 1.049 462 K CA 1.456 57.733 56.287 -0.017 0.000 0.927 462 K CB -0.662 31.830 32.500 -0.012 0.000 0.714 462 K HN 0.349 nan 8.250 nan 0.000 0.452 463 I N 1.538 122.099 120.570 -0.015 0.000 2.118 463 I HA -0.296 3.873 4.170 -0.002 0.000 0.241 463 I C 2.716 178.821 176.117 -0.020 0.000 1.070 463 I CA 2.194 63.486 61.300 -0.014 0.000 1.327 463 I CB -1.525 36.467 38.000 -0.013 0.000 1.034 463 I HN 0.220 nan 8.210 nan 0.000 0.405 464 K N 1.214 121.599 120.400 -0.025 0.000 2.148 464 K HA -0.155 4.164 4.320 -0.002 0.000 0.204 464 K C 2.441 179.025 176.600 -0.026 0.000 1.050 464 K CA 1.913 58.183 56.287 -0.028 0.000 0.942 464 K CB -1.280 31.201 32.500 -0.032 0.000 0.724 464 K HN 0.516 nan 8.250 nan 0.000 0.446 465 K N 1.971 122.357 120.400 -0.023 0.000 1.977 465 K HA -0.220 4.099 4.320 -0.002 0.000 0.218 465 K C 2.390 178.979 176.600 -0.019 0.000 1.051 465 K CA 2.180 58.455 56.287 -0.021 0.000 0.953 465 K CB -0.984 31.504 32.500 -0.019 0.000 0.727 465 K HN 0.692 nan 8.250 nan 0.000 0.445 466 K N 0.017 120.407 120.400 -0.017 0.000 2.218 466 K HA -0.070 4.249 4.320 -0.002 0.000 0.205 466 K C 2.410 178.999 176.600 -0.018 0.000 1.046 466 K CA 1.444 57.722 56.287 -0.015 0.000 0.933 466 K CB -0.303 32.190 32.500 -0.011 0.000 0.728 466 K HN 0.271 nan 8.250 nan 0.000 0.454 467 M N 1.706 121.292 119.600 -0.022 0.000 2.108 467 M HA -0.234 4.245 4.480 -0.002 0.000 0.257 467 M C 2.114 178.399 176.300 -0.027 0.000 1.071 467 M CA 1.846 57.130 55.300 -0.028 0.000 1.093 467 M CB -0.508 32.072 32.600 -0.034 0.000 1.345 467 M HN 0.229 nan 8.290 nan 0.000 0.403 468 K N -0.851 119.535 120.400 -0.024 0.000 2.276 468 K HA 0.178 4.497 4.320 -0.002 0.000 0.198 468 K C 1.616 178.205 176.600 -0.018 0.000 1.052 468 K CA 1.098 57.371 56.287 -0.022 0.000 0.984 468 K CB -0.694 31.793 32.500 -0.022 0.000 0.836 468 K HN 0.169 nan 8.250 nan 0.000 0.490 469 A N 2.203 125.013 122.820 -0.017 0.000 2.277 469 A HA -0.033 4.286 4.320 -0.002 0.000 0.208 469 A C 0.730 178.306 177.584 -0.012 0.000 1.202 469 A CA 1.102 53.131 52.037 -0.014 0.000 0.762 469 A CB -0.941 18.052 19.000 -0.013 0.000 0.770 469 A HN 0.618 nan 8.150 nan 0.000 0.487 470 T N -2.778 111.768 114.554 -0.014 0.000 2.848 470 T HA 0.585 4.934 4.350 -0.002 0.000 0.285 470 T C 0.383 175.075 174.700 -0.013 0.000 0.995 470 T CA -0.299 61.794 62.100 -0.012 0.000 0.970 470 T CB 1.273 70.135 68.868 -0.011 0.000 0.976 470 T HN 0.537 nan 8.240 nan 0.000 0.441 471 I N -1.271 119.293 120.570 -0.010 0.000 4.018 471 I HA 0.397 4.566 4.170 -0.002 0.000 0.337 471 I C 0.114 176.226 176.117 -0.008 0.000 1.327 471 I CA -0.432 60.862 61.300 -0.010 0.000 1.100 471 I CB 0.183 38.178 38.000 -0.008 0.000 1.025 471 I HN 0.447 nan 8.210 nan 0.000 0.396 472 D N 3.528 123.924 120.400 -0.006 0.000 2.336 472 D HA 0.199 4.838 4.640 -0.002 0.000 0.249 472 D C -1.508 174.789 176.300 -0.005 0.000 1.213 472 D CA -2.285 51.713 54.000 -0.003 0.000 0.870 472 D CB 1.548 42.348 40.800 0.000 0.000 1.076 472 D HN -0.037 nan 8.370 nan 0.000 0.483 473 P HA -0.183 nan 4.420 nan 0.000 0.218 473 P C 1.369 178.667 177.300 -0.005 0.000 1.152 473 P CA 1.173 64.268 63.100 -0.008 0.000 0.857 473 P CB 0.248 31.946 31.700 -0.003 0.000 0.787 474 I N -1.071 119.502 120.570 0.005 0.000 2.141 474 I HA -0.209 3.959 4.170 -0.002 0.000 0.236 474 I C 2.470 178.595 176.117 0.013 0.000 1.071 474 I CA 1.341 62.650 61.300 0.015 0.000 1.345 474 I CB -0.759 37.254 38.000 0.021 0.000 1.066 474 I HN -0.101 nan 8.210 nan 0.000 0.406 475 E N 1.598 121.803 120.200 0.008 0.000 2.147 475 E HA -0.247 4.102 4.350 -0.002 0.000 0.199 475 E C 2.203 178.802 176.600 -0.003 0.000 1.005 475 E CA 1.693 58.097 56.400 0.006 0.000 0.810 475 E CB -0.085 29.617 29.700 0.003 0.000 0.736 475 E HN 0.300 nan 8.360 nan 0.000 0.460 476 R N -0.306 120.185 120.500 -0.014 0.000 2.092 476 R HA -0.067 4.272 4.340 -0.002 0.000 0.231 476 R C 2.307 178.576 176.300 -0.052 0.000 1.119 476 R CA 1.396 57.477 56.100 -0.032 0.000 0.970 476 R CB -0.267 30.011 30.300 -0.036 0.000 0.864 476 R HN -0.024 nan 8.270 nan 0.000 0.440 477 K N 1.337 121.708 120.400 -0.048 0.000 2.025 477 K HA -0.106 4.213 4.320 -0.002 0.000 0.207 477 K C 1.911 178.494 176.600 -0.029 0.000 1.049 477 K CA 0.970 57.204 56.287 -0.089 0.000 0.933 477 K CB -0.524 31.955 32.500 -0.035 0.000 0.714 477 K HN -0.004 nan 8.250 nan 0.000 0.438 478 L N 0.728 121.985 121.223 0.056 0.000 1.971 478 L HA -0.156 4.183 4.340 -0.002 0.000 0.215 478 L C 2.061 178.974 176.870 0.071 0.000 1.072 478 L CA 1.724 56.629 54.840 0.107 0.000 0.758 478 L CB -0.568 41.531 42.059 0.065 0.000 0.889 478 L HN 0.256 nan 8.230 nan 0.000 0.433 479 L N -0.660 120.576 121.223 0.021 0.000 2.129 479 L HA -0.272 4.067 4.340 -0.002 0.000 0.212 479 L C 2.249 179.110 176.870 -0.015 0.000 1.087 479 L CA 1.578 56.420 54.840 0.005 0.000 0.757 479 L CB -0.654 41.398 42.059 -0.011 0.000 0.896 479 L HN 0.429 nan 8.230 nan 0.000 0.434 480 D N -0.696 119.665 120.400 -0.065 0.000 2.084 480 D HA -0.230 4.409 4.640 -0.002 0.000 0.194 480 D C 2.081 178.315 176.300 -0.111 0.000 0.990 480 D CA 1.519 55.436 54.000 -0.138 0.000 0.826 480 D CB -0.165 40.475 40.800 -0.267 0.000 0.971 480 D HN 0.312 nan 8.370 nan 0.000 0.453 481 Y N 0.217 120.500 120.300 -0.027 0.000 2.333 481 Y HA -0.108 4.441 4.550 -0.002 0.000 0.290 481 Y C 2.657 178.543 175.900 -0.024 0.000 1.144 481 Y CA 0.812 58.895 58.100 -0.028 0.000 1.228 481 Y CB 0.062 38.504 38.460 -0.030 0.000 0.985 481 Y HN -0.078 nan 8.280 nan 0.000 0.542 482 R N 0.256 120.829 120.500 0.121 0.000 2.075 482 R HA -0.236 4.102 4.340 -0.002 0.000 0.230 482 R C 2.381 178.700 176.300 0.032 0.000 1.140 482 R CA 1.925 58.063 56.100 0.063 0.000 0.928 482 R CB -0.429 29.895 30.300 0.040 0.000 0.834 482 R HN 0.396 nan 8.270 nan 0.000 0.429 483 Q N 0.532 120.338 119.800 0.010 0.000 2.197 483 Q HA -0.194 4.144 4.340 -0.002 0.000 0.207 483 Q C 1.831 177.827 176.000 -0.007 0.000 0.984 483 Q CA 1.687 57.485 55.803 -0.009 0.000 0.869 483 Q CB -0.368 28.355 28.738 -0.024 0.000 0.906 483 Q HN 0.172 nan 8.270 nan 0.000 0.426 484 R N 0.124 120.629 120.500 0.009 0.000 2.075 484 R HA 0.008 4.347 4.340 -0.002 0.000 0.232 484 R C 2.343 178.656 176.300 0.021 0.000 1.126 484 R CA 1.450 57.562 56.100 0.020 0.000 0.963 484 R CB -0.584 29.750 30.300 0.057 0.000 0.858 484 R HN 0.452 nan 8.270 nan 0.000 0.435 485 A N 1.047 123.885 122.820 0.031 0.000 1.858 485 A HA -0.177 4.142 4.320 -0.002 0.000 0.216 485 A C 2.123 179.685 177.584 -0.037 0.000 1.190 485 A CA 1.439 53.477 52.037 0.003 0.000 0.617 485 A CB -0.661 18.345 19.000 0.010 0.000 0.827 485 A HN 0.256 nan 8.150 nan 0.000 0.443 486 I N -0.273 120.275 120.570 -0.037 0.000 2.194 486 I HA -0.343 3.826 4.170 -0.002 0.000 0.246 486 I C 2.603 178.685 176.117 -0.058 0.000 1.093 486 I CA 2.141 63.403 61.300 -0.064 0.000 1.355 486 I CB -0.392 37.582 38.000 -0.043 0.000 1.046 486 I HN 0.483 nan 8.210 nan 0.000 0.413 487 K N 1.632 122.011 120.400 -0.035 0.000 2.032 487 K HA -0.213 4.106 4.320 -0.002 0.000 0.209 487 K C 2.101 178.688 176.600 -0.022 0.000 1.048 487 K CA 1.693 57.964 56.287 -0.026 0.000 0.927 487 K CB -0.160 32.328 32.500 -0.018 0.000 0.712 487 K HN 0.210 nan 8.250 nan 0.000 0.441 488 I N 1.366 121.921 120.570 -0.026 0.000 2.069 488 I HA -0.355 3.814 4.170 -0.002 0.000 0.237 488 I C 2.506 178.587 176.117 -0.061 0.000 1.053 488 I CA 1.335 62.617 61.300 -0.031 0.000 1.311 488 I CB -0.417 37.565 38.000 -0.029 0.000 1.030 488 I HN 0.289 nan 8.210 nan 0.000 0.398 489 L N 0.572 121.725 121.223 -0.118 0.000 2.034 489 L HA -0.358 3.981 4.340 -0.002 0.000 0.217 489 L C 2.744 179.571 176.870 -0.072 0.000 1.077 489 L CA 2.050 56.759 54.840 -0.218 0.000 0.769 489 L CB -0.435 41.405 42.059 -0.365 0.000 0.890 489 L HN 0.377 nan 8.230 nan 0.000 0.435 490 A N -0.140 122.707 122.820 0.044 0.000 1.877 490 A HA -0.214 4.105 4.320 -0.002 0.000 0.216 490 A C 1.597 179.294 177.584 0.189 0.000 1.186 490 A CA 1.862 54.002 52.037 0.173 0.000 0.620 490 A CB -0.620 18.388 19.000 0.014 0.000 0.822 490 A HN 0.608 nan 8.150 nan 0.000 0.443 491 N N 0.305 119.056 118.700 0.084 0.000 2.485 491 N HA 0.052 4.791 4.740 -0.002 0.000 0.199 491 N C 0.763 176.333 175.510 0.101 0.000 1.236 491 N CA 0.787 53.897 53.050 0.099 0.000 0.852 491 N CB 0.227 38.745 38.487 0.052 0.000 1.018 491 N HN 0.420 nan 8.380 nan 0.000 0.457 492 S N -0.888 114.843 115.700 0.051 0.000 2.539 492 S HA 0.144 4.613 4.470 -0.002 0.000 0.226 492 S C 1.263 175.827 174.600 -0.060 0.000 1.054 492 S CA -0.414 57.756 58.200 -0.049 0.000 0.910 492 S CB 0.063 63.147 63.200 -0.193 0.000 0.818 492 S HN 0.267 nan 8.310 nan 0.000 0.490 493 Y N 1.267 121.537 120.300 -0.049 0.000 2.069 493 Y HA -0.306 4.243 4.550 -0.002 0.000 0.278 493 Y C 2.204 178.093 175.900 -0.018 0.000 1.175 493 Y CA 2.138 60.173 58.100 -0.107 0.000 1.134 493 Y CB -0.785 37.569 38.460 -0.177 0.000 0.965 493 Y HN 0.404 nan 8.280 nan 0.000 0.498 494 Y N 0.154 120.560 120.300 0.176 0.000 2.053 494 Y HA -0.312 4.237 4.550 -0.002 0.000 0.277 494 Y C 2.599 178.611 175.900 0.188 0.000 1.159 494 Y CA 1.592 59.818 58.100 0.209 0.000 1.125 494 Y CB -0.877 37.729 38.460 0.242 0.000 0.969 494 Y HN 0.091 nan 