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 2pgo_1_A DATA FIRST_RESID 2 DATA SEQUENCE AIKRGADLIV EALEEYGTEQ VVGFIGHTSH FVADAFSKSH LGKRVINPAT DATA SEQUENCE ELGGAWMVNG YNYVKDRSAA VGAWHCVGNL LLHAAMQEAR TGRIPAVHIG DATA SEQUENCE LNSDGRLAGR SEAAQQVPWQ SFTPIARSTQ RVERLDKVGE AIHEAFRVAE DATA SEQUENCE GHPAGPAYVD IPFDLTADQI DDKALVPRGA TRAKSVLHAP NEDVREAAAQ DATA SEQUENCE LVAAKNPVIL AGGGVARSGG SEALLKLAEM VGVPVVTTST GAGVFPETHA DATA SEQUENCE LAMGSAGFCG WKSANDMMAA ADFVLVLGSR LSDWGIAQGY ITKMPKFVHV DATA SEQUENCE DTDPAVLGTF YFPLLSVVAD AKTFMEQLIE VLPGTSGFKA VRYQERENFR DATA SEQUENCE QATEFRAAWD GWVREQESGD GMPASMFRAM AEVRKVQRPE DIIVTDIGNH DATA SEQUENCE TLPMFGGAIL QRPRRLVTSM AEGILGCGFP MALGAQLAEP NSRVFLGTGD DATA SEQUENCE GALYYHFNEF RVAVEHKLPV ITMVFTNESY GANWTLMNHQ FGQNNWTEFM DATA SEQUENCE NPDWVGIAKA FGAYGESVRE TGDIAGALQR AIDSGKPALI EIPVSKTQGL DATA SEQUENCE ASDPVGGVGP NLLLKGREIP VDTGGSMYPG ENLLHLK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.567 177.584 -0.029 0.000 1.274 2 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 3 I N 2.105 122.659 120.570 -0.027 0.000 2.618 3 I HA 0.246 4.415 4.170 -0.001 0.000 0.284 3 I C 0.389 176.487 176.117 -0.033 0.000 1.146 3 I CA 0.716 61.998 61.300 -0.030 0.000 1.425 3 I CB 0.052 38.036 38.000 -0.026 0.000 1.383 3 I HN 0.524 nan 8.210 nan 0.000 0.562 4 K N 6.432 126.809 120.400 -0.039 0.000 2.469 4 K HA 0.485 4.805 4.320 -0.001 0.000 0.254 4 K C -0.435 176.135 176.600 -0.051 0.000 0.939 4 K CA -1.031 55.230 56.287 -0.043 0.000 0.812 4 K CB 2.814 35.285 32.500 -0.048 0.000 1.301 4 K HN 0.461 nan 8.250 nan 0.000 0.433 5 R N -0.019 120.451 120.500 -0.049 0.000 2.594 5 R HA 0.060 4.400 4.340 -0.001 0.000 0.272 5 R C 1.546 177.802 176.300 -0.074 0.000 1.074 5 R CA 0.258 56.319 56.100 -0.064 0.000 1.105 5 R CB 0.341 30.616 30.300 -0.041 0.000 1.008 5 R HN 0.931 nan 8.270 nan 0.000 0.472 6 G N 1.523 110.265 108.800 -0.096 0.000 2.469 6 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.219 6 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.219 6 G C 1.387 176.241 174.900 -0.076 0.000 1.150 6 G CA 1.043 46.091 45.100 -0.088 0.000 0.763 6 G HN 0.693 nan 8.290 nan 0.000 0.561 7 A N 1.013 123.798 122.820 -0.058 0.000 1.908 7 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 7 A C 2.100 179.614 177.584 -0.117 0.000 1.181 7 A CA 2.126 54.136 52.037 -0.045 0.000 0.627 7 A CB -0.403 18.637 19.000 0.065 0.000 0.818 7 A HN 0.330 nan 8.150 nan 0.000 0.445 8 D N 0.015 120.360 120.400 -0.092 0.000 2.144 8 D HA -0.090 4.549 4.640 -0.001 0.000 0.200 8 D C 1.952 178.175 176.300 -0.128 0.000 0.978 8 D CA 1.025 54.955 54.000 -0.117 0.000 0.833 8 D CB -0.302 40.452 40.800 -0.077 0.000 0.961 8 D HN 0.472 nan 8.370 nan 0.000 0.470 9 L N 0.571 121.733 121.223 -0.102 0.000 2.083 9 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 9 L C 2.556 179.365 176.870 -0.103 0.000 1.083 9 L CA 0.624 55.408 54.840 -0.093 0.000 0.752 9 L CB -0.297 41.720 42.059 -0.070 0.000 0.899 9 L HN -0.015 nan 8.230 nan 0.000 0.433 10 I N -0.906 119.595 120.570 -0.115 0.000 2.163 10 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 10 I C 2.442 178.453 176.117 -0.177 0.000 1.085 10 I CA 1.191 62.422 61.300 -0.114 0.000 1.347 10 I CB -0.304 37.627 38.000 -0.115 0.000 1.044 10 I HN 0.003 nan 8.210 nan 0.000 0.408 11 V N 0.602 120.331 119.914 -0.307 0.000 2.343 11 V HA -0.276 3.843 4.120 -0.001 0.000 0.247 11 V C 2.343 178.321 176.094 -0.194 0.000 1.051 11 V CA 1.906 63.981 62.300 -0.375 0.000 1.036 11 V CB -0.692 30.812 31.823 -0.532 0.000 0.654 11 V HN 0.436 nan 8.190 nan 0.000 0.451 12 E N 0.257 120.353 120.200 -0.172 0.000 2.085 12 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 12 E C 2.336 178.805 176.600 -0.218 0.000 0.994 12 E CA 1.351 57.654 56.400 -0.161 0.000 0.801 12 E CB -0.337 29.281 29.700 -0.136 0.000 0.743 12 E HN 0.613 nan 8.360 nan 0.000 0.453 13 A N 1.187 123.888 122.820 -0.199 0.000 1.877 13 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 13 A C 2.201 179.562 177.584 -0.372 0.000 1.186 13 A CA 1.042 52.904 52.037 -0.291 0.000 0.620 13 A CB -0.650 18.338 19.000 -0.019 0.000 0.822 13 A HN 0.129 nan 8.150 nan 0.000 0.443 14 L N -0.721 120.431 121.223 -0.118 0.000 2.046 14 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 14 L C 2.602 179.384 176.870 -0.147 0.000 1.077 14 L CA 1.724 56.553 54.840 -0.019 0.000 0.747 14 L CB -0.628 41.523 42.059 0.154 0.000 0.896 14 L HN 0.485 nan 8.230 nan 0.000 0.432 15 E N -0.181 119.929 120.200 -0.150 0.000 2.072 15 E HA -0.267 4.083 4.350 -0.001 0.000 0.191 15 E C 2.031 178.480 176.600 -0.252 0.000 0.985 15 E CA 1.135 57.451 56.400 -0.140 0.000 0.801 15 E CB 0.004 29.649 29.700 -0.092 0.000 0.750 15 E HN 0.332 nan 8.360 nan 0.000 0.452 16 E N 0.410 120.353 120.200 -0.428 0.000 2.118 16 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 16 E C 0.800 177.083 176.600 -0.529 0.000 0.992 16 E CA 1.221 57.303 56.400 -0.529 0.000 0.804 16 E CB -0.106 29.148 29.700 -0.743 0.000 0.741 16 E HN 0.324 nan 8.360 nan 0.000 0.458 17 Y N -0.971 119.122 120.300 -0.345 0.000 2.532 17 Y HA 0.422 4.971 4.550 -0.001 0.000 0.283 17 Y C 1.398 176.989 175.900 -0.515 0.000 1.181 17 Y CA -0.002 57.749 58.100 -0.582 0.000 1.256 17 Y CB 0.379 38.111 38.460 -1.212 0.000 1.112 17 Y HN 0.167 nan 8.280 nan 0.000 0.521 18 G N -0.303 108.375 108.800 -0.203 0.000 2.141 18 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.231 18 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.231 18 G C 0.195 175.095 174.900 -0.001 0.000 0.984 18 G CA 0.035 45.096 45.100 -0.066 0.000 0.660 18 G HN 0.255 nan 8.290 nan 0.000 0.525 19 T N 0.614 115.165 114.554 -0.005 0.000 2.902 19 T HA 0.342 4.691 4.350 -0.001 0.000 0.301 19 T C 1.274 175.991 174.700 0.027 0.000 1.012 19 T CA 0.994 63.135 62.100 0.067 0.000 1.151 19 T CB 1.225 70.158 68.868 0.109 0.000 0.946 19 T HN 0.450 nan 8.240 nan 0.000 0.542 20 E N 1.121 121.326 120.200 0.008 0.000 2.399 20 E HA 0.081 4.431 4.350 -0.001 0.000 0.205 20 E C 0.493 177.051 176.600 -0.070 0.000 0.906 20 E CA 0.041 56.446 56.400 0.007 0.000 0.998 20 E CB 0.564 30.322 29.700 0.097 0.000 1.002 20 E HN 0.412 nan 8.360 nan 0.000 0.501 21 Q N 0.806 120.481 119.800 -0.208 0.000 2.289 21 Q HA 0.298 4.637 4.340 -0.001 0.000 0.270 21 Q C -1.822 173.963 176.000 -0.359 0.000 1.038 21 Q CA -0.491 55.114 55.803 -0.329 0.000 0.812 21 Q CB 2.129 30.486 28.738 -0.636 0.000 1.300 21 Q HN -0.114 nan 8.270 nan 0.000 0.427 22 V N 3.902 123.593 119.914 -0.373 0.000 2.483 22 V HA 0.646 4.766 4.120 -0.001 0.000 0.295 22 V C -0.613 175.238 176.094 -0.406 0.000 1.035 22 V CA -0.749 61.273 62.300 -0.464 0.000 0.896 22 V CB 1.860 33.222 31.823 -0.768 0.000 0.986 22 V HN 0.661 nan 8.190 nan 0.000 0.447 23 V N 3.817 123.492 119.914 -0.398 0.000 2.378 23 V HA 0.849 4.969 4.120 -0.001 0.000 0.288 23 V C 0.511 176.261 176.094 -0.575 0.000 1.016 23 V CA -0.161 61.948 62.300 -0.318 0.000 0.840 23 V CB 1.310 33.068 31.823 -0.108 0.000 0.994 23 V HN 1.008 nan 8.190 nan 0.000 0.431 24 G N 3.003 111.563 108.800 -0.400 0.000 2.612 24 G HA2 0.739 4.698 3.960 -0.001 0.000 0.298 24 G HA3 0.739 4.698 3.960 -0.001 0.000 0.298 24 G C -1.910 172.971 174.900 -0.032 0.000 1.336 24 G CA -0.552 44.312 45.100 -0.393 0.000 0.953 24 G HN 0.456 nan 8.290 nan 0.000 0.482 25 F N 1.366 121.351 119.950 0.058 0.000 2.518 25 F HA 0.564 5.091 4.527 -0.001 0.000 0.323 25 F C -0.188 175.710 175.800 0.163 0.000 1.129 25 F CA -0.979 57.155 58.000 0.223 0.000 0.920 25 F CB 1.862 41.134 39.000 0.454 0.000 1.160 25 F HN 0.387 nan 8.300 nan 0.000 0.440 26 I N 4.007 124.766 120.570 0.315 0.000 2.720 26 I HA 0.698 4.867 4.170 -0.001 0.000 0.287 26 I C 0.181 176.388 176.117 0.150 0.000 1.090 26 I CA 0.238 61.673 61.300 0.225 0.000 1.384 26 I CB 1.007 39.074 38.000 0.111 0.000 1.420 26 I HN 0.642 nan 8.210 nan 0.000 0.575 27 G N 4.864 113.627 108.800 -0.061 0.000 2.368 27 G HA2 0.141 4.101 3.960 -0.001 0.000 0.293 27 G HA3 0.141 4.101 3.960 -0.001 0.000 0.293 27 G C 0.253 174.804 174.900 -0.581 0.000 1.467 27 G CA -0.045 44.671 45.100 -0.640 0.000 0.804 27 G HN 0.800 nan 8.290 nan 0.000 0.535 28 H N -1.168 117.505 119.070 -0.663 0.000 2.426 28 H HA -0.169 4.387 4.556 -0.001 0.000 0.298 28 H C 2.115 177.107 175.328 -0.561 0.000 1.107 28 H CA 2.285 57.749 56.048 -0.972 0.000 1.298 28 H CB -0.859 28.611 29.762 -0.488 0.000 1.377 28 H HN 0.624 nan 8.280 nan 0.000 0.519 29 T N -0.451 113.672 114.554 -0.718 0.000 2.995 29 T HA -0.059 4.290 4.350 -0.001 0.000 0.269 29 T C 1.975 176.669 174.700 -0.009 0.000 1.091 29 T CA 0.987 62.673 62.100 -0.690 0.000 1.128 29 T CB -0.452 67.985 68.868 -0.718 0.000 0.891 29 T HN 0.506 nan 8.240 nan 0.000 0.492 30 S N -0.426 115.330 115.700 0.093 0.000 2.540 30 S HA 0.203 4.673 4.470 -0.001 0.000 0.218 30 S C 1.381 176.137 174.600 0.260 0.000 0.977 30 S CA -0.513 57.812 58.200 0.208 0.000 0.918 30 S CB -0.813 62.520 63.200 0.222 0.000 0.806 30 S HN 0.697 nan 8.310 nan 0.000 0.496 31 H N 0.584 119.704 119.070 0.084 0.000 2.319 31 H HA -0.069 4.487 4.556 -0.001 0.000 0.299 31 H C 1.226 176.508 175.328 -0.077 0.000 1.092 31 H CA 1.935 57.947 56.048 -0.060 0.000 1.302 31 H CB -0.188 29.440 29.762 -0.224 0.000 1.373 31 H HN 0.492 nan 8.280 nan 0.000 0.497 32 F N -0.085 120.032 119.950 0.278 0.000 2.186 32 F HA -0.174 4.353 4.527 -0.001 0.000 0.299 32 F C 2.525 178.380 175.800 0.092 0.000 1.090 32 F CA 0.505 58.602 58.000 0.162 0.000 1.307 32 F CB -0.609 38.477 39.000 0.143 0.000 1.019 32 F HN -0.065 nan 8.300 nan 0.000 0.489 33 V N 0.156 120.235 119.914 0.274 0.000 2.343 33 V HA -0.308 3.811 4.120 -0.001 0.000 0.247 33 V C 2.603 178.806 176.094 0.181 0.000 1.051 33 V CA 1.799 64.177 62.300 0.130 0.000 1.036 33 V CB -1.309 30.604 31.823 0.148 0.000 0.654 33 V HN 0.371 nan 8.190 nan 0.000 0.451 34 A N 0.077 123.033 122.820 0.227 0.000 1.902 34 A HA -0.315 4.005 4.320 -0.001 0.000 0.217 34 A C 2.042 179.713 177.584 0.144 0.000 1.181 34 A CA 2.262 54.428 52.037 0.216 0.000 0.623 34 A CB -0.761 18.317 19.000 0.130 0.000 0.818 34 A HN 0.615 nan 8.150 nan 0.000 0.443 35 D N -0.352 120.096 120.400 0.079 0.000 2.104 35 D HA -0.070 4.570 4.640 -0.001 0.000 0.194 35 D C 2.031 178.358 176.300 0.044 0.000 0.994 35 D CA 1.770 55.793 54.000 0.040 0.000 0.830 35 D CB -0.188 40.620 40.800 0.014 0.000 0.959 35 D HN 0.351 nan 8.370 nan 0.000 0.452 36 A N -0.604 122.232 122.820 0.027 0.000 1.902 36 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 36 A C 2.176 179.723 177.584 -0.062 0.000 1.181 36 A CA 1.050 53.053 52.037 -0.057 0.000 0.623 36 A CB -1.224 17.690 19.000 -0.144 0.000 0.818 36 A HN 0.401 nan 8.150 nan 0.000 0.443 37 F N 1.113 121.057 119.950 -0.011 0.000 2.269 37 F HA -0.202 4.325 4.527 -0.001 0.000 0.301 37 F C 2.883 178.661 175.800 -0.038 0.000 1.082 37 F CA 1.311 59.293 58.000 -0.031 0.000 1.360 37 F CB -0.035 38.944 39.000 -0.036 0.000 1.041 37 F HN 0.390 nan 8.300 nan 0.000 0.512 38 S N -0.025 115.760 115.700 0.142 0.000 2.474 38 S HA -0.154 4.315 4.470 -0.001 0.000 0.235 38 S C 1.534 176.146 174.600 0.019 0.000 0.997 38 S CA 0.799 59.037 58.200 0.064 0.000 0.949 38 S CB -0.399 62.822 63.200 0.035 0.000 0.766 38 S HN 0.405 nan 8.310 nan 0.000 0.517 39 K N 1.655 122.056 120.400 0.001 0.000 2.393 39 K HA 0.166 4.486 4.320 -0.001 0.000 0.193 39 K C 0.740 177.280 176.600 -0.101 0.000 1.026 39 K CA 0.373 56.631 56.287 -0.048 0.000 1.064 39 K CB 0.343 32.815 32.500 -0.047 0.000 0.833 39 K HN 0.531 nan 8.250 nan 0.000 0.521 40 S N -0.968 114.697 115.700 -0.059 0.000 2.638 40 S HA 0.194 4.664 4.470 -0.001 0.000 0.298 40 S C 0.583 175.124 174.600 -0.097 0.000 1.111 40 S CA -0.698 57.450 58.200 -0.088 0.000 1.027 40 S CB 1.183 64.401 63.200 0.029 0.000 1.064 40 S HN 0.188 nan 8.310 nan 0.000 0.525 41 H N 0.877 119.970 119.070 0.039 0.000 2.518 41 H HA 0.109 4.664 4.556 -0.001 0.000 0.289 41 H C 1.365 176.710 175.328 0.029 0.000 1.051 41 H CA 1.482 57.547 56.048 0.027 0.000 1.280 41 H CB -0.310 29.461 29.762 0.015 0.000 1.380 41 H HN 0.445 nan 8.280 nan 0.000 0.566 42 L N -0.423 120.883 121.223 0.139 0.000 2.275 42 L HA -0.066 4.274 4.340 -0.001 0.000 0.215 42 L C 2.652 179.522 176.870 0.000 0.000 1.119 42 L CA 0.706 55.584 54.840 0.063 0.000 0.790 42 L CB -0.305 41.812 42.059 0.096 0.000 0.919 42 L HN 0.405 nan 8.230 nan 0.000 0.443 43 G N -0.090 108.744 108.800 0.057 0.000 2.404 43 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.215 43 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.215 43 G C 1.665 176.562 174.900 -0.005 0.000 1.174 43 G CA 0.497 45.614 45.100 0.028 0.000 0.780 43 G HN 0.232 nan 8.290 nan 0.000 0.537 44 K N -0.210 120.202 120.400 0.021 0.000 2.097 44 K HA -0.010 4.309 4.320 -0.001 0.000 0.206 44 K C 1.721 178.338 176.600 0.028 0.000 1.049 44 K CA 0.509 56.812 56.287 0.027 0.000 0.933 44 K CB 0.002 32.528 32.500 0.042 0.000 0.717 44 K HN -0.013 nan 8.250 nan 0.000 0.442 45 R N 1.551 122.056 120.500 0.008 0.000 2.893 45 R HA 0.135 4.474 4.340 -0.001 0.000 0.317 45 R C -0.884 175.364 176.300 -0.085 0.000 1.239 45 R CA -0.124 55.977 56.100 0.002 0.000 1.128 45 R CB -0.084 30.225 30.300 0.015 0.000 1.377 45 R HN -0.023 nan 8.270 nan 0.000 0.583 46 V N 2.479 122.327 119.914 -0.109 0.000 2.673 46 V HA -0.034 4.086 4.120 -0.001 0.000 0.303 46 V C 0.956 176.953 176.094 -0.161 0.000 1.046 46 V CA 0.345 62.528 62.300 -0.194 0.000 1.126 46 V CB 0.840 32.529 31.823 -0.224 0.000 0.934 46 V HN 0.125 nan 8.190 nan 0.000 0.487 47 I N 4.628 125.066 120.570 -0.220 0.000 2.315 47 I HA 0.295 4.464 4.170 -0.001 0.000 0.291 47 I C 0.205 176.258 176.117 -0.106 0.000 1.006 47 I CA -0.101 61.080 61.300 -0.198 0.000 1.265 47 I CB 0.781 38.646 38.000 -0.226 0.000 1.387 47 I HN 0.667 nan 8.210 nan 0.000 0.475 48 N N 8.399 127.071 118.700 -0.048 0.000 2.546 48 N HA 0.323 5.062 4.740 -0.001 0.000 0.238 48 N C -2.433 173.045 175.510 -0.054 0.000 0.984 48 N CA -1.116 51.873 53.050 -0.102 0.000 0.935 48 N CB 1.176 39.572 38.487 -0.152 0.000 1.122 48 N HN 0.414 nan 8.380 nan 0.000 0.510 49 P HA 0.110 nan 4.420 nan 0.000 0.276 49 P C 0.260 177.665 177.300 0.175 0.000 1.252 49 P CA -0.356 62.833 63.100 0.149 0.000 0.802 49 P CB 1.225 33.088 31.700 0.271 0.000 1.035 50 A N 1.631 124.581 122.820 0.218 0.000 1.940 50 A HA -0.014 4.305 4.320 -0.001 0.000 0.219 50 A C 1.184 179.024 177.584 0.427 0.000 1.176 50 A CA 2.104 54.301 52.037 0.266 0.000 0.631 50 A CB -1.225 17.907 19.000 0.220 0.000 0.814 50 A HN 0.774 nan 8.150 nan 0.000 0.446 51 T N -5.078 109.727 114.554 0.417 0.000 2.883 51 T HA 0.557 4.907 4.350 -0.001 0.000 0.301 51 T C 0.095 174.967 174.700 0.286 0.000 1.158 51 T CA -0.200 62.111 62.100 0.353 0.000 1.007 51 T CB 1.616 70.618 68.868 0.223 0.000 1.186 51 T HN 0.055 nan 8.240 nan 0.000 0.499 52 E N 0.198 120.413 120.200 0.025 0.000 2.106 52 E HA 0.022 4.372 4.350 -0.001 0.000 0.192 52 E C 1.784 178.185 176.600 -0.332 0.000 0.984 52 E CA 0.774 57.020 56.400 -0.258 0.000 0.806 52 E CB -0.233 29.125 29.700 -0.570 0.000 0.750 52 E HN 0.527 nan 8.360 nan 0.000 0.458 53 L N 0.302 121.437 121.223 -0.146 0.000 2.056 53 L HA 0.028 4.368 4.340 -0.001 0.000 0.207 53 L C 2.085 178.910 176.870 -0.075 0.000 1.078 53 L CA 2.217 56.984 54.840 -0.122 0.000 0.749 53 L CB -1.040 41.074 42.059 0.091 0.000 0.901 53 L HN 0.163 nan 8.230 nan 0.000 0.433 54 G N -0.828 107.993 108.800 0.035 0.000 2.476 54 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 54 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 54 G C 1.525 176.485 174.900 0.100 0.000 1.164 54 G CA 0.676 45.767 45.100 -0.014 0.000 0.768 54 G HN 0.603 nan 8.290 nan 0.000 0.560 55 G N 0.959 109.865 108.800 0.176 0.000 2.422 55 G HA2 0.058 4.017 3.960 -0.001 0.000 0.218 55 G HA3 0.058 4.017 3.960 -0.001 0.000 0.218 55 G C 2.029 177.117 174.900 0.312 0.000 1.146 55 G CA 1.478 46.768 45.100 0.316 0.000 0.769 55 G HN 0.679 nan 8.290 nan 0.000 0.547 56 A N 0.026 122.917 122.820 0.118 0.000 1.969 56 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 56 A C 2.176 179.771 177.584 0.018 0.000 1.169 56 A CA 1.215 53.297 52.037 0.075 0.000 0.635 56 A CB -0.638 18.185 19.000 -0.294 0.000 0.810 56 A HN 0.566 nan 8.150 nan 0.000 0.445 57 W N -0.397 120.901 121.300 -0.003 0.000 2.388 57 W HA -0.116 4.544 4.660 -0.000 0.000 0.294 57 W C 2.484 179.011 176.519 0.013 0.000 1.212 57 W CA 1.031 58.361 57.345 -0.026 0.000 1.271 57 W CB -0.254 29.126 29.460 -0.133 0.000 1.126 57 W HN 0.255 nan 8.180 nan 0.000 0.535 58 M N -0.436 119.311 119.600 0.246 0.000 2.117 58 M HA -0.238 4.241 4.480 -0.001 0.000 0.262 58 M C 1.895 178.307 176.300 0.186 0.000 1.065 58 M CA 1.439 56.838 55.300 0.166 0.000 1.114 58 M CB -1.085 31.578 32.600 0.105 0.000 1.361 58 M HN -0.169 nan 8.290 nan 0.000 0.408 59 V N 1.082 121.101 119.914 0.174 0.000 2.332 59 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 59 V C 2.043 178.243 176.094 0.176 0.000 1.055 59 V CA 1.934 64.308 62.300 0.124 0.000 1.038 59 V CB -0.944 30.940 31.823 0.102 0.000 0.651 59 V HN 0.479 nan 8.190 nan 0.000 0.450 60 N N 0.851 119.677 118.700 0.210 0.000 2.084 60 N HA -0.118 4.622 4.740 -0.001 0.000 0.190 60 N C 1.903 177.580 175.510 0.277 0.000 1.030 60 N CA 1.716 54.910 53.050 0.239 0.000 0.849 60 N CB -0.840 37.817 38.487 0.284 0.000 1.012 60 N HN 0.518 nan 8.380 nan 0.000 0.423 61 G N -0.568 108.390 108.800 0.264 0.000 2.418 61 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 61 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 61 G C 1.560 176.598 174.900 0.230 0.000 1.158 61 G CA 0.489 45.722 45.100 0.222 0.000 0.771 61 G HN 0.375 nan 8.290 nan 0.000 0.545 62 Y N 1.631 121.987 120.300 0.094 0.000 2.145 62 Y HA -0.148 4.402 4.550 -0.001 0.000 0.286 62 Y C 2.714 178.652 175.900 0.063 0.000 1.145 62 Y CA 1.890 60.024 58.100 0.057 0.000 1.148 62 Y CB 0.093 38.568 38.460 0.025 0.000 0.981 62 Y HN 0.150 nan 8.280 nan 0.000 0.507 63 N N -0.966 117.934 118.700 0.333 0.000 2.354 63 N HA -0.171 4.569 4.740 -0.001 0.000 0.179 63 N C 1.489 177.082 175.510 0.137 0.000 1.021 63 N CA 1.071 54.253 53.050 0.219 0.000 0.887 63 N CB -0.770 37.807 38.487 0.151 0.000 0.974 63 N HN 0.495 nan 8.380 nan 0.000 0.437 64 Y N 1.915 122.271 120.300 0.092 0.000 2.145 64 Y HA -0.193 4.356 4.550 -0.001 0.000 0.286 64 Y C 2.161 178.082 175.900 0.035 0.000 1.145 64 Y CA 1.435 59.573 58.100 0.063 0.000 1.148 64 Y CB -0.307 38.199 38.460 0.077 0.000 0.981 64 Y HN -0.043 nan 8.280 nan 0.000 0.507 65 V N -1.962 117.939 119.914 -0.022 0.000 2.871 65 V HA -0.060 4.059 4.120 -0.001 0.000 0.256 65 V C 1.817 177.831 176.094 -0.133 0.000 1.082 65 V CA 1.627 63.861 62.300 -0.110 0.000 1.105 65 V CB -0.401 31.410 31.823 -0.020 0.000 0.713 65 V HN 0.209 nan 8.190 nan 0.000 0.473 66 K N -0.735 119.617 120.400 -0.080 0.000 2.314 66 K HA 0.051 4.371 4.320 -0.001 0.000 0.198 66 K C 0.574 177.149 176.600 -0.041 0.000 1.045 66 K CA 0.684 56.946 56.287 -0.042 0.000 0.988 66 K CB -0.238 32.288 32.500 0.044 0.000 0.783 66 K HN 0.503 nan 8.250 nan 0.000 0.484 67 D N 1.278 121.633 120.400 -0.075 0.000 2.837 67 D HA -0.180 4.459 4.640 -0.001 0.000 0.230 67 D C -0.203 176.088 176.300 -0.015 0.000 1.152 67 D CA 1.124 55.079 54.000 -0.075 0.000 0.736 67 D CB -0.603 40.142 40.800 -0.092 0.000 1.084 67 D HN 0.525 nan 8.370 nan 0.000 0.429 68 R N -2.517 117.999 120.500 0.027 0.000 2.728 68 R HA 0.453 4.792 4.340 -0.001 0.000 0.274 68 R C -0.566 175.788 176.300 0.090 0.000 1.030 68 R CA -0.843 55.294 56.100 0.062 0.000 0.876 68 R CB 0.762 31.113 30.300 0.085 0.000 1.259 68 R HN -0.136 nan 8.270 nan 0.000 0.468 69 S N 0.308 116.074 115.700 0.109 0.000 4.069 69 S HA 0.229 4.699 4.470 -0.001 0.000 0.192 69 S C 1.004 175.700 174.600 0.160 0.000 1.441 69 S CA 0.193 58.437 58.200 0.073 0.000 0.994 69 S CB -0.427 62.712 63.200 -0.102 0.000 1.456 69 S HN 0.605 nan 8.310 nan 0.000 0.458 70 A N 2.154 125.061 122.820 0.146 0.000 1.969 70 A HA 0.446 4.766 4.320 -0.001 0.000 0.218 70 A C 1.242 178.781 177.584 -0.076 0.000 1.169 70 A CA 0.947 53.067 52.037 0.138 0.000 0.635 70 A CB -0.369 18.809 19.000 0.296 0.000 0.810 70 A HN 0.830 nan 8.150 nan 0.000 0.445 71 A N -0.172 122.509 122.820 -0.233 0.000 2.306 71 A HA 0.595 4.914 4.320 -0.001 0.000 0.314 71 A C -0.124 177.311 177.584 -0.249 0.000 1.164 71 A CA 0.079 51.854 52.037 -0.436 0.000 0.822 71 A CB 0.799 19.422 19.000 -0.628 0.000 1.130 71 A HN 1.305 nan 8.150 nan 0.000 0.496 72 V N -0.134 119.621 119.914 -0.264 0.000 2.876 72 V HA 0.938 5.057 4.120 -0.001 0.000 0.312 72 V C 0.179 176.063 176.094 -0.350 0.000 1.085 72 V CA -0.092 62.042 62.300 -0.276 0.000 0.945 72 V CB 1.427 33.170 31.823 -0.134 0.000 1.017 72 V HN 1.349 nan 8.190 nan 0.000 0.428 73 G N 1.715 110.270 108.800 -0.409 0.000 2.389 73 G HA2 0.795 4.754 3.960 -0.001 0.000 0.317 73 G HA3 0.795 4.754 3.960 -0.001 0.000 0.317 73 G C -0.398 174.048 174.900 -0.756 0.000 1.137 73 G CA -0.319 44.460 45.100 -0.534 0.000 0.870 73 G HN 1.834 nan 8.290 nan 0.000 0.496 74 A N 1.388 123.428 122.820 -1.301 0.000 2.446 74 A HA 0.690 5.010 4.320 -0.001 0.000 0.282 74 A C -1.563 175.642 177.584 -0.633 0.000 1.102 74 A CA -0.673 50.959 52.037 -0.675 0.000 0.737 74 A CB 0.678 19.547 19.000 -0.218 0.000 1.212 74 A HN 0.693 nan 8.150 nan 0.000 0.434 75 W N 1.181 122.584 121.300 0.173 0.000 2.781 75 W HA 0.498 5.158 4.660 -0.001 0.000 0.333 75 W C 0.199 176.818 176.519 0.167 0.000 1.047 75 W CA -0.686 56.771 57.345 0.187 0.000 1.236 75 W CB 1.084 30.636 29.460 0.154 0.000 1.394 75 W HN 0.891 nan 8.180 nan 0.000 0.466 76 H N 2.739 121.978 119.070 0.281 0.000 3.034 76 H HA 0.031 4.587 4.556 -0.001 0.000 0.324 76 H C 1.573 176.943 175.328 0.070 0.000 1.015 76 H CA 0.681 56.783 56.048 0.089 0.000 1.429 76 H CB 0.848 30.622 29.762 0.021 0.000 1.429 76 H HN 0.807 nan 8.280 nan 0.000 0.585 77 C N 3.016 122.064 119.300 -0.420 0.000 2.143 77 C HA -0.362 4.097 4.460 -0.001 0.000 0.230 77 C C 2.651 177.552 174.990 -0.148 0.000 1.054 77 C CA 2.278 61.119 59.018 -0.295 0.000 1.806 77 C CB -1.992 25.488 27.740 -0.434 0.000 1.506 77 C HN 0.916 nan 8.230 nan 0.000 0.358 78 V N 1.219 121.006 119.914 -0.212 0.000 2.913 78 V HA 0.220 4.340 4.120 -0.001 0.000 0.260 78 V C 2.524 178.596 176.094 -0.037 0.000 1.098 78 V CA 2.272 64.535 62.300 -0.062 0.000 1.121 78 V CB -2.019 29.783 31.823 -0.034 0.000 0.714 78 V HN 1.024 nan 8.190 nan 0.000 0.487 79 G N 0.825 109.608 108.800 -0.027 0.000 2.470 79 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 79 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 79 G C 1.369 176.182 174.900 -0.144 0.000 1.121 79 G CA 0.822 45.856 45.100 -0.110 0.000 0.766 79 G HN 0.585 nan 8.290 nan 0.000 0.553 80 N N 0.520 119.208 118.700 -0.020 0.000 2.272 80 N HA -0.054 4.686 4.740 -0.001 0.000 0.185 80 N C 2.043 177.576 175.510 0.038 0.000 1.014 80 N CA 0.589 53.633 53.050 -0.010 0.000 0.870 80 N CB -0.133 38.488 38.487 0.224 0.000 0.975 80 N HN 0.319 nan 8.380 nan 0.000 0.433 81 L N 0.344 121.593 121.223 0.044 0.000 2.456 81 L HA -0.085 4.255 4.340 -0.001 0.000 0.224 81 L C 1.291 178.222 176.870 0.102 0.000 1.148 81 L CA 0.430 55.331 54.840 0.102 0.000 0.825 81 L CB -0.100 41.965 42.059 0.010 0.000 0.937 81 L HN 0.055 nan 8.230 nan 0.000 0.450 82 L N -1.123 120.080 121.223 -0.034 0.000 2.592 82 L HA 0.028 4.367 4.340 -0.001 0.000 0.227 82 L C 1.817 178.616 176.870 -0.118 0.000 1.127 82 L CA 0.633 55.437 54.840 -0.060 0.000 0.884 82 L CB -0.080 41.902 42.059 -0.128 0.000 1.065 82 L HN 0.163 nan 8.230 nan 0.000 0.457 83 L N -1.744 119.362 121.223 -0.195 0.000 2.341 83 L HA -0.077 4.263 4.340 -0.001 0.000 0.214 83 L C 2.284 178.986 176.870 -0.280 0.000 1.115 83 L CA 0.388 54.985 54.840 -0.406 0.000 0.820 83 L CB -0.551 41.120 42.059 -0.646 0.000 0.944 83 L HN 0.325 nan 8.230 nan 0.000 0.452 84 H N 0.375 119.382 119.070 -0.105 0.000 2.352 84 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 84 H C 2.336 177.587 175.328 -0.129 0.000 1.097 84 H CA 1.465 57.474 56.048 -0.065 0.000 1.311 84 H CB -0.291 29.421 29.762 -0.084 0.000 1.377 84 H HN 0.347 nan 8.280 nan 0.000 0.504 85 A N 0.959 123.768 122.820 -0.018 0.000 1.858 85 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 85 A C 2.585 179.997 177.584 -0.287 0.000 1.190 85 A CA 1.796 53.800 52.037 -0.055 0.000 0.617 85 A CB -1.217 17.822 19.000 0.066 0.000 0.827 85 A HN 0.476 nan 8.150 nan 0.000 0.443 86 A N -1.159 121.270 122.820 -0.652 0.000 1.933 86 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 86 A C 2.215 179.485 177.584 -0.524 0.000 1.175 86 A CA 2.190 53.580 52.037 -1.079 0.000 0.628 86 A CB -0.490 17.756 19.000 -1.257 0.000 0.814 86 A HN 0.571 nan 8.150 nan 0.000 0.444 87 M N -0.943 118.439 119.600 -0.363 0.000 2.159 87 M HA -0.162 4.318 4.480 -0.001 0.000 0.263 87 M C 2.176 178.407 176.300 -0.114 0.000 1.063 87 M CA 2.151 57.318 55.300 -0.222 0.000 1.110 87 M CB -0.222 32.221 32.600 -0.261 0.000 1.374 87 M HN 0.477 nan 8.290 nan 0.000 0.411 88 Q N 0.303 120.048 119.800 -0.092 0.000 2.050 88 Q HA -0.241 4.099 4.340 -0.001 0.000 0.202 88 Q C 1.870 177.859 176.000 -0.018 0.000 0.980 88 Q CA 2.335 58.120 55.803 -0.031 0.000 0.840 88 Q CB -0.380 28.354 28.738 -0.007 0.000 0.898 88 Q HN 0.606 nan 8.270 nan 0.000 0.424 89 E N -0.172 120.011 120.200 -0.028 0.000 2.085 89 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 89 E C 1.707 178.335 176.600 0.047 0.000 0.994 89 E CA 1.754 58.184 56.400 0.049 0.000 0.801 89 E CB -0.670 29.129 29.700 0.165 0.000 0.743 89 E HN 0.432 nan 8.360 nan 0.000 0.453 90 A N 0.938 123.761 122.820 0.005 0.000 1.933 90 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 90 A C 2.290 179.896 177.584 0.037 0.000 1.175 90 A CA 1.696 53.757 52.037 0.039 0.000 0.628 90 A CB -0.624 18.393 19.000 0.029 0.000 0.814 90 A HN 0.283 nan 8.150 nan 0.000 0.444 91 R N -0.255 120.257 120.500 0.020 0.000 2.064 91 R HA -0.137 4.203 4.340 -0.001 0.000 0.228 91 R C 2.385 178.704 176.300 0.032 0.000 1.144 91 R CA 2.397 58.511 56.100 0.023 0.000 0.932 91 R CB -0.760 29.551 30.300 0.018 0.000 0.833 91 R HN 0.597 nan 8.270 nan 0.000 0.429 92 T N -2.751 111.822 114.554 0.031 0.000 2.951 92 T HA 0.020 4.370 4.350 -0.001 0.000 0.268 92 T C 1.799 176.531 174.700 0.053 0.000 1.073 92 T CA 0.931 63.052 62.100 0.036 0.000 1.134 92 T CB -0.159 68.719 68.868 0.018 0.000 0.884 92 T HN 0.415 nan 8.240 nan 0.000 0.479 93 G N 0.643 109.484 108.800 0.067 0.000 2.985 93 G HA2 0.224 4.183 3.960 -0.001 0.000 0.209 93 G HA3 0.224 4.183 3.960 -0.001 0.000 0.209 93 G C 0.353 175.323 174.900 0.117 0.000 1.165 93 G CA -0.721 44.437 45.100 0.097 0.000 0.776 93 G HN 0.391 nan 8.290 nan 0.000 0.541 94 R N -1.081 119.466 120.500 0.079 0.000 3.336 94 R HA -0.148 4.191 4.340 -0.001 0.000 0.260 94 R C -0.438 175.904 176.300 0.070 0.000 1.032 94 R CA 0.410 56.543 56.100 0.056 0.000 0.693 94 R CB -2.487 27.839 30.300 0.042 0.000 1.134 94 R HN 0.451 nan 8.270 nan 0.000 0.433 95 I N 1.385 122.007 120.570 0.087 0.000 2.330 95 I HA 0.316 4.485 4.170 -0.001 0.000 0.289 95 I C -1.856 174.287 176.117 0.043 0.000 1.001 95 I CA -2.477 58.885 61.300 0.102 0.000 1.193 95 I CB 1.568 39.667 38.000 0.165 0.000 1.345 95 I HN -0.148 nan 8.210 nan 0.000 0.461 96 P HA 0.209 nan 4.420 nan 0.000 0.267 96 P C -0.878 176.402 177.300 -0.035 0.000 1.205 96 P CA -0.031 63.054 63.100 -0.025 0.000 0.765 96 P CB 0.967 32.653 31.700 -0.024 0.000 0.828 97 A N 2.979 125.747 122.820 -0.088 0.000 2.540 97 A HA 0.550 4.869 4.320 -0.001 0.000 0.297 97 A C -1.346 176.091 177.584 -0.244 0.000 1.056 97 A CA -0.535 51.417 52.037 -0.142 0.000 0.700 97 A CB 1.292 20.273 19.000 -0.030 0.000 1.280 97 A HN 0.251 nan 8.150 nan 0.000 0.398 98 V N 3.921 123.593 119.914 -0.405 0.000 2.448 98 V HA 0.503 4.623 4.120 -0.001 0.000 0.295 98 V C -0.678 175.161 176.094 -0.425 0.000 1.025 98 V CA -0.488 61.557 62.300 -0.426 0.000 0.859 98 V CB 1.532 32.917 31.823 -0.731 0.000 0.988 98 V HN 0.888 nan 8.190 nan 0.000 0.431 99 H N 5.094 124.121 119.070 -0.073 0.000 2.547 99 H HA 0.493 5.048 4.556 -0.001 0.000 0.342 99 H C -1.005 174.275 175.328 -0.080 0.000 1.048 99 H CA -0.636 55.444 56.048 0.053 0.000 1.204 99 H CB 2.314 32.214 29.762 0.229 0.000 1.493 99 H HN 0.349 nan 8.280 nan 0.000 0.511 100 I N 2.822 123.404 120.570 0.019 0.000 2.328 100 I HA 0.200 4.369 4.170 -0.001 0.000 0.287 100 I C 1.008 177.144 176.117 0.032 0.000 1.012 100 I CA -0.373 60.880 61.300 -0.078 0.000 1.195 100 I CB 0.932 38.905 38.000 -0.044 0.000 1.350 100 I HN 0.589 nan 8.210 nan 0.000 0.464 101 G N 7.238 115.990 108.800 -0.080 0.000 2.335 101 G HA2 0.525 4.485 3.960 -0.001 0.000 0.316 101 G HA3 0.525 4.485 3.960 -0.001 0.000 0.316 101 G C -0.481 174.474 174.900 0.092 0.000 1.129 101 G CA -0.410 44.791 45.100 0.167 0.000 0.899 101 G HN 0.325 nan 8.290 nan 0.000 0.448 102 L N 3.375 124.679 121.223 0.136 0.000 2.259 102 L HA 0.296 4.636 4.340 -0.001 0.000 0.288 102 L C 0.508 177.423 176.870 0.075 0.000 1.051 102 L CA -0.892 54.015 54.840 0.112 0.000 0.824 102 L CB 0.118 42.260 42.059 0.138 0.000 1.206 102 L HN 0.458 nan 8.230 nan 0.000 0.429 103 N N 0.861 119.630 118.700 0.115 0.000 2.364 103 N HA 0.228 4.967 4.740 -0.001 0.000 0.264 103 N C 0.198 175.793 175.510 0.142 0.000 1.263 103 N CA -0.117 53.001 53.050 0.113 0.000 0.959 103 N CB 1.005 39.593 38.487 0.169 0.000 1.204 103 N HN 0.458 nan 8.380 nan 0.000 0.550 104 S N -0.013 115.767 115.700 0.133 0.000 2.617 104 S HA -0.022 4.447 4.470 -0.001 0.000 0.259 104 S C -0.169 174.667 174.600 0.394 0.000 1.301 104 S CA -0.434 57.918 58.200 0.253 0.000 0.984 104 S CB 0.186 63.486 63.200 0.167 0.000 0.954 104 S HN 0.560 nan 8.310 nan 0.000 0.572 105 D N 0.449 121.126 120.400 0.462 0.000 2.493 105 D HA 0.081 4.721 4.640 -0.001 0.000 0.240 105 D C 1.323 177.703 176.300 0.133 0.000 1.142 105 D CA 0.357 54.492 54.000 0.225 0.000 0.872 105 D CB 0.698 41.596 40.800 0.164 0.000 1.173 105 D HN 0.548 nan 8.370 nan 0.000 0.467 106 G N 4.043 112.885 108.800 0.070 0.000 2.470 106 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.220 106 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.220 106 G C 1.565 176.494 174.900 0.048 0.000 1.121 106 G CA 0.760 45.895 45.100 0.058 0.000 0.766 106 G HN 0.507 nan 8.290 nan 0.000 0.553 107 R N -0.299 120.219 120.500 0.031 0.000 2.127 107 R HA 0.023 4.363 4.340 -0.001 0.000 0.238 107 R C 1.931 178.260 176.300 0.047 0.000 1.134 107 R CA 1.042 57.159 56.100 0.029 0.000 0.975 107 R CB -0.452 29.857 30.300 0.015 0.000 0.865 107 R HN 0.330 nan 8.270 nan 0.000 0.447 108 L N 0.135 121.400 121.223 0.069 0.000 2.529 108 L HA 0.373 4.713 4.340 -0.001 0.000 0.223 108 L C 0.549 177.466 176.870 0.077 0.000 1.113 108 L CA 0.582 55.466 54.840 0.074 0.000 0.861 108 L CB -0.663 41.451 42.059 0.092 0.000 1.012 108 L HN 0.153 nan 8.230 nan 0.000 0.461 109 A N -0.475 122.398 122.820 0.088 0.000 2.511 109 A HA 0.427 4.747 4.320 -0.001 0.000 0.242 109 A C 1.560 179.191 177.584 0.080 0.000 1.069 109 A CA 0.654 52.750 52.037 0.099 0.000 0.763 109 A CB -0.436 18.637 19.000 0.122 0.000 1.001 109 A HN 0.649 nan 8.150 nan 0.000 0.498 110 G N 1.768 110.612 108.800 0.073 0.000 2.217 110 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.246 110 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.246 110 G C 0.437 175.361 174.900 0.040 0.000 0.990 110 G CA 0.418 45.550 45.100 0.054 0.000 0.627 110 G HN 0.928 nan 8.290 nan 0.000 0.522 111 R N 1.050 121.575 120.500 0.042 0.000 2.389 111 R HA 0.429 4.768 4.340 -0.001 0.000 0.295 111 R C 1.995 178.312 176.300 0.027 0.000 1.075 111 R CA 0.419 56.538 56.100 0.033 0.000 1.005 111 R CB 0.878 31.200 30.300 0.037 0.000 0.987 111 R HN 0.443 nan 8.270 nan 0.000 0.452 112 S N 1.947 117.658 115.700 0.019 0.000 2.402 112 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 112 S C 0.758 175.366 174.600 0.013 0.000 1.021 112 S CA 0.766 58.974 58.200 0.013 0.000 0.974 112 S CB 0.172 63.377 63.200 0.008 0.000 0.800 112 S HN 0.575 nan 8.310 nan 0.000 0.484 113 E N 1.761 121.971 120.200 0.018 0.000 2.437 113 E HA 0.510 4.860 4.350 -0.001 0.000 0.195 113 E C 0.305 176.920 176.600 0.026 0.000 1.029 113 E CA 0.065 56.475 56.400 0.018 0.000 0.948 113 E CB 0.006 29.716 29.700 0.016 0.000 1.082 113 E HN 0.632 nan 8.360 nan 0.000 0.456 114 A N 1.165 124.004 122.820 0.031 0.000 2.407 114 A HA 0.550 4.870 4.320 -0.001 0.000 0.248 114 A C 0.340 177.950 177.584 0.042 0.000 1.082 114 A CA 0.040 52.103 52.037 0.043 0.000 0.785 114 A CB 0.475 19.508 19.000 0.054 0.000 1.020 114 A HN 0.210 nan 8.150 nan 0.000 0.489 115 A N 1.151 124.003 122.820 0.053 0.000 2.312 115 A HA 0.581 4.900 4.320 -0.001 0.000 0.326 115 A C 0.437 178.058 177.584 0.062 0.000 1.172 115 A CA -0.224 51.845 52.037 0.052 0.000 0.821 115 A CB 0.197 19.231 19.000 0.058 0.000 1.166 115 A HN 1.182 nan 8.150 nan 0.000 0.493 116 Q N -0.340 119.487 119.800 0.045 0.000 2.494 116 Q HA -0.148 4.192 4.340 -0.001 0.000 0.266 116 Q C -0.574 175.449 176.000 0.038 0.000 1.053 116 Q CA 0.705 56.525 55.803 0.027 0.000 1.029 116 Q CB -1.254 27.498 28.738 0.025 0.000 1.423 116 Q HN 0.803 nan 8.270 nan 0.000 0.516 117 Q N 1.043 120.876 119.800 0.056 0.000 2.406 117 Q HA 0.289 4.628 4.340 -0.001 0.000 0.242 117 Q C -0.081 175.967 176.000 0.080 0.000 1.036 117 Q CA -0.029 55.825 55.803 0.084 0.000 0.904 117 Q CB 1.179 29.968 28.738 0.086 0.000 1.244 117 Q HN 0.099 nan 8.270 nan 0.000 0.478 118 V N 5.957 125.940 119.914 0.115 0.000 2.555 118 V HA 0.113 4.233 4.120 -0.001 0.000 0.286 118 V C -1.718 174.455 176.094 0.132 0.000 1.044 118 V CA -1.161 61.208 62.300 0.115 0.000 1.026 118 V CB 0.916 32.841 31.823 0.169 0.000 0.981 118 V HN 0.558 nan 8.190 nan 0.000 0.480 119 P HA 0.039 nan 4.420 nan 0.000 0.252 119 P C 0.989 178.193 177.300 -0.160 0.000 1.727 119 P CA -0.312 62.699 63.100 -0.147 0.000 1.134 119 P CB -0.024 31.566 31.700 -0.184 0.000 1.876 120 W N 3.338 124.690 121.300 0.087 0.000 2.387 120 W HA -0.141 4.519 4.660 -0.001 0.000 0.272 120 W C 0.728 177.323 176.519 0.127 0.000 1.224 120 W CA 0.381 57.857 57.345 0.217 0.000 1.210 120 W CB -1.468 28.215 29.460 0.371 0.000 1.125 120 W HN 0.272 nan 8.180 nan 0.000 0.572 121 Q N 1.478 120.874 119.800 -0.673 0.000 2.364 121 Q HA -0.147 4.193 4.340 -0.001 0.000 0.209 121 Q C 2.479 178.324 176.000 -0.258 0.000 0.977 121 Q CA 2.058 57.541 55.803 -0.534 0.000 0.885 121 Q CB -0.308 27.993 28.738 -0.729 0.000 0.941 121 Q HN 0.426 nan 8.270 nan 0.000 0.464 122 S N -0.272 115.233 115.700 -0.325 0.000 2.442 122 S HA -0.107 4.362 4.470 -0.001 0.000 0.236 122 S C 1.432 175.829 174.600 -0.338 0.000 1.007 122 S CA 0.737 58.730 58.200 -0.346 0.000 0.965 122 S CB -0.397 62.562 63.200 -0.403 0.000 0.773 122 S HN 0.345 nan 8.310 nan 0.000 0.504 123 F N 1.960 121.882 119.950 -0.046 0.000 2.743 123 F HA 0.133 4.659 4.527 -0.001 0.000 0.297 123 F C 2.643 178.446 175.800 0.005 0.000 1.131 123 F CA 0.525 58.470 58.000 -0.091 0.000 1.426 123 F CB -0.756 38.091 39.000 -0.254 0.000 1.116 123 F HN 0.139 nan 8.300 nan 0.000 0.583 124 T N 1.117 115.773 114.554 0.169 0.000 2.699 124 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 124 T C -0.483 174.274 174.700 0.096 0.000 1.036 124 T CA 1.432 63.620 62.100 0.146 0.000 1.147 124 T CB -1.253 67.675 68.868 0.100 0.000 0.862 124 T HN 0.143 nan 8.240 nan 0.000 0.446 125 P HA 0.283 nan 4.420 nan 0.000 0.245 125 P C 0.871 178.202 177.300 0.052 0.000 1.212 125 