8.280 nan 0.000 0.492 495 G N -0.888 107.812 108.800 -0.167 0.000 2.469 495 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.219 495 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.219 495 G C 1.482 176.314 174.900 -0.112 0.000 1.150 495 G CA 1.097 46.033 45.100 -0.272 0.000 0.763 495 G HN 0.674 nan 8.290 nan 0.000 0.561 496 Y N 0.253 120.470 120.300 -0.140 0.000 2.207 496 Y HA -0.199 4.350 4.550 -0.002 0.000 0.287 496 Y C 2.502 178.452 175.900 0.083 0.000 1.156 496 Y CA 1.377 59.440 58.100 -0.061 0.000 1.182 496 Y CB -0.307 38.038 38.460 -0.191 0.000 0.979 496 Y HN 0.236 nan 8.280 nan 0.000 0.521 497 Y N -0.138 120.115 120.300 -0.079 0.000 2.256 497 Y HA -0.093 4.456 4.550 -0.002 0.000 0.288 497 Y C 2.523 178.128 175.900 -0.492 0.000 1.155 497 Y CA 1.316 59.295 58.100 -0.202 0.000 1.203 497 Y CB -0.914 37.517 38.460 -0.049 0.000 0.980 497 Y HN 0.230 nan 8.280 nan 0.000 0.530 498 G N -2.946 105.732 108.800 -0.204 0.000 3.277 498 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.243 498 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.243 498 G C -0.323 174.669 174.900 0.154 0.000 1.107 498 G CA -0.215 44.763 45.100 -0.204 0.000 0.771 498 G HN 0.193 nan 8.290 nan 0.000 0.544 499 Y N 2.491 122.770 120.300 -0.035 0.000 2.569 499 Y HA 0.376 4.925 4.550 -0.002 0.000 0.332 499 Y C 1.440 177.438 175.900 0.163 0.000 1.120 499 Y CA -1.051 57.066 58.100 0.028 0.000 1.416 499 Y CB 1.029 39.437 38.460 -0.086 0.000 1.210 499 Y HN 0.084 nan 8.280 nan 0.000 0.528 500 A N 6.650 129.447 122.820 -0.039 0.000 1.903 500 A HA -0.257 4.062 4.320 -0.002 0.000 0.219 500 A C 2.211 179.493 177.584 -0.503 0.000 1.191 500 A CA 2.127 54.002 52.037 -0.270 0.000 0.638 500 A CB -0.408 18.467 19.000 -0.208 0.000 0.823 500 A HN 0.876 nan 8.150 nan 0.000 0.451 501 R N -0.363 119.581 120.500 -0.927 0.000 2.323 501 R HA 0.221 4.560 4.340 -0.002 0.000 0.198 501 R C 0.718 176.730 176.300 -0.479 0.000 0.988 501 R CA 0.220 55.866 56.100 -0.757 0.000 1.041 501 R CB -0.343 29.479 30.300 -0.797 0.000 0.926 501 R HN 0.495 nan 8.270 nan 0.000 0.476 502 A N 0.974 123.576 122.820 -0.364 0.000 2.524 502 A HA 0.016 4.335 4.320 -0.002 0.000 0.250 502 A C 0.776 178.413 177.584 0.088 0.000 1.078 502 A CA -0.024 52.002 52.037 -0.019 0.000 0.761 502 A CB 0.305 19.076 19.000 -0.381 0.000 1.012 502 A HN 0.335 nan 8.150 nan 0.000 0.500 503 R N 2.124 122.753 120.500 0.214 0.000 2.073 503 R HA -0.094 4.245 4.340 -0.002 0.000 0.234 503 R C 0.213 176.520 176.300 0.011 0.000 1.134 503 R CA 1.408 57.507 56.100 -0.002 0.000 0.952 503 R CB 0.028 30.177 30.300 -0.251 0.000 0.850 503 R HN 0.898 nan 8.270 nan 0.000 0.433 504 W N 1.238 122.747 121.300 0.348 0.000 2.237 504 W HA 0.108 4.767 4.660 -0.002 0.000 0.420 504 W C -0.359 176.343 176.519 0.304 0.000 0.635 504 W CA -0.986 56.578 57.345 0.365 0.000 2.255 504 W CB -0.712 29.060 29.460 0.519 0.000 1.432 504 W HN 0.096 nan 8.180 nan 0.000 0.643 505 Y N 0.681 121.094 120.300 0.188 0.000 2.550 505 Y HA 0.083 4.632 4.550 -0.002 0.000 0.343 505 Y C 0.358 176.356 175.900 0.164 0.000 1.245 505 Y CA 0.707 58.858 58.100 0.086 0.000 1.462 505 Y CB 0.886 39.344 38.460 -0.004 0.000 1.340 505 Y HN 0.098 nan 8.280 nan 0.000 0.604 506 C N 8.031 127.099 119.300 -0.388 0.000 3.055 506 C HA 0.199 4.658 4.460 -0.002 0.000 0.368 506 C C 0.732 175.449 174.990 -0.455 0.000 0.905 506 C CA -1.094 57.769 59.018 -0.259 0.000 1.211 506 C CB -1.000 26.647 27.740 -0.155 0.000 1.559 506 C HN 1.089 nan 8.230 nan 0.000 0.598 507 K N 1.890 122.026 120.400 -0.439 0.000 2.097 507 K HA -0.110 4.209 4.320 -0.002 0.000 0.206 507 K C 1.546 178.022 176.600 -0.207 0.000 1.049 507 K CA 2.476 58.599 56.287 -0.273 0.000 0.933 507 K CB 0.190 32.681 32.500 -0.014 0.000 0.717 507 K HN 0.779 nan 8.250 nan 0.000 0.442 508 E N -0.171 119.865 120.200 -0.274 0.000 2.058 508 E HA -0.187 4.162 4.350 -0.002 0.000 0.194 508 E C 2.119 178.530 176.600 -0.316 0.000 0.997 508 E CA 1.699 57.758 56.400 -0.569 0.000 0.801 508 E CB -0.481 28.803 29.700 -0.693 0.000 0.746 508 E HN 0.342 nan 8.360 nan 0.000 0.450 509 C N 0.614 119.775 119.300 -0.233 0.000 2.413 509 C HA -0.139 4.320 4.460 -0.002 0.000 0.278 509 C C 2.792 177.666 174.990 -0.194 0.000 1.224 509 C CA 0.783 59.639 59.018 -0.269 0.000 1.732 509 C CB -1.247 25.914 27.740 -0.965 0.000 2.050 509 C HN 0.564 nan 8.230 nan 0.000 0.463 510 A N 0.910 123.625 122.820 -0.175 0.000 1.859 510 A HA -0.303 4.016 4.320 -0.002 0.000 0.218 510 A C 1.922 179.592 177.584 0.143 0.000 1.209 510 A CA 2.396 54.498 52.037 0.108 0.000 0.639 510 A CB -0.992 18.007 19.000 -0.000 0.000 0.835 510 A HN 0.727 nan 8.150 nan 0.000 0.450 511 E N -0.259 119.978 120.200 0.062 0.000 2.086 511 E HA -0.220 4.129 4.350 -0.002 0.000 0.205 511 E C 2.379 179.020 176.600 0.068 0.000 1.027 511 E CA 1.838 58.291 56.400 0.088 0.000 0.830 511 E CB -0.291 29.479 29.700 0.117 0.000 0.751 511 E HN 0.655 nan 8.360 nan 0.000 0.456 512 S N 0.430 116.183 115.700 0.088 0.000 2.359 512 S HA -0.157 4.312 4.470 -0.002 0.000 0.224 512 S C 2.259 176.933 174.600 0.122 0.000 1.035 512 S CA 1.238 59.472 58.200 0.056 0.000 1.018 512 S CB -0.358 62.955 63.200 0.188 0.000 0.876 512 S HN 0.063 nan 8.310 nan 0.000 0.448 513 V N 2.152 122.112 119.914 0.077 0.000 2.287 513 V HA -0.223 3.896 4.120 -0.002 0.000 0.248 513 V C 2.581 178.521 176.094 -0.257 0.000 1.053 513 V CA 2.274 64.542 62.300 -0.053 0.000 1.027 513 V CB -1.525 30.163 31.823 -0.226 0.000 0.646 513 V HN 0.546 nan 8.190 nan 0.000 0.447 514 T N 0.298 114.671 114.554 -0.301 0.000 2.746 514 T HA -0.134 4.215 4.350 -0.002 0.000 0.267 514 T C 2.074 176.757 174.700 -0.029 0.000 1.039 514 T CA 1.530 63.487 62.100 -0.239 0.000 1.142 514 T CB -0.479 68.364 68.868 -0.042 0.000 0.866 514 T HN 0.575 nan 8.240 nan 0.000 0.444 515 A N 1.643 124.447 122.820 -0.025 0.000 1.841 515 A HA -0.137 4.182 4.320 -0.002 0.000 0.216 515 A C 2.179 179.742 177.584 -0.034 0.000 1.199 515 A CA 1.393 53.391 52.037 -0.065 0.000 0.621 515 A CB -1.236 17.652 19.000 -0.187 0.000 0.835 515 A HN 0.566 nan 8.150 nan 0.000 0.445 516 W N -0.098 121.134 121.300 -0.114 0.000 2.304 516 W HA -0.222 4.437 4.660 -0.002 0.000 0.315 516 W C 2.557 179.034 176.519 -0.069 0.000 1.233 516 W CA 1.705 58.956 57.345 -0.157 0.000 1.261 516 W CB -1.403 28.051 29.460 -0.009 0.000 1.150 516 W HN 0.463 nan 8.180 nan 0.000 0.494 517 G N 0.022 108.990 108.800 0.280 0.000 2.553 517 G HA2 -0.354 3.605 3.960 -0.002 0.000 0.218 517 G HA3 -0.354 3.605 3.960 -0.002 0.000 0.218 517 G C 1.723 176.691 174.900 0.114 0.000 1.195 517 G CA 1.647 46.877 45.100 0.217 0.000 0.779 517 G HN 0.227 nan 8.290 nan 0.000 0.577 518 R N 0.462 121.021 120.500 0.099 0.000 2.103 518 R HA -0.119 4.220 4.340 -0.002 0.000 0.242 518 R C 2.465 178.788 176.300 0.038 0.000 1.142 518 R CA 1.873 58.025 56.100 0.087 0.000 0.960 518 R CB -0.439 29.934 30.300 0.121 0.000 0.858 518 R HN 0.544 nan 8.270 nan 0.000 0.439 519 E N -0.576 119.601 120.200 -0.038 0.000 2.077 519 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 519 E C 1.815 178.353 176.600 -0.103 0.000 0.989 519 E CA 1.458 57.786 56.400 -0.121 0.000 0.800 519 E CB -0.152 29.397 29.700 -0.252 0.000 0.746 519 E HN 0.502 nan 8.360 nan 0.000 0.452 520 Y N 0.341 120.664 120.300 0.038 0.000 2.200 520 Y HA -0.176 4.373 4.550 -0.002 0.000 0.290 520 Y C 2.306 178.215 175.900 0.015 0.000 1.137 520 Y CA 0.702 58.789 58.100 -0.021 0.000 1.163 520 Y CB -0.015 38.331 38.460 -0.190 0.000 0.988 520 Y HN 0.053 nan 8.280 nan 0.000 0.518 521 I N -0.491 120.147 120.570 0.114 0.000 2.090 521 I HA -0.325 3.844 4.170 -0.002 0.000 0.236 521 I C 2.286 178.476 176.117 0.122 0.000 1.064 521 I CA 1.820 63.240 61.300 0.201 0.000 1.324 521 I CB -0.837 37.236 38.000 0.123 0.000 1.044 521 I HN 0.149 nan 8.210 nan 0.000 0.399 522 T N 1.308 115.896 114.554 0.056 0.000 2.685 522 T HA -0.288 4.061 4.350 -0.002 0.000 0.268 522 T C 1.905 176.621 174.700 0.027 0.000 1.034 522 T CA 1.697 63.807 62.100 0.017 0.000 1.149 522 T CB -0.318 68.574 68.868 0.040 0.000 0.860 522 T HN 0.302 nan 8.240 nan 0.000 0.449 523 M N 0.980 120.620 119.600 0.066 0.000 2.065 523 M HA -0.157 4.322 4.480 -0.002 0.000 0.259 523 M C 2.533 178.903 176.300 0.117 0.000 1.069 523 M CA 2.056 57.407 55.300 0.085 0.000 1.110 523 M CB -1.051 31.611 32.600 0.105 0.000 1.328 523 M HN 0.308 nan 8.290 nan 0.000 0.405 524 T N 0.745 115.413 114.554 0.190 0.000 2.737 524 T HA -0.090 4.259 4.350 -0.002 0.000 0.265 524 T C 1.915 176.682 174.700 0.112 0.000 1.038 524 T CA 1.557 63.798 62.100 0.235 0.000 1.144 524 T CB -0.325 68.783 68.868 0.400 0.000 0.866 524 T HN 0.466 nan 8.240 nan 0.000 0.434 525 I N 0.996 121.505 120.570 -0.102 0.000 2.236 525 I HA -0.236 3.933 4.170 -0.002 0.000 0.249 525 I C 2.629 178.622 176.117 -0.206 0.000 1.102 525 I CA 1.839 62.901 61.300 -0.398 0.000 1.365 525 I CB -0.365 37.366 38.000 -0.449 0.000 1.051 525 I HN 0.361 nan 8.210 nan 0.000 0.420 526 K N 1.008 121.365 120.400 -0.071 0.000 2.097 526 K HA -0.240 4.079 4.320 -0.002 0.000 0.205 526 K C 1.982 178.599 176.600 0.029 0.000 1.050 526 K CA 1.601 57.877 56.287 -0.018 0.000 0.938 526 K CB 0.008 32.519 32.500 0.019 0.000 