P CA 0.529 63.654 63.100 0.041 0.000 0.774 125 P CB -0.055 31.653 31.700 0.013 0.000 0.999 126 I N -1.321 119.297 120.570 0.079 0.000 3.393 126 I HA 0.172 4.341 4.170 -0.001 0.000 0.250 126 I C 1.123 177.280 176.117 0.065 0.000 1.122 126 I CA -0.186 61.157 61.300 0.073 0.000 1.484 126 I CB -0.751 37.310 38.000 0.102 0.000 1.468 126 I HN -0.240 nan 8.210 nan 0.000 0.461 127 A N 1.248 124.122 122.820 0.091 0.000 2.466 127 A HA 0.138 4.458 4.320 -0.001 0.000 0.238 127 A C 1.149 178.770 177.584 0.062 0.000 1.074 127 A CA 0.003 52.080 52.037 0.065 0.000 0.774 127 A CB 0.139 19.194 19.000 0.092 0.000 1.015 127 A HN 0.285 nan 8.150 nan 0.000 0.498 128 R N 0.159 120.683 120.500 0.039 0.000 2.189 128 R HA 0.009 4.348 4.340 -0.001 0.000 0.218 128 R C 0.329 176.651 176.300 0.037 0.000 1.074 128 R CA 1.274 57.393 56.100 0.032 0.000 0.991 128 R CB 0.027 30.335 30.300 0.014 0.000 0.883 128 R HN 0.592 nan 8.270 nan 0.000 0.457 129 S N 0.131 115.856 115.700 0.042 0.000 2.619 129 S HA 0.303 4.773 4.470 -0.001 0.000 0.280 129 S C -1.049 173.605 174.600 0.090 0.000 1.150 129 S CA -0.590 57.638 58.200 0.047 0.000 0.978 129 S CB 2.028 65.230 63.200 0.003 0.000 1.041 129 S HN -0.019 nan 8.310 nan 0.000 0.485 130 T N 5.061 119.696 114.554 0.135 0.000 2.809 130 T HA 0.508 4.858 4.350 -0.001 0.000 0.284 130 T C -1.049 173.735 174.700 0.141 0.000 0.992 130 T CA -0.556 61.679 62.100 0.225 0.000 0.957 130 T CB 1.369 70.450 68.868 0.354 0.000 0.942 130 T HN 0.673 nan 8.240 nan 0.000 0.439 131 Q N 1.794 121.614 119.800 0.033 0.000 2.337 131 Q HA 0.566 4.906 4.340 -0.001 0.000 0.270 131 Q C -0.644 175.167 176.000 -0.315 0.000 1.043 131 Q CA -1.096 54.639 55.803 -0.114 0.000 0.794 131 Q CB 2.577 31.254 28.738 -0.102 0.000 1.281 131 Q HN 0.342 nan 8.270 nan 0.000 0.446 132 R N 1.789 121.946 120.500 -0.573 0.000 2.229 132 R HA 0.353 4.693 4.340 -0.001 0.000 0.332 132 R C -1.457 174.598 176.300 -0.408 0.000 0.989 132 R CA -0.334 55.301 56.100 -0.775 0.000 0.842 132 R CB 0.796 30.130 30.300 -1.611 0.000 1.119 132 R HN 0.395 nan 8.270 nan 0.000 0.456 133 V N 6.043 125.786 119.914 -0.285 0.000 2.432 133 V HA 0.126 4.246 4.120 -0.001 0.000 0.271 133 V C 0.806 176.819 176.094 -0.135 0.000 1.046 133 V CA -0.013 62.186 62.300 -0.168 0.000 0.945 133 V CB 1.237 32.985 31.823 -0.125 0.000 0.992 133 V HN 0.914 nan 8.190 nan 0.000 0.471 134 E N 3.817 123.957 120.200 -0.100 0.000 2.276 134 E HA 0.141 4.491 4.350 -0.001 0.000 0.193 134 E C 0.358 176.927 176.600 -0.051 0.000 0.983 134 E CA 0.338 56.698 56.400 -0.066 0.000 0.861 134 E CB 0.481 30.155 29.700 -0.044 0.000 0.817 134 E HN 0.566 nan 8.360 nan 0.000 0.485 135 R N 0.632 121.101 120.500 -0.052 0.000 2.621 135 R HA 0.199 4.538 4.340 -0.001 0.000 0.292 135 R C 0.364 176.634 176.300 -0.050 0.000 0.969 135 R CA -0.445 55.627 56.100 -0.045 0.000 0.887 135 R CB 1.688 31.966 30.300 -0.036 0.000 1.180 135 R HN -0.049 nan 8.270 nan 0.000 0.450 136 L N 2.580 123.771 121.223 -0.054 0.000 2.042 136 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 136 L C 1.441 178.283 176.870 -0.046 0.000 1.076 136 L CA 2.233 57.039 54.840 -0.057 0.000 0.749 136 L CB -0.383 41.636 42.059 -0.067 0.000 0.893 136 L HN 0.789 nan 8.230 nan 0.000 0.432 137 D N -1.780 118.597 120.400 -0.040 0.000 2.378 137 D HA -0.144 4.496 4.640 -0.001 0.000 0.227 137 D C 1.292 177.577 176.300 -0.025 0.000 1.012 137 D CA 0.671 54.651 54.000 -0.032 0.000 0.905 137 D CB -0.355 40.427 40.800 -0.029 0.000 0.895 137 D HN 0.340 nan 8.370 nan 0.000 0.532 138 K N 0.429 120.812 120.400 -0.027 0.000 2.358 138 K HA 0.095 4.415 4.320 -0.001 0.000 0.197 138 K C 1.940 178.531 176.600 -0.015 0.000 1.025 138 K CA 0.363 56.638 56.287 -0.020 0.000 1.104 138 K CB 1.044 33.528 32.500 -0.028 0.000 0.855 138 K HN 0.256 nan 8.250 nan 0.000 0.531 139 V N -1.722 118.180 119.914 -0.020 0.000 2.358 139 V HA -0.060 4.059 4.120 -0.001 0.000 0.246 139 V C 2.043 178.152 176.094 0.025 0.000 1.047 139 V CA 2.121 64.413 62.300 -0.013 0.000 1.035 139 V CB -1.288 30.518 31.823 -0.029 0.000 0.658 139 V HN 0.165 nan 8.190 nan 0.000 0.452 140 G N 0.018 108.836 108.800 0.030 0.000 2.404 140 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.215 140 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.215 140 G C 1.529 176.509 174.900 0.134 0.000 1.174 140 G CA 0.911 46.060 45.100 0.081 0.000 0.780 140 G HN 0.687 nan 8.290 nan 0.000 0.537 141 E N 0.590 120.836 120.200 0.078 0.000 2.085 141 E HA -0.110 4.240 4.350 -0.001 0.000 0.194 141 E C 2.675 179.341 176.600 0.110 0.000 0.994 141 E CA 1.310 57.765 56.400 0.092 0.000 0.801 141 E CB -0.312 29.413 29.700 0.042 0.000 0.743 141 E HN 0.333 nan 8.360 nan 0.000 0.453 142 A N 0.803 123.659 122.820 0.060 0.000 1.898 142 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 142 A C 2.189 179.805 177.584 0.054 0.000 1.181 142 A CA 1.327 53.380 52.037 0.027 0.000 0.620 142 A CB -0.531 18.456 19.000 -0.021 0.000 0.819 142 A HN 0.365 nan 8.150 nan 0.000 0.442 143 I N -1.289 119.355 120.570 0.123 0.000 2.315 143 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 143 I C 2.537 178.792 176.117 0.231 0.000 1.117 143 I CA 1.429 62.861 61.300 0.220 0.000 1.404 143 I CB -0.558 37.624 38.000 0.303 0.000 1.071 143 I HN 0.561 nan 8.210 nan 0.000 0.419 144 H N 1.264 120.345 119.070 0.020 0.000 2.319 144 H HA -0.276 4.280 4.556 -0.001 0.000 0.297 144 H C 2.131 177.343 175.328 -0.193 0.000 1.097 144 H CA 2.374 58.206 56.048 -0.361 0.000 1.285 144 H CB 0.167 29.813 29.762 -0.193 0.000 1.368 144 H HN 0.297 nan 8.280 nan 0.000 0.495 145 E N 0.853 120.948 120.200 -0.174 0.000 2.077 145 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 145 E C 2.342 178.854 176.600 -0.146 0.000 0.989 145 E CA 1.554 57.840 56.400 -0.189 0.000 0.800 145 E CB -0.509 29.154 29.700 -0.062 0.000 0.746 145 E HN 0.516 nan 8.360 nan 0.000 0.452 146 A N -0.291 122.477 122.820 -0.088 0.000 1.883 146 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 146 A C 2.144 179.621 177.584 -0.179 0.000 1.186 146 A CA 1.567 53.531 52.037 -0.121 0.000 0.624 146 A CB -1.030 17.895 19.000 -0.125 0.000 0.822 146 A HN 0.385 nan 8.150 nan 0.000 0.444 147 F N -0.258 119.583 119.950 -0.182 0.000 2.186 147 F HA -0.098 4.429 4.527 -0.001 0.000 0.299 147 F C 2.575 178.261 175.800 -0.190 0.000 1.090 147 F CA 1.603 59.501 58.000 -0.170 0.000 1.307 147 F CB -0.247 38.635 39.000 -0.196 0.000 1.019 147 F HN 0.105 nan 8.300 nan 0.000 0.489 148 R N -0.201 120.227 120.500 -0.120 0.000 2.083 148 R HA -0.160 4.179 4.340 -0.001 0.000 0.237 148 R C 2.140 178.392 176.300 -0.080 0.000 1.137 148 R CA 1.785 57.797 56.100 -0.147 0.000 0.951 148 R CB -0.913 29.227 30.300 -0.268 0.000 0.851 148 R HN 0.166 nan 8.270 nan 0.000 0.434 149 V N 0.713 120.574 119.914 -0.087 0.000 2.323 149 V HA -0.192 3.928 4.120 -0.001 0.000 0.244 149 V C 2.422 178.482 176.094 -0.057 0.000 1.041 149 V CA 1.861 64.127 62.300 -0.057 0.000 1.025 149 V CB -0.702 31.091 31.823 -0.051 0.000 0.656 149 V HN 0.417 nan 8.190 nan 0.000 0.451 150 A N -0.294 122.473 122.820 -0.089 0.000 1.940 150 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 150 A C 1.988 179.533 177.584 -0.065 0.000 1.176 150 A CA 1.855 53.834 52.037 -0.097 0.000 0.631 150 A CB -0.388 18.498 19.000 -0.190 0.000 0.814 150 A HN 0.653 nan 8.150 nan 0.000 0.446 151 E N -0.325 119.854 120.200 -0.036 0.000 2.444 151 E HA 0.222 4.572 4.350 -0.001 0.000 0.191 151 E C 1.074 177.659 176.600 -0.026 0.000 1.041 151 E CA -0.098 56.293 56.400 -0.015 0.000 0.883 151 E CB 0.236 29.968 29.700 0.053 0.000 1.024 151 E HN 0.565 nan 8.360 nan 0.000 0.470 152 G N 0.098 108.883 108.800 -0.026 0.000 2.489 152 G HA2 0.073 4.033 3.960 -0.001 0.000 0.271 152 G HA3 0.073 4.033 3.960 -0.001 0.000 0.271 152 G C -0.292 174.561 174.900 -0.080 0.000 1.427 152 G CA -0.450 44.664 45.100 0.023 0.000 1.057 152 G HN 0.253 nan 8.290 nan 0.000 0.532 153 H N 1.002 120.074 119.070 0.004 0.000 2.792 153 H HA 0.268 4.823 4.556 -0.001 0.000 0.298 153 H C -1.944 173.388 175.328 0.008 0.000 1.042 153 H CA -0.942 55.111 56.048 0.007 0.000 1.300 153 H CB 1.639 31.403 29.762 0.004 0.000 1.431 153 H HN 0.314 nan 8.280 nan 0.000 0.496 154 P HA 0.232 nan 4.420 nan 0.000 0.278 154 P C -0.133 177.133 177.300 -0.058 0.000 1.238 154 P CA -0.542 62.556 63.100 -0.003 0.000 0.794 154 P CB 1.268 32.981 31.700 0.021 0.000 0.955 155 A N 1.470 124.222 122.820 -0.113 0.000 2.346 155 A HA 0.661 4.980 4.320 -0.001 0.000 0.252 155 A C 0.652 178.216 177.584 -0.034 0.000 1.089 155 A CA 0.609 52.592 52.037 -0.089 0.000 0.797 155 A CB -0.314 18.620 19.000 -0.109 0.000 1.047 155 A HN 0.865 nan 8.150 nan 0.000 0.494 156 G N -0.441 108.342 108.800 -0.028 0.000 2.325 156 G HA2 0.527 4.487 3.960 -0.001 0.000 0.295 156 G HA3 0.527 4.487 3.960 -0.001 0.000 0.295 156 G C -3.496 171.393 174.900 -0.017 0.000 1.274 156 G CA -0.300 44.796 45.100 -0.007 0.000 0.857 156 G HN 0.636 nan 8.290 nan 0.000 0.499 157 P HA 0.578 nan 4.420 nan 0.000 0.286 157 P C -0.781 176.519 177.300 -0.001 0.000 1.261 157 P CA -0.161 62.946 63.100 0.012 0.000 0.821 157 P CB 1.997 33.721 31.700 0.039 0.000 1.013 158 A N 2.874 125.683 122.820 -0.019 0.000 2.371 158 A HA 0.584 4.903 4.320 -0.001 0.000 0.311 158 A C -1.790 175.810 177.584 0.028 0.000 1.068 158 A CA -0.615 51.409 52.037 -0.023 0.000 0.744 158 A CB 1.004 19.939 19.000 -0.108 0.000 1.239 158 A HN 0.553 nan 8.150 nan 0.000 0.435 159 Y N 2.221 122.469 120.300 -0.086 0.000 2.364 159 Y HA 0.590 5.140 4.550 -0.001 0.000 0.340 159 Y C -1.084 174.775 175.900 -0.068 0.000 0.975 159 Y CA -0.797 57.231 58.100 -0.119 0.000 1.089 159 Y CB 1.923 40.197 38.460 -0.311 0.000 1.192 159 Y HN 0.464 nan 8.280 nan 0.000 0.454 160 V N 5.980 125.470 119.914 -0.707 0.000 2.407 160 V HA 0.232 4.351 4.120 -0.001 0.000 0.291 160 V C -1.077 174.589 176.094 -0.712 0.000 1.018 160 V CA -0.841 61.152 62.300 -0.512 0.000 0.842 160 V CB 1.460 33.126 31.823 -0.262 0.000 0.996 160 V HN 0.774 nan 8.190 nan 0.000 0.426 161 D N 4.594 124.681 120.400 -0.522 0.000 2.280 161 D HA 0.592 5.232 4.640 -0.001 0.000 0.236 161 D C -0.650 175.525 176.300 -0.209 0.000 1.082 161 D CA -0.140 53.678 54.000 -0.303 0.000 0.834 161 D CB 0.938 41.690 40.800 -0.080 0.000 1.100 161 D HN 0.484 nan 8.370 nan 0.000 0.486 162 I N 5.912 126.421 120.570 -0.102 0.000 2.439 162 I HA 0.304 4.474 4.170 -0.001 0.000 0.283 162 I C -2.166 173.968 176.117 0.029 0.000 1.023 162 I CA -2.295 58.971 61.300 -0.056 0.000 1.100 162 I CB 1.939 39.914 38.000 -0.043 0.000 1.238 162 I HN 0.223 nan 8.210 nan 0.000 0.445 163 P HA -0.049 nan 4.420 nan 0.000 0.264 163 P C 0.624 178.009 177.300 0.143 0.000 1.193 163 P CA 0.097 63.264 63.100 0.112 0.000 0.763 163 P CB 0.340 32.079 31.700 0.065 0.000 0.810 164 F N 3.035 123.001 119.950 0.028 0.000 2.502 164 F HA -0.109 4.417 4.527 -0.001 0.000 0.298 164 F C 1.620 177.406 175.800 -0.024 0.000 1.111 164 F CA 0.634 58.659 58.000 0.040 0.000 1.445 164 F CB -0.798 38.276 39.000 0.123 0.000 1.081 164 F HN 0.185 nan 8.300 nan 0.000 0.558 165 D N 2.173 122.249 120.400 -0.540 0.000 2.158 165 D HA -0.264 4.375 4.640 -0.001 0.000 0.197 165 D C 1.929 178.023 176.300 -0.343 0.000 0.995 165 D CA 1.597 55.268 54.000 -0.548 0.000 0.846 165 D CB -0.990 39.590 40.800 -0.366 0.000 0.941 165 D HN 0.487 nan 8.370 nan 0.000 0.456 166 L N 0.974 122.078 121.223 -0.198 0.000 2.275 166 L HA -0.096 4.244 4.340 -0.001 0.000 0.215 166 L C 2.862 179.632 176.870 -0.168 0.000 1.119 166 L CA 1.535 56.284 54.840 -0.152 0.000 0.790 166 L CB -0.880 41.124 42.059 -0.092 0.000 0.919 166 L HN 0.238 nan 8.230 nan 0.000 0.443 167 T N -2.972 111.480 114.554 -0.170 0.000 2.951 167 T HA -0.007 4.343 4.350 -0.001 0.000 0.268 167 T C 1.831 176.310 174.700 -0.368 0.000 1.073 167 T CA 0.853 62.861 62.100 -0.154 0.000 1.134 167 T CB 0.006 68.894 68.868 0.033 0.000 0.884 167 T HN 0.288 nan 8.240 nan 0.000 0.479 168 A N 1.321 123.725 122.820 -0.693 0.000 1.984 168 A HA 0.211 4.531 4.320 -0.001 0.000 0.214 168 A C 0.996 178.326 177.584 -0.423 0.000 1.173 168 A CA 0.137 51.611 52.037 -0.938 0.000 0.673 168 A CB -0.335 17.900 19.000 -1.275 0.000 0.830 168 A HN 0.469 nan 8.150 nan 0.000 0.453 169 D N 0.585 120.798 120.400 -0.313 0.000 2.362 169 D HA 0.337 4.976 4.640 -0.001 0.000 0.238 169 D C 0.101 176.315 176.300 -0.142 0.000 1.212 169 D CA 0.645 54.529 54.000 -0.193 0.000 0.902 169 D CB 0.353 41.056 40.800 -0.161 0.000 1.180 169 D HN 0.430 nan 8.370 nan 0.000 0.445 170 Q N -0.047 119.692 119.800 -0.101 0.000 2.413 170 Q HA 0.776 5.116 4.340 -0.001 0.000 0.276 170 Q C -0.726 175.237 176.000 -0.061 0.000 1.099 170 Q CA -0.733 55.025 55.803 -0.075 0.000 0.814 170 Q CB 3.070 31.773 28.738 -0.059 0.000 1.379 170 Q HN 0.425 nan 8.270 nan 0.000 0.436 171 I N 0.088 120.626 120.570 -0.053 0.000 2.908 171 I HA 0.229 4.398 4.170 -0.001 0.000 0.300 171 I C -1.608 174.486 176.117 -0.040 0.000 1.385 171 I CA -0.713 60.560 61.300 -0.045 0.000 1.004 171 I CB 2.434 40.405 38.000 -0.047 0.000 1.309 171 I HN 0.662 nan 8.210 nan 0.000 0.449 172 D N 3.172 123.551 120.400 -0.034 0.000 2.458 172 D HA 0.017 4.657 4.640 -0.001 0.000 0.243 172 D C 0.396 176.676 176.300 -0.033 0.000 1.146 172 D CA 0.321 54.302 54.000 -0.031 0.000 0.877 172 D CB 0.846 41.629 40.800 -0.027 0.000 1.176 172 D HN 0.526 nan 8.370 nan 0.000 0.461 173 D N 2.999 123.378 120.400 -0.034 0.000 2.339 173 D HA -0.065 4.574 4.640 -0.001 0.000 0.217 173 D C 0.220 176.499 176.300 -0.035 0.000 1.050 173 D CA -0.234 53.744 54.000 -0.037 0.000 0.856 173 D CB -0.220 40.555 40.800 -0.042 0.000 0.922 173 D HN 0.262 nan 8.370 nan 0.000 0.518 174 K N 0.695 121.076 120.400 -0.031 0.000 2.453 174 K HA 0.158 4.477 4.320 -0.001 0.000 0.280 174 K C 0.694 177.276 176.600 -0.030 0.000 1.045 174 K CA 0.691 56.960 56.287 -0.029 0.000 1.059 174 K CB -0.016 32.469 32.500 -0.025 0.000 0.901 174 K HN 0.130 nan 8.250 nan 0.000 0.475 175 A N 3.379 126.179 122.820 -0.032 0.000 3.132 175 A HA -0.220 4.099 4.320 -0.001 0.000 0.266 175 A C 0.963 178.525 177.584 -0.036 0.000 1.216 175 A CA 1.304 53.320 52.037 -0.034 0.000 0.985 175 A CB -2.058 16.924 19.000 -0.031 0.000 1.102 175 A HN 0.892 nan 8.150 nan 0.000 0.833 176 L N -0.722 120.479 121.223 -0.035 0.000 2.072 176 L HA 0.074 4.413 4.340 -0.001 0.000 0.205 176 L C 0.837 177.691 176.870 -0.026 0.000 1.079 176 L CA 1.571 56.393 54.840 -0.031 0.000 0.752 176 L CB 0.095 42.134 42.059 -0.033 0.000 0.906 176 L HN 0.328 nan 8.230 nan 0.000 0.436 177 V N 2.072 121.965 119.914 -0.034 0.000 2.389 177 V HA 0.227 4.347 4.120 -0.001 0.000 0.264 177 V C -2.108 173.971 176.094 -0.026 0.000 1.049 177 V CA -1.412 60.872 62.300 -0.027 0.000 0.932 177 V CB 0.399 32.178 31.823 -0.072 0.000 1.011 177 V HN 0.181 nan 8.190 nan 0.000 0.475 178 P HA 0.281 nan 4.420 nan 0.000 0.267 178 P C -0.281 177.026 177.300 0.012 0.000 1.209 178 P CA 0.087 63.153 63.100 -0.058 0.000 0.763 178 P CB 0.477 32.013 31.700 -0.274 0.000 0.816 179 R N 1.888 122.375 120.500 -0.022 0.000 2.732 179 R HA 0.602 4.942 4.340 -0.001 0.000 0.278 179 R C 0.730 177.037 176.300 0.011 0.000 0.976 179 R CA -0.482 55.613 56.100 -0.008 0.000 0.963 179 R CB 1.501 31.778 30.300 -0.039 0.000 1.150 179 R HN 0.704 nan 8.270 nan 0.000 0.478 180 G N 0.318 109.134 108.800 0.027 0.000 2.147 180 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.244 180 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.244 180 G C 0.101 175.023 174.900 0.037 0.000 1.005 180 G CA 0.171 45.284 45.100 0.022 0.000 0.713 180 G HN 0.810 nan 8.290 nan 0.000 0.515 181 A N -0.247 122.615 122.820 0.069 0.000 2.407 181 A HA 0.701 5.021 4.320 -0.001 0.000 0.248 181 A C 0.636 178.259 177.584 0.064 0.000 1.082 181 A CA 1.077 53.159 52.037 0.075 0.000 0.785 181 A CB 0.552 19.627 19.000 0.125 0.000 1.020 181 A HN 0.832 nan 8.150 nan 0.000 0.489 182 T N 3.122 117.706 114.554 0.051 0.000 2.791 182 T HA 0.396 4.746 4.350 -0.001 0.000 0.288 182 T C 0.022 174.747 174.700 0.043 0.000 0.999 182 T CA -0.423 61.703 62.100 0.043 0.000 0.952 182 T CB 0.675 69.562 68.868 0.032 0.000 0.938 182 T HN 0.676 nan 8.240 nan 0.000 0.444 183 R N 1.673 122.200 120.500 0.044 0.000 2.539 183 R HA 0.590 4.929 4.340 -0.001 0.000 0.275 183 R C 0.650 176.972 176.300 0.036 0.000 1.077 183 R CA -0.656 55.469 56.100 0.041 0.000 1.097 183 R CB 0.546 30.873 30.300 0.045 0.000 1.018 183 R HN 0.753 nan 8.270 nan 0.000 0.483 184 A N 3.091 125.930 122.820 0.031 0.000 2.587 184 A HA -0.044 4.275 4.320 -0.001 0.000 0.233 184 A C 0.015 177.614 177.584 0.026 0.000 1.049 184 A CA 0.272 52.324 52.037 0.025 0.000 0.754 184 A CB 0.048 19.059 19.000 0.018 0.000 0.977 184 A HN 0.633 nan 8.150 nan 0.000 0.509 185 K N 1.309 121.725 120.400 0.026 0.000 2.469 185 K HA 0.081 4.400 4.320 -0.001 0.000 0.274 185 K C 1.137 177.744 176.600 0.011 0.000 0.983 185 K CA 0.730 57.034 56.287 0.027 0.000 0.974 185 K CB 0.359 32.882 32.500 0.038 0.000 0.913 185 K HN 0.831 nan 8.250 nan 0.000 0.493 186 S N -0.425 115.277 115.700 0.003 0.000 2.556 186 S HA -0.016 4.453 4.470 -0.001 0.000 0.216 186 S C 0.892 175.460 174.600 -0.055 0.000 0.970 186 S CA -0.383 57.791 58.200 -0.044 0.000 0.912 186 S CB -0.142 63.049 63.200 -0.014 0.000 0.790 186 S HN 0.443 nan 8.310 nan 0.000 0.504 187 V N 1.023 120.925 119.914 -0.020 0.000 1.984 187 V HA 0.444 4.563 4.120 -0.001 0.000 0.272 187 V C 0.166 176.216 176.094 -0.072 0.000 1.706 187 V CA -0.813 61.452 62.300 -0.059 0.000 1.644 187 V CB -1.252 30.557 31.823 -0.024 0.000 1.509 187 V HN 0.396 nan 8.190 nan 0.000 0.511 188 L N 3.332 124.517 121.223 -0.062 0.000 2.477 188 L HA 0.410 4.750 4.340 -0.001 0.000 0.272 188 L C 0.195 177.026 176.870 -0.065 0.000 1.157 188 L CA 0.423 55.264 54.840 0.001 0.000 0.889 188 L CB -0.329 41.715 42.059 -0.024 0.000 1.158 188 L HN 0.605 nan 8.230 nan 0.000 0.473 189 H N 3.769 122.855 119.070 0.027 0.000 2.548 189 H HA 0.630 5.186 4.556 -0.001 0.000 0.331 189 H C 0.239 175.609 175.328 0.070 0.000 1.093 189 H CA 0.156 56.233 56.048 0.048 0.000 1.367 189 H CB 1.078 30.853 29.762 0.022 0.000 1.455 189 H HN 0.880 nan 8.280 nan 0.000 0.519 190 A N 4.327 127.275 122.820 0.213 0.000 2.332 190 A HA 0.369 4.689 4.320 -0.001 0.000 0.258 190 A C -2.182 175.492 177.584 0.150 0.000 1.087 190 A CA -1.482 50.681 52.037 0.210 0.000 0.802 190 A CB -0.234 19.002 19.000 0.393 0.000 1.042 190 A HN 0.543 nan 8.150 nan 0.000 0.489 191 P HA 0.078 nan 4.420 nan 0.000 0.266 191 P C 0.175 177.514 177.300 0.065 0.000 1.195 191 P CA 0.103 63.246 63.100 0.072 0.000 0.768 191 P CB 0.286 32.019 31.700 0.055 0.000 0.838 192 N N 2.092 120.813 118.700 0.035 0.000 2.149 192 N HA -0.220 4.519 4.740 -0.001 0.000 0.188 192 N C 1.523 177.042 175.510 0.015 0.000 1.019 192 N CA 0.814 53.871 53.050 0.012 0.000 0.857 192 N CB -0.178 38.308 38.487 -0.003 0.000 0.997 192 N HN 0.616 nan 8.380 nan 0.000 0.426 193 E N 1.429 121.643 120.200 0.023 0.000 2.153 193 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 193 E C 0.651 177.277 176.600 0.044 0.000 0.988 193 E CA 1.268 57.682 56.400 0.023 0.000 0.811 193 E CB -0.242 29.469 29.700 0.019 0.000 0.746 193 E HN 0.369 nan 8.360 nan 0.000 0.466 194 D N 1.225 121.670 120.400 0.074 0.000 2.149 194 D HA -0.065 4.574 4.640 -0.001 0.000 0.201 194 D C 2.274 178.684 176.300 0.182 0.000 0.972 194 D CA 1.028 55.105 54.000 0.128 0.000 0.835 194 D CB -0.158 40.739 40.800 0.161 0.000 0.966 194 D HN 0.087 nan 8.370 nan 0.000 0.476 195 V N 1.248 121.234 119.914 0.119 0.000 2.287 195 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 195 V C 2.465 178.544 176.094 -0.024 0.000 1.053 195 V CA 1.635 63.915 62.300 -0.034 0.000 1.027 195 V CB -0.410 31.301 31.823 -0.186 0.000 0.646 195 V HN 0.150 nan 8.190 nan 0.000 0.447 196 R N -0.180 120.313 120.500 -0.013 0.000 2.096 196 R HA -0.209 4.131 4.340 -0.001 0.000 0.235 196 R C 2.373 178.673 176.300 0.000 0.000 1.127 196 R CA 1.690 57.779 56.100 -0.018 0.000 0.968 196 R CB -0.307 29.984 30.300 -0.015 0.000 0.861 196 R HN 0.567 nan 8.270 nan 0.000 0.440 197 E N 1.090 121.306 120.200 0.028 0.000 2.051 197 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 197 E C 1.820 178.439 176.600 0.033 0.000 0.991 197 E CA 1.635 58.051 56.400 0.026 0.000 0.799 197 E CB -0.164 29.561 29.700 0.042 0.000 0.748 197 E HN 0.293 nan 8.360 nan 0.000 0.449 198 A N 0.905 123.793 122.820 0.112 0.000 1.902 198 A HA -0.064 4.256 4.320 -0.001 0.000 0.217 198 A C 2.473 180.095 177.584 0.063 0.000 1.181 198 A CA 2.190 54.331 52.037 0.173 0.000 0.623 198 A CB -1.128 18.109 19.000 0.394 0.000 0.818 198 A HN 0.414 nan 8.150 nan 0.000 0.443 199 A N -0.096 122.736 122.820 0.019 0.000 1.883 199 A HA 0.118 4.438 4.320 -0.001 0.000 0.217 199 A C 2.523 180.078 177.584 -0.047 0.000 1.186 199 A CA 2.253 54.273 52.037 -0.029 0.000 0.624 199 A CB -1.073 17.885 19.000 -0.071 0.000 0.822 199 A HN 1.103 nan 8.150 nan 0.000 0.444 200 A N -1.238 121.549 122.820 -0.055 0.000 1.902 200 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 200 A C 2.141 179.638 177.584 -0.144 0.000 1.181 200 A CA 1.653 53.650 52.037 -0.067 0.000 0.623 200 A CB -0.461 18.509 19.000 -0.051 0.000 0.818 200 A HN 0.528 nan 8.150 nan 0.000 0.443 201 Q N -0.471 119.173 119.800 -0.260 0.000 2.079 201 Q HA -0.056 4.284 4.340 -0.001 0.000 0.200 201 Q C 2.203 177.798 176.000 -0.676 0.000 0.974 201 Q CA 1.051 56.502 55.803 -0.586 0.000 0.840 201 Q CB -0.417 27.738 28.738 -0.972 0.000 0.898 201 Q HN 0.708 nan 8.270 nan 0.000 0.430 202 L N -0.011 120.962 121.223 -0.416 0.000 2.046 202 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 202 L C 2.330 179.185 176.870 -0.024 0.000 1.077 202 L CA 0.808 55.578 54.840 -0.117 0.000 0.747 202 L CB -0.196 41.905 42.059 0.069 0.000 0.896 202 L HN 0.044 nan 8.230 nan 0.000 0.432 203 V N -0.528 119.377 119.914 -0.015 0.000 2.453 203 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 203 V C 2.592 178.692 176.094 0.009 0.000 1.048 203 V CA 1.501 63.832 62.300 0.052 0.000 1.049 203 V CB -0.582 31.302 31.823 0.100 0.000 0.672 203 V HN 0.464 nan 8.190 nan 0.000 0.457 204 A N 0.213 123.004 122.820 -0.049 0.000 1.969 204 A HA 0.224 4.544 4.320 -0.001 0.000 0.218 204 A C 1.620 179.189 177.584 -0.025 0.000 1.169 204 A CA 0.939 52.950 52.037 -0.043 0.000 0.635 204 A CB -0.556 18.402 19.000 -0.070 0.000 0.810 204 A HN 0.581 nan 8.150 nan 0.000 0.445 205 A N -0.199 122.598 122.820 -0.039 0.000 2.520 205 A HA 0.326 4.645 4.320 -0.001 0.000 0.235 205 A C 1.087 178.709 177.584 0.063 0.000 1.065 205 A CA 0.082 52.141 52.037 0.037 0.000 0.764 205 A CB 0.314 19.379 19.000 0.108 0.000 1.002 205 A HN 0.271 nan 8.150 nan 0.000 0.502 206 K N 0.788 121.233 120.400 0.074 0.000 2.262 206 K HA -0.023 4.297 4.320 -0.001 0.000 0.200 206 K C -0.180 176.471 176.600 0.085 0.000 1.049 206 K CA 1.350 57.678 56.287 0.069 0.000 0.979 206 K CB -0.159 32.376 32.500 0.058 0.000 0.773 206 K HN 0.906 nan 8.250 nan 0.000 0.474 207 N N 0.430 119.193 118.700 0.106 0.000 2.687 207 N HA 0.158 4.898 4.740 -0.001 0.000 0.275 207 N C -2.946 172.643 175.510 0.132 0.000 1.789 207 N CA -1.320 51.795 53.050 0.110 0.000 0.806 207 N CB 1.011 39.558 38.487 0.101 0.000 1.256 207 N HN -0.109 nan 8.380 nan 0.000 0.500 208 P HA 0.184 nan 4.420 nan 0.000 0.274 208 P C -0.597 176.767 177.300 0.106 0.000 1.246 208 P CA -0.387 62.834 63.100 0.201 0.000 0.795 208 P CB 1.695 33.558 31.700 0.272 0.000 1.006 209 V N 1.977 121.918 119.914 0.045 0.000 2.925 209 V HA 0.443 4.563 4.120 -0.001 0.000 0.311 209 V C -0.616 175.431 176.094 -0.077 0.000 1.104 209 V CA -1.121 61.158 62.300 -0.035 0.000 0.954 209 V CB 1.946 33.730 31.823 -0.065 0.000 1.022 209 V HN 0.306 nan 8.190 nan 0.000 0.427 210 I N 6.238 126.746 120.570 -0.103 0.000 2.321 210 I HA 0.433 4.603 4.170 -0.001 0.000 0.291 210 I C -0.429 175.587 176.117 -0.169 0.000 0.998 210 I CA -0.309 60.918 61.300 -0.122 0.000 1.227 210 I CB 1.548 39.473 38.000 -0.125 0.000 1.368 210 I HN 0.418 nan 8.210 nan 0.000 0.466 211 L N 7.037 128.160 121.223 -0.167 0.000 2.276 211 L HA 0.709 5.048 4.340 -0.001 0.000 0.286 211 L C -0.231 176.554 176.870 -0.142 0.000 1.024 211 L CA -0.333 54.398 54.840 -0.183 0.000 0.826 211 L CB 0.918 42.841 42.059 -0.227 0.000 1.211 211 L HN 0.725 nan 8.230 nan 0.000 0.422 212 A N 4.063 126.802 122.820 -0.134 0.000 2.287 212 A HA 0.761 5.081 4.320 -0.001 0.000 0.317 212 A C 0.096 177.631 177.584 -0.081 0.000 1.220 212 A CA -0.088 51.895 52.037 -0.089 0.000 0.835 212 A CB 1.186 20.138 19.000 -0.080 0.000 1.180 212 A HN 0.792 nan 8.150 nan 0.000 0.500 213 G N 0.681 109.452 108.800 -0.049 0.000 2.671 213 G HA2 0.460 4.420 3.960 -0.001 0.000 0.275 213 G HA3 0.460 4.420 3.960 -0.001 0.000 0.275 213 G C 0.993 175.890 174.900 -0.006 0.000 1.368 213 G CA 0.021 45.101 45.100 -0.033 0.000 1.044 213 G HN 1.089 nan 8.290 nan 0.000 0.543 214 G N -0.598 108.211 108.800 0.015 0.000 2.448 214 G HA2 0.049 4.009 3.960 -0.001 0.000 0.219 214 G HA3 0.049 4.009 3.960 -0.001 0.000 0.219 214 G C 1.648 176.562 174.900 0.022 0.000 1.127 214 G CA 1.479 46.597 45.100 0.031 0.000 0.766 214 G HN 0.935 nan 8.290 nan 0.000 0.552 215 G N 0.391 109.211 108.800 0.034 0.000 2.448 215 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.219 215 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.219 215 G C 1.678 176.598 174.900 0.033 0.000 1.127 215 G CA 1.030 46.156 45.100 0.043 0.000 0.766 215 G HN 0.329 nan 8.290 nan 0.000 0.552 216 V N 1.254 121.181 119.914 0.021 0.000 2.427 216 V HA -0.101 4.018 4.120 -0.001 0.000 0.248 216 V C 3.240 179.341 176.094 0.012 0.000 1.051 216 V CA 1.834 64.145 62.300 0.018 0.000 1.048 216 V CB -0.628 31.202 31.823 0.012 0.000 0.666 216 V HN 0.470 nan 8.190 nan 0.000 0.456 217 A N 0.110 122.930 122.820 0.000 0.000 1.873 217 A HA -0.233 4.087 4.320 -0.001 0.000 0.215 217 A C 2.412 179.982 177.584 -0.025 0.000 1.186 217 A CA 1.936 53.962 52.037 -0.018 0.000 0.616 217 A CB -0.553 18.425 19.000 -0.037 0.000 0.823 217 A HN 0.456 nan 8.150 nan 0.000 0.442 218 R N -0.549 119.939 120.500 -0.020 0.000 2.096 218 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 218 R C 2.368 178.682 176.300 0.023 0.000 1.127 218 R CA 1.634 57.727 56.100 -0.011 0.000 0.968 218 R CB -0.305 29.994 30.300 -0.002 0.000 0.861 218 R HN 0.481 nan 8.270 nan 0.000 0.440 219 S N -0.858 114.863 115.700 0.035 0.000 2.474 219 S HA -0.004 4.466 4.470 -0.001 0.000 0.235 219 S C 0.942 175.555 174.600 0.022 0.000 0.997 219 S CA 1.040 59.262 58.200 0.037 0.000 0.949 219 S CB -0.133 63.088 63.200 0.034 0.000 0.766 219 S HN 0.710 nan 8.310 nan 0.000 0.517 220 G N 0.045 108.853 108.800 0.014 0.000 2.182 220 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.248 220 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.248 220 G C 0.466 175.376 174.900 0.016 0.000 1.042 220 G CA 0.187 45.294 45.100 0.011 0.000 0.775 220 G HN 0.819 nan 8.290 nan 0.000 0.501 221 G N -0.452 108.361 108.800 0.021 0.000 3.314 221 G HA2 0.382 4.341 3.960 -0.001 0.000 0.238 221 G HA3 0.382 4.341 3.960 -0.001 0.000 0.238 221 G C 1.421 176.343 174.900 0.036 0.000 1.184 221 G CA 1.322 46.439 45.100 0.028 0.000 0.806 221 G HN 0.569 nan 8.290 nan 0.000 0.536 222 S N 0.488 116.208 115.700 0.034 0.000 2.368 222 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 222 S C 2.032 176.664 174.600 0.053 0.000 1.030 222 S CA 1.302 59.530 58.200 0.047 0.000 0.999 222 S CB -0.063 63.156 63.200 0.031 0.000 0.844 222 S HN 0.591 nan 8.310 nan 0.000 0.459 223 E N 0.916 121.139 120.200 0.038 0.000 2.051 223 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 223 E C 2.277 178.905 176.600 0.046 0.000 0.991 223 E CA 0.974 57.397 56.400 0.039 0.000 0.799 223 E CB -0.227 29.490 29.700 0.029 0.000 0.748 223 E HN 0.493 nan 8.360 nan 0.000 0.449 224 A N 0.687 123.530 122.820 0.039 0.000 1.933 224 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 224 A C 2.102 179.714 177.584 0.046 0.000 1.175 224 A CA 1.077 53.135 52.037 0.035 0.000 0.628 224 A CB -0.524 18.491 19.000 0.025 0.000 0.814 224 A HN 0.294 nan 8.150 nan 0.000 0.444 225 L N -0.757 120.502 121.223 0.059 0.000 2.046 225 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 225 L C 2.217 179.151 176.870 0.107 0.000 1.077 225 L CA 1.987 56.864 54.840 0.061 0.000 0.747 225 L CB -0.632 41.469 42.059 0.069 0.000 0.896 225 L HN 0.338 nan 8.230 nan 0.000 0.432 226 L N 0.055 121.379 121.223 0.169 0.000 2.012 226 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 226 L C 2.607 179.555 176.870 0.130 0.000 1.073 226 L CA 2.302 57.262 54.840 0.201 0.000 0.748 226 L CB -0.894 41.224 42.059 0.099 0.000 0.891 226 L HN 0.430 nan 8.230 nan 0.000 0.431 227 K N -1.016 119.438 120.400 0.090 0.000 2.057 227 K HA -0.223 4.097 4.320 -0.001 0.000 0.207 227 K C 2.167 178.808 176.600 0.068 0.000 1.049 227 K CA 1.839 58.173 56.287 0.079 0.000 0.931 227 K CB -0.343 32.190 32.500 0.055 0.000 0.714 227 K HN 0.319 nan 8.250 nan 0.000 0.440 228 L N 0.996 122.245 121.223 0.043 0.000 1.994 228 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 228 L C 2.242 179.130 176.870 0.029 0.000 1.071 228 L CA 2.203 57.058 54.840 0.025 0.000 0.745 228 L CB -0.858 41.207 42.059 0.011 0.000 0.892 228 L HN 0.233 nan 8.230 nan 0.000 0.431 229 A N -0.856 121.957 122.820 -0.012 0.000 1.902 229 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 229 A C 2.183 179.766 177.584 -0.003 0.000 1.181 229 A CA 1.899 53.888 52.037 -0.080 0.000 0.623 229 A CB -0.673 18.143 19.000 -0.307 0.000 0.818 229 A HN 0.640 nan 8.150 nan 0.000 0.443 230 E N -1.106 119.126 120.200 0.053 0.000 2.106 230 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 230 E C 2.046 178.780 176.600 0.223 0.000 0.984 230 E CA 1.192 57.682 56.400 0.150 0.000 0.806 230 E CB -0.228 29.608 29.700 0.226 0.000 0.750 230 E HN 0.757 nan 8.360 nan 0.000 0.458 231 M N 1.029 120.739 119.600 0.182 0.000 2.132 231 M HA -0.138 4.341 4.480 -0.001 0.000 0.263 231 M C 2.233 178.726 176.300 0.321 0.000 1.065 231 M CA 1.469 56.910 55.300 0.236 0.000 1.122 231 M CB 0.158 32.856 32.600 0.165 0.000 1.365 231 M HN 0.099 nan 8.290 nan 0.000 0.411 232 V N -2.430 117.634 119.914 0.251 0.000 3.052 232 V HA 0.345 4.465 4.120 -0.001 0.000 0.254 232 V C 1.213 177.429 176.094 0.203 0.000 1.100 232 V CA 0.570 63.038 62.300 0.281 0.000 1.112 232 V CB -1.289 30.657 31.823 0.205 0.000 0.738 232 V HN 0.686 nan 8.190 nan 0.000 0.469 233 G N 0.298 109.208 108.800 0.183 0.000 2.324 233 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.292 233 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.292 233 G C -0.293 174.707 174.900 0.167 0.000 1.079 233 G CA 0.398 45.620 45.100 0.203 0.000 1.026 233 G HN 1.390 nan 8.290 nan 0.000 0.506 234 V N 1.514 121.483 119.914 0.091 0.000 2.487 234 V HA 0.807 4.926 4.120 -0.001 0.000 0.298 234 V C -1.955 174.124 176.094 -0.024 0.000 1.028 234 V CA -2.097 60.239 62.300 0.059 0.000 0.860 234 V CB 2.218 34.073 31.823 0.053 0.000 0.991 234 V HN 0.243 nan 8.190 nan 0.000 0.427 235 P HA 0.147 nan 4.420 nan 0.000 0.269 235 P C -0.846 176.347 177.300 -0.178 0.000 1.215 235 P CA 0.166 63.237 63.100 -0.048 0.000 0.780 235 P CB 0.965 32.684 31.700 0.031 0.000 0.898 236 V N 3.323 123.056 119.914 -0.303 0.000 2.417 236 V HA 0.266 4.386 4.120 -0.001 0.000 0.291 236 V C 0.452 176.396 176.094 -0.251 0.000 1.024 236 V CA -0.635 61.420 62.300 -0.408 0.000 0.861 236 V CB 1.868 33.147 31.823 -0.907 0.000 0.985 236 V HN 0.271 nan 8.190 nan 0.000 0.436 237 V N 4.283 124.062 119.914 -0.225 0.000 2.581 237 V HA 0.711 4.831 4.120 -0.001 0.000 0.303 237 V C 0.379 176.338 176.094 -0.225 0.000 1.041 237 V CA -0.305 61.863 62.300 -0.220 0.000 0.907 237 V CB 2.374 34.074 31.823 -0.205 0.000 0.994 237 V HN 1.043 nan 8.190 nan 0.000 0.442 238 T N -0.348 114.056 114.554 -0.250 0.000 2.940 238 T HA 0.660 5.010 4.350 -0.001 0.000 0.288 238 T C 0.059 174.625 174.700 -0.224 0.000 1.045 238 T CA -0.303 61.665 62.100 -0.219 0.000 1.018 238 T CB 1.766 70.505 68.868 -0.214 0.000 1.151 238 T HN 0.817 nan 8.240 nan 0.000 0.529 239 T N -1.495 112.954 114.554 -0.174 0.000 2.788 239 T HA 0.330 4.679 4.350 -0.001 0.000 0.280 239 T C 1.473 176.054 174.700 -0.198 0.000 0.984 239 T CA -0.048 61.957 62.100 -0.158 0.000 0.972 239 T CB 0.833 69.645 68.868 -0.092 0.000 1.039 239 T HN 0.644 nan 8.240 nan 0.000 0.530 240 S N -0.287 115.288 115.700 -0.208 0.000 2.423 240 S HA -0.085 4.385 4.470 -0.001 0.000 0.231 240 S C 2.021 176.489 174.600 -0.220 0.000 1.014 240 S CA 1.572 59.565 58.200 -0.345 0.000 0.965 240 S CB -1.207 61.720 63.200 -0.455 0.000 0.785 240 S HN 0.957 nan 8.310 nan 0.000 0.495 241 T N -2.367 112.141 114.554 -0.076 0.000 3.067 241 T HA 0.210 4.560 4.350 -0.001 0.000 0.257 241 T C 1.766 176.484 174.700 0.031 0.000 1.105 241 T CA 0.843 62.974 62.100 0.051 0.000 1.104 241 T CB -0.224 68.724 68.868 0.134 0.000 0.925 241 T HN 0.305 nan 8.240 nan 0.000 0.498 242 G N 1.178 109.954 108.800 -0.040 0.000 2.683 242 G HA2 0.450 4.410 3.960 -0.001 0.000 0.213 242 G HA3 0.450 4.410 3.960 -0.001 0.000 0.213 242 G C 0.739 175.596 174.900 -0.072 0.000 1.142 242 G CA 0.019 45.090 45.100 -0.047 0.000 0.793 242 G HN 0.810 nan 8.290 nan 0.000 0.534 243 A N -0.178 122.565 122.820 -0.128 0.000 2.584 243 A HA 0.451 4.771 4.320 -0.001 0.000 0.239 243 A C 1.733 179.277 177.584 -0.068 0.000 1.043 243 A CA 1.216 53.158 52.037 -0.157 0.000 0.756 243 A CB -0.358 18.499 19.000 -0.239 0.000 0.963 243 A HN 1.672 nan 8.150 nan 0.000 0.511 244 G N 0.350 109.126 108.800 -0.041 0.000 2.234 244 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.235 244 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.235 244 G C 1.109 176.017 174.900 0.014 0.000 0.997 244 G CA 0.702 45.802 45.100 -0.001 0.000 0.623 244 G HN 2.156 nan 8.290 nan 0.000 0.514 245 V N -2.388 117.539 119.914 0.022 0.000 2.759 245 V HA 0.470 4.590 4.120 -0.001 0.000 0.256 245 V C 1.129 177.287 176.094 0.107 0.000 1.080 245 V CA 1.631 63.958 62.300 0.045 0.000 1.101 245 V CB -0.370 31.473 31.823 0.034 0.000 0.698 245 V HN 0.773 nan 8.190 nan 0.000 0.477 246 F N 2.389 122.299 119.950 -0.066 0.000 2.493 246 F HA 0.727 5.254 4.527 -0.001 0.000 0.329 246 F C -2.642 173.135 175.800 -0.039 0.000 1.126 246 F CA -3.142 54.812 58.000 -0.077 0.000 0.937 246 F CB 1.934 40.862 39.000 -0.120 0.000 1.146 246 F HN -0.084 nan 8.300 nan 0.000 0.442 247 P HA 0.034 nan 4.420 nan 0.000 0.262 247 P C -0.319 176.901 177.300 -0.133 0.000 1.199 247 P CA 0.384 63.340 63.100 -0.240 0.000 0.763 247 P CB 0.587 32.148 31.700 -0.230 0.000 0.790 248 E N 1.044 121.267 120.200 0.038 0.000 2.511 248 E HA -0.057 4.292 4.350 -0.001 0.000 0.196 248 E C 0.997 177.745 176.600 0.248 0.000 1.066 248 E CA 0.728 57.230 56.400 0.170 0.000 0.871 248 E CB -0.175 29.656 29.700 0.219 0.000 0.863 248 E HN 0.579 nan 8.360 nan 0.000 0.520 249 T N -2.005 112.644 114.554 0.158 0.000 3.100 249 T HA -0.044 4.306 4.350 -0.001 0.000 0.253 249 T C 0.796 175.586 174.700 0.149 0.000 1.118 249 T CA -0.143 62.047 62.100 0.151 0.000 1.058 249 T CB -0.005 68.921 68.868 0.095 0.000 0.953 249 T HN 0.098 nan 8.240 nan 0.000 0.515 250 H N 1.022 120.107 119.070 0.026 0.000 2.707 250 H HA 0.485 5.040 4.556 -0.001 0.000 0.359 250 H C 1.542 176.975 175.328 0.176 0.000 1.113 250 H CA 0.376 56.443 56.048 0.033 0.000 1.422 250 H CB 1.385 31.021 29.762 -0.210 0.000 1.443 250 H HN 0.193 nan 8.280 nan 0.000 0.591 251 A N 5.047 127.985 