0.718 526 K HN 0.162 nan 8.250 nan 0.000 0.442 527 E N 1.060 121.314 120.200 0.090 0.000 2.017 527 E HA -0.161 4.187 4.350 -0.002 0.000 0.193 527 E C 1.894 178.555 176.600 0.102 0.000 0.997 527 E CA 1.443 57.966 56.400 0.205 0.000 0.804 527 E CB -0.211 29.691 29.700 0.338 0.000 0.757 527 E HN 0.369 nan 8.360 nan 0.000 0.448 528 I N 0.669 121.114 120.570 -0.208 0.000 2.290 528 I HA -0.399 3.770 4.170 -0.002 0.000 0.253 528 I C 1.611 177.539 176.117 -0.315 0.000 1.112 528 I CA 1.712 62.443 61.300 -0.948 0.000 1.377 528 I CB -0.014 37.283 38.000 -1.171 0.000 1.060 528 I HN 0.278 nan 8.210 nan 0.000 0.428 529 E N 0.263 120.407 120.200 -0.094 0.000 2.045 529 E HA -0.165 4.183 4.350 -0.002 0.000 0.190 529 E C 1.041 177.704 176.600 0.105 0.000 0.968 529 E CA 0.854 57.284 56.400 0.049 0.000 0.813 529 E CB -0.168 29.538 29.700 0.009 0.000 0.780 529 E HN 0.607 nan 8.360 nan 0.000 0.455 530 E N 1.195 121.452 120.200 0.094 0.000 2.452 530 E HA 0.095 4.444 4.350 -0.002 0.000 0.293 530 E C 0.291 176.980 176.600 0.149 0.000 1.535 530 E CA 0.164 56.629 56.400 0.107 0.000 1.816 530 E CB 0.256 30.005 29.700 0.083 0.000 1.494 530 E HN 0.031 nan 8.360 nan 0.000 0.464 531 K N -0.154 120.364 120.400 0.197 0.000 2.014 531 K HA 0.031 4.349 4.320 -0.002 0.000 0.138 531 K C -0.506 176.203 176.600 0.183 0.000 2.057 531 K CA 0.038 56.460 56.287 0.225 0.000 1.047 531 K CB 0.487 33.235 32.500 0.413 0.000 2.102 531 K HN 0.150 nan 8.250 nan 0.000 0.436 532 Y N 0.409 120.771 120.300 0.104 0.000 2.830 532 Y HA 0.238 4.787 4.550 -0.002 0.000 0.255 532 Y C 0.595 176.695 175.900 0.334 0.000 1.130 532 Y CA -0.016 58.196 58.100 0.186 0.000 1.217 532 Y CB 1.687 40.204 38.460 0.095 0.000 1.296 532 Y HN 0.178 nan 8.280 nan 0.000 0.571 533 G N 1.110 110.092 108.800 0.303 0.000 2.395 533 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.292 533 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.292 533 G C -0.316 174.719 174.900 0.226 0.000 0.953 533 G CA 0.409 45.636 45.100 0.211 0.000 1.207 533 G HN 0.203 nan 8.290 nan 0.000 0.503 534 F N -0.653 119.308 119.950 0.019 0.000 2.535 534 F HA 0.845 5.371 4.527 -0.002 0.000 0.367 534 F C 0.598 176.384 175.800 -0.023 0.000 1.096 534 F CA -1.264 56.735 58.000 -0.002 0.000 1.088 534 F CB 1.747 40.704 39.000 -0.073 0.000 1.387 534 F HN 0.061 nan 8.300 nan 0.000 0.494 535 K N 0.725 121.215 120.400 0.151 0.000 2.761 535 K HA 0.429 4.748 4.320 -0.002 0.000 0.257 535 K C -2.051 174.482 176.600 -0.111 0.000 1.053 535 K CA -0.177 56.105 56.287 -0.008 0.000 1.035 535 K CB 0.742 33.224 32.500 -0.029 0.000 1.267 535 K HN 0.288 nan 8.250 nan 0.000 0.505 536 V N 6.776 126.610 119.914 -0.134 0.000 2.434 536 V HA -0.010 4.109 4.120 -0.002 0.000 0.281 536 V C 1.468 177.393 176.094 -0.281 0.000 1.005 536 V CA 0.024 62.215 62.300 -0.182 0.000 1.089 536 V CB -0.160 31.468 31.823 -0.325 0.000 0.978 536 V HN 0.687 nan 8.190 nan 0.000 0.474 537 I N 4.503 124.846 120.570 -0.378 0.000 2.270 537 I HA 0.043 4.212 4.170 -0.002 0.000 0.239 537 I C 0.550 176.355 176.117 -0.520 0.000 1.080 537 I CA 1.308 62.224 61.300 -0.640 0.000 1.383 537 I CB -0.582 36.823 38.000 -0.991 0.000 1.097 537 I HN 0.612 nan 8.210 nan 0.000 0.420 538 Y N 1.513 121.386 120.300 -0.711 0.000 2.350 538 Y HA 0.599 5.148 4.550 -0.002 0.000 0.338 538 Y C -0.194 175.618 175.900 -0.147 0.000 0.961 538 Y CA -1.695 56.048 58.100 -0.595 0.000 1.100 538 Y CB 1.572 39.338 38.460 -1.157 0.000 1.179 538 Y HN -0.035 nan 8.280 nan 0.000 0.454 539 S N 4.158 119.665 115.700 -0.323 0.000 2.600 539 S HA 0.850 5.319 4.470 -0.002 0.000 0.300 539 S C -1.758 172.568 174.600 -0.456 0.000 1.087 539 S CA -0.251 57.749 58.200 -0.333 0.000 0.965 539 S CB 1.160 64.243 63.200 -0.195 0.000 1.089 539 S HN 0.873 nan 8.310 nan 0.000 0.496 540 D N -0.481 119.744 120.400 -0.290 0.000 2.685 540 D HA 0.219 4.858 4.640 -0.002 0.000 0.236 540 D C -0.808 175.451 176.300 -0.068 0.000 1.233 540 D CA -0.620 53.264 54.000 -0.194 0.000 0.760 540 D CB 0.867 41.514 40.800 -0.255 0.000 1.410 540 D HN 0.403 nan 8.370 nan 0.000 0.439 541 T N 1.169 115.700 114.554 -0.038 0.000 2.800 541 T HA 0.239 4.588 4.350 -0.002 0.000 0.283 541 T C 0.753 175.427 174.700 -0.043 0.000 0.999 541 T CA 1.883 63.970 62.100 -0.023 0.000 1.176 541 T CB -0.324 68.534 68.868 -0.017 0.000 0.973 541 T HN 0.857 nan 8.240 nan 0.000 0.519 542 D N 1.606 122.007 120.400 0.002 0.000 2.553 542 D HA -0.116 4.523 4.640 -0.002 0.000 0.178 542 D C 0.093 176.523 176.300 0.217 0.000 0.951 542 D CA 1.630 55.684 54.000 0.089 0.000 1.015 542 D CB -1.446 39.309 40.800 -0.076 0.000 1.069 542 D HN 1.082 nan 8.370 nan 0.000 0.463 543 G N -0.289 108.551 108.800 0.067 0.000 2.623 543 G HA2 0.689 4.648 3.960 -0.002 0.000 0.290 543 G HA3 0.689 4.648 3.960 -0.002 0.000 0.290 543 G C -1.245 173.512 174.900 -0.238 0.000 1.437 543 G CA -0.345 44.567 45.100 -0.313 0.000 0.798 543 G HN 0.761 nan 8.290 nan 0.000 0.488 544 F N -1.912 117.627 119.950 -0.685 0.000 2.703 544 F HA 0.770 5.295 4.527 -0.002 0.000 0.308 544 F C -2.087 173.499 175.800 -0.357 0.000 1.126 544 F CA -2.207 55.573 58.000 -0.366 0.000 0.959 544 F CB 1.035 39.876 39.000 -0.265 0.000 1.297 544 F HN 0.379 nan 8.300 nan 0.000 0.441 545 F N 2.270 122.308 119.950 0.147 0.000 2.410 545 F HA 0.814 5.340 4.527 -0.002 0.000 0.349 545 F C 0.582 176.442 175.800 0.101 0.000 1.117 545 F CA -0.167 57.920 58.000 0.144 0.000 1.104 545 F CB 1.404 40.448 39.000 0.073 0.000 1.122 545 F HN 0.945 nan 8.300 nan 0.000 0.483 546 A N 2.060 125.075 122.820 0.325 0.000 2.470 546 A HA 0.944 5.263 4.320 -0.002 0.000 0.271 546 A C -0.273 177.488 177.584 0.296 0.000 1.269 546 A CA -0.495 51.720 52.037 0.297 0.000 0.828 546 A CB 1.966 21.234 19.000 0.446 0.000 1.374 546 A HN 0.673 nan 8.150 nan 0.000 0.454 547 T N -1.569 113.153 114.554 0.281 0.000 2.678 547 T HA 0.327 4.676 4.350 -0.002 0.000 0.298 547 T C -2.093 172.472 174.700 -0.226 0.000 1.875 547 T CA -0.507 61.625 62.100 0.054 0.000 0.981 547 T CB -0.040 68.921 68.868 0.156 0.000 1.953 547 T HN 0.787 nan 8.240 nan 0.000 0.510 548 I N 2.883 123.290 120.570 -0.271 0.000 2.390 548 I HA 0.351 4.520 4.170 -0.002 0.000 0.283 548 I C -2.329 173.795 176.117 0.012 0.000 1.016 548 I CA -2.276 58.883 61.300 -0.235 0.000 1.151 548 I CB 1.901 39.683 38.000 -0.364 0.000 1.293 548 I HN 0.429 nan 8.210 nan 0.000 0.458 549 P HA -0.084 nan 4.420 nan 0.000 0.257 549 P C 0.574 177.923 177.300 0.082 0.000 1.153 549 P CA 0.767 63.967 63.100 0.167 0.000 0.762 549 P CB 0.238 32.038 31.700 0.167 0.000 0.743 550 G N 2.770 111.616 108.800 0.077 0.000 2.296 550 G HA2 0.046 4.005 3.960 -0.002 0.000 0.263 550 G HA3 0.046 4.005 3.960 -0.002 0.000 0.263 550 G C 0.090 175.018 174.900 0.046 0.000 0.887 550 G CA 0.012 45.142 45.100 0.050 0.000 1.318 550 G HN 0.763 nan 8.290 nan 0.000 0.403 551 A N 1.233 124.089 122.820 0.060 0.000 2.485 551 A HA 0.781 5.099 4.320 -0.002 0.000 0.292 551 A C -0.155 177.474 177.584 0.075 0.000 1.147 551 A CA -0.566 51.499 52.037 0.048 0.000 0.750 551 A CB 1.291 20.299 19.000 0.013 0.000 1.331 551 A HN 0.381 nan 8.150 nan 0.000 0.419 552 D N 1.130 121.568 120.400 0.062 0.000 2.371 552 D HA 0.369 5.008 4.640 -0.002 0.000 0.256 552 D C 1.495 177.853 176.300 0.096 0.000 1.193 552 D CA 0.861 54.901 54.000 0.067 0.000 0.881 552 D CB 1.535 42.359 40.800 0.040 0.000 1.143 552 D HN 0.579 nan 8.370 nan 0.000 0.473 553 A N 4.268 127.164 122.820 0.126 0.000 2.009 553 A HA -0.236 4.083 4.320 -0.002 0.000 0.222 553 A C 1.875 179.413 177.584 -0.076 0.000 1.175 553 A CA 1.480 53.619 52.037 0.171 0.000 0.651 553 A CB -0.118 18.989 19.000 0.179 0.000 0.815 553 A HN 0.604 nan 8.150 nan 0.000 0.459 554 E N -1.060 119.101 120.200 -0.064 0.000 2.127 554 E HA -0.046 4.303 4.350 -0.002 0.000 0.191 554 E C 2.051 178.630 176.600 -0.034 0.000 0.964 554 E CA 1.303 57.636 56.400 -0.111 0.000 0.832 554 E CB -0.370 29.284 29.700 -0.077 0.000 0.790 554 E HN 0.516 nan 8.360 nan 0.000 0.465 555 T N 1.045 115.608 114.554 0.014 0.000 2.759 555 T HA -0.118 4.231 4.350 -0.002 0.000 0.269 555 T C 1.995 176.750 174.700 0.091 0.000 1.042 555 T CA 1.344 63.471 62.100 0.046 0.000 1.140 555 T CB -0.235 68.659 68.868 0.043 0.000 0.864 555 T HN -0.024 nan 8.240 nan 0.000 0.455 556 V N 1.588 121.569 119.914 0.111 0.000 2.287 556 V HA -0.239 3.880 4.120 -0.002 0.000 0.248 556 V C 2.463 178.725 176.094 0.280 0.000 1.053 556 V CA 1.711 64.122 62.300 0.186 0.000 1.027 556 V CB -0.470 31.505 31.823 0.253 0.000 0.646 556 V HN 0.533 nan 8.190 nan 0.000 0.447 557 K N 0.488 120.996 120.400 0.180 0.000 2.009 557 K HA -0.232 4.087 4.320 -0.002 0.000 0.210 557 K C 2.475 179.143 176.600 0.113 0.000 1.049 557 K CA 2.164 58.536 56.287 0.142 0.000 0.929 557 K CB -0.534 31.933 32.500 -0.056 0.000 0.714 557 K HN 0.506 nan 8.250 nan 0.000 0.440 558 K N 1.489 121.933 120.400 0.072 0.000 2.152 558 K HA -0.177 4.141 4.320 -0.002 0.000 0.206 558 K C 2.222 178.912 176.600 0.149 0.000 1.048 558 K CA 2.249 58.579 56.287 0.071 0.000 0.933 558 K CB -1.172 31.357 32.500 0.048 0.000 0.721 558 K HN 0.410 nan 8.250 nan 0.000 0.447 559 K N -0.135 120.404 120.400 0.232 0.000 2.400 559 K HA 0.595 4.914 4.320 -0.002 0.000 0.194 559 K C 2.266 179.137 176.600 0.452 0.000 1.033 559 K CA 1.029 57.533 56.287 0.361 0.000 1.021 559 K CB -0.317 32.422 32.500 0.398 0.000 0.808 559 K HN 0.684 nan 8.250 nan 0.000 0.505 560 A N -0.120 122.938 122.820 0.397 0.000 2.218 560 A HA 0.243 4.562 4.320 -0.002 0.000 0.209 560 A C 1.990 179.701 177.584 0.211 0.000 1.168 560 A CA 0.805 53.048 52.037 0.343 0.000 0.804 560 A CB -0.130 19.145 19.000 0.459 0.000 0.834 560 A HN 0.374 nan 8.150 nan 0.000 0.482 561 M N -0.931 118.761 119.600 0.153 0.000 2.545 561 M HA 0.123 4.602 4.480 -0.002 0.000 0.264 561 M C 1.530 177.878 176.300 0.079 0.000 1.155 561 M CA 0.693 56.032 55.300 0.065 0.000 1.162 561 M CB -1.226 31.375 32.600 0.003 0.000 1.330 561 M HN 0.465 nan 8.290 nan 0.000 0.479 562 E N 0.453 120.753 120.200 0.166 0.000 2.017 562 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 562 E C 1.798 178.489 176.600 0.153 0.000 0.997 562 E CA 1.358 57.893 56.400 0.225 0.000 0.804 562 E CB -0.317 29.637 29.700 0.424 0.000 0.757 562 E HN 0.288 nan 8.360 nan 0.000 0.448 563 F N 1.980 121.806 119.950 -0.205 0.000 2.015 563 F HA -0.309 4.216 4.527 -0.002 0.000 0.297 563 F C 2.011 177.662 175.800 -0.248 0.000 1.141 563 F CA 1.629 59.261 58.000 -0.613 0.000 1.192 563 F CB -0.766 37.761 39.000 -0.789 0.000 0.957 563 F HN -0.055 nan 8.300 nan 0.000 0.491 564 L N 0.312 121.325 121.223 -0.349 0.000 2.017 564 L HA -0.424 3.915 4.340 -0.002 0.000 0.234 564 L C 2.598 179.265 176.870 -0.339 0.000 1.097 564 L CA 2.527 57.123 54.840 -0.406 0.000 0.816 564 L CB -0.951 41.005 42.059 -0.172 0.000 0.914 564 L HN 0.208 nan 8.230 nan 0.000 0.444 565 K N -1.380 118.924 120.400 -0.160 0.000 2.089 565 K HA -0.294 4.025 4.320 -0.002 0.000 0.210 565 K C 2.038 178.598 176.600 -0.067 0.000 1.048 565 K CA 2.152 58.386 56.287 -0.089 0.000 0.926 565 K CB -0.586 31.908 32.500 -0.011 0.000 0.714 565 K HN 0.269 nan 8.250 nan 0.000 0.448 566 Y N 2.461 122.636 120.300 -0.209 0.000 2.070 566 Y HA -0.221 4.328 4.550 -0.002 0.000 0.279 566 Y C 1.957 177.715 175.900 -0.236 0.000 1.134 566 Y CA 1.571 59.571 58.100 -0.167 0.000 1.113 566 Y CB -0.580 37.821 38.460 -0.098 0.000 0.981 566 Y HN 0.026 nan 8.280 nan 0.000 0.487 567 I N -0.307 119.768 120.570 -0.824 0.000 2.614 567 I HA -0.170 3.999 4.170 -0.002 0.000 0.258 567 I C 1.867 177.702 176.117 -0.470 0.000 1.189 567 I CA 1.389 62.202 61.300 -0.812 0.000 1.462 567 I CB -1.134 36.362 38.000 -0.840 0.000 1.092 567 I HN 0.146 nan 8.210 nan 0.000 0.442 568 N N 1.595 120.063 118.700 -0.386 0.000 2.244 568 N HA -0.033 4.706 4.740 -0.002 0.000 0.183 568 N C 1.833 177.231 175.510 -0.187 0.000 1.016 568 N CA 1.615 54.512 53.050 -0.255 0.000 0.866 568 N CB -0.049 38.309 38.487 -0.215 0.000 0.980 568 N HN 0.583 nan 8.380 nan 0.000 0.430 569 A N 0.207 122.929 122.820 -0.164 0.000 2.132 569 A HA 0.027 4.346 4.320 -0.002 0.000 0.213 569 A C 1.987 179.507 177.584 -0.106 0.000 1.154 569 A CA 0.489 52.468 52.037 -0.097 0.000 0.753 569 A CB 0.024 19.005 19.000 -0.030 0.000 0.826 569 A HN 0.129 nan 8.150 nan 0.000 0.469 570 K N -0.416 119.868 120.400 -0.194 0.000 2.393 570 K HA 0.269 4.588 4.320 -0.002 0.000 0.193 570 K C -0.234 176.286 176.600 -0.134 0.000 1.026 570 K CA -0.123 56.055 56.287 -0.182 0.000 1.064 570 K CB -0.046 32.230 32.500 -0.373 0.000 0.833 570 K HN 0.421 nan 8.250 nan 0.000 0.521 571 L N 2.040 123.171 121.223 -0.153 0.000 2.357 571 L HA 0.267 4.606 4.340 -0.002 0.000 0.273 571 L C -1.719 175.074 176.870 -0.130 0.000 1.080 571 L CA -2.193 52.567 54.840 -0.134 0.000 0.803 571 L CB 0.915 42.867 42.059 -0.178 0.000 1.174 571 L HN 0.028 nan 8.230 nan 0.000 0.443 572 P HA -0.080 nan 4.420 nan 0.000 0.259 572 P C 0.727 177.917 177.300 -0.184 0.000 1.353 572 P CA 0.372 63.384 63.100 -0.147 0.000 0.727 572 P CB 0.094 31.681 31.700 -0.189 0.000 1.300 573 G N -0.944 107.714 108.800 -0.236 0.000 2.707 573 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.204 573 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.204 573 G C 1.362 176.137 174.900 -0.209 0.000 1.435 573 G CA 0.982 45.954 45.100 -0.214 0.000 0.890 573 G HN 0.512 nan 8.290 nan 0.000 0.552 574 A N -0.843 121.835 122.820 -0.237 0.000 2.169 574 A HA 0.410 4.729 4.320 -0.002 0.000 0.212 574 A C 0.947 178.406 177.584 -0.209 0.000 1.153 574 A CA -0.066 51.850 52.037 -0.202 0.000 0.756 574 A CB -0.286 18.599 19.000 -0.193 0.000 0.813 574 A HN 0.266 nan 8.150 nan 0.000 0.471 575 L N 1.200 122.258 121.223 -0.276 0.000 2.534 575 L HA 0.128 4.467 4.340 -0.002 0.000 0.271 575 L C 0.502 177.271 176.870 -0.169 0.000 1.178 575 L CA 0.824 55.505 54.840 -0.265 0.000 0.907 575 L CB 0.101 41.884 42.059 -0.459 0.000 1.164 575 L HN 0.375 nan 8.230 nan 0.000 0.482 576 E N 3.822 123.962 120.200 -0.100 0.000 2.274 576 E HA 0.292 4.641 4.350 -0.002 0.000 0.269 576 E C -1.645 174.880 176.600 -0.124 0.000 0.891 576 E CA -0.952 55.378 56.400 -0.117 0.000 0.784 576 E CB 1.702 31.331 29.700 -0.119 0.000 1.225 576 E HN 0.333 nan 8.360 nan 0.000 0.412 577 L N 4.724 125.809 121.223 -0.230 0.000 2.326 577 L HA 0.325 4.664 4.340 -0.002 0.000 0.278 577 L C 0.001 176.678 176.870 -0.322 0.000 1.092 577 L CA 0.252 54.835 54.840 -0.428 0.000 0.810 577 L CB 0.927 42.625 42.059 -0.603 0.000 1.153 577 L HN 0.602 nan 8.230 nan 0.000 0.439 578 E N 3.409 123.417 120.200 -0.318 0.000 2.396 578 E HA 0.297 4.646 4.350 -0.002 0.000 0.251 578 E C -1.533 174.967 176.600 -0.168 0.000 0.949 578 E CA -0.827 55.460 56.400 -0.188 0.000 0.834 578 E CB 1.214 30.836 29.700 -0.130 0.000 1.309 578 E HN 0.487 nan 8.360 nan 0.000 0.405 579 Y N -0.093 120.101 120.300 -0.177 0.000 2.377 579 Y HA 0.239 4.788 4.550 -0.002 0.000 0.339 579 Y C 0.648 176.499 175.900 -0.082 0.000 1.011 579 Y CA -0.390 57.632 58.100 -0.131 0.000 1.093 579 Y CB 1.856 40.278 38.460 -0.064 0.000 1.201 579 Y HN 0.661 nan 8.280 nan 0.000 0.455 580 E N 3.224 123.108 120.200 -0.526 0.000 2.121 580 E HA 0.320 4.669 4.350 -0.002 0.000 0.194 580 E C 0.107 176.543 176.600 -0.273 0.000 0.940 580 E CA 0.845 57.104 56.400 -0.235 0.000 0.884 580 E CB 0.661 30.352 29.700 -0.015 0.000 0.874 580 E HN 0.947 nan 8.360 nan 0.000 0.471 581 G N -0.188 108.302 108.800 -0.517 0.000 2.548 581 G HA2 0.408 4.367 3.960 -0.002 0.000 0.301 581 G HA3 0.408 4.367 3.960 -0.002 0.000 0.301 581 G C -2.022 172.804 174.900 -0.123 0.000 1.349 581 G CA -0.628 44.325 45.100 -0.244 0.000 0.792 581 G HN 0.087 nan 8.290 nan 0.000 0.481 582 F N 0.614 120.434 119.950 -0.216 0.000 2.518 582 F HA 0.790 5.316 4.527 -0.002 0.000 0.323 582 F C -1.633 174.032 175.800 -0.226 0.000 1.129 582 F CA -1.138 56.858 58.000 -0.006 0.000 0.920 582 F CB 1.687 40.781 39.000 0.156 0.000 1.160 582 F HN 0.417 nan 8.300 nan 0.000 0.440 583 Y N 4.189 124.183 120.300 -0.510 0.000 2.446 583 Y HA 0.522 5.071 4.550 -0.002 0.000 0.345 583 Y C 0.930 176.491 175.900 -0.564 0.000 0.984 583 Y CA -0.717 57.200 58.100 -0.305 0.000 1.058 583 Y CB 1.324 39.746 38.460 -0.063 0.000 1.220 583 Y HN 0.641 nan 8.280 nan 0.000 0.455 584 K N 2.082 122.437 120.400 -0.076 0.000 2.103 584 K HA 0.166 4.485 4.320 -0.002 0.000 0.204 584 K C 0.817 177.443 176.600 0.042 0.000 1.052 584 K CA 1.547 57.838 56.287 0.006 0.000 0.945 584 K CB 0.143 32.722 32.500 0.132 0.000 0.722 584 K HN 0.799 nan 8.250 nan 0.000 0.443 585 R N -3.445 117.096 120.500 0.068 0.000 2.781 585 R HA 0.550 4.889 4.340 -0.002 0.000 0.268 585 R C -1.417 174.911 176.300 0.047 0.000 1.047 585 R CA -0.135 56.013 56.100 0.081 0.000 0.925 585 R CB 1.990 32.325 30.300 0.059 0.000 1.246 585 R HN 0.619 nan 8.270 nan 0.000 0.456 586 G N 0.915 109.740 108.800 0.041 0.000 2.322 586 G HA2 0.269 4.228 3.960 -0.002 0.000 0.289 586 G HA3 0.269 4.228 3.960 -0.002 0.000 0.289 586 G C -1.552 173.296 174.900 -0.087 0.000 1.687 586 G CA -0.658 44.377 45.100 -0.108 0.000 0.944 586 G HN 0.521 nan 8.290 nan 0.000 0.718 587 F N 0.013 119.695 119.950 -0.447 0.000 2.579 587 F HA 0.938 5.464 4.527 -0.002 0.000 0.324 587 F C -1.215 174.268 175.800 -0.527 0.000 1.058 587 F CA -1.759 56.098 58.000 -0.237 0.000 0.944 587 F CB 1.697 40.655 39.000 -0.070 0.000 1.245 587 F HN 0.322 nan 8.300 nan 0.000 0.477 588 F N 0.922 120.747 119.950 -0.208 0.000 2.563 588 F HA 0.699 5.225 4.527 -0.002 0.000 0.316 588 F C -0.783 174.839 175.800 -0.296 0.000 1.076 588 F CA -1.403 56.350 58.000 -0.413 0.000 0.921 588 F CB 2.252 41.020 39.000 -0.387 0.000 1.209 588 F HN 0.351 nan 8.300 nan 0.000 0.462 589 V N 1.675 121.481 119.914 -0.180 0.000 2.439 589 V HA 0.519 4.638 4.120 -0.002 0.000 0.277 589 V C -0.744 175.290 176.094 -0.100 0.000 1.008 589 V CA -0.887 61.358 62.300 -0.091 0.000 0.846 589 V CB 0.789 32.569 31.823 -0.072 0.000 1.031 589 V HN 0.948 nan 8.190 nan 0.000 0.441 590 T N 1.968 116.480 114.554 -0.071 0.000 0.541 590 T HA -0.008 4.341 4.350 -0.002 0.000 0.774 590 T C 0.323 174.952 174.700 -0.118 0.000 0.992 590 T CA 0.536 62.600 62.100 -0.059 0.000 4.077 590 T CB -0.505 68.346 68.868 -0.029 0.000 2.303 590 T HN 1.521 nan 8.240 nan 0.000 0.398 591 K N 1.923 122.293 120.400 -0.049 0.000 2.561 591 K HA 0.281 4.600 4.320 -0.002 0.000 0.280 591 K C 1.243 177.817 176.600 -0.043 0.000 0.975 591 K CA 1.047 57.336 56.287 