122.820 0.197 0.000 2.024 251 A HA -0.121 4.199 4.320 -0.001 0.000 0.220 251 A C 2.425 180.284 177.584 0.457 0.000 1.164 251 A CA 1.079 53.333 52.037 0.362 0.000 0.643 251 A CB -0.335 18.986 19.000 0.535 0.000 0.806 251 A HN 0.732 nan 8.150 nan 0.000 0.451 252 L N -0.716 120.920 121.223 0.688 0.000 2.591 252 L HA 0.173 4.513 4.340 -0.001 0.000 0.228 252 L C 1.158 178.225 176.870 0.328 0.000 1.133 252 L CA -0.064 55.020 54.840 0.407 0.000 0.880 252 L CB -0.158 42.025 42.059 0.206 0.000 1.033 252 L HN 0.359 nan 8.230 nan 0.000 0.450 253 A N 0.230 123.337 122.820 0.477 0.000 2.347 253 A HA 0.310 4.630 4.320 -0.001 0.000 0.287 253 A C 1.032 178.758 177.584 0.235 0.000 1.199 253 A CA -0.234 52.027 52.037 0.374 0.000 0.851 253 A CB 0.348 19.594 19.000 0.410 0.000 1.118 253 A HN 0.144 nan 8.150 nan 0.000 0.525 254 M N 2.123 121.777 119.600 0.090 0.000 2.502 254 M HA 0.182 4.662 4.480 -0.001 0.000 0.243 254 M C 1.185 177.450 176.300 -0.057 0.000 1.130 254 M CA 1.132 56.477 55.300 0.074 0.000 1.055 254 M CB -1.358 31.245 32.600 0.005 0.000 1.457 254 M HN 1.225 nan 8.290 nan 0.000 0.488 255 G N 0.551 109.130 108.800 -0.369 0.000 2.615 255 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 255 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 255 G C -0.663 173.785 174.900 -0.754 0.000 1.339 255 G CA -0.556 43.868 45.100 -1.127 0.000 0.884 255 G HN 0.341 nan 8.290 nan 0.000 0.559 256 S N 0.460 115.606 115.700 -0.923 0.000 2.499 256 S HA 0.699 5.168 4.470 -0.001 0.000 0.279 256 S C 0.825 175.204 174.600 -0.368 0.000 1.219 256 S CA 0.349 58.232 58.200 -0.528 0.000 1.062 256 S CB 1.323 64.228 63.200 -0.492 0.000 0.978 256 S HN 1.739 nan 8.310 nan 0.000 0.489 257 A N 2.562 125.216 122.820 -0.276 0.000 2.332 257 A HA 0.844 5.164 4.320 -0.001 0.000 0.258 257 A C 0.874 178.365 177.584 -0.155 0.000 1.087 257 A CA 0.318 52.226 52.037 -0.216 0.000 0.802 257 A CB -0.285 18.590 19.000 -0.209 0.000 1.042 257 A HN 1.521 nan 8.150 nan 0.000 0.489 258 G N -1.210 107.525 108.800 -0.109 0.000 2.343 258 G HA2 0.213 4.173 3.960 -0.001 0.000 0.465 258 G HA3 0.213 4.173 3.960 -0.001 0.000 0.465 258 G C 0.095 175.006 174.900 0.019 0.000 1.282 258 G CA 0.056 45.142 45.100 -0.023 0.000 0.996 258 G HN 1.874 nan 8.290 nan 0.000 0.521 259 F N -1.408 118.484 119.950 -0.096 0.000 2.558 259 F HA 0.346 4.873 4.527 -0.001 0.000 0.298 259 F C 1.747 177.506 175.800 -0.070 0.000 1.119 259 F CA 1.164 59.093 58.000 -0.117 0.000 1.451 259 F CB 0.016 38.903 39.000 -0.188 0.000 1.091 259 F HN 0.365 nan 8.300 nan 0.000 0.563 260 C N 1.792 120.813 119.300 -0.464 0.000 2.881 260 C HA 0.573 5.032 4.460 -0.001 0.000 0.290 260 C C 1.631 176.681 174.990 0.101 0.000 1.362 260 C CA -0.305 58.552 59.018 -0.268 0.000 1.757 260 C CB -1.283 26.144 27.740 -0.521 0.000 2.265 260 C HN 0.650 nan 8.230 nan 0.000 0.600 261 G N -0.754 108.070 108.800 0.040 0.000 2.543 261 G HA2 0.452 4.411 3.960 -0.001 0.000 0.267 261 G HA3 0.452 4.411 3.960 -0.001 0.000 0.267 261 G C -1.053 173.862 174.900 0.025 0.000 1.406 261 G CA -0.202 44.936 45.100 0.063 0.000 1.048 261 G HN 0.356 nan 8.290 nan 0.000 0.548 262 W N -0.005 120.966 121.300 -0.548 0.000 2.365 262 W HA 0.504 5.164 4.660 -0.000 0.000 0.316 262 W C 1.321 177.142 176.519 -1.164 0.000 1.164 262 W CA -1.412 55.131 57.345 -1.337 0.000 1.204 262 W CB 1.485 30.222 29.460 -1.205 0.000 1.213 262 W HN 0.599 nan 8.180 nan 0.000 0.539 263 K N 1.205 120.889 120.400 -1.194 0.000 2.209 263 K HA -0.196 4.123 4.320 -0.001 0.000 0.204 263 K C 1.882 178.275 176.600 -0.345 0.000 1.048 263 K CA 1.927 57.926 56.287 -0.479 0.000 0.940 263 K CB 0.071 32.449 32.500 -0.203 0.000 0.729 263 K HN 0.488 nan 8.250 nan 0.000 0.451 264 S N 0.345 115.863 115.700 -0.305 0.000 2.383 264 S HA -0.173 4.296 4.470 -0.001 0.000 0.229 264 S C 2.173 176.660 174.600 -0.188 0.000 1.030 264 S CA 1.045 59.184 58.200 -0.102 0.000 1.002 264 S CB -0.427 62.852 63.200 0.131 0.000 0.829 264 S HN 0.394 nan 8.310 nan 0.000 0.467 265 A N 2.958 125.644 122.820 -0.223 0.000 1.897 265 A HA -0.051 4.269 4.320 -0.001 0.000 0.215 265 A C 2.166 179.597 177.584 -0.255 0.000 1.181 265 A CA 1.373 53.276 52.037 -0.223 0.000 0.620 265 A CB -0.747 18.093 19.000 -0.265 0.000 0.821 265 A HN 0.520 nan 8.150 nan 0.000 0.443 266 N N 0.717 119.249 118.700 -0.279 0.000 2.120 266 N HA -0.135 4.605 4.740 -0.001 0.000 0.188 266 N C 1.081 176.396 175.510 -0.324 0.000 1.024 266 N CA 1.544 54.437 53.050 -0.262 0.000 0.852 266 N CB -0.472 37.877 38.487 -0.230 0.000 1.003 266 N HN 0.420 nan 8.380 nan 0.000 0.424 267 D N 0.704 120.826 120.400 -0.462 0.000 2.104 267 D HA -0.143 4.497 4.640 -0.001 0.000 0.194 267 D C 1.917 177.734 176.300 -0.806 0.000 0.994 267 D CA 0.817 54.344 54.000 -0.788 0.000 0.830 267 D CB -0.198 39.785 40.800 -1.363 0.000 0.959 267 D HN 0.146 nan 8.370 nan 0.000 0.452 268 M N -0.129 119.133 119.600 -0.564 0.000 2.132 268 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 268 M C 1.803 178.039 176.300 -0.107 0.000 1.065 268 M CA 1.146 56.361 55.300 -0.141 0.000 1.122 268 M CB -0.151 32.460 32.600 0.018 0.000 1.365 268 M HN -0.118 nan 8.290 nan 0.000 0.411 269 M N -0.483 119.014 119.600 -0.171 0.000 2.213 269 M HA -0.053 4.426 4.480 -0.001 0.000 0.263 269 M C 2.210 178.433 176.300 -0.128 0.000 1.062 269 M CA 1.653 56.860 55.300 -0.155 0.000 1.105 269 M CB -1.696 30.790 32.600 -0.191 0.000 1.385 269 M HN 0.446 nan 8.290 nan 0.000 0.417 270 A N -0.258 122.473 122.820 -0.148 0.000 2.014 270 A HA 0.133 4.453 4.320 -0.001 0.000 0.218 270 A C 2.291 179.850 177.584 -0.042 0.000 1.163 270 A CA 1.640 53.615 52.037 -0.103 0.000 0.652 270 A CB -0.561 18.361 19.000 -0.130 0.000 0.808 270 A HN 0.468 nan 8.150 nan 0.000 0.449 271 A N -0.587 122.226 122.820 -0.012 0.000 2.132 271 A HA 0.594 4.913 4.320 -0.001 0.000 0.213 271 A C 1.403 179.037 177.584 0.082 0.000 1.154 271 A CA 0.716 52.807 52.037 0.091 0.000 0.753 271 A CB -0.639 18.516 19.000 0.259 0.000 0.826 271 A HN 0.890 nan 8.150 nan 0.000 0.469 272 A N 1.008 123.857 122.820 0.047 0.000 2.407 272 A HA 0.398 4.717 4.320 -0.001 0.000 0.248 272 A C 0.693 178.315 177.584 0.064 0.000 1.082 272 A CA 0.316 52.385 52.037 0.054 0.000 0.785 272 A CB 0.218 19.219 19.000 0.003 0.000 1.020 272 A HN 0.445 nan 8.150 nan 0.000 0.489 273 D N -0.217 120.248 120.400 0.108 0.000 2.379 273 D HA 0.187 4.827 4.640 -0.001 0.000 0.208 273 D C -0.263 176.174 176.300 0.228 0.000 1.065 273 D CA 0.141 54.223 54.000 0.137 0.000 0.848 273 D CB 0.128 41.004 40.800 0.126 0.000 0.949 273 D HN 0.287 nan 8.370 nan 0.000 0.509 274 F N 0.403 120.382 119.950 0.049 0.000 2.672 274 F HA 0.468 4.995 4.527 -0.001 0.000 0.311 274 F C -2.190 173.641 175.800 0.052 0.000 1.113 274 F CA -1.039 57.000 58.000 0.064 0.000 0.996 274 F CB 1.654 40.692 39.000 0.063 0.000 1.286 274 F HN -0.254 nan 8.300 nan 0.000 0.441 275 V N 5.852 125.180 119.914 -0.976 0.000 2.656 275 V HA 0.509 4.628 4.120 -0.001 0.000 0.307 275 V C -1.249 174.282 176.094 -0.938 0.000 1.051 275 V CA -0.787 61.085 62.300 -0.712 0.000 0.893 275 V CB 1.764 33.343 31.823 -0.405 0.000 0.999 275 V HN 0.719 nan 8.190 nan 0.000 0.426 276 L N 6.239 127.174 121.223 -0.479 0.000 2.264 276 L HA 0.605 4.944 4.340 -0.001 0.000 0.287 276 L C -0.429 176.371 176.870 -0.116 0.000 1.039 276 L CA 0.130 54.871 54.840 -0.164 0.000 0.829 276 L CB 1.268 43.380 42.059 0.089 0.000 1.211 276 L HN 0.467 nan 8.230 nan 0.000 0.427 277 V N 6.960 126.826 119.914 -0.080 0.000 2.383 277 V HA 0.393 4.513 4.120 -0.001 0.000 0.275 277 V C 0.072 176.165 176.094 -0.001 0.000 1.036 277 V CA -0.398 61.844 62.300 -0.096 0.000 0.889 277 V CB 1.183 32.874 31.823 -0.220 0.000 0.985 277 V HN 0.572 nan 8.190 nan 0.000 0.459 278 L N 4.242 125.454 121.223 -0.019 0.000 2.343 278 L HA 0.660 5.000 4.340 -0.001 0.000 0.278 278 L C 0.983 177.866 176.870 0.021 0.000 0.996 278 L CA -0.543 54.298 54.840 0.001 0.000 0.831 278 L CB 1.623 43.684 42.059 0.003 0.000 1.232 278 L HN 0.863 nan 8.230 nan 0.000 0.413 279 G N 1.941 110.772 108.800 0.051 0.000 2.295 279 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.287 279 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.287 279 G C -0.026 174.913 174.900 0.064 0.000 1.055 279 G CA 0.711 45.845 45.100 0.057 0.000 0.922 279 G HN 0.614 nan 8.290 nan 0.000 0.503 280 S N -1.092 114.673 115.700 0.108 0.000 2.536 280 S HA 0.677 5.147 4.470 -0.001 0.000 0.287 280 S C 1.222 175.939 174.600 0.196 0.000 1.101 280 S CA -0.073 58.178 58.200 0.085 0.000 0.950 280 S CB 0.930 64.118 63.200 -0.020 0.000 1.056 280 S HN 0.770 nan 8.310 nan 0.000 0.481 281 R N 3.578 124.164 120.500 0.144 0.000 2.334 281 R HA 0.333 4.672 4.340 -0.001 0.000 0.220 281 R C 0.066 176.473 176.300 0.179 0.000 0.917 281 R CA -0.069 56.144 56.100 0.188 0.000 1.073 281 R CB -0.848 29.536 30.300 0.140 0.000 1.056 281 R HN 0.693 nan 8.270 nan 0.000 0.506 282 L N 2.776 124.048 121.223 0.082 0.000 3.795 282 L HA -0.243 4.097 4.340 -0.001 0.000 0.489 282 L C 0.081 176.993 176.870 0.070 0.000 1.259 282 L CA 0.693 55.551 54.840 0.030 0.000 0.765 282 L CB -2.007 40.081 42.059 0.047 0.000 1.519 282 L HN 0.550 nan 8.230 nan 0.000 0.842 283 S N -2.379 113.335 115.700 0.023 0.000 2.669 283 S HA 0.287 4.756 4.470 -0.001 0.000 0.270 283 S C 0.998 175.522 174.600 -0.126 0.000 1.225 283 S CA -0.127 58.072 58.200 -0.002 0.000 0.991 283 S CB 2.233 65.460 63.200 0.046 0.000 0.987 283 S HN 0.406 nan 8.310 nan 0.000 0.552 284 D N 0.386 120.665 120.400 -0.201 0.000 2.103 284 D HA -0.154 4.486 4.640 -0.001 0.000 0.190 284 D C 0.710 177.078 176.300 0.114 0.000 0.997 284 D CA 1.596 55.421 54.000 -0.293 0.000 0.833 284 D CB -0.233 40.506 40.800 -0.102 0.000 0.961 284 D HN 0.741 nan 8.370 nan 0.000 0.447 285 W N 0.757 122.021 121.300 -0.061 0.000 3.353 285 W HA 0.455 5.114 4.660 -0.001 0.000 0.304 285 W C 1.316 177.930 176.519 0.158 0.000 1.273 285 W CA -0.023 57.384 57.345 0.103 0.000 1.773 285 W CB -0.350 29.239 29.460 0.214 0.000 1.095 285 W HN -0.003 nan 8.180 nan 0.000 0.676 286 G N -0.250 108.678 108.800 0.214 0.000 3.392 286 G HA2 0.154 4.114 3.960 -0.001 0.000 0.188 286 G HA3 0.154 4.114 3.960 -0.001 0.000 0.188 286 G C 0.937 175.845 174.900 0.013 0.000 1.485 286 G CA -0.191 44.969 45.100 0.100 0.000 0.943 286 G HN -0.189 nan 8.290 nan 0.000 0.627 287 I N 1.687 122.219 120.570 -0.062 0.000 2.361 287 I HA -0.116 4.054 4.170 -0.001 0.000 0.251 287 I C 3.151 179.183 176.117 -0.143 0.000 1.133 287 I CA 1.475 62.693 61.300 -0.137 0.000 1.413 287 I CB -1.425 36.441 38.000 -0.223 0.000 1.073 287 I HN 0.357 nan 8.210 nan 0.000 0.424 288 A N -0.175 122.574 122.820 -0.119 0.000 2.015 288 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 288 A C 1.227 178.719 177.584 -0.153 0.000 1.163 288 A CA 0.449 52.421 52.037 -0.108 0.000 0.646 288 A CB -0.514 18.275 19.000 -0.352 0.000 0.806 288 A HN 0.612 nan 8.150 nan 0.000 0.448 289 Q N -2.304 117.411 119.800 -0.141 0.000 2.443 289 Q HA -0.205 4.135 4.340 -0.001 0.000 0.337 289 Q C 0.708 176.596 176.000 -0.187 0.000 1.401 289 Q CA 0.422 56.138 55.803 -0.144 0.000 0.943 289 Q CB -2.320 26.356 28.738 -0.102 0.000 1.177 289 Q HN 1.700 nan 8.270 nan 0.000 0.394 290 G N -0.422 108.241 108.800 -0.228 0.000 2.160 290 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.251 290 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.251 290 G C -0.041 174.824 174.900 -0.058 0.000 1.008 290 G CA 0.237 45.263 45.100 -0.124 0.000 0.724 290 G HN 0.741 nan 8.290 nan 0.000 0.514 291 Y N -3.303 116.907 120.300 -0.151 0.000 4.032 291 Y HA -0.245 4.305 4.550 -0.001 0.000 0.230 291 Y C 1.851 177.736 175.900 -0.025 0.000 1.202 291 Y CA 1.011 58.943 58.100 -0.279 0.000 1.878 291 Y CB -2.083 35.989 38.460 -0.646 0.000 1.586 291 Y HN 0.448 nan 8.280 nan 0.000 0.673 292 I N -1.849 118.767 120.570 0.078 0.000 3.616 292 I HA -0.005 4.165 4.170 -0.001 0.000 0.296 292 I C 1.230 177.409 176.117 0.103 0.000 1.226 292 I CA 0.415 61.764 61.300 0.082 0.000 1.394 292 I CB 0.222 38.229 38.000 0.012 0.000 1.171 292 I HN 0.075 nan 8.210 nan 0.000 0.442 293 T N 3.870 118.480 114.554 0.094 0.000 2.934 293 T HA 0.020 4.369 4.350 -0.001 0.000 0.306 293 T C 0.301 175.073 174.700 0.120 0.000 1.042 293 T CA 0.120 62.246 62.100 0.044 0.000 1.145 293 T CB 0.249 69.084 68.868 -0.055 0.000 0.982 293 T HN 0.004 nan 8.240 nan 0.000 0.544 294 K N 4.347 124.769 120.400 0.036 0.000 2.268 294 K HA 0.274 4.593 4.320 -0.001 0.000 0.276 294 K C -0.056 176.513 176.600 -0.052 0.000 1.080 294 K CA -0.407 55.911 56.287 0.052 0.000 0.910 294 K CB 0.794 33.318 32.500 0.040 0.000 1.163 294 K HN 0.476 nan 8.250 nan 0.000 0.465 295 M N 3.912 123.453 119.600 -0.099 0.000 2.200 295 M HA 0.218 4.698 4.480 -0.001 0.000 0.355 295 M C -1.854 174.419 176.300 -0.045 0.000 1.283 295 M CA -2.163 52.988 55.300 -0.249 0.000 1.124 295 M CB -0.150 32.121 32.600 -0.548 0.000 1.625 295 M HN 0.199 nan 8.290 nan 0.000 0.463 296 P HA 0.075 nan 4.420 nan 0.000 0.271 296 P C -0.813 176.588 177.300 0.168 0.000 1.244 296 P CA -0.438 62.688 63.100 0.043 0.000 0.793 296 P CB 0.213 31.911 31.700 -0.004 0.000 0.984 297 K N 1.192 121.711 120.400 0.199 0.000 2.524 297 K HA 0.208 4.527 4.320 -0.001 0.000 0.279 297 K C -0.597 176.159 176.600 0.259 0.000 0.993 297 K CA 0.229 56.668 56.287 0.254 0.000 1.030 297 K CB -0.456 32.190 32.500 0.243 0.000 0.891 297 K HN 0.466 nan 8.250 nan 0.000 0.488 298 F N -1.023 118.922 119.950 -0.009 0.000 2.654 298 F HA 0.501 5.028 4.527 -0.001 0.000 0.308 298 F C -1.682 174.111 175.800 -0.011 0.000 1.108 298 F CA -1.456 56.418 58.000 -0.209 0.000 0.957 298 F CB 0.942 39.770 39.000 -0.287 0.000 1.309 298 F HN 0.158 nan 8.300 nan 0.000 0.446 299 V N 2.297 122.224 119.914 0.022 0.000 2.472 299 V HA 0.371 4.490 4.120 -0.001 0.000 0.290 299 V C -0.888 175.281 176.094 0.126 0.000 1.037 299 V CA -0.428 61.908 62.300 0.060 0.000 0.908 299 V CB 1.359 33.315 31.823 0.221 0.000 0.985 299 V HN 0.981 nan 8.190 nan 0.000 0.454 300 H N 3.129 122.175 119.070 -0.039 0.000 2.727 300 H HA 0.671 5.227 4.556 -0.001 0.000 0.330 300 H C -1.478 173.794 175.328 -0.093 0.000 0.986 300 H CA -0.667 55.406 56.048 0.040 0.000 1.251 300 H CB 1.754 31.619 29.762 0.172 0.000 1.493 300 H HN 0.479 nan 8.280 nan 0.000 0.515 301 V N 6.050 125.987 119.914 0.040 0.000 2.409 301 V HA 0.285 4.404 4.120 -0.001 0.000 0.291 301 V C -0.242 175.786 176.094 -0.110 0.000 1.020 301 V CA -0.564 61.609 62.300 -0.212 0.000 0.848 301 V CB 1.477 32.979 31.823 -0.535 0.000 0.990 301 V HN 0.828 nan 8.190 nan 0.000 0.430 302 D N 2.089 122.403 120.400 -0.144 0.000 2.609 302 D HA 0.242 4.882 4.640 -0.001 0.000 0.239 302 D C 0.732 176.987 176.300 -0.075 0.000 1.229 302 D CA -0.009 53.938 54.000 -0.088 0.000 0.808 302 D CB 3.042 43.763 40.800 -0.131 0.000 1.448 302 D HN 0.562 nan 8.370 nan 0.000 0.433 303 T N -1.470 113.066 114.554 -0.031 0.000 3.067 303 T HA 0.017 4.367 4.350 -0.001 0.000 0.261 303 T C 0.498 175.184 174.700 -0.022 0.000 1.110 303 T CA 0.229 62.291 62.100 -0.063 0.000 1.113 303 T CB 0.194 68.970 68.868 -0.153 0.000 0.917 303 T HN 0.174 nan 8.240 nan 0.000 0.499 304 D N 2.208 122.619 120.400 0.017 0.000 2.427 304 D HA 0.333 4.973 4.640 -0.001 0.000 0.226 304 D C -1.951 174.341 176.300 -0.013 0.000 1.076 304 D CA -2.784 51.235 54.000 0.031 0.000 0.849 304 D CB 1.912 42.752 40.800 0.067 0.000 1.052 304 D HN -0.057 nan 8.370 nan 0.000 0.515 305 P HA -0.098 nan 4.420 nan 0.000 0.219 305 P C 1.016 178.303 177.300 -0.020 0.000 1.146 305 P CA 0.908 63.987 63.100 -0.035 0.000 0.808 305 P CB 0.235 31.919 31.700 -0.026 0.000 0.779 306 A N -0.179 122.645 122.820 0.006 0.000 2.019 306 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 306 A C 2.162 179.775 177.584 0.048 0.000 1.164 306 A CA 1.892 53.945 52.037 0.027 0.000 0.644 306 A CB -1.614 17.409 19.000 0.038 0.000 0.805 306 A HN 0.247 nan 8.150 nan 0.000 0.449 307 V N -2.455 117.482 119.914 0.038 0.000 3.129 307 V HA 0.234 4.354 4.120 -0.001 0.000 0.259 307 V C 0.804 176.942 176.094 0.073 0.000 1.116 307 V CA 0.343 62.694 62.300 0.084 0.000 1.127 307 V CB -0.803 31.077 31.823 0.096 0.000 0.742 307 V HN 0.319 nan 8.190 nan 0.000 0.474 308 L N 2.768 123.961 121.223 -0.050 0.000 2.325 308 L HA 0.624 4.963 4.340 -0.001 0.000 0.284 308 L C 1.396 178.295 176.870 0.048 0.000 1.089 308 L CA 0.610 55.389 54.840 -0.102 0.000 0.836 308 L CB 0.227 42.175 42.059 -0.185 0.000 1.184 308 L HN 0.523 nan 8.230 nan 0.000 0.444 309 G N 1.641 110.563 108.800 0.203 0.000 2.143 309 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.249 309 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.249 309 G C 0.872 175.905 174.900 0.222 0.000 0.981 309 G CA 0.615 45.818 45.100 0.171 0.000 0.665 309 G HN 0.615 nan 8.290 nan 0.000 0.528 310 T N -1.834 112.880 114.554 0.267 0.000 2.821 310 T HA 0.188 4.538 4.350 -0.001 0.000 0.267 310 T C 1.638 176.549 174.700 0.352 0.000 1.046 310 T CA 2.259 64.516 62.100 0.261 0.000 1.139 310 T CB -0.063 68.939 68.868 0.223 0.000 0.871 310 T HN 0.752 nan 8.240 nan 0.000 0.454 311 F N -1.205 118.902 119.950 0.262 0.000 2.334 311 F HA 0.420 4.946 4.527 -0.001 0.000 0.269 311 F C -0.673 175.126 175.800 -0.002 0.000 0.879 311 F CA -0.841 57.204 58.000 0.075 0.000 1.102 311 F CB 0.729 39.722 39.000 -0.011 0.000 1.032 311 F HN -0.054 nan 8.300 nan 0.000 0.782 312 Y N 1.933 122.522 120.300 0.482 0.000 2.350 312 Y HA 0.327 4.876 4.550 -0.001 0.000 0.340 312 Y C -0.781 175.495 175.900 0.626 0.000 1.006 312 Y CA -0.916 57.443 58.100 0.431 0.000 1.166 312 Y CB 0.353 39.090 38.460 0.463 0.000 1.168 312 Y HN -0.160 nan 8.280 nan 0.000 0.502 313 F N 5.110 125.239 119.950 0.298 0.000 2.421 313 F HA 0.337 4.864 4.527 -0.001 0.000 0.358 313 F C -1.948 173.813 175.800 -0.065 0.000 1.115 313 F CA -3.808 54.260 58.000 0.115 0.000 1.160 313 F CB 0.175 39.191 39.000 0.027 0.000 1.123 313 F HN 0.337 nan 8.300 nan 0.000 0.508 314 P HA 0.104 nan 4.420 nan 0.000 0.274 314 P C 0.986 178.074 177.300 -0.354 0.000 1.246 314 P CA -0.533 62.064 63.100 -0.838 0.000 0.795 314 P CB 0.998 32.300 31.700 -0.664 0.000 1.006 315 L N 1.463 122.487 121.223 -0.332 0.000 2.083 315 L HA 0.055 4.395 4.340 -0.001 0.000 0.209 315 L C 0.331 177.156 176.870 -0.074 0.000 1.083 315 L CA 2.032 56.814 54.840 -0.098 0.000 0.752 315 L CB -0.429 41.638 42.059 0.012 0.000 0.899 315 L HN 0.282 nan 8.230 nan 0.000 0.433 316 L N -0.803 120.358 121.223 -0.103 0.000 2.505 316 L HA 0.478 4.817 4.340 -0.001 0.000 0.266 316 L C -0.918 175.907 176.870 -0.074 0.000 0.954 316 L CA -0.135 54.673 54.840 -0.053 0.000 0.852 316 L CB 1.846 43.913 42.059 0.014 0.000 1.282 316 L HN -0.122 nan 8.230 nan 0.000 0.403 317 S N 3.383 119.041 115.700 -0.071 0.000 2.489 317 S HA 0.873 5.342 4.470 -0.001 0.000 0.291 317 S C -0.853 173.704 174.600 -0.072 0.000 1.151 317 S CA -0.549 57.607 58.200 -0.074 0.000 1.082 317 S CB 1.651 64.799 63.200 -0.086 0.000 1.019 317 S HN 0.429 nan 8.310 nan 0.000 0.492 318 V N 3.366 123.218 119.914 -0.103 0.000 2.623 318 V HA 0.338 4.457 4.120 -0.001 0.000 0.304 318 V C -0.525 175.499 176.094 -0.117 0.000 1.054 318 V CA -0.818 61.423 62.300 -0.099 0.000 0.882 318 V CB 1.943 33.675 31.823 -0.152 0.000 1.002 318 V HN 0.667 nan 8.190 nan 0.000 0.424 319 V N 4.360 124.231 119.914 -0.070 0.000 2.372 319 V HA 0.816 4.936 4.120 -0.001 0.000 0.261 319 V C 0.464 176.534 176.094 -0.040 0.000 1.055 319 V CA 0.315 62.575 62.300 -0.065 0.000 0.930 319 V CB 0.547 32.342 31.823 -0.048 0.000 1.031 319 V HN 1.102 nan 8.190 nan 0.000 0.479 320 A N 3.727 126.512 122.820 -0.059 0.000 2.608 320 A HA 0.594 4.913 4.320 -0.001 0.000 0.292 320 A C -1.041 176.517 177.584 -0.043 0.000 1.066 320 A CA -0.791 51.233 52.037 -0.022 0.000 0.676 320 A CB 1.312 20.353 19.000 0.069 0.000 1.277 320 A HN 0.693 nan 8.150 nan 0.000 0.413 321 D N 1.078 121.452 120.400 -0.044 0.000 2.424 321 D HA 0.490 5.130 4.640 -0.001 0.000 0.244 321 D C 1.260 177.570 176.300 0.016 0.000 1.134 321 D CA 0.776 54.752 54.000 -0.039 0.000 0.881 321 D CB 1.397 42.154 40.800 -0.071 0.000 1.191 321 D HN 0.744 nan 8.370 nan 0.000 0.445 322 A N 4.711 127.546 122.820 0.025 0.000 1.858 322 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 322 A C 1.988 179.622 177.584 0.084 0.000 1.190 322 A CA 1.713 53.786 52.037 0.060 0.000 0.617 322 A CB -0.618 18.407 19.000 0.041 0.000 0.827 322 A HN 0.743 nan 8.150 nan 0.000 0.443 323 K N -0.906 119.519 120.400 0.041 0.000 2.032 323 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 323 K C 2.040 178.646 176.600 0.010 0.000 1.048 323 K CA 2.046 58.349 56.287 0.027 0.000 0.927 323 K CB -0.451 32.055 32.500 0.010 0.000 0.712 323 K HN 0.449 nan 8.250 nan 0.000 0.441 324 T N 0.754 115.290 114.554 -0.029 0.000 2.684 324 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 324 T C 1.433 176.103 174.700 -0.050 0.000 1.036 324 T CA 1.548 63.580 62.100 -0.113 0.000 1.148 324 T CB -0.415 68.277 68.868 -0.294 0.000 0.863 324 T HN 0.308 nan 8.240 nan 0.000 0.436 325 F N 1.503 121.398 119.950 -0.093 0.000 2.134 325 F HA -0.046 4.480 4.527 -0.001 0.000 0.299 325 F C 2.270 178.054 175.800 -0.027 0.000 1.097 325 F CA 1.267 59.238 58.000 -0.047 0.000 1.264 325 F CB -0.388 38.598 39.000 -0.024 0.000 1.001 325 F HN 0.058 nan 8.300 nan 0.000 0.479 326 M N -0.121 119.536 119.600 0.094 0.000 2.117 326 M HA -0.230 4.250 4.480 -0.001 0.000 0.262 326 M C 2.035 178.284 176.300 -0.085 0.000 1.065 326 M CA 1.950 57.256 55.300 0.009 0.000 1.114 326 M CB -0.646 31.992 32.600 0.063 0.000 1.361 326 M HN 0.177 nan 8.290 nan 0.000 0.408 327 E N 0.157 120.317 120.200 -0.067 0.000 2.077 327 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 327 E C 2.081 178.614 176.600 -0.111 0.000 0.989 327 E CA 1.170 57.529 56.400 -0.068 0.000 0.800 327 E CB -0.144 29.533 29.700 -0.039 0.000 0.746 327 E HN 0.583 nan 8.360 nan 0.000 0.452 328 Q N 0.386 120.087 119.800 -0.165 0.000 2.084 328 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 328 Q C 2.358 178.202 176.000 -0.261 0.000 0.978 328 Q CA 1.023 56.708 55.803 -0.198 0.000 0.844 328 Q CB -0.093 28.502 28.738 -0.238 0.000 0.898 328 Q HN 0.316 nan 8.270 nan 0.000 0.426 329 L N 0.217 121.216 121.223 -0.373 0.000 2.046 329 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 329 L C 2.310 179.049 176.870 -0.218 0.000 1.077 329 L CA 0.938 55.586 54.840 -0.321 0.000 0.747 329 L CB -0.335 41.543 42.059 -0.301 0.000 0.896 329 L HN 0.264 nan 8.230 nan 0.000 0.432 330 I N -0.197 120.270 120.570 -0.170 0.000 2.208 330 I HA -0.323 3.847 4.170 -0.001 0.000 0.245 330 I C 2.402 178.430 176.117 -0.148 0.000 1.097 330 I CA 1.450 62.665 61.300 -0.142 0.000 1.363 330 I CB -0.258 37.693 38.000 -0.082 0.000 1.051 330 I HN 0.302 nan 8.210 nan 0.000 0.413 331 E N 0.076 120.201 120.200 -0.125 0.000 2.110 331 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 331 E C 2.210 178.737 176.600 -0.121 0.000 0.988 331 E CA 1.744 58.083 56.400 -0.102 0.000 0.804 331 E CB -0.076 29.579 29.700 -0.075 0.000 0.745 331 E HN 0.542 nan 8.360 nan 0.000 0.458 332 V N -1.185 118.639 119.914 -0.150 0.000 3.235 332 V HA -0.012 4.107 4.120 -0.001 0.000 0.259 332 V C 1.921 177.903 176.094 -0.188 0.000 1.133 332 V CA 0.656 62.872 62.300 -0.141 0.000 1.128 332 V CB -0.359 31.389 31.823 -0.125 0.000 0.757 332 V HN 0.148 nan 8.190 nan 0.000 0.469 333 L N 0.248 121.292 121.223 -0.300 0.000 2.012 333 L HA -0.039 4.301 4.340 -0.001 0.000 0.210 333 L C 0.217 176.774 176.870 -0.522 0.000 1.073 333 L CA 2.166 56.686 54.840 -0.533 0.000 0.748 333 L CB -1.614 39.935 42.059 -0.849 0.000 0.891 333 L HN 0.358 nan 8.230 nan 0.000 0.431 334 P HA -0.132 nan 4.420 nan 0.000 0.218 334 P C 1.190 178.517 177.300 0.044 0.000 1.148 334 P CA 1.554 64.641 63.100 -0.022 0.000 0.822 334 P CB -0.124 31.580 31.700 0.008 0.000 0.784 335 G N -1.710 107.078 108.800 -0.020 0.000 3.088 335 G HA2 0.001 3.960 3.960 -0.001 0.000 0.212 335 G HA3 0.001 3.960 3.960 -0.001 0.000 0.212 335 G C 0.112 175.016 174.900 0.008 0.000 1.173 335 G CA 0.131 45.233 45.100 0.003 0.000 0.779 335 G HN 0.172 nan 8.290 nan 0.000 0.540 336 T N 0.936 115.498 114.554 0.014 0.000 2.743 336 T HA 0.372 4.721 4.350 -0.001 0.000 0.293 336 T C 0.525 175.273 174.700 0.081 0.000 0.945 336 T CA -0.168 61.947 62.100 0.025 0.000 1.030 336 T CB 1.436 70.298 68.868 -0.011 0.000 0.912 336 T HN 0.115 nan 8.240 nan 0.000 0.483 337 S N 2.690 118.420 115.700 0.050 0.000 2.563 337 S HA 0.335 4.804 4.470 -0.001 0.000 0.294 337 S C 1.620 176.259 174.600 0.065 0.000 1.279 337 S CA 1.082 59.313 58.200 0.051 0.000 1.069 337 S CB -0.434 62.783 63.200 0.027 0.000 0.828 337 S HN 1.188 nan 8.310 nan 0.000 0.497 338 G N 3.891 112.729 108.800 0.064 0.000 2.234 338 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.235 338 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.235 338 G C 0.065 175.010 174.900 0.075 0.000 0.997 338 G CA 0.112 45.244 45.100 0.052 0.000 0.623 338 G HN 0.874 nan 8.290 nan 0.000 0.514 339 F N 2.254 122.202 119.950 -0.004 0.000 2.456 339 F HA 0.673 5.200 4.527 -0.001 0.000 0.358 339 F C 0.322 176.125 175.800 0.004 0.000 1.095 339 F CA -0.131 57.870 58.000 0.001 0.000 1.216 339 F CB 0.926 39.926 39.000 -0.000 0.000 1.125 339 F HN 0.165 nan 8.300 nan 0.000 0.549 340 K N 4.725 124.557 120.400 -0.947 0.000 2.468 340 K HA 0.722 5.042 4.320 -0.001 0.000 0.252 340 K C -1.402 174.597 176.600 -1.002 0.000 0.932 340 K CA -0.845 54.995 56.287 -0.746 0.000 0.794 340 K CB 1.797 34.103 32.500 -0.324 0.000 1.241 340 K HN 0.709 nan 8.250 nan 0.000 0.428 341 A N 3.234 125.700 122.820 -0.589 0.000 2.395 341 A HA 0.475 4.795 4.320 -0.001 0.000 0.286 341 A C -0.816 176.665 177.584 -0.171 0.000 1.193 341 A CA -0.206 51.668 52.037 -0.272 0.000 0.852 341 A CB -0.107 18.886 19.000 -0.012 0.000 1.118 341 A HN 0.388 nan 8.150 nan 0.000 0.524 342 V N 3.786 123.619 119.914 -0.135 0.000 2.888 342 V HA 0.354 4.473 4.120 -0.001 0.000 0.309 342 V C 0.185 176.243 176.094 -0.060 0.000 1.114 342 V CA -1.020 61.220 62.300 -0.099 0.000 0.940 342 V CB 1.932 33.688 31.823 -0.112 0.000 1.021 342 V HN 1.001 nan 8.190 nan 0.000 0.426 343 R N 1.860 122.304 120.500 -0.093 0.000 2.585 343 R HA 0.039 4.379 4.340 -0.001 0.000 0.275 343 R C 1.135 177.321 176.300 -0.190 0.000 1.018 343 R CA 0.219 56.226 56.100 -0.155 0.000 1.072 343 R CB 0.160 30.310 30.300 -0.249 0.000 0.953 343 R HN 0.926 nan 8.270 nan 0.000 0.419 344 Y N 1.218 121.449 120.300 -0.114 0.000 2.256 344 Y HA -0.218 4.331 4.550 -0.001 0.000 0.288 344 Y C 1.339 176.942 175.900 -0.495 0.000 1.155 344 Y CA 1.040 59.045 58.100 -0.157 0.000 1.203 344 Y CB -0.319 38.133 38.460 -0.014 0.000 0.980 344 Y HN 0.503 nan 8.280 nan 0.000 0.530 345 Q N 0.817 120.013 119.800 -1.007 0.000 2.364 345 Q HA -0.080 4.259 4.340 -0.001 0.000 0.207 345 Q C 1.258 176.908 176.000 -0.584 0.000 0.970 345 Q CA 1.643 56.655 55.803 -1.319 0.000 0.888 345 Q CB -0.133 28.068 28.738 -0.895 0.000 0.951 345 Q HN 0.723 nan 8.270 nan 0.000 0.469 346 E N -0.345 119.655 120.200 -0.332 0.000 2.481 346 E HA 0.075 4.425 4.350 -0.001 0.000 0.198 346 E C -0.152 176.417 176.600 -0.052 0.000 1.027 346 E CA -0.261 56.056 56.400 -0.139 0.000 0.900 346 E CB 0.541 30.167 29.700 -0.124 0.000 0.993 346 E HN 0.086 nan 8.360 nan 0.000 0.482 347 R N 1.131 121.619 120.500 -0.020 0.000 2.594 347 R HA 0.061 4.401 4.340 -0.001 0.000 0.272 347 R C 0.884 177.247 176.300 0.106 0.000 1.074 347 R CA 0.186 56.319 56.100 0.055 0.000 1.105 347 R CB 0.362 30.726 30.300 0.105 0.000 1.008 347 R HN 0.218 nan 8.270 nan 0.000 0.472 348 E N 1.299 121.545 120.200 0.076 0.000 2.160 348 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 348 E C 1.156 177.812 176.600 0.092 0.000 0.991 348 E CA 1.477 57.921 56.400 0.072 0.000 0.810 348 E CB 0.045 29.773 29.700 0.046 0.000 0.742 348 E HN 0.574 nan 8.360 nan 0.000 0.466 349 N N 0.240 119.011 118.700 0.119 0.000 2.336 349 N HA -0.095 4.645 4.740 -0.001 0.000 0.189 349 N C 1.324 176.920 175.510 0.143 0.000 1.113 349 N CA 0.195 53.309 53.050 0.107 0.000 0.858 349 N CB -0.188 38.365 38.487 0.110 0.000 0.970 349 N HN 0.122 nan 8.380 nan 0.000 0.471 350 F N 2.619 122.595 119.950 0.044 0.000 2.113 350 F HA 0.060 4.587 4.527 -0.001 0.000 0.297 350 F C 2.662 178.478 175.800 0.027 0.000 1.103 350 F CA 1.090 59.132 58.000 0.070 0.000 1.248 350 F CB -0.209 38.854 39.000 0.106 0.000 0.999 350 F HN -0.027 nan 8.300 nan 0.000 0.475 351 R N 0.342 120.840 120.500 -0.003 0.000 2.091 351 R HA -0.260 4.080 4.340 -0.001 0.000 0.238 351 R C 2.439 178.587 176.300 -0.254 0.000 1.136 351 R CA 2.042 58.058 56.100 -0.140 0.000 0.959 351 R CB -0.652 29.628 30.300 -0.032 0.000 0.856 351 R HN 0.535 nan 8.270 nan 0.000 0.437 352 Q N -0.192 119.458 119.800 -0.251 0.000 2.061 352 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 352 Q C 1.906 177.503 176.000 -0.671 0.000 0.984 352 Q CA 2.050 57.571 55.803 -0.470 0.000 0.846 352 Q CB -0.214 28.298 28.738 -0.376 0.000 0.902 352 Q HN 0.491 nan 8.270 nan 0.000 0.421 353 A N 0.415 123.018 122.820 -0.362 0.000 1.898 353 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 353 A C 2.294 179.773 177.584 -0.175 0.000 1.181 353 A CA 2.057 53.987 52.037 -0.178 0.000 0.620 353 A CB -1.200 17.778 19.000 -0.037 0.000 0.819 353 A HN 0.710 nan 8.150 nan 0.000 0.442 354 T N -2.019 112.330 114.554 -0.341 0.000 2.788 354 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 354 T C 1.726 176.347 174.700 -0.131 0.000 1.044 354 T CA 1.574 63.508 62.100 -0.276 0.000 1.139 354 T CB -0.362 68.225 68.868 -0.468 0.000 0.867 354 T HN 0.615 nan 8.240 nan 0.000 0.454 355 E N -0.143 119.943 120.200 -0.189 0.000 2.077 355 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 355 E C 1.764 178.397 176.600 0.055 0.000 0.989 355 E CA 1.100 57.437 56.400 -0.106 0.000 0.800 355 E CB -0.204 29.377 29.700 -0.199 0.000 0.746 355 E HN 0.543 nan 8.360 nan 0.000 0.452 356 F N 0.872 120.832 119.950 0.016 0.000 2.102 356 F HA -0.119 4.408 4.527 -0.001 0.000 0.298 356 F C 2.611 178.479 175.800 0.113 0.000 1.105 356 F CA 1.271 59.299 58.000 0.048 0.000 1.239 356 F CB -0.978 38.036 39.000 0.022 0.000 0.991 356 F HN 0.031 nan 8.300 nan 0.000 0.474 357 R N 0.875 121.559 120.500 0.307 0.000 2.092 357 R HA -0.040 4.299 4.340 -0.001 0.000 0.231 357 R C 2.135 178.592 176.300 0.262 0.000 1.119 357 R CA 1.491 57.775 56.100 0.307 0.000 0.970 357 R CB -0.973 29.483 30.300 0.259 0.000 0.864 357 R HN 0.174 nan 8.270 nan 0.000 0.440 358 A N 0.183 123.101 122.820 0.163 0.000 1.898 358 A HA 0.000 4.320 4.320 -0.001 0.000 0.216 358 A C 2.360 180.017 177.584 0.120 0.000 1.181 358 A CA 1.659 53.761 52.037 0.109 0.000 0.620 358 A CB -1.002 18.032 19.000 0.057 0.000 0.819 358 A HN 0.473 nan 8.150 nan 0.000 0.442 359 A N -1.030 121.889 122.820 0.165 0.000 1.902 359 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 359 A C 2.130 179.837 177.584 0.205 0.000 1.181 359 A CA 1.362 53.497 52.037 0.163 0.000 0.623 359 A CB -0.963 18.146 19.000 0.182 0.000 0.818 359 A HN 0.877 nan 8.150 nan 0.000 0.443 360 W N 1.169 122.509 121.300 0.066 0.000 2.355 360 W HA -0.204 4.456 4.660 -0.000 0.000 0.309 360 W C 1.043 177.586 176.519 0.039 0.000 1.206 360 W CA 2.011 59.382 57.345 0.043 0.000 1.284 360 W CB -0.319 29.163 29.460 0.038 0.000 1.145 360 W HN 0.394 nan 8.180 nan 0.000 0.502 361 D N 0.090 120.447 120.400 -0.071 0.000 2.144 361 D HA -0.122 4.518 4.640 -0.001 0.000 0.199 361 D C 2.380 178.537 176.300 -0.238 0.000 0.984 361 D CA 1.988 55.845 54.000 -0.238 0.000 0.834 361 D CB -1.099 39.671 40.800 -0.051 0.000 0.955 361 D HN 0.316 nan 8.370 nan 0.000 0.465 362 G N -0.241 108.494 108.800 -0.109 0.000 2.418 362 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 362 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 362 G C 1.556 176.364 174.900 -0.154 0.000 1.158 362 G CA 0.617 45.655 45.100 -0.103 0.000 0.771 362 G HN 0.325 nan 8.290 nan 0.000 0.545 363 W N 0.982 122.082 121.300 -0.333 0.000 2.355 363 W HA -0.107 4.553 4.660 -0.000 0.000 0.309 363 W C 2.489 178.628 176.519 -0.633 0.000 1.206 363 W CA 1.820 58.919 57.345 -0.410 0.000 1.284 363 W CB -0.304 28.948 29.460 -0.345 0.000 1.145 363 W HN 0.035 nan 8.180 nan 0.000 0.502 364 V N 1.738 121.217 119.914 -0.724 0.000 2.287 364 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 364 V C 2.665 178.314 176.094 -0.741 0.000 1.053 364 V CA 2.097 63.789 62.300 -1.014 0.000 1.027 364 V CB -0.922 30.338 31.823 -0.937 0.000 0.646 364 V HN 0.114 nan 8.190 nan 0.000 0.447 365 R N 0.250 120.454 120.500 -0.494 0.000 2.091 365 R HA -0.182 4.158 4.340 -0.001 0.000 0.238 365 R C 2.166 178.242 176.300 -0.372 0.000 1.136 365 R CA 1.572 57.465 56.100 -0.345 0.000 0.959 365 R CB -0.740 29.419 30.300 -0.235 0.000 0.856 365 R HN 0.648 nan 8.270 nan 0.000 0.437 366 E N 0.518 120.454 120.200 -0.440 0.000 2.118 366 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 366 E C 1.885 178.178 176.600 -0.512 0.000 0.992 366 E CA 0.945 57.088 56.400 -0.428 0.000 0.804 366 E CB 0.055 29.493 29.700 -0.436 0.000 0.741 366 E HN 0.267 nan 8.360 nan 0.000 0.458 367 Q N 0.332 119.665 119.800 -0.778 0.000 2.369 367 Q HA -0.093 4.246 4.340 -0.001 0.000 0.206 367 Q C 1.342 177.121 176.000 -0.369 0.000 0.963 367 Q CA 0.844 56.219 55.803 -0.712 0.000 0.894 367 Q CB 0.048 28.020 28.738 -1.277 0.000 0.965 367 Q HN 0.451 nan 8.270 nan 0.000 0.475 368 E N 0.858 120.868 120.200 -0.317 0.000 2.427 368 E HA -0.026 4.323 4.350 -0.001 0.000 0.196 368 E C 0.183 176.703 176.600 -0.135 0.000 1.028 368 E CA 0.455 56.757 56.400 -0.164 0.000 0.864 368 E CB 0.293 29.903 29.700 -0.151 0.000 0.813 368 E HN 0.159 nan 8.360 nan 0.000 0.514 369 S N -0.379 115.221 115.700 -0.167 0.000 2.468 369 S HA 0.403 4.873 4.470 -0.001 0.000 0.190 369 S C 0.671 175.193 174.600 -0.130 0.000 1.445 369 S CA -0.555 57.568 58.200 -0.128 0.000 1.084 369 S CB 1.139 64.262 63.200 -0.128 0.000 1.175 369 S HN 0.156 nan 8.310 nan 0.000 0.484 370 G N 1.058 109.794 108.800 -0.108 0.000 2.570 370 G HA2 0.143 4.103 3.960 -0.001 0.000 0.209 370 G HA3 0.143 4.103 3.960 -0.001 0.000 0.209 370 G C 0.367 175.228 174.900 -0.065 0.000 1.168 370 G CA 0.070 45.115 45.100 -0.090 0.000 0.831 370 G HN 0.644 nan 8.290 nan 0.000 0.564 371 D N 0.523 120.890 120.400 -0.055 0.000 2.837 371 D HA -0.124 4.516 4.640 -0.001 0.000 0.230 371 D C 0.848 177.129 176.300 -0.032 0.000 1.152 371 D CA 0.930 54.905 54.000 -0.041 0.000 0.736 371 D CB -1.116 39.656 40.800 -0.045 0.000 1.084 371 D HN 0.513 nan 8.370 nan 0.000 0.429 372 G N -0.877 107.905 108.800 -0.031 0.000 3.217 372 G HA2 0.670 4.630 3.960 -0.001 0.000 0.213 372 G HA3 0.670 4.630 3.960 -0.001 0.000 0.213 372 G C -0.360 174.529 174.900 -0.019 0.000 1.294 372 G CA -0.456 44.630 45.100 -0.024 0.000 0.987 372 G HN 0.026 nan 8.290 nan 0.000 0.584 373 M N 2.142 121.732 119.600 -0.017 0.000 2.268 373 M HA 0.371 4.851 4.480 -0.001 0.000 0.344 373 M C -1.915 174.371 176.300 -0.023 0.000 1.106 373 M CA -2.390 52.900 55.300 -0.016 0.000 1.010 373 M CB 0.819 33.412 32.600 -0.013 0.000 1.649 373 M HN 0.389 nan 8.290 nan 0.000 0.443 374 P HA 0.467 nan 4.420 nan 0.000 0.274 374 P C -1.047 176.238 177.300 -0.025 0.000 1.237 374 P CA -0.522 62.563 63.100 -0.026 0.000 0.793 374 P CB 0.533 32.210 31.700 -0.039 0.000 0.977 375 A N 1.218 124.029 122.820 -0.015 0.000 2.322 375 A HA 0.385 4.705 4.320 -0.001 0.000 0.269 375 A C 0.521 178.081 177.584 -0.041 