0.004 0.000 1.024 591 K CB -0.147 32.399 32.500 0.076 0.000 0.883 591 K HN 0.962 nan 8.250 nan 0.000 0.496 592 K N -1.883 118.492 120.400 -0.043 0.000 3.580 592 K HA -0.168 4.151 4.320 -0.002 0.000 0.288 592 K C 0.400 176.993 176.600 -0.012 0.000 1.160 592 K CA 2.505 58.790 56.287 -0.004 0.000 1.053 592 K CB -1.999 30.542 32.500 0.067 0.000 1.362 592 K HN 1.326 nan 8.250 nan 0.000 0.436 593 K N 0.885 121.222 120.400 -0.104 0.000 2.299 593 K HA 0.508 4.827 4.320 -0.002 0.000 0.268 593 K C -0.050 176.494 176.600 -0.093 0.000 1.075 593 K CA 0.091 56.350 56.287 -0.047 0.000 0.936 593 K CB -0.222 32.239 32.500 -0.065 0.000 1.228 593 K HN 0.423 nan 8.250 nan 0.000 0.454 594 Y N -1.945 118.110 120.300 -0.408 0.000 2.958 594 Y HA 0.811 5.360 4.550 -0.002 0.000 0.315 594 Y C -0.451 175.102 175.900 -0.578 0.000 1.541 594 Y CA -1.190 56.536 58.100 -0.623 0.000 1.087 594 Y CB 0.676 38.736 38.460 -0.668 0.000 1.593 594 Y HN 0.841 nan 8.280 nan 0.000 0.446 595 A N 0.668 122.946 122.820 -0.904 0.000 2.585 595 A HA 0.605 4.924 4.320 -0.002 0.000 0.299 595 A C -1.560 175.633 177.584 -0.652 0.000 1.047 595 A CA -0.098 51.496 52.037 -0.738 0.000 0.723 595 A CB 0.790 19.566 19.000 -0.374 0.000 1.275 595 A HN 1.964 nan 8.150 nan 0.000 0.408 596 V N -0.696 118.932 119.914 -0.477 0.000 3.202 596 V HA 0.906 5.025 4.120 -0.002 0.000 0.306 596 V C -0.749 175.306 176.094 -0.065 0.000 1.283 596 V CA -0.757 61.360 62.300 -0.305 0.000 1.065 596 V CB 1.874 33.420 31.823 -0.462 0.000 1.079 596 V HN 1.652 nan 8.190 nan 0.000 0.448 597 I N 1.893 122.504 120.570 0.068 0.000 2.478 597 I HA 0.518 4.687 4.170 -0.002 0.000 0.287 597 I C 0.058 176.296 176.117 0.202 0.000 1.042 597 I CA -0.300 61.072 61.300 0.120 0.000 1.067 597 I CB 1.529 39.565 38.000 0.059 0.000 1.233 597 I HN 1.108 nan 8.210 nan 0.000 0.431 598 D N 5.298 125.801 120.400 0.171 0.000 2.169 598 D HA -0.052 4.587 4.640 -0.002 0.000 0.253 598 D C 0.454 176.791 176.300 0.062 0.000 1.257 598 D CA 0.046 54.053 54.000 0.012 0.000 0.976 598 D CB 0.427 41.180 40.800 -0.080 0.000 1.195 598 D HN 0.545 nan 8.370 nan 0.000 0.534 599 E N -1.132 119.114 120.200 0.075 0.000 2.502 599 E HA 0.009 4.358 4.350 -0.002 0.000 0.194 599 E C -0.175 176.471 176.600 0.076 0.000 1.062 599 E CA 0.430 56.907 56.400 0.130 0.000 0.867 599 E CB 0.132 29.937 29.700 0.175 0.000 0.888 599 E HN 0.378 nan 8.360 nan 0.000 0.510 600 E N -0.066 120.163 120.200 0.048 0.000 3.386 600 E HA 0.252 4.601 4.350 -0.002 0.000 0.236 600 E C 0.100 176.717 176.600 0.027 0.000 1.227 600 E CA -0.120 56.300 56.400 0.034 0.000 0.970 600 E CB 1.152 30.866 29.700 0.023 0.000 1.343 600 E HN 0.250 nan 8.360 nan 0.000 0.397 601 G N 2.561 111.379 108.800 0.031 0.000 2.634 601 G HA2 -0.446 3.513 3.960 -0.002 0.000 0.309 601 G HA3 -0.446 3.513 3.960 -0.002 0.000 0.309 601 G C -0.108 174.806 174.900 0.025 0.000 1.265 601 G CA 0.276 45.391 45.100 0.024 0.000 0.998 601 G HN 0.661 nan 8.290 nan 0.000 0.551 602 K N -1.990 118.418 120.400 0.014 0.000 6.527 602 K HA -0.042 4.277 4.320 -0.002 0.000 0.707 602 K C 1.272 177.878 176.600 0.011 0.000 2.023 602 K CA 0.990 57.284 56.287 0.011 0.000 1.629 602 K CB -1.376 31.134 32.500 0.017 0.000 1.835 602 K HN 2.179 nan 8.250 nan 0.000 0.314 603 I N 3.222 123.787 120.570 -0.009 0.000 2.761 603 I HA -0.187 3.982 4.170 -0.002 0.000 0.266 603 I C 2.160 178.248 176.117 -0.048 0.000 1.239 603 I CA 3.305 64.587 61.300 -0.030 0.000 1.451 603 I CB -2.476 35.498 38.000 -0.043 0.000 1.096 603 I HN 1.281 nan 8.210 nan 0.000 0.465 604 T N -0.800 113.745 114.554 -0.014 0.000 13.084 604 T HA -0.262 4.087 4.350 -0.002 0.000 0.413 604 T C 1.770 176.410 174.700 -0.101 0.000 1.448 604 T CA 3.760 65.862 62.100 0.004 0.000 2.331 604 T CB -2.147 66.799 68.868 0.130 0.000 2.773 604 T HN 2.444 nan 8.240 nan 0.000 0.614 605 T N 1.173 115.597 114.554 -0.215 0.000 2.817 605 T HA 0.551 4.900 4.350 -0.002 0.000 0.295 605 T C 0.921 175.371 174.700 -0.415 0.000 0.958 605 T CA 1.258 63.057 62.100 -0.501 0.000 1.157 605 T CB 0.032 68.330 68.868 -0.950 0.000 0.898 605 T HN 0.913 nan 8.240 nan 0.000 0.536 606 R N 2.389 122.687 120.500 -0.337 0.000 2.496 606 R HA 0.239 4.578 4.340 -0.002 0.000 0.369 606 R C 0.976 177.175 176.300 -0.169 0.000 0.896 606 R CA -0.068 55.902 56.100 -0.216 0.000 1.147 606 R CB 0.508 30.733 30.300 -0.125 0.000 1.697 606 R HN 0.698 nan 8.270 nan 0.000 0.518 607 G N 2.347 111.032 108.800 -0.192 0.000 2.563 607 G HA2 0.312 4.271 3.960 -0.002 0.000 0.295 607 G HA3 0.312 4.271 3.960 -0.002 0.000 0.295 607 G C 0.483 175.365 174.900 -0.030 0.000 0.874 607 G CA 0.126 45.192 45.100 -0.056 0.000 1.642 607 G HN 0.302 nan 8.290 nan 0.000 0.483 608 L N -1.531 119.669 121.223 -0.039 0.000 5.787 608 L HA 0.183 4.522 4.340 -0.002 0.000 0.587 608 L C 1.271 178.128 176.870 -0.021 0.000 0.591 608 L CA 1.173 55.995 54.840 -0.030 0.000 2.491 608 L CB -1.306 40.713 42.059 -0.067 0.000 1.936 608 L HN 0.481 nan 8.230 nan 0.000 0.568 609 E N 2.610 122.795 120.200 -0.025 0.000 2.094 609 E HA 0.151 4.500 4.350 -0.002 0.000 0.232 609 E C 1.895 178.493 176.600 -0.003 0.000 1.055 609 E CA 4.033 60.425 56.400 -0.015 0.000 0.923 609 E CB -1.594 28.096 29.700 -0.018 0.000 0.815 609 E HN 2.119 nan 8.360 nan 0.000 0.502 610 I N -2.493 118.077 120.570 -0.000 0.000 8.311 610 I HA 0.336 4.505 4.170 -0.002 0.000 0.126 610 I C 0.760 176.881 176.117 0.007 0.000 1.853 610 I CA 0.768 62.072 61.300 0.007 0.000 2.041 610 I CB -2.380 35.627 38.000 0.011 0.000 3.804 610 I HN 1.796 nan 8.210 nan 0.000 0.170 611 V N 2.964 122.882 119.914 0.007 0.000 6.094 611 V HA 1.145 5.264 4.120 -0.002 0.000 0.284 611 V C 1.424 177.524 176.094 0.010 0.000 1.600 611 V CA 0.682 62.985 62.300 0.006 0.000 0.675 611 V CB 0.479 32.302 31.823 0.000 0.000 1.453 611 V HN 2.699 nan 8.190 nan 0.000 0.402 612 R N -0.872 119.633 120.500 0.009 0.000 2.559 612 R HA 0.684 5.023 4.340 -0.002 0.000 0.448 612 R C 0.946 177.254 176.300 0.013 0.000 0.953 612 R CA 1.304 57.412 56.100 0.014 0.000 1.086 612 R CB -0.753 29.555 30.300 0.014 0.000 1.491 612 R HN 2.661 nan 8.270 nan 0.000 0.597 613 R N -1.336 119.170 120.500 0.010 0.000 3.416 613 R HA 0.005 4.344 4.340 -0.002 0.000 0.263 613 R C 0.281 176.584 176.300 0.006 0.000 1.053 613 R CA 2.627 58.732 56.100 0.009 0.000 0.705 613 R CB -3.064 27.247 30.300 0.018 0.000 1.124 613 R HN 2.406 nan 8.270 nan 0.000 0.444 614 D N -3.840 116.559 120.400 -0.002 0.000 4.142 614 D HA 0.617 5.256 4.640 -0.002 0.000 0.356 614 D C 0.736 177.026 176.300 -0.017 0.000 1.601 614 D CA 0.464 54.459 54.000 -0.009 0.000 0.970 614 D CB -0.570 40.223 40.800 -0.011 0.000 1.490 614 D HN 1.769 nan 8.370 nan 0.000 0.621 615 W N 0.042 121.326 121.300 -0.027 0.000 3.151 615 W HA 0.755 5.414 4.660 -0.002 0.000 0.424 615 W C 1.912 178.409 176.519 -0.036 0.000 1.012 615 W CA 1.482 58.808 57.345 -0.032 0.000 2.018 615 W CB -0.979 28.458 29.460 -0.039 0.000 1.087 615 W HN 2.418 nan 8.180 nan 0.000 0.740 616 S N 0.384 116.066 115.700 -0.030 0.000 4.157 616 S HA -0.051 4.418 4.470 -0.002 0.000 0.538 616 S C 1.059 175.631 174.600 -0.047 0.000 1.820 616 S CA 3.952 62.135 58.200 -0.027 0.000 4.198 616 S CB -1.417 61.773 63.200 -0.017 0.000 0.638 616 S HN 2.162 nan 8.310 nan 0.000 0.457 617 E N -0.713 119.461 120.200 -0.044 0.000 3.625 617 E HA 0.760 5.108 4.350 -0.002 0.000 0.166 617 E C 1.194 177.764 176.600 -0.050 0.000 0.978 617 E CA 1.089 57.454 56.400 -0.059 0.000 1.429 617 E CB -1.220 28.455 29.700 -0.042 0.000 1.100 617 E HN 2.597 nan 8.360 nan 0.000 0.428 618 I N -1.842 118.700 120.570 -0.047 0.000 5.574 618 I HA -0.170 3.999 4.170 -0.002 0.000 0.209 618 I C 1.728 177.828 176.117 -0.027 0.000 1.800 618 I CA 1.969 63.246 61.300 -0.039 0.000 1.734 618 I CB -2.349 35.624 38.000 -0.045 0.000 3.304 618 I HN 1.662 nan 8.210 nan 0.000 0.243 619 A N -0.617 122.190 122.820 -0.023 0.000 2.460 619 A HA 0.674 4.993 4.320 -0.002 0.000 0.258 619 A C 1.952 179.529 177.584 -0.013 0.000 1.300 619 A CA 1.488 53.517 52.037 -0.014 0.000 0.913 619 A CB -0.528 18.467 19.000 -0.009 0.000 1.031 619 A HN 2.179 nan 8.150 nan 0.000 0.512 620 K N -0.731 119.659 120.400 -0.016 0.000 2.186 620 K HA 0.181 4.500 4.320 -0.002 0.000 0.202 620 K C 1.916 178.508 176.600 -0.014 0.000 1.052 620 K CA 1.555 57.834 56.287 -0.014 0.000 0.965 620 K CB -1.164 31.326 32.500 -0.018 0.000 0.746 620 K HN 0.718 nan 8.250 nan 0.000 0.457 621 E N 1.285 121.475 120.200 -0.016 0.000 2.097 621 E HA -0.237 4.112 4.350 -0.002 0.000 0.196 621 E C 2.296 178.886 176.600 -0.015 0.000 1.000 621 E CA 2.538 58.928 56.400 -0.016 0.000 0.804 621 E CB -1.727 27.963 29.700 -0.017 0.000 0.740 621 E HN 0.875 nan 8.360 nan 0.000 0.454 622 T N -1.441 113.104 114.554 -0.014 0.000 2.720 622 T HA -0.300 4.049 4.350 -0.002 0.000 0.268 622 T C 2.247 176.939 174.700 -0.013 0.000 1.037 622 T CA 1.840 63.932 62.100 -0.014 0.000 1.144 622 T CB -0.357 68.505 68.868 -0.010 0.000 0.864 622 T HN 0.592 nan 8.240 nan 0.000 0.444 623 Q N 1.518 121.313 119.800 -0.009 0.000 2.096 623 Q HA -0.080 4.259 4.340 -0.002 0.000 0.204 623 Q C 2.464 178.459 176.000 -0.009 0.000 0.982 623 Q CA 1.905 57.705 55.803 -0.005 0.000 0.850 623 Q CB -0.717 28.020 28.738 -0.003 0.000 0.901 623 Q HN 0.686 nan 8.270 nan 0.000 0.422 624 A N 0.788 123.600 122.820 -0.013 0.000 1.872 624 A HA -0.132 4.187 4.320 -0.002 0.000 0.214 624 A C 2.093 179.665 177.584 -0.020 0.000 1.187 624 A CA 1.095 53.122 52.037 -0.016 0.000 0.614 624 A CB -0.451 18.539 19.000 -0.016 0.000 0.826 624 A HN 0.302 nan 8.150 nan 0.000 0.442 625 R N -0.057 120.431 120.500 -0.021 0.000 2.115 625 R HA -0.172 4.167 4.340 -0.002 0.000 0.239 625 R C 2.139 178.419 176.300 -0.034 0.000 1.133 625 R CA 1.740 57.825 56.100 -0.026 0.000 0.935 625 R CB -1.653 28.633 30.300 -0.024 0.000 0.853 625 R HN 0.425 nan 8.270 nan 0.000 0.433 626 V N 1.688 121.580 119.914 -0.036 0.000 2.255 626 V HA -0.293 3.826 4.120 -0.002 0.000 0.247 626 V C 3.131 179.184 176.094 -0.069 0.000 1.051 626 V CA 2.316 64.585 62.300 -0.052 0.000 1.018 626 V CB -1.496 30.302 31.823 -0.041 0.000 0.641 626 V HN 0.409 nan 8.190 nan 0.000 0.445 627 L N -0.051 121.146 121.223 -0.043 0.000 1.971 627 L HA -0.261 4.078 4.340 -0.002 0.000 0.215 627 L C 2.465 179.305 176.870 -0.050 0.000 1.072 627 L CA 3.054 57.873 54.840 -0.034 0.000 0.758 627 L CB -1.660 40.397 42.059 -0.002 0.000 0.889 627 L HN 0.476 nan 8.230 nan 0.000 0.433 628 E N -0.078 120.100 120.200 -0.037 0.000 2.153 628 E HA -0.098 4.251 4.350 -0.002 0.000 0.194 628 E C 2.505 179.077 176.600 -0.047 0.000 0.988 628 E CA 1.058 57.438 56.400 -0.033 0.000 0.811 628 E CB -0.327 29.358 29.700 -0.024 0.000 0.746 628 E HN 0.783 nan 8.360 nan 0.000 0.466 629 A N 0.786 123.571 122.820 -0.058 0.000 1.972 629 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 629 A C 2.053 179.581 177.584 -0.094 0.000 1.169 629 A CA 1.116 53.113 52.037 -0.067 0.000 0.635 629 A CB -0.295 18.664 19.000 -0.068 0.000 0.810 629 A HN 0.112 nan 8.150 nan 0.000 0.446 630 L N -1.591 119.552 121.223 -0.133 0.000 2.187 630 L HA 0.034 4.373 4.340 -0.002 0.000 0.197 630 L C 3.080 179.864 176.870 -0.143 0.000 1.090 630 L CA 0.802 55.520 54.840 -0.203 0.000 0.781 630 L CB -0.884 40.932 42.059 -0.406 0.000 0.956 630 L HN 0.382 nan 8.230 nan 0.000 0.463 631 L N 0.125 121.288 121.223 -0.100 0.000 1.994 631 L HA -0.190 4.149 4.340 -0.002 0.000 0.208 631 L C 2.543 179.403 176.870 -0.016 0.000 1.071 631 L CA 2.663 57.484 54.840 -0.032 0.000 0.745 631 L CB -1.356 40.704 42.059 0.001 0.000 0.892 631 L HN 0.327 nan 8.230 nan 0.000 0.431 632 K N -1.181 119.208 120.400 -0.019 0.000 1.974 632 K HA -0.195 4.124 4.320 -0.002 0.000 0.211 632 K C 2.089 178.682 176.600 -0.011 0.000 1.039 632 K CA 1.447 57.730 56.287 -0.006 0.000 0.947 632 K CB -0.492 32.004 32.500 -0.007 0.000 0.735 632 K HN 0.568 nan 8.250 nan 0.000 0.441 633 D N -0.291 120.095 120.400 -0.023 0.000 2.221 633 D HA -0.103 4.536 4.640 -0.002 0.000 0.204 633 D C 1.078 177.361 176.300 -0.028 0.000 0.982 633 D CA 1.576 55.562 54.000 -0.024 0.000 0.857 633 D CB -0.240 40.540 40.800 -0.032 0.000 0.934 633 D HN 0.700 nan 8.370 nan 0.000 0.475 634 G N 1.332 110.107 108.800 -0.041 0.000 2.168 634 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.257 634 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.257 634 G C -0.074 174.792 174.900 -0.057 0.000 0.997 634 G CA 0.399 45.472 45.100 -0.046 0.000 0.708 634 G HN 0.381 nan 8.290 nan 0.000 0.520 635 D N 0.113 120.476 120.400 -0.062 0.000 2.232 635 D HA 0.466 5.105 4.640 -0.002 0.000 0.242 635 D C 1.839 178.093 176.300 -0.076 0.000 1.093 635 D CA 0.129 54.094 54.000 -0.059 0.000 0.845 635 D CB 1.844 42.615 40.800 -0.048 0.000 1.124 635 D HN 0.352 nan 8.370 nan 0.000 0.467 636 V N 2.895 122.770 119.914 -0.065 0.000 2.251 636 V HA -0.122 3.997 4.120 -0.002 0.000 0.233 636 V C 1.881 177.950 176.094 -0.041 0.000 1.041 636 V CA 1.015 63.281 62.300 -0.057 0.000 1.000 636 V CB -1.120 30.686 31.823 -0.027 0.000 0.643 636 V HN 0.572 nan 8.190 nan 0.000 0.460 637 E N 0.690 120.874 120.200 -0.028 0.000 2.187 637 E HA -0.307 4.042 4.350 -0.002 0.000 0.199 637 E C 2.227 178.787 176.600 -0.066 0.000 1.004 637 E CA 1.792 58.161 56.400 -0.050 0.000 0.813 637 E CB -0.380 29.292 29.700 -0.047 0.000 0.736 637 E HN 0.701 nan 8.360 nan 0.000 0.468 638 K N 0.808 121.174 120.400 -0.057 0.000 2.160 638 K HA -0.211 4.108 4.320 -0.002 0.000 0.206 638 K C 2.063 178.625 176.600 -0.063 0.000 1.047 638 K CA 1.280 57.533 56.287 -0.056 0.000 0.930 638 K CB -0.097 32.373 32.500 -0.050 0.000 0.720 638 K HN 0.138 nan 8.250 nan 0.000 0.450 639 A N 0.414 123.192 122.820 -0.071 0.000 1.897 639 A HA -0.062 4.257 4.320 -0.002 0.000 0.215 639 A C 2.133 179.675 177.584 -0.070 0.000 1.181 639 A CA 1.464 53.456 52.037 -0.075 0.000 0.620 639 A CB -0.300 18.641 19.000 -0.099 0.000 0.821 639 A HN 0.173 nan 8.150 nan 0.000 0.443 640 V N -0.112 119.750 119.914 -0.086 0.000 2.591 640 V HA -0.159 3.960 4.120 -0.002 0.000 0.249 640 V C 2.426 178.449 176.094 -0.117 0.000 1.053 640 V CA 1.643 63.868 62.300 -0.125 0.000 1.068 640 V CB -0.928 30.738 31.823 -0.262 0.000 0.689 640 V HN 0.466 nan 8.190 nan 0.000 0.462 641 R N 0.140 120.579 120.500 -0.102 0.000 2.096 641 R HA -0.049 4.290 4.340 -0.002 0.000 0.235 641 R C 2.288 178.551 176.300 -0.061 0.000 1.127 641 R CA 1.578 57.629 56.100 -0.082 0.000 0.968 641 R CB -0.472 29.787 30.300 -0.069 0.000 0.861 641 R HN 0.435 nan 8.270 nan 0.000 0.440 642 I N 0.338 120.875 120.570 -0.054 0.000 2.127 642 I HA -0.293 3.876 4.170 -0.002 0.000 0.241 642 I C 2.296 178.391 176.117 -0.037 0.000 1.075 642 I CA 1.363 62.639 61.300 -0.041 0.000 1.334 642 I CB -0.347 37.630 38.000 -0.039 0.000 1.040 642 I HN -0.019 nan 8.210 nan 0.000 0.405 643 V N 1.232 121.122 119.914 -0.040 0.000 2.407 643 V HA -0.308 3.811 4.120 -0.002 0.000 0.248 643 V C 2.972 179.045 176.094 -0.035 0.000 1.055 643 V CA 2.454 64.735 62.300 -0.032 0.000 1.049 643 V CB -1.155 30.649 31.823 -0.031 0.000 0.662 643 V HN 0.557 nan 8.190 nan 0.000 0.455 644 K N -0.381 119.988 120.400 -0.051 0.000 2.280 644 K HA -0.159 4.160 4.320 -0.002 0.000 0.202 644 K C 1.783 178.361 176.600 -0.036 0.000 1.047 644 K CA 1.675 57.931 56.287 -0.051 0.000 0.942 644 K CB -0.472 31.985 32.500 -0.072 0.000 0.739 644 K HN 0.676 nan 8.250 nan 0.000 0.457 645 E N -1.096 119.084 120.200 -0.033 0.000 2.472 645 E HA 0.192 4.541 4.350 -0.002 0.000 0.196 645 E C 2.005 178.596 176.600 -0.014 0.000 1.033 645 E CA 0.562 56.948 56.400 -0.023 0.000 0.886 645 E CB 0.536 30.222 29.700 -0.025 0.000 0.944 645 E HN 0.441 nan 8.360 nan 0.000 0.492 646 V N 0.796 120.701 119.914 -0.014 0.000 2.581 646 V HA -0.101 4.018 4.120 -0.002 0.000 0.240 646 V C 2.339 178.434 176.094 0.003 0.000 1.054 646 V CA 1.807 64.104 62.300 -0.006 0.000 1.076 646 V CB -0.619 31.198 31.823 -0.009 0.000 0.748 646 V HN 0.198 nan 8.190 nan 0.000 0.474 647 T N -3.506 111.047 114.554 -0.001 0.000 3.085 647 T HA -0.031 4.318 4.350 -0.002 0.000 0.263 647 T C 1.481 176.185 174.700 0.007 0.000 1.127 647 T CA 1.136 63.240 62.100 0.006 0.000 1.103 647 T CB 0.195 69.063 68.868 0.001 0.000 0.921 647 T HN 0.516 nan 8.240 nan 0.000 0.510 648 E N 0.638 120.837 120.200 -0.001 0.000 2.474 648 E HA 0.186 4.535 4.350 -0.002 0.000 0.195 648 E C 1.956 178.558 176.600 0.004 0.000 1.039 648 E CA 0.445 56.842 56.400 -0.004 0.000 0.881 648 E CB 0.533 30.224 29.700 -0.014 0.000 0.970 648 E HN 0.777 nan 8.360 nan 0.000 0.486 649 K N -0.328 120.081 120.400 0.014 0.000 2.367 649 K HA 0.257 4.576 4.320 -0.002 0.000 0.198 649 K C 2.157 178.790 176.600 0.055 0.000 1.132 649 K CA 0.741 57.043 56.287 0.025 0.000 0.941 649 K CB -1.160 31.350 32.500 0.016 0.000 1.052 649 K HN 0.079 nan 8.250 nan 0.000 0.507 650 L N 1.892 123.149 121.223 0.056 0.000 2.141 650 L HA -0.021 4.318 4.340 -0.002 0.000 0.209 650 L C 2.753 179.720 176.870 0.161 0.000 1.094 650 L CA 2.858 57.749 54.840 0.085 0.000 0.763 650 L CB -1.631 40.460 42.059 0.054 0.000 0.908 650 L HN 0.719 nan 8.230 nan 0.000 0.437 651 S N -0.181 115.587 115.700 0.113 0.000 2.371 651 S HA -0.052 4.417 4.470 -0.002 0.000 0.224 651 S C 2.103 176.726 174.600 0.038 0.000 1.029 651 S CA 1.376 59.639 58.200 0.104 0.000 0.978 651 S CB -0.751 62.468 63.200 0.031 0.000 0.833 651 S HN 0.963 nan 8.310 nan 0.000 0.466 652 K N 0.383 120.795 120.400 0.020 0.000 2.546 652 K HA 0.268 4.587 4.320 -0.002 0.000 0.198 652 K C 0.337 176.977 176.600 0.066 0.000 1.028 652 K CA -0.126 56.130 56.287 -0.052 0.000 1.150 652 K CB -1.990 30.494 32.500 -0.026 0.000 0.876 652 K HN 0.701 nan 8.250 nan 0.000 0.508 653 Y N -0.467 119.833 120.300 -0.000 0.000 3.305 653 Y HA -0.316 4.233 4.550 -0.002 0.000 0.212 653 Y C 0.948 176.848 175.900 -0.001 0.000 1.248 653 Y CA 0.402 58.503 58.100 0.001 0.000 1.359 653 Y CB -1.739 36.722 38.460 0.003 0.000 1.407 653 Y HN 0.614 nan 8.280 nan 0.000 0.572 654 E N -0.153 120.132 120.200 0.142 0.000 2.460 654 E HA 0.080 4.429 4.350 -0.002 0.000 0.200 654 E C 0.742 177.370 176.600 0.046 0.000 1.011 654 E CA 0.119 56.563 56.400 0.074 0.000 0.912 654 E CB 0.942 30.671 29.700 0.047 0.000 0.953 654 E HN 0.201 nan 8.360 nan 0.000 0.494 655 V N 3.096 123.038 119.914 0.045 0.000 2.530 655 V HA 0.170 4.289 4.120 -0.002 0.000 0.282 655 V C -2.333 173.760 176.094 -0.002 0.000 1.048 655 V CA -1.983 60.327 62.300 0.017 0.000 