0.000 1.094 375 A CA -0.382 51.646 52.037 -0.015 0.000 0.807 375 A CB 0.054 19.062 19.000 0.013 0.000 1.047 375 A HN 0.580 nan 8.150 nan 0.000 0.487 376 S N 1.230 116.902 115.700 -0.046 0.000 2.523 376 S HA 0.279 4.749 4.470 -0.001 0.000 0.275 376 S C 1.199 175.740 174.600 -0.099 0.000 1.281 376 S CA -0.445 57.718 58.200 -0.061 0.000 1.050 376 S CB 0.006 63.182 63.200 -0.040 0.000 0.937 376 S HN 0.563 nan 8.310 nan 0.000 0.492 377 M N 4.007 123.472 119.600 -0.226 0.000 2.296 377 M HA -0.023 4.457 4.480 -0.001 0.000 0.265 377 M C 1.052 177.180 176.300 -0.287 0.000 1.064 377 M CA 1.550 56.596 55.300 -0.424 0.000 1.109 377 M CB -0.355 31.767 32.600 -0.796 0.000 1.396 377 M HN 0.768 nan 8.290 nan 0.000 0.430 378 F N -0.047 119.797 119.950 -0.177 0.000 2.186 378 F HA -0.153 4.374 4.527 -0.001 0.000 0.299 378 F C 2.657 178.379 175.800 -0.130 0.000 1.090 378 F CA 1.337 59.242 58.000 -0.157 0.000 1.307 378 F CB -0.381 38.476 39.000 -0.240 0.000 1.019 378 F HN 0.065 nan 8.300 nan 0.000 0.489 379 R N 0.544 121.071 120.500 0.044 0.000 2.081 379 R HA -0.171 4.168 4.340 -0.001 0.000 0.235 379 R C 2.364 178.671 176.300 0.011 0.000 1.131 379 R CA 1.301 57.403 56.100 0.003 0.000 0.960 379 R CB -0.485 29.805 30.300 -0.016 0.000 0.856 379 R HN 0.253 nan 8.270 nan 0.000 0.436 380 A N 0.767 123.603 122.820 0.026 0.000 1.883 380 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 380 A C 2.139 179.745 177.584 0.038 0.000 1.186 380 A CA 1.559 53.638 52.037 0.071 0.000 0.624 380 A CB -0.397 18.724 19.000 0.203 0.000 0.822 380 A HN 0.282 nan 8.150 nan 0.000 0.444 381 M N -0.541 119.070 119.600 0.017 0.000 2.229 381 M HA -0.075 4.405 4.480 -0.001 0.000 0.264 381 M C 2.470 178.757 176.300 -0.022 0.000 1.063 381 M CA 1.399 56.696 55.300 -0.006 0.000 1.114 381 M CB -1.477 31.120 32.600 -0.005 0.000 1.387 381 M HN 0.504 nan 8.290 nan 0.000 0.420 382 A N 0.041 122.857 122.820 -0.006 0.000 1.933 382 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 382 A C 2.085 179.647 177.584 -0.037 0.000 1.175 382 A CA 1.353 53.377 52.037 -0.022 0.000 0.628 382 A CB -0.417 18.567 19.000 -0.026 0.000 0.814 382 A HN 0.429 nan 8.150 nan 0.000 0.444 383 E N -0.142 120.038 120.200 -0.032 0.000 2.072 383 E HA -0.092 4.258 4.350 -0.001 0.000 0.190 383 E C 2.212 178.763 176.600 -0.082 0.000 0.982 383 E CA 1.182 57.561 56.400 -0.036 0.000 0.803 383 E CB -0.577 29.117 29.700 -0.009 0.000 0.755 383 E HN 0.395 nan 8.360 nan 0.000 0.453 384 V N 1.743 121.572 119.914 -0.141 0.000 2.332 384 V HA -0.268 3.852 4.120 -0.001 0.000 0.248 384 V C 2.410 178.319 176.094 -0.308 0.000 1.055 384 V CA 1.796 63.886 62.300 -0.350 0.000 1.038 384 V CB -0.491 31.049 31.823 -0.472 0.000 0.651 384 V HN 0.206 nan 8.190 nan 0.000 0.450 385 R N -0.051 120.349 120.500 -0.167 0.000 2.159 385 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 385 R C 2.315 178.575 176.300 -0.066 0.000 1.131 385 R CA 1.262 57.302 56.100 -0.101 0.000 0.982 385 R CB -0.315 29.961 30.300 -0.041 0.000 0.868 385 R HN 0.525 nan 8.270 nan 0.000 0.453 386 K N 0.331 120.697 120.400 -0.057 0.000 2.209 386 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 386 K C 1.601 178.196 176.600 -0.008 0.000 1.048 386 K CA 1.311 57.583 56.287 -0.025 0.000 0.940 386 K CB 0.240 32.730 32.500 -0.018 0.000 0.729 386 K HN 0.170 nan 8.250 nan 0.000 0.451 387 V N -1.873 118.029 119.914 -0.019 0.000 3.276 387 V HA 0.167 4.287 4.120 -0.001 0.000 0.319 387 V C 0.040 176.192 176.094 0.096 0.000 1.427 387 V CA -0.633 61.697 62.300 0.050 0.000 1.102 387 V CB -0.065 31.822 31.823 0.106 0.000 1.020 387 V HN 0.063 nan 8.190 nan 0.000 0.456 388 Q N 1.830 121.639 119.800 0.016 0.000 2.278 388 Q HA 0.537 4.876 4.340 -0.001 0.000 0.257 388 Q C -0.358 175.694 176.000 0.086 0.000 0.928 388 Q CA -0.579 55.262 55.803 0.063 0.000 0.932 388 Q CB 1.433 30.125 28.738 -0.078 0.000 1.221 388 Q HN 0.628 nan 8.270 nan 0.000 0.434 389 R N 3.473 124.047 120.500 0.124 0.000 2.596 389 R HA 0.289 4.628 4.340 -0.001 0.000 0.267 389 R C -1.806 174.543 176.300 0.081 0.000 1.026 389 R CA -1.926 54.226 56.100 0.087 0.000 1.087 389 R CB 0.425 30.773 30.300 0.080 0.000 1.132 389 R HN 0.485 nan 8.270 nan 0.000 0.531 390 P HA -0.200 nan 4.420 nan 0.000 0.219 390 P C 0.594 177.926 177.300 0.054 0.000 1.146 390 P CA 1.192 64.323 63.100 0.053 0.000 0.808 390 P CB 0.211 31.934 31.700 0.038 0.000 0.779 391 E N -1.023 119.208 120.200 0.052 0.000 2.478 391 E HA -0.016 4.334 4.350 -0.001 0.000 0.194 391 E C -0.099 176.538 176.600 0.061 0.000 1.045 391 E CA 0.454 56.880 56.400 0.044 0.000 0.868 391 E CB -0.581 29.136 29.700 0.027 0.000 0.885 391 E HN 0.209 nan 8.360 nan 0.000 0.505 392 D N 1.396 121.856 120.400 0.100 0.000 2.344 392 D HA 0.326 4.966 4.640 -0.001 0.000 0.244 392 D C 0.104 176.498 176.300 0.157 0.000 1.134 392 D CA -0.125 53.961 54.000 0.144 0.000 0.930 392 D CB 1.250 42.211 40.800 0.269 0.000 1.175 392 D HN 0.082 nan 8.370 nan 0.000 0.437 393 I N 1.658 122.327 120.570 0.165 0.000 2.474 393 I HA 0.238 4.407 4.170 -0.001 0.000 0.294 393 I C -0.333 175.913 176.117 0.216 0.000 1.005 393 I CA -0.842 60.547 61.300 0.147 0.000 1.113 393 I CB 1.663 39.714 38.000 0.085 0.000 1.289 393 I HN 0.006 nan 8.210 nan 0.000 0.436 394 I N 6.761 127.445 120.570 0.190 0.000 2.354 394 I HA 0.430 4.600 4.170 -0.001 0.000 0.292 394 I C -0.057 176.156 176.117 0.161 0.000 0.989 394 I CA -0.643 60.778 61.300 0.200 0.000 1.188 394 I CB 1.502 39.609 38.000 0.179 0.000 1.342 394 I HN 0.147 nan 8.210 nan 0.000 0.457 395 V N 4.777 124.783 119.914 0.153 0.000 2.769 395 V HA 0.680 4.800 4.120 -0.001 0.000 0.312 395 V C 0.076 176.252 176.094 0.137 0.000 1.061 395 V CA -0.528 61.840 62.300 0.113 0.000 0.931 395 V CB 2.218 34.077 31.823 0.060 0.000 1.010 395 V HN 0.859 nan 8.190 nan 0.000 0.433 396 T N 1.071 115.703 114.554 0.129 0.000 2.906 396 T HA 0.415 4.765 4.350 -0.001 0.000 0.295 396 T C -0.970 173.789 174.700 0.097 0.000 1.075 396 T CA -0.395 61.792 62.100 0.146 0.000 1.005 396 T CB 2.036 70.976 68.868 0.119 0.000 1.136 396 T HN 0.853 nan 8.240 nan 0.000 0.498 397 D N 0.622 121.156 120.400 0.223 0.000 2.560 397 D HA 0.426 5.065 4.640 -0.001 0.000 0.277 397 D C -0.440 175.876 176.300 0.027 0.000 1.194 397 D CA -0.440 53.672 54.000 0.185 0.000 1.092 397 D CB 0.952 41.889 40.800 0.228 0.000 1.169 397 D HN 0.358 nan 8.370 nan 0.000 0.607 398 I N 0.554 121.126 120.570 0.004 0.000 2.355 398 I HA 0.578 4.747 4.170 -0.001 0.000 0.288 398 I C 0.878 176.936 176.117 -0.098 0.000 0.999 398 I CA -0.221 61.009 61.300 -0.117 0.000 1.163 398 I CB 0.258 38.265 38.000 0.011 0.000 1.316 398 I HN 0.535 nan 8.210 nan 0.000 0.454 399 G N 5.138 113.750 108.800 -0.312 0.000 2.323 399 G HA2 0.000 3.960 3.960 -0.001 0.000 0.291 399 G HA3 0.000 3.960 3.960 -0.001 0.000 0.291 399 G C 0.246 175.041 174.900 -0.175 0.000 1.278 399 G CA -0.543 44.499 45.100 -0.097 0.000 0.860 399 G HN 0.310 nan 8.290 nan 0.000 0.504 400 N N 0.303 119.017 118.700 0.023 0.000 2.091 400 N HA -0.165 4.575 4.740 -0.001 0.000 0.193 400 N C 2.033 177.484 175.510 -0.098 0.000 1.021 400 N CA 1.989 55.038 53.050 -0.002 0.000 0.862 400 N CB -0.514 38.017 38.487 0.073 0.000 1.018 400 N HN 0.748 nan 8.380 nan 0.000 0.429 401 H N -0.945 118.085 119.070 -0.066 0.000 2.518 401 H HA 0.034 4.590 4.556 -0.001 0.000 0.289 401 H C 1.135 176.363 175.328 -0.167 0.000 1.051 401 H CA 1.373 57.337 56.048 -0.139 0.000 1.280 401 H CB -0.905 28.864 29.762 0.012 0.000 1.380 401 H HN 0.069 nan 8.280 nan 0.000 0.566 402 T N 2.080 116.264 114.554 -0.617 0.000 2.759 402 T HA -0.116 4.234 4.350 -0.001 0.000 0.269 402 T C 2.245 176.618 174.700 -0.546 0.000 1.042 402 T CA 1.181 62.897 62.100 -0.640 0.000 1.140 402 T CB -0.326 68.095 68.868 -0.746 0.000 0.864 402 T HN 0.307 nan 8.240 nan 0.000 0.455 403 L N 1.375 122.383 121.223 -0.358 0.000 1.994 403 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 403 L C -0.831 175.980 176.870 -0.098 0.000 1.071 403 L CA 1.451 56.192 54.840 -0.165 0.000 0.745 403 L CB -0.890 41.138 42.059 -0.052 0.000 0.892 403 L HN 0.162 nan 8.230 nan 0.000 0.431 404 P HA -0.139 nan 4.420 nan 0.000 0.218 404 P C 1.771 178.801 177.300 -0.448 0.000 1.149 404 P CA 1.263 63.826 63.100 -0.894 0.000 0.817 404 P CB -0.035 31.026 31.700 -1.065 0.000 0.785 405 M N -1.935 117.565 119.600 -0.167 0.000 2.086 405 M HA -0.091 4.388 4.480 -0.001 0.000 0.261 405 M C 2.164 178.633 176.300 0.282 0.000 1.067 405 M CA 1.768 57.106 55.300 0.063 0.000 1.116 405 M CB -1.736 30.939 32.600 0.125 0.000 1.348 405 M HN 0.025 nan 8.290 nan 0.000 0.407 406 F N -0.298 119.694 119.950 0.070 0.000 2.186 406 F HA -0.091 4.435 4.527 -0.001 0.000 0.299 406 F C 2.431 178.484 175.800 0.421 0.000 1.090 406 F CA 0.610 58.723 58.000 0.188 0.000 1.307 406 F CB -0.491 38.578 39.000 0.115 0.000 1.019 406 F HN 0.270 nan 8.300 nan 0.000 0.489 407 G N -0.494 108.648 108.800 0.571 0.000 2.464 407 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.217 407 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.217 407 G C 1.712 176.871 174.900 0.431 0.000 1.138 407 G CA 0.753 46.250 45.100 0.662 0.000 0.793 407 G HN 0.441 nan 8.290 nan 0.000 0.539 408 G N -0.108 108.860 108.800 0.280 0.000 2.939 408 G HA2 0.415 4.375 3.960 -0.001 0.000 0.210 408 G HA3 0.415 4.375 3.960 -0.001 0.000 0.210 408 G C 0.690 175.705 174.900 0.192 0.000 1.160 408 G CA 0.632 45.843 45.100 0.184 0.000 0.770 408 G HN 0.600 nan 8.290 nan 0.000 0.543 409 A N 0.815 123.809 122.820 0.291 0.000 2.347 409 A HA 0.650 4.970 4.320 -0.001 0.000 0.287 409 A C -0.373 177.451 177.584 0.399 0.000 1.199 409 A CA -0.122 52.083 52.037 0.280 0.000 0.851 409 A CB -0.042 19.116 19.000 0.264 0.000 1.118 409 A HN 0.248 nan 8.150 nan 0.000 0.525 410 I N 4.321 125.068 120.570 0.295 0.000 2.448 410 I HA 0.306 4.476 4.170 -0.001 0.000 0.281 410 I C -0.785 175.457 176.117 0.208 0.000 1.027 410 I CA -0.078 61.431 61.300 0.347 0.000 1.111 410 I CB 1.187 39.356 38.000 0.282 0.000 1.236 410 I HN 0.497 nan 8.210 nan 0.000 0.452 411 L N 5.720 127.049 121.223 0.177 0.000 2.342 411 L HA 0.489 4.829 4.340 -0.001 0.000 0.271 411 L C 0.525 177.435 176.870 0.066 0.000 1.008 411 L CA -0.571 54.330 54.840 0.101 0.000 0.818 411 L CB 2.102 44.206 42.059 0.075 0.000 1.296 411 L HN 0.515 nan 8.230 nan 0.000 0.427 412 Q N 1.090 120.918 119.800 0.047 0.000 2.245 412 Q HA 0.321 4.660 4.340 -0.001 0.000 0.236 412 Q C -0.102 175.904 176.000 0.010 0.000 0.842 412 Q CA 0.244 56.058 55.803 0.019 0.000 0.945 412 Q CB 1.769 30.523 28.738 0.026 0.000 1.122 412 Q HN 0.577 nan 8.270 nan 0.000 0.506 413 R N 0.611 121.124 120.500 0.021 0.000 2.836 413 R HA 0.541 4.880 4.340 -0.001 0.000 0.269 413 R C -2.702 173.609 176.300 0.018 0.000 1.010 413 R CA -1.927 54.183 56.100 0.017 0.000 0.930 413 R CB 1.475 31.786 30.300 0.020 0.000 1.218 413 R HN -0.137 nan 8.270 nan 0.000 0.473 414 P HA 0.180 nan 4.420 nan 0.000 0.276 414 P C -0.730 176.575 177.300 0.008 0.000 1.252 414 P CA -0.397 62.705 63.100 0.005 0.000 0.802 414 P CB 0.569 32.262 31.700 -0.011 0.000 1.035 415 R N 0.249 120.761 120.500 0.020 0.000 3.525 415 R HA -0.167 4.173 4.340 -0.001 0.000 0.276 415 R C 0.312 176.684 176.300 0.120 0.000 1.116 415 R CA 0.454 56.582 56.100 0.047 0.000 0.745 415 R CB -2.070 28.155 30.300 -0.124 0.000 1.185 415 R HN 0.554 nan 8.270 nan 0.000 0.454 416 R N -0.260 120.307 120.500 0.111 0.000 2.362 416 R HA 0.219 4.558 4.340 -0.001 0.000 0.227 416 R C 0.495 176.868 176.300 0.122 0.000 0.905 416 R CA -0.243 55.922 56.100 0.108 0.000 1.067 416 R CB 0.308 30.660 30.300 0.087 0.000 1.078 416 R HN 0.085 nan 8.270 nan 0.000 0.516 417 L N 0.722 122.022 121.223 0.128 0.000 2.349 417 L HA 0.448 4.788 4.340 -0.001 0.000 0.278 417 L C -1.171 175.724 176.870 0.042 0.000 0.996 417 L CA -0.800 54.087 54.840 0.078 0.000 0.825 417 L CB 2.137 44.185 42.059 -0.017 0.000 1.243 417 L HN -0.271 nan 8.230 nan 0.000 0.412 418 V N 4.379 124.309 119.914 0.027 0.000 2.588 418 V HA 0.873 4.993 4.120 -0.001 0.000 0.304 418 V C -0.104 175.962 176.094 -0.047 0.000 1.042 418 V CA -0.220 62.023 62.300 -0.096 0.000 0.877 418 V CB 1.751 33.567 31.823 -0.012 0.000 0.996 418 V HN 0.898 nan 8.190 nan 0.000 0.425 419 T N 1.662 116.147 114.554 -0.115 0.000 2.658 419 T HA 0.238 4.587 4.350 -0.001 0.000 0.306 419 T C -0.643 174.013 174.700 -0.073 0.000 1.544 419 T CA -0.018 62.044 62.100 -0.062 0.000 0.991 419 T CB 1.784 70.675 68.868 0.038 0.000 1.774 419 T HN 0.656 nan 8.240 nan 0.000 0.479 420 S N 2.340 118.004 115.700 -0.059 0.000 4.120 420 S HA 0.170 4.640 4.470 -0.001 0.000 0.215 420 S C 1.769 176.421 174.600 0.087 0.000 1.347 420 S CA -0.522 57.711 58.200 0.055 0.000 0.889 420 S CB -0.847 62.374 63.200 0.035 0.000 1.585 420 S HN 0.503 nan 8.310 nan 0.000 0.447 421 M N 2.183 121.823 119.600 0.068 0.000 2.086 421 M HA -0.086 4.394 4.480 -0.001 0.000 0.261 421 M C 2.366 178.741 176.300 0.125 0.000 1.067 421 M CA 1.709 57.073 55.300 0.107 0.000 1.116 421 M CB -1.551 31.076 32.600 0.045 0.000 1.348 421 M HN 0.733 nan 8.290 nan 0.000 0.407 422 A N -0.802 122.070 122.820 0.086 0.000 2.021 422 A HA -0.048 4.272 4.320 -0.001 0.000 0.216 422 A C 1.864 179.425 177.584 -0.038 0.000 1.163 422 A CA 1.083 53.147 52.037 0.045 0.000 0.676 422 A CB -0.046 18.981 19.000 0.046 0.000 0.818 422 A HN 0.438 nan 8.150 nan 0.000 0.453 423 E N -1.728 118.467 120.200 -0.010 0.000 2.572 423 E HA 0.188 4.538 4.350 -0.001 0.000 0.220 423 E C 0.823 177.383 176.600 -0.067 0.000 0.945 423 E CA 0.546 56.898 56.400 -0.080 0.000 1.070 423 E CB 0.266 29.971 29.700 0.009 0.000 1.090 423 E HN 0.646 nan 8.360 nan 0.000 0.506 424 G N 2.868 111.699 108.800 0.050 0.000 2.366 424 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.299 424 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.299 424 G C 0.203 175.158 174.900 0.092 0.000 1.020 424 G CA 0.310 45.487 45.100 0.128 0.000 1.026 424 G HN 0.230 nan 8.290 nan 0.000 0.512 425 I N 0.272 120.900 120.570 0.096 0.000 2.322 425 I HA 0.238 4.407 4.170 -0.001 0.000 0.292 425 I C 0.937 177.018 176.117 -0.060 0.000 1.060 425 I CA -1.051 60.314 61.300 0.109 0.000 1.309 425 I CB 0.963 39.167 38.000 0.341 0.000 1.415 425 I HN 0.163 nan 8.210 nan 0.000 0.492 426 L N 6.955 128.102 121.223 -0.127 0.000 2.525 426 L HA 0.275 4.615 4.340 -0.001 0.000 0.278 426 L C 1.142 177.583 176.870 -0.716 0.000 1.218 426 L CA 1.432 56.080 54.840 -0.320 0.000 0.878 426 L CB 0.386 42.289 42.059 -0.260 0.000 1.127 426 L HN 0.901 nan 8.230 nan 0.000 0.492 427 G N 1.938 110.419 108.800 -0.532 0.000 2.232 427 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.226 427 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.226 427 G C 1.175 175.914 174.900 -0.267 0.000 0.996 427 G CA 0.669 45.554 45.100 -0.359 0.000 0.626 427 G HN 1.270 nan 8.290 nan 0.000 0.509 428 C N 0.943 119.816 119.300 -0.711 0.000 2.403 428 C HA 0.270 4.729 4.460 -0.001 0.000 0.279 428 C C 3.005 177.618 174.990 -0.629 0.000 1.269 428 C CA 1.402 59.627 59.018 -1.322 0.000 1.774 428 C CB -1.540 25.314 27.740 -1.477 0.000 1.993 428 C HN 1.205 nan 8.230 nan 0.000 0.496 429 G N -0.201 108.429 108.800 -0.285 0.000 2.433 429 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 429 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 429 G C 1.335 176.210 174.900 -0.042 0.000 1.186 429 G CA 0.981 46.009 45.100 -0.119 0.000 0.779 429 G HN 0.524 nan 8.290 nan 0.000 0.543 430 F N 3.022 122.892 119.950 -0.133 0.000 2.069 430 F HA -0.020 4.507 4.527 -0.001 0.000 0.298 430 F C 0.299 176.031 175.800 -0.114 0.000 1.113 430 F CA 1.568 59.490 58.000 -0.130 0.000 1.214 430 F CB -0.703 38.221 39.000 -0.127 0.000 0.978 430 F HN 0.143 nan 8.300 nan 0.000 0.474 431 P HA -0.157 nan 4.420 nan 0.000 0.218 431 P C 1.966 179.204 177.300 -0.104 0.000 1.152 431 P CA 1.765 64.760 63.100 -0.175 0.000 0.826 431 P CB -0.285 31.388 31.700 -0.045 0.000 0.790 432 M N -0.269 119.281 119.600 -0.082 0.000 2.159 432 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 432 M C 2.342 178.615 176.300 -0.045 0.000 1.063 432 M CA 2.057 57.355 55.300 -0.005 0.000 1.110 432 M CB -0.900 31.687 32.600 -0.023 0.000 1.374 432 M HN -0.077 nan 8.290 nan 0.000 0.411 433 A N 0.650 123.400 122.820 -0.117 0.000 1.902 433 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 433 A C 2.086 179.565 177.584 -0.175 0.000 1.181 433 A CA 1.366 53.327 52.037 -0.127 0.000 0.623 433 A CB -0.917 18.000 19.000 -0.139 0.000 0.818 433 A HN 0.463 nan 8.150 nan 0.000 0.443 434 L N -0.776 120.273 121.223 -0.289 0.000 2.046 434 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 434 L C 2.838 179.651 176.870 -0.095 0.000 1.077 434 L CA 1.154 55.844 54.840 -0.250 0.000 0.747 434 L CB -0.955 40.891 42.059 -0.356 0.000 0.896 434 L HN 0.497 nan 8.230 nan 0.000 0.432 435 G N -0.326 108.459 108.800 -0.026 0.000 2.418 435 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 435 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 435 G C 1.792 176.729 174.900 0.062 0.000 1.158 435 G CA 0.802 45.961 45.100 0.099 0.000 0.771 435 G HN 0.460 nan 8.290 nan 0.000 0.545 436 A N 0.260 123.082 122.820 0.004 0.000 1.902 436 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 436 A C 2.310 179.836 177.584 -0.097 0.000 1.181 436 A CA 2.267 54.276 52.037 -0.046 0.000 0.623 436 A CB -0.463 18.536 19.000 -0.001 0.000 0.818 436 A HN 0.422 nan 8.150 nan 0.000 0.443 437 Q N -0.103 119.649 119.800 -0.080 0.000 2.124 437 Q HA -0.065 4.275 4.340 -0.001 0.000 0.202 437 Q C 1.804 177.760 176.000 -0.074 0.000 0.977 437 Q CA 1.612 57.365 55.803 -0.083 0.000 0.850 437 Q CB -0.511 28.174 28.738 -0.088 0.000 0.901 437 Q HN 0.657 nan 8.270 nan 0.000 0.429 438 L N -0.384 120.815 