0.997 655 V CB 0.862 32.693 31.823 0.014 0.000 0.987 655 V HN -0.045 nan 8.190 nan 0.000 0.477 656 P HA 0.146 nan 4.420 nan 0.000 0.266 656 P C -2.041 175.242 177.300 -0.030 0.000 1.193 656 P CA -0.858 62.233 63.100 -0.016 0.000 0.770 656 P CB 0.050 31.741 31.700 -0.015 0.000 0.836 657 P HA -0.164 nan 4.420 nan 0.000 0.219 657 P C 0.973 178.249 177.300 -0.039 0.000 1.150 657 P CA 1.444 64.517 63.100 -0.045 0.000 0.814 657 P CB 0.139 31.814 31.700 -0.041 0.000 0.787 658 E N 0.914 121.093 120.200 -0.035 0.000 2.152 658 E HA -0.117 4.232 4.350 -0.002 0.000 0.192 658 E C 1.659 178.232 176.600 -0.045 0.000 0.983 658 E CA 1.195 57.571 56.400 -0.040 0.000 0.818 658 E CB -1.387 28.290 29.700 -0.037 0.000 0.758 658 E HN 0.206 nan 8.360 nan 0.000 0.467 659 K N 1.318 121.695 120.400 -0.038 0.000 2.706 659 K HA 0.446 4.765 4.320 -0.002 0.000 0.217 659 K C 1.396 177.972 176.600 -0.039 0.000 1.019 659 K CA 0.883 57.148 56.287 -0.037 0.000 1.181 659 K CB -1.053 31.431 32.500 -0.027 0.000 0.940 659 K HN 0.315 nan 8.250 nan 0.000 0.491 660 L N -2.495 118.699 121.223 -0.048 0.000 3.515 660 L HA 0.697 5.036 4.340 -0.002 0.000 0.322 660 L C 0.950 177.778 176.870 -0.069 0.000 1.225 660 L CA 0.390 55.201 54.840 -0.048 0.000 1.104 660 L CB -0.847 41.189 42.059 -0.039 0.000 1.506 660 L HN 0.448 nan 8.230 nan 0.000 0.624 661 V N 0.484 120.345 119.914 -0.088 0.000 2.583 661 V HA 0.627 4.746 4.120 -0.002 0.000 0.287 661 V C 0.403 176.366 176.094 -0.218 0.000 1.051 661 V CA -0.237 61.980 62.300 -0.139 0.000 1.010 661 V CB 0.821 32.579 31.823 -0.109 0.000 0.988 661 V HN 0.387 nan 8.190 nan 0.000 0.478 662 I N 5.260 125.580 120.570 -0.417 0.000 2.317 662 I HA 0.294 4.463 4.170 -0.002 0.000 0.286 662 I C 1.002 176.841 176.117 -0.462 0.000 1.119 662 I CA -0.235 60.790 61.300 -0.458 0.000 1.228 662 I CB -0.088 37.568 38.000 -0.573 0.000 1.476 662 I HN 0.883 nan 8.210 nan 0.000 0.514 663 H N 3.728 122.649 119.070 -0.247 0.000 3.216 663 H HA 0.644 5.199 4.556 -0.002 0.000 0.263 663 H C 0.252 175.520 175.328 -0.100 0.000 1.601 663 H CA 0.233 56.187 56.048 -0.157 0.000 1.509 663 H CB -0.380 29.314 29.762 -0.114 0.000 1.759 663 H HN 0.746 nan 8.280 nan 0.000 0.533 664 E N 0.629 120.781 120.200 -0.081 0.000 2.235 664 E HA 0.764 5.113 4.350 -0.002 0.000 0.265 664 E C -0.013 176.601 176.600 0.023 0.000 0.940 664 E CA -0.407 55.982 56.400 -0.018 0.000 0.819 664 E CB 0.875 30.575 29.700 -0.000 0.000 1.206 664 E HN 1.379 nan 8.360 nan 0.000 0.409 665 Q N -0.770 119.048 119.800 0.029 0.000 2.309 665 Q HA 0.819 5.158 4.340 -0.002 0.000 0.264 665 Q C 0.516 176.536 176.000 0.033 0.000 1.008 665 Q CA -0.174 55.648 55.803 0.031 0.000 0.853 665 Q CB 0.757 29.518 28.738 0.040 0.000 1.314 665 Q HN 2.052 nan 8.270 nan 0.000 0.448 679 H N -1.148 117.902 119.070 -0.033 0.000 2.482 679 H HA 0.413 4.968 4.556 -0.002 0.000 0.286 679 H C 2.015 177.289 175.328 -0.091 0.000 1.017 679 H CA 2.444 58.471 56.048 -0.035 0.000 1.322 679 H CB -0.377 29.446 29.762 0.102 0.000 1.426 679 H HN 0.475 nan 8.280 nan 0.000 0.546 680 V N 0.796 120.671 119.914 -0.064 0.000 2.667 680 V HA 0.254 4.373 4.120 -0.002 0.000 0.252 680 V C 2.825 178.867 176.094 -0.086 0.000 1.065 680 V CA 2.025 64.291 62.300 -0.057 0.000 1.083 680 V CB -1.359 30.444 31.823 -0.032 0.000 0.692 680 V HN 0.836 nan 8.190 nan 0.000 0.468 681 A N -0.446 122.303 122.820 -0.118 0.000 2.076 681 A HA 0.001 4.320 4.320 -0.002 0.000 0.220 681 A C 2.070 179.568 177.584 -0.143 0.000 1.160 681 A CA 2.320 54.284 52.037 -0.123 0.000 0.653 681 A CB -0.307 18.610 19.000 -0.139 0.000 0.801 681 A HN 0.794 nan 8.150 nan 0.000 0.455 682 V N -2.372 117.429 119.914 -0.189 0.000 3.548 682 V HA 0.269 4.388 4.120 -0.002 0.000 0.279 682 V C 1.718 177.754 176.094 -0.098 0.000 1.446 682 V CA 0.507 62.710 62.300 -0.161 0.000 1.023 682 V CB 0.073 31.747 31.823 -0.248 0.000 0.820 682 V HN 0.457 nan 8.190 nan 0.000 0.438 683 A N 0.508 123.277 122.820 -0.085 0.000 2.416 683 A HA 0.477 4.796 4.320 -0.002 0.000 0.252 683 A C 1.591 179.149 177.584 -0.043 0.000 1.353 683 A CA 0.982 52.992 52.037 -0.045 0.000 0.996 683 A CB -0.689 18.293 19.000 -0.029 0.000 0.961 683 A HN 0.467 nan 8.150 nan 0.000 0.523 684 K N -1.393 118.977 120.400 -0.051 0.000 2.450 684 K HA 0.399 4.718 4.320 -0.002 0.000 0.206 684 K C 1.907 178.480 176.600 -0.045 0.000 1.148 684 K CA 0.995 57.256 56.287 -0.043 0.000 1.014 684 K CB -0.510 31.965 32.500 -0.042 0.000 0.966 684 K HN 0.612 nan 8.250 nan 0.000 0.566 685 R N 0.162 120.629 120.500 -0.055 0.000 2.074 685 R HA 0.504 4.843 4.340 -0.002 0.000 0.218 685 R C 2.809 179.065 176.300 -0.074 0.000 1.137 685 R CA 1.334 57.398 56.100 -0.061 0.000 0.998 685 R CB -1.649 28.610 30.300 -0.067 0.000 0.895 685 R HN 0.830 nan 8.270 nan 0.000 0.442 686 L N 0.811 121.981 121.223 -0.088 0.000 2.351 686 L HA 0.389 4.728 4.340 -0.002 0.000 0.220 686 L C 2.467 179.292 176.870 -0.074 0.000 1.127 686 L CA 2.386 57.161 54.840 -0.108 0.000 0.786 686 L CB -1.910 40.083 42.059 -0.110 0.000 0.914 686 L HN 0.859 nan 8.230 nan 0.000 0.443 687 A N -0.738 122.049 122.820 -0.054 0.000 3.951 687 A HA 0.766 5.085 4.320 -0.002 0.000 0.167 687 A C 1.300 178.862 177.584 -0.037 0.000 1.664 687 A CA 0.765 52.779 52.037 -0.039 0.000 1.093 687 A CB -0.807 18.175 19.000 -0.030 0.000 1.149 687 A HN 1.703 nan 8.150 nan 0.000 0.424 698 V N 0.468 120.387 119.914 0.008 0.000 3.535 698 V HA 0.767 4.886 4.120 -0.002 0.000 0.439 698 V C -0.033 176.090 176.094 0.049 0.000 1.462 698 V CA -0.042 62.273 62.300 0.025 0.000 1.966 698 V CB -0.134 31.699 31.823 0.017 0.000 1.026 698 V HN 1.132 nan 8.190 nan 0.000 0.579 699 I N 0.427 121.055 120.570 0.098 0.000 2.354 699 I HA 0.975 5.144 4.170 -0.002 0.000 0.292 699 I C 0.526 176.735 176.117 0.153 0.000 0.989 699 I CA -0.166 61.244 61.300 0.184 0.000 1.188 699 I CB 0.895 39.056 38.000 0.269 0.000 1.342 699 I HN 1.181 nan 8.210 nan 0.000 0.457 700 S N 3.571 119.320 115.700 0.082 0.000 2.585 700 S HA 0.896 5.365 4.470 -0.002 0.000 0.277 700 S C -0.415 174.263 174.600 0.131 0.000 1.241 700 S CA -0.227 57.963 58.200 -0.017 0.000 1.041 700 S CB 0.524 63.656 63.200 -0.114 0.000 0.987 700 S HN 1.789 nan 8.310 nan 0.000 0.512 701 Y N -2.209 118.120 120.300 0.047 0.000 2.677 701 Y HA 0.798 5.347 4.550 -0.002 0.000 0.334 701 Y C -0.523 175.391 175.900 0.023 0.000 1.154 701 Y CA -1.718 56.413 58.100 0.053 0.000 1.070 701 Y CB 0.728 39.217 38.460 0.050 0.000 1.294 701 Y HN 0.823 nan 8.280 nan 0.000 0.475 702 I N 1.042 121.791 120.570 0.298 0.000 2.448 702 I HA 0.817 4.986 4.170 -0.002 0.000 0.281 702 I C 0.091 176.323 176.117 0.193 0.000 1.027 702 I CA -1.088 60.311 61.300 0.165 0.000 1.111 702 I CB 0.404 38.444 38.000 0.067 0.000 1.236 702 I HN 1.229 nan 8.210 nan 0.000 0.452 703 V N 4.356 124.403 119.914 0.222 0.000 2.475 703 V HA 0.640 4.759 4.120 -0.002 0.000 0.292 703 V C 0.491 176.622 176.094 0.061 0.000 1.003 703 V CA 1.269 63.657 62.300 0.146 0.000 1.120 703 V CB 0.040 31.952 31.823 0.148 0.000 0.937 703 V HN 2.341 nan 8.190 nan 0.000 0.476 714 A N -0.138 122.682 122.820 0.000 0.000 2.387 714 A HA 0.964 5.283 4.320 -0.002 0.000 0.298 714 A C 0.516 178.149 177.584 0.081 0.000 1.165 714 A CA 0.004 52.049 52.037 0.013 0.000 0.814 714 A CB 1.033 20.045 19.000 0.019 0.000 1.357 714 A HN 1.845 nan 8.150 nan 0.000 0.443 715 I N -0.411 120.200 120.570 0.069 0.000 2.308 715 I HA 0.646 4.815 4.170 -0.002 0.000 0.293 715 I C -1.529 174.709 176.117 0.203 0.000 1.078 715 I CA -1.170 60.214 61.300 0.141 0.000 1.292 715 I CB -0.051 37.950 38.000 0.002 0.000 1.423 715 I HN 0.728 nan 8.210 nan 0.000 0.493 716 P HA 0.578 nan 4.420 nan 0.000 0.226 716 P C 0.179 177.634 177.300 0.260 0.000 1.832 716 P CA 0.050 63.272 63.100 0.202 0.000 1.092 716 P CB -0.320 31.449 31.700 0.115 0.000 1.873 717 F N 0.724 120.684 119.950 0.016 0.000 2.403 717 F HA 0.287 4.813 4.527 -0.002 0.000 0.263 717 F C 2.113 177.915 175.800 0.004 0.000 1.020 717 F CA 2.408 60.413 58.000 0.009 0.000 1.091 717 F CB 0.036 39.042 39.000 0.010 0.000 1.141 717 F HN 0.305 nan 8.300 nan 0.000 0.633 718 D N -0.797 119.747 120.400 0.240 0.000 2.563 718 D HA 0.523 5.162 4.640 -0.002 0.000 0.256 718 D C 0.134 176.487 176.300 0.088 0.000 1.400 718 D CA 0.774 54.846 54.000 0.119 0.000 0.800 718 D CB -0.410 40.455 40.800 0.109 0.000 1.145 718 D HN 0.372 nan 8.370 nan 0.000 0.501 719 E N -3.037 117.224 120.200 0.101 0.000 2.392 719 E HA 0.799 5.148 4.350 -0.002 0.000 0.269 719 E C 0.762 177.396 176.600 0.057 0.000 0.924 719 E CA -0.399 56.036 56.400 0.058 0.000 0.784 719 E CB 0.671 30.392 29.700 0.035 0.000 1.292 719 E HN 1.835 nan 8.360 nan 0.000 0.447 720 F N -2.182 117.788 119.950 0.034 0.000 2.884 720 F HA 0.121 4.647 4.527 -0.002 0.000 0.294 720 F C 0.433 176.247 175.800 0.023 0.000 0.723 720 F CA 1.683 59.700 58.000 0.027 0.000 1.294 720 F CB -2.065 36.957 39.000 0.037 0.000 1.551 720 F HN 1.898 nan 8.300 nan 0.000 0.363 721 D N -1.681 118.732 120.400 0.022 0.000 2.362 721 D HA 0.820 5.459 4.640 -0.002 0.000 0.232 721 D C -1.544 174.762 176.300 0.010 0.000 1.329 721 D CA 0.323 54.329 54.000 0.011 0.000 0.944 721 D CB 0.873 41.681 40.800 0.014 0.000 1.471 721 D HN 1.550 nan 8.370 nan 0.000 0.533 722 P HA 0.713 nan 4.420 nan 0.000 0.346 722 P C 1.278 178.580 177.300 0.004 0.000 1.293 722 P CA 2.029 65.133 63.100 0.007 0.000 1.233 722 P CB 0.530 32.236 31.700 0.010 0.000 1.622 723 T N -2.123 112.431 114.554 -0.000 0.000 8.285 723 T HA -0.234 4.115 4.350 -0.002 0.000 0.317 723 T C 1.673 176.380 174.700 0.011 0.000 2.029 723 T CA 3.019 65.120 62.100 0.002 0.000 3.092 723 T CB -2.681 66.189 68.868 0.003 0.000 2.254 723 T HN 0.792 nan 8.240 nan 0.000 1.172 724 K N -0.549 119.857 120.400 0.010 0.000 2.155 724 K HA 0.452 4.771 4.320 -0.002 0.000 0.203 724 K C 1.534 178.144 176.600 0.017 0.000 1.052 724 K CA 2.431 58.726 56.287 0.013 0.000 0.948 724 K CB -0.784 31.723 32.500 0.011 0.000 0.728 724 K HN 2.561 nan 8.250 nan 0.000 0.448 725 H N -0.197 118.882 119.070 0.016 0.000 3.410 725 H HA 0.506 5.061 4.556 -0.002 0.000 0.245 725 H C -0.426 174.911 175.328 0.015 0.000 1.269 725 H CA -0.701 55.360 56.048 0.022 0.000 1.402 725 H CB -0.159 29.615 29.762 0.020 0.000 2.429 725 H HN 0.162 nan 8.280 nan 0.000 0.604 726 K N -0.087 120.316 120.400 0.006 0.000 2.280 726 K HA 0.889 5.208 4.320 -0.002 0.000 0.234 726 K C -0.540 176.028 176.600 -0.053 0.000 1.028 726 K CA -0.153 56.120 56.287 -0.024 0.000 0.882 726 K CB 1.612 34.086 32.500 -0.044 0.000 1.194 726 K HN 1.058 nan 8.250 nan 0.000 0.458 727 Y N -1.143 119.089 120.300 -0.112 0.000 2.313 727 Y HA 0.400 4.949 4.550 -0.002 0.000 0.320 727 Y C 0.378 176.126 175.900 -0.253 0.000 1.171 727 Y CA -0.670 57.303 58.100 -0.211 0.000 1.093 727 Y CB -0.381 38.082 38.460 0.005 0.000 1.224 727 Y HN 0.688 nan 8.280 nan 0.000 0.421 728 D N 1.250 121.359 120.400 -0.485 0.000 1.536 728 D HA 0.841 5.480 4.640 -0.002 0.000 0.316 728 D C 0.983 177.221 176.300 -0.104 0.000 1.120 728 D CA 1.604 55.444 54.000 -0.266 0.000 0.929 728 D CB -0.123 40.494 40.800 -0.305 0.000 1.553 728 D HN 2.491 nan 8.370 nan 0.000 0.511 729 A N -4.398 118.403 122.820 -0.032 0.000 2.489 729 A HA 0.613 4.932 4.320 -0.002 0.000 0.293 729 A C 0.311 177.935 177.584 0.067 0.000 1.004 729 A CA 0.936 52.999 52.037 0.044 0.000 0.626 729 A CB 0.267 19.288 19.000 0.033 0.000 1.345 729 A HN 1.206 nan 8.150 nan 0.000 0.447 730 E N -1.175 119.068 120.200 0.071 0.000 2.463 730 E HA 0.366 4.715 4.350 -0.002 0.000 0.193 730 E C 1.417 178.045 176.600 0.047 0.000 1.041 730 E CA 1.126 57.563 56.400 0.063 0.000 0.879 730 E CB -1.103 28.633 29.700 0.061 0.000 0.997 730 E HN 2.056 nan 8.360 nan 0.000 0.478 731 Y N -2.220 118.107 120.300 0.045 0.000 2.632 731 Y HA 0.277 4.826 4.550 -0.002 0.000 0.301 731 Y C 2.139 178.064 175.900 0.041 0.000 1.172 731 Y CA 1.516 59.642 58.100 0.043 0.000 1.328 731 Y CB -1.248 37.241 38.460 0.048 0.000 1.016 731 Y HN 0.834 nan 8.280 nan 0.000 0.529 732 Y N -2.315 118.007 120.300 0.036 0.000 2.638 732 Y HA 0.318 4.867 4.550 -0.002 0.000 0.275 732 Y C 2.450 178.365 175.900 0.025 0.000 1.122 732 Y CA 0.889 59.006 58.100 0.028 0.000 1.266 732 Y CB -0.528 37.944 38.460 0.020 0.000 1.317 732 Y HN 0.520 nan 8.280 nan 0.000 0.501 733 I N 1.422 122.010 120.570 0.030 0.000 2.072 733 I HA 0.179 4.348 4.170 -0.002 0.000 0.235 733 I C 1.668 177.799 176.117 0.024 0.000 1.058 733 I CA 2.515 63.831 61.300 0.028 0.000 1.320 733 I CB -1.443 36.578 38.000 0.036 0.000 1.047 733 I HN 0.735 nan 8.210 nan 0.000 0.397 734 E N 0.890 121.106 120.200 0.026 0.000 2.464 734 E HA 0.554 4.903 4.350 -0.002 0.000 0.260 734 E C 0.297 176.912 176.600 0.026 0.000 1.318 734 E CA 0.691 57.105 56.400 0.024 0.000 1.571 734 E CB -1.238 28.476 29.700 0.023 0.000 1.525 734 E HN 1.602 nan 8.360 nan 0.000 0.449 735 N N -0.677 118.038 118.700 0.026 0.000 2.004 735 N HA -0.063 4.676 4.740 -0.002 0.000 0.282 735 N C 1.309 176.834 175.510 0.026 0.000 1.294 735 N CA 0.651 53.717 53.050 0.027 0.000 0.738 735 N CB -0.102 38.404 38.487 0.031 0.000 1.528 735 N HN 0.150 nan 8.380 nan 0.000 0.642 736 Q N -0.664 119.149 119.800 0.022 0.000 2.459 736 Q HA 0.296 4.635 4.340 -0.002 0.000 0.260 736 Q C 1.561 177.568 176.000 0.013 0.000 0.828 736 Q CA 1.245 57.059 55.803 0.017 0.000 0.987 736 Q CB 1.161 29.908 28.738 0.015 0.000 1.216 736 Q HN 0.431 nan 8.270 nan 0.000 0.558 737 V N 1.011 120.933 119.914 0.013 0.000 2.575 737 V HA -0.070 4.049 4.120 -0.002 0.000 0.242 737 V C 2.832 178.934 176.094 0.013 0.000 1.045 737 V CA 1.478 63.784 62.300 0.009 0.000 1.065 737 V CB -1.141 30.686 31.823 0.007 0.000 0.717 737 V HN 0.314 nan 8.190 nan 0.000 0.467 738 L N 0.093 121.326 121.223 0.016 0.000 1.994 738 L HA 0.007 4.346 4.340 -0.002 0.000 0.208 738 L C 0.889 177.774 176.870 0.024 0.000 1.071 738 L CA 2.971 57.823 54.840 0.020 0.000 0.745 738 L CB -3.022 39.050 42.059 0.021 0.000 0.892 738 L HN 0.375 nan 8.230 nan 0.000 0.431 739 P HA -0.075 nan 4.420 nan 0.000 0.223 739 P C 1.720 179.035 177.300 0.025 0.000 1.144 739 P CA 1.651 64.766 63.100 0.025 0.000 0.783 739 P CB -0.052 31.663 31.700 0.024 0.000 0.771 740 A N -0.796 122.036 122.820 0.021 0.000 1.911 740 A HA 0.121 4.440 4.320 -0.002 0.000 0.212 740 A C 2.345 179.945 177.584 0.025 0.000 1.189 740 A CA 1.558 53.607 52.037 0.019 0.000 0.639 740 A CB -1.590 17.418 19.000 0.012 0.000 0.839 740 A HN 0.126 nan 8.150 nan 0.000 0.449 741 V N -0.567 119.362 119.914 0.025 0.000 2.446 741 V HA 0.092 4.210 4.120 -0.002 0.000 0.244 741 V C 2.410 178.533 176.094 0.048 0.000 1.039 741 V CA 2.792 65.110 62.300 0.031 0.000 1.045 741 V CB -1.686 30.148 31.823 0.019 0.000 0.681 741 V HN 0.600 nan 8.190 nan 0.000 0.459 742 E N 0.493 120.721 120.200 0.047 0.000 2.170 742 E HA -0.476 3.873 4.350 -0.002 0.000 0.229 742 E C 2.424 179.065 176.600 0.068 0.000 1.074 742 E CA 4.829 61.264 56.400 0.058 0.000 0.930 742 E CB -1.485 28.243 29.700 0.047 0.000 0.806 742 E HN 1.117 nan 8.360 nan 0.000 0.478 743 R N -0.293 120.243 120.500 0.060 0.000 2.122 743 R HA 0.035 4.374 4.340 -0.002 0.000 0.236 743 R C 3.074 179.436 176.300 0.103 0.000 1.129 743 R CA 3.975 60.114 56.100 0.065 0.000 0.925 743 R CB -1.987 28.341 30.300 0.047 0.000 0.850 743 R HN 1.486 nan 8.270 nan 0.000 0.431 744 I N 1.154 121.797 120.570 0.122 0.000 2.194 744 I HA 0.167 4.336 4.170 -0.002 0.000 0.246 744 I C 1.888 178.124 176.117 0.198 0.000 1.093 744 I CA 1.543 62.974 61.300 0.218 0.000 1.355 744 I CB -1.307 36.794 38.000 0.169 0.000 1.046 744 I HN 0.452 nan 8.210 nan 0.000 0.413 745 L N 2.767 124.058 121.223 0.113 0.000 2.699 745 L HA 0.303 4.642 4.340 -0.002 0.000 0.283 745 L C 0.476 177.410 176.870 0.108 0.000 1.166 745 L CA 0.268 55.174 54.840 0.110 0.000 1.043 745 L CB -0.841 41.305 42.059 0.146 0.000 1.369 745 L HN 0.541 nan 8.230 nan 0.000 0.462 750 Y N -0.258 120.048 120.300 0.011 0.000 2.914 750 Y HA 0.894 5.443 4.550 -0.002 0.000 0.315 750 Y C 0.707 176.614 175.900 0.011 0.000 1.345 750 Y CA -0.629 57.475 58.100 0.007 0.000 1.121 750 Y CB 0.638 39.098 38.460 -0.001 0.000 1.363 750 Y HN 0.497 nan 8.280 nan 0.000 0.566 751 R N -0.028 120.594 120.500 0.204 0.000 2.832 751 R HA 0.679 5.018 4.340 -0.002 0.000 0.271 751 R C 0.806 177.159 176.300 0.087 0.000 0.996 751 R CA -0.329 55.837 56.100 0.110 0.000 0.977 751 R CB -0.191 30.155 30.300 0.077 0.000 1.168 751 R HN 0.837 nan 8.270 nan 0.000 0.482 752 K N 0.289 120.725 120.400 0.060 0.000 2.089 752 K HA -0.201 4.118 4.320 -0.002 0.000 0.210 752 K C 2.380 178.997 176.600 0.029 0.000 1.048 752 K CA 2.917 59.229 56.287 0.041 0.000 0.926 752 K CB -1.475 31.045 32.500 0.034 0.000 0.714 752 K HN 1.205 nan 8.250 nan 0.000 0.448 753 E N 0.242 120.460 120.200 0.031 0.000 2.160 753 E HA -0.138 4.211 4.350 -0.002 0.000 0.195 753 E C 2.131 178.737 176.600 0.011 0.000 0.991 753 E CA 1.898 58.310 56.400 0.020 0.000 0.810 753 E CB -1.727 27.987 29.700 0.024 0.000 0.742 753 E HN 0.900 nan 8.360 nan 0.000 0.466 754 D N -1.062 119.352 120.400 0.023 0.000 2.350 754 D HA 0.321 4.960 4.640 -0.002 0.000 0.216 754 D C 1.974 178.234 176.300 -0.067 0.000 0.968 754 D CA 2.228 56.223 54.000 -0.009 0.000 0.894 754 D CB -0.553 40.275 40.800 0.046 0.000 0.909 754 D HN 0.885 nan 8.370 nan 0.000 0.520 755 L N -1.272 119.929 121.223 -0.037 0.000 2.577 755 L HA 0.379 4.718 4.340 -0.002 0.000 0.225 755 L C 2.574 179.425 176.870 -0.031 0.000 1.053 755 L CA 0.867 55.676 54.840 -0.050 0.000 0.866 755 L CB -0.924 41.116 42.059 -0.031 0.000 1.132 755 L HN 0.257 nan 8.230 nan 0.000 0.486 756 R N -1.006 119.486 120.500 -0.013 0.000 2.083 756 R HA -0.093 4.246 4.340 -0.002 0.000 0.237 756 R C 1.665 177.958 176.300 -0.012 0.000 1.137 756 R CA 1.931 58.027 56.100 -0.007 0.000 0.951 756 R CB -1.072 29.229 30.300 0.002 0.000 0.851 756 R HN 1.346 nan 8.270 nan 0.000 0.434 757 Y N -0.618 119.672 120.300 -0.016 0.000 3.396 757 Y HA -0.218 4.331 4.550 -0.002 0.000 0.214 757 Y C 0.803 176.695 175.900 -0.014 0.000 1.203 757 Y CA 1.834 59.922 58.100 -0.019 0.000 1.401 757 Y CB -3.234 35.209 38.460 -0.029 0.000 1.409 757 Y HN 0.855 nan 8.280 nan 0.000 0.594 758 Q N 0.000 119.795 119.800 -0.009 0.000 2.315 758 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 758 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 758 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 758 Q HN 0.000 nan 8.270 nan 0.000 0.481