121.223 -0.040 0.000 2.083 438 L HA -0.151 4.189 4.340 -0.001 0.000 0.209 438 L C 2.362 179.182 176.870 -0.083 0.000 1.083 438 L CA 1.131 55.987 54.840 0.027 0.000 0.752 438 L CB -0.643 41.522 42.059 0.177 0.000 0.899 438 L HN 0.316 nan 8.230 nan 0.000 0.433 439 A N -0.718 121.839 122.820 -0.438 0.000 1.930 439 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 439 A C 1.049 178.423 177.584 -0.351 0.000 1.175 439 A CA 1.091 52.612 52.037 -0.861 0.000 0.627 439 A CB -0.113 18.257 19.000 -1.048 0.000 0.815 439 A HN 0.430 nan 8.150 nan 0.000 0.443 440 E N -0.682 119.392 120.200 -0.209 0.000 2.795 440 E HA 0.188 4.538 4.350 -0.001 0.000 0.226 440 E C -2.244 174.309 176.600 -0.078 0.000 1.088 440 E CA -1.827 54.501 56.400 -0.120 0.000 0.812 440 E CB 1.247 30.888 29.700 -0.099 0.000 1.328 440 E HN 0.225 nan 8.360 nan 0.000 0.410 441 P HA -0.142 nan 4.420 nan 0.000 0.219 441 P C 0.614 177.894 177.300 -0.034 0.000 1.146 441 P CA 1.084 64.162 63.100 -0.036 0.000 0.808 441 P CB 0.320 32.010 31.700 -0.017 0.000 0.779 442 N N -1.564 117.116 118.700 -0.032 0.000 2.236 442 N HA 0.070 4.810 4.740 -0.001 0.000 0.196 442 N C 0.167 175.660 175.510 -0.028 0.000 1.114 442 N CA 0.261 53.295 53.050 -0.026 0.000 0.859 442 N CB 0.072 38.549 38.487 -0.016 0.000 0.982 442 N HN 0.054 nan 8.380 nan 0.000 0.493 443 S N 0.681 116.359 115.700 -0.036 0.000 2.601 443 S HA 0.246 4.715 4.470 -0.001 0.000 0.271 443 S C 0.527 175.090 174.600 -0.062 0.000 1.305 443 S CA -0.513 57.668 58.200 -0.031 0.000 1.022 443 S CB 1.838 65.023 63.200 -0.025 0.000 0.940 443 S HN 0.198 nan 8.310 nan 0.000 0.525 444 R N 1.318 121.776 120.500 -0.070 0.000 2.349 444 R HA 0.507 4.847 4.340 -0.001 0.000 0.299 444 R C -1.517 174.643 176.300 -0.234 0.000 1.027 444 R CA -0.302 55.672 56.100 -0.210 0.000 0.958 444 R CB 0.497 30.633 30.300 -0.273 0.000 1.047 444 R HN 0.429 nan 8.270 nan 0.000 0.468 445 V N 5.759 125.468 119.914 -0.341 0.000 2.407 445 V HA 0.404 4.524 4.120 -0.001 0.000 0.291 445 V C -0.987 174.922 176.094 -0.309 0.000 1.018 445 V CA -0.605 61.578 62.300 -0.195 0.000 0.842 445 V CB 1.249 33.004 31.823 -0.113 0.000 0.996 445 V HN 0.605 nan 8.190 nan 0.000 0.426 446 F N 5.380 125.345 119.950 0.024 0.000 2.426 446 F HA 0.655 5.182 4.527 -0.001 0.000 0.348 446 F C -0.220 175.596 175.800 0.027 0.000 1.124 446 F CA -0.688 57.328 58.000 0.027 0.000 1.008 446 F CB 1.738 40.761 39.000 0.039 0.000 1.139 446 F HN 0.342 nan 8.300 nan 0.000 0.452 447 L N 3.395 124.716 121.223 0.164 0.000 2.313 447 L HA 0.843 5.183 4.340 -0.001 0.000 0.283 447 L C -0.176 176.707 176.870 0.022 0.000 1.013 447 L CA -0.280 54.615 54.840 0.093 0.000 0.816 447 L CB 1.476 43.572 42.059 0.062 0.000 1.236 447 L HN 0.610 nan 8.230 nan 0.000 0.419 448 G N 2.504 111.332 108.800 0.047 0.000 2.384 448 G HA2 0.517 4.476 3.960 -0.001 0.000 0.316 448 G HA3 0.517 4.476 3.960 -0.001 0.000 0.316 448 G C -0.847 174.037 174.900 -0.027 0.000 1.160 448 G CA -0.269 44.802 45.100 -0.047 0.000 0.936 448 G HN 0.672 nan 8.290 nan 0.000 0.455 449 T N 1.192 115.525 114.554 -0.368 0.000 2.876 449 T HA 0.676 5.026 4.350 -0.001 0.000 0.289 449 T C 0.798 175.126 174.700 -0.621 0.000 1.014 449 T CA 0.092 61.957 62.100 -0.391 0.000 0.986 449 T CB 1.236 69.954 68.868 -0.250 0.000 1.021 449 T HN 0.707 nan 8.240 nan 0.000 0.458 450 G N 2.123 110.325 108.800 -0.997 0.000 2.636 450 G HA2 0.247 4.207 3.960 -0.001 0.000 0.246 450 G HA3 0.247 4.207 3.960 -0.001 0.000 0.246 450 G C 0.810 175.623 174.900 -0.146 0.000 1.216 450 G CA -0.048 44.795 45.100 -0.429 0.000 0.854 450 G HN 0.850 nan 8.290 nan 0.000 0.572 451 D N -0.172 120.253 120.400 0.043 0.000 2.123 451 D HA -0.072 4.567 4.640 -0.001 0.000 0.200 451 D C 2.275 178.821 176.300 0.410 0.000 0.976 451 D CA 1.281 55.394 54.000 0.187 0.000 0.831 451 D CB -1.028 40.001 40.800 0.382 0.000 0.974 451 D HN 0.485 nan 8.370 nan 0.000 0.469 452 G N 0.650 109.732 108.800 0.471 0.000 2.442 452 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.219 452 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.219 452 G C 1.763 176.969 174.900 0.509 0.000 1.141 452 G CA 1.569 46.901 45.100 0.388 0.000 0.763 452 G HN 0.531 nan 8.290 nan 0.000 0.554 453 A N 0.390 123.435 122.820 0.376 0.000 1.873 453 A HA 0.121 4.441 4.320 -0.001 0.000 0.215 453 A C 2.320 180.062 177.584 0.264 0.000 1.186 453 A CA 1.559 53.755 52.037 0.265 0.000 0.616 453 A CB -0.480 18.610 19.000 0.150 0.000 0.823 453 A HN 0.426 nan 8.150 nan 0.000 0.442 454 L N -1.454 119.832 121.223 0.105 0.000 2.191 454 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 454 L C 2.124 179.172 176.870 0.297 0.000 1.103 454 L CA 1.612 56.439 54.840 -0.021 0.000 0.769 454 L CB -0.946 40.800 42.059 -0.522 0.000 0.908 454 L HN 0.495 nan 8.230 nan 0.000 0.438 455 Y N -1.659 118.870 120.300 0.382 0.000 2.228 455 Y HA -0.384 4.165 4.550 -0.001 0.000 0.285 455 Y C 2.188 178.324 175.900 0.392 0.000 1.178 455 Y CA 2.124 60.523 58.100 0.497 0.000 1.202 455 Y CB -0.321 38.258 38.460 0.198 0.000 0.974 455 Y HN 0.233 nan 8.280 nan 0.000 0.527 456 Y N -1.511 118.937 120.300 0.246 0.000 2.089 456 Y HA -0.238 4.312 4.550 -0.001 0.000 0.282 456 Y C 1.975 177.694 175.900 -0.302 0.000 1.139 456 Y CA 1.846 59.882 58.100 -0.106 0.000 1.123 456 Y CB -0.421 37.888 38.460 -0.252 0.000 0.980 456 Y HN 0.146 nan 8.280 nan 0.000 0.493 457 H N -1.372 117.921 119.070 0.371 0.000 2.567 457 H HA 0.120 4.676 4.556 -0.001 0.000 0.267 457 H C 1.227 176.690 175.328 0.225 0.000 1.148 457 H CA -0.156 56.049 56.048 0.263 0.000 1.031 457 H CB -0.503 29.437 29.762 0.298 0.000 1.691 457 H HN 0.430 nan 8.280 nan 0.000 0.588 458 F N 2.101 122.136 119.950 0.143 0.000 2.451 458 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 458 F C 1.784 177.656 175.800 0.120 0.000 1.101 458 F CA 0.603 58.579 58.000 -0.041 0.000 1.436 458 F CB -0.318 38.720 39.000 0.064 0.000 1.074 458 F HN -0.039 nan 8.300 nan 0.000 0.553 459 N N 0.710 119.184 118.700 -0.378 0.000 2.258 459 N HA -0.248 4.491 4.740 -0.001 0.000 0.187 459 N C 0.967 176.509 175.510 0.054 0.000 1.012 459 N CA 1.646 54.614 53.050 -0.136 0.000 0.870 459 N CB -1.045 37.390 38.487 -0.087 0.000 0.977 459 N HN 0.460 nan 8.380 nan 0.000 0.434 460 E N -0.367 119.928 120.200 0.160 0.000 2.516 460 E HA -0.005 4.345 4.350 -0.001 0.000 0.199 460 E C 0.939 177.626 176.600 0.145 0.000 1.069 460 E CA -0.089 56.419 56.400 0.180 0.000 0.876 460 E CB -0.557 29.253 29.700 0.182 0.000 0.843 460 E HN 0.481 nan 8.360 nan 0.000 0.530 461 F N 1.267 121.239 119.950 0.038 0.000 2.236 461 F HA -0.220 4.307 4.527 -0.001 0.000 0.302 461 F C 2.610 178.330 175.800 -0.134 0.000 1.073 461 F CA 1.167 59.057 58.000 -0.183 0.000 1.336 461 F CB -0.059 38.460 39.000 -0.802 0.000 1.040 461 F HN 0.036 nan 8.300 nan 0.000 0.507 462 R N 0.256 120.813 120.500 0.095 0.000 2.083 462 R HA -0.178 4.161 4.340 -0.001 0.000 0.237 462 R C 2.080 178.505 176.300 0.208 0.000 1.137 462 R CA 1.934 58.198 56.100 0.273 0.000 0.951 462 R CB -0.577 29.891 30.300 0.279 0.000 0.851 462 R HN 0.166 nan 8.270 nan 0.000 0.434 463 V N 0.878 120.896 119.914 0.174 0.000 2.307 463 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 463 V C 2.491 178.703 176.094 0.196 0.000 1.045 463 V CA 1.902 64.325 62.300 0.205 0.000 1.024 463 V CB -0.756 31.137 31.823 0.117 0.000 0.651 463 V HN 0.568 nan 8.190 nan 0.000 0.449 464 A N 0.499 123.387 122.820 0.114 0.000 1.908 464 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 464 A C 2.412 180.101 177.584 0.175 0.000 1.181 464 A CA 2.430 54.528 52.037 0.102 0.000 0.627 464 A CB -0.750 18.294 19.000 0.073 0.000 0.818 464 A HN 0.622 nan 8.150 nan 0.000 0.445 465 V N -2.319 117.727 119.914 0.220 0.000 2.323 465 V HA -0.164 3.955 4.120 -0.001 0.000 0.244 465 V C 1.925 178.085 176.094 0.110 0.000 1.041 465 V CA 2.124 64.541 62.300 0.196 0.000 1.025 465 V CB -1.092 30.881 31.823 0.250 0.000 0.656 465 V HN 0.573 nan 8.190 nan 0.000 0.451 466 E N -0.207 120.037 120.200 0.073 0.000 2.077 466 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 466 E C 2.084 178.553 176.600 -0.217 0.000 0.989 466 E CA 1.674 58.019 56.400 -0.092 0.000 0.800 466 E CB -0.261 29.333 29.700 -0.177 0.000 0.746 466 E HN 0.752 nan 8.360 nan 0.000 0.452 467 H N 0.006 119.104 119.070 0.046 0.000 2.539 467 H HA 0.119 4.675 4.556 -0.001 0.000 0.269 467 H C 0.197 175.542 175.328 0.028 0.000 0.980 467 H CA 0.266 56.330 56.048 0.028 0.000 1.152 467 H CB 0.504 30.274 29.762 0.014 0.000 1.407 467 H HN -0.070 nan 8.280 nan 0.000 0.564 468 K N 0.949 121.412 120.400 0.104 0.000 3.419 468 K HA -0.160 4.159 4.320 -0.001 0.000 0.272 468 K C -0.689 175.954 176.600 0.072 0.000 0.973 468 K CA 0.192 56.528 56.287 0.081 0.000 0.749 468 K CB -1.795 30.738 32.500 0.055 0.000 1.403 468 K HN 0.416 nan 8.250 nan 0.000 0.456 469 L N 2.513 123.780 121.223 0.074 0.000 2.270 469 L HA 0.224 4.563 4.340 -0.001 0.000 0.286 469 L C -1.335 175.542 176.870 0.012 0.000 1.059 469 L CA -1.572 53.282 54.840 0.023 0.000 0.839 469 L CB 0.936 42.991 42.059 -0.006 0.000 1.221 469 L HN -0.047 nan 8.230 nan 0.000 0.431 470 P HA 0.078 nan 4.420 nan 0.000 0.214 470 P C 0.047 177.314 177.300 -0.055 0.000 1.807 470 P CA -0.142 62.954 63.100 -0.008 0.000 0.921 470 P CB 0.208 31.894 31.700 -0.024 0.000 1.835 471 V N 2.645 122.531 119.914 -0.047 0.000 2.599 471 V HA -0.027 4.093 4.120 -0.001 0.000 0.300 471 V C 1.137 177.222 176.094 -0.016 0.000 1.034 471 V CA 0.411 62.666 62.300 -0.075 0.000 1.115 471 V CB 0.301 32.070 31.823 -0.090 0.000 0.934 471 V HN 0.233 nan 8.190 nan 0.000 0.485 472 I N 4.559 125.078 120.570 -0.086 0.000 2.307 472 I HA 0.258 4.427 4.170 -0.001 0.000 0.287 472 I C 0.467 176.626 176.117 0.070 0.000 1.054 472 I CA 0.193 61.492 61.300 -0.001 0.000 1.218 472 I CB 0.590 38.553 38.000 -0.062 0.000 1.398 472 I HN 0.558 nan 8.210 nan 0.000 0.475 473 T N 7.805 122.412 114.554 0.088 0.000 2.767 473 T HA 0.518 4.868 4.350 -0.001 0.000 0.284 473 T C 0.344 174.997 174.700 -0.079 0.000 0.973 473 T CA -0.443 61.672 62.100 0.024 0.000 0.996 473 T CB 1.047 69.949 68.868 0.056 0.000 0.927 473 T HN 0.338 nan 8.240 nan 0.000 0.456 474 M N 3.419 122.892 119.600 -0.212 0.000 2.080 474 M HA 0.373 4.852 4.480 -0.001 0.000 0.350 474 M C -0.272 175.592 176.300 -0.726 0.000 1.173 474 M CA -0.754 54.296 55.300 -0.418 0.000 1.052 474 M CB 1.488 33.799 32.600 -0.481 0.000 1.577 474 M HN 0.280 nan 8.290 nan 0.000 0.455 475 V N 5.869 125.428 119.914 -0.593 0.000 2.364 475 V HA 0.401 4.520 4.120 -0.001 0.000 0.272 475 V C -0.921 174.891 176.094 -0.470 0.000 1.036 475 V CA -0.311 61.607 62.300 -0.636 0.000 0.880 475 V CB 0.248 31.618 31.823 -0.756 0.000 0.991 475 V HN 0.647 nan 8.190 nan 0.000 0.460 476 F N 5.435 125.252 119.950 -0.221 0.000 2.413 476 F HA 0.364 4.890 4.527 -0.001 0.000 0.359 476 F C 1.101 176.835 175.800 -0.111 0.000 1.122 476 F CA -0.522 57.391 58.000 -0.147 0.000 1.160 476 F CB 1.104 40.019 39.000 -0.143 0.000 1.146 476 F HN 0.559 nan 8.300 nan 0.000 0.514 477 T N -0.292 114.321 114.554 0.098 0.000 2.767 477 T HA 0.332 4.682 4.350 -0.001 0.000 0.284 477 T C 0.168 174.883 174.700 0.025 0.000 0.973 477 T CA -0.836 61.308 62.100 0.074 0.000 0.996 477 T CB 1.223 70.150 68.868 0.097 0.000 0.927 477 T HN 0.619 nan 8.240 nan 0.000 0.456 478 N N 0.737 119.425 118.700 -0.021 0.000 2.142 478 N HA 0.108 4.847 4.740 -0.001 0.000 0.233 478 N C -0.291 175.070 175.510 -0.248 0.000 1.335 478 N CA -0.490 52.483 53.050 -0.128 0.000 0.837 478 N CB -0.090 38.315 38.487 -0.137 0.000 1.238 478 N HN 0.679 nan 8.380 nan 0.000 0.501 479 E N -0.729 119.310 120.200 -0.267 0.000 2.586 479 E HA -0.195 4.154 4.350 -0.001 0.000 0.259 479 E C -0.915 175.103 176.600 -0.971 0.000 1.107 479 E CA 1.224 57.301 56.400 -0.538 0.000 0.754 479 E CB -1.916 27.595 29.700 -0.315 0.000 1.335 479 E HN 0.531 nan 8.360 nan 0.000 0.411 480 S N -1.498 113.632 115.700 -0.949 0.000 2.595 480 S HA 0.488 4.957 4.470 -0.001 0.000 0.270 480 S C -1.522 172.974 174.600 -0.173 0.000 1.145 480 S CA -0.894 56.910 58.200 -0.659 0.000 0.825 480 S CB 0.632 63.619 63.200 -0.355 0.000 1.107 480 S HN 0.190 nan 8.310 nan 0.000 0.461 481 Y N 2.533 123.028 120.300 0.324 0.000 2.568 481 Y HA 0.260 4.810 4.550 -0.000 0.000 0.338 481 Y C 1.788 177.858 175.900 0.284 0.000 1.245 481 Y CA 0.036 58.361 58.100 0.375 0.000 1.667 481 Y CB 0.117 38.818 38.460 0.402 0.000 1.568 481 Y HN 0.887 nan 8.280 nan 0.000 0.471 482 G N 1.424 110.411 108.800 0.312 0.000 2.422 482 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 482 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 482 G C 1.793 176.872 174.900 0.298 0.000 1.146 482 G CA 0.894 46.133 45.100 0.232 0.000 0.769 482 G HN 0.674 nan 8.290 nan 0.000 0.547 483 A N 1.572 124.551 122.820 0.265 0.000 1.883 483 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 483 A C 2.271 180.000 177.584 0.242 0.000 1.186 483 A CA 1.900 54.066 52.037 0.215 0.000 0.624 483 A CB -0.490 18.609 19.000 0.165 0.000 0.822 483 A HN 0.420 nan 8.150 nan 0.000 0.444 484 N N -1.796 117.080 118.700 0.295 0.000 2.216 484 N HA -0.184 4.555 4.740 -0.001 0.000 0.183 484 N C 1.643 177.333 175.510 0.301 0.000 1.017 484 N CA 1.466 54.681 53.050 0.275 0.000 0.861 484 N CB -0.436 38.227 38.487 0.293 0.000 0.986 484 N HN 0.794 nan 8.380 nan 0.000 0.428 485 W N 2.544 123.949 121.300 0.176 0.000 2.317 485 W HA -0.198 4.462 4.660 -0.000 0.000 0.318 485 W C 2.166 178.750 176.519 0.109 0.000 1.227 485 W CA 1.957 59.385 57.345 0.137 0.000 1.269 485 W CB -0.451 29.076 29.460 0.112 0.000 1.155 485 W HN -0.074 nan 8.180 nan 0.000 0.484 486 T N 1.150 115.968 114.554 0.440 0.000 2.770 486 T HA -0.159 4.191 4.350 -0.001 0.000 0.263 486 T C 1.858 176.614 174.700 0.093 0.000 1.039 486 T CA 1.709 63.976 62.100 0.279 0.000 1.142 486 T CB -0.579 68.482 68.868 0.322 0.000 0.868 486 T HN 0.125 nan 8.240 nan 0.000 0.435 487 L N 0.171 121.461 121.223 0.111 0.000 2.109 487 L HA 0.053 4.392 4.340 -0.001 0.000 0.207 487 L C 2.660 179.545 176.870 0.024 0.000 1.086 487 L CA 0.960 55.845 54.840 0.074 0.000 0.760 487 L CB -0.518 41.584 42.059 0.071 0.000 0.910 487 L HN 0.280 nan 8.230 nan 0.000 0.437 488 M N -0.454 119.166 119.600 0.033 0.000 2.159 488 M HA -0.181 4.298 4.480 -0.001 0.000 0.263 488 M C 1.938 178.215 176.300 -0.038 0.000 1.063 488 M CA 1.428 56.759 55.300 0.051 0.000 1.110 488 M CB -0.504 32.189 32.600 0.154 0.000 1.374 488 M HN 0.259 nan 8.290 nan 0.000 0.411 489 N N -0.161 118.455 118.700 -0.141 0.000 2.149 489 N HA -0.213 4.527 4.740 -0.001 0.000 0.188 489 N C 1.619 177.070 175.510 -0.099 0.000 1.019 489 N CA 1.248 54.184 53.050 -0.190 0.000 0.857 489 N CB -0.710 37.561 38.487 -0.361 0.000 0.997 489 N HN 0.535 nan 8.380 nan 0.000 0.426 490 H N 0.719 119.694 119.070 -0.158 0.000 2.326 490 H HA 0.005 4.561 4.556 -0.001 0.000 0.301 490 H C 1.582 176.774 175.328 -0.227 0.000 1.081 490 H CA 1.314 57.272 56.048 -0.150 0.000 1.334 490 H CB 0.329 30.020 29.762 -0.117 0.000 1.385 490 H HN 0.288 nan 8.280 nan 0.000 0.504 491 Q N -0.797 118.685 119.800 -0.530 0.000 2.123 491 Q HA -0.088 4.252 4.340 -0.001 0.000 0.199 491 Q C 1.125 176.593 176.000 -0.887 0.000 0.966 491 Q CA 1.549 56.815 55.803 -0.896 0.000 0.845 491 Q CB 0.259 28.227 28.738 -1.283 0.000 0.907 491 Q HN 0.443 nan 8.270 nan 0.000 0.439 492 F N -2.893 116.961 119.950 -0.159 0.000 2.784 492 F HA 0.351 4.878 4.527 -0.001 0.000 0.323 492 F C 1.256 176.984 175.800 -0.121 0.000 1.085 492 F CA 0.368 58.288 58.000 -0.132 0.000 1.196 492 F CB 0.846 39.772 39.000 -0.123 0.000 1.053 492 F HN 0.058 nan 8.300 nan 0.000 0.578 493 G N 0.862 109.658 108.800 -0.007 0.000 2.159 493 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.256 493 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.256 493 G C 0.108 174.985 174.900 -0.039 0.000 0.977 493 G CA 0.462 45.542 45.100 -0.033 0.000 0.652 493 G HN 0.486 nan 8.290 nan 0.000 0.531 494 Q N -0.430 119.361 119.800 -0.016 0.000 2.426 494 Q HA 0.498 4.837 4.340 -0.001 0.000 0.278 494 Q C -0.956 175.009 176.000 -0.058 0.000 1.007 494 Q CA -0.448 55.320 55.803 -0.058 0.000 0.850 494 Q CB 1.079 29.799 28.738 -0.031 0.000 1.427 494 Q HN 0.506 nan 8.270 nan 0.000 0.391 495 N N 1.283 119.905 118.700 -0.131 0.000 2.370 495 N HA 0.649 5.388 4.740 -0.001 0.000 0.303 495 N C -1.380 174.125 175.510 -0.008 0.000 1.103 495 N CA -0.641 52.351 53.050 -0.096 0.000 0.848 495 N CB 1.617 39.934 38.487 -0.284 0.000 1.235 495 N HN 0.479 nan 8.380 nan 0.000 0.496 496 N N 0.367 119.082 118.700 0.025 0.000 2.324 496 N HA 0.316 5.055 4.740 -0.001 0.000 0.285 496 N C -1.397 174.261 175.510 0.246 0.000 1.076 496 N CA -0.410 52.691 53.050 0.085 0.000 0.864 496 N CB 0.575 38.995 38.487 -0.112 0.000 1.632 496 N HN 0.761 nan 8.380 nan 0.000 0.478 497 W N 0.087 121.468 121.300 0.136 0.000 2.025 497 W HA -0.227 4.432 4.660 -0.001 0.000 0.270 497 W C 1.354 178.065 176.519 0.321 0.000 1.076 497 W CA 1.037 58.492 57.345 0.183 0.000 0.477 497 W CB -2.595 26.941 29.460 0.127 0.000 2.104 497 W HN 0.681 nan 8.180 nan 0.000 1.210 498 T N -3.489 111.386 114.554 0.535 0.000 3.022 498 T HA 0.225 4.575 4.350 -0.001 0.000 0.250 498 T C 0.553 175.505 174.700 0.420 0.000 1.060 498 T CA 0.572 63.029 62.100 0.594 0.000 1.013 498 T CB 0.807 69.996 68.868 0.535 0.000 0.982 498 T HN -0.085 nan 8.240 nan 0.000 0.508 499 E N 1.440 121.811 120.200 0.285 0.000 2.212 499 E HA 0.668 5.018 4.350 -0.001 0.000 0.270 499 E C -0.813 175.807 176.600 0.034 0.000 0.956 499 E CA -0.817 55.587 56.400 0.006 0.000 0.825 499 E CB 1.865 31.607 29.700 0.069 0.000 1.167 499 E HN 0.543 nan 8.360 nan 0.000 0.400 500 F N -1.810 118.117 119.950 -0.039 0.000 2.773 500 F HA 0.478 5.005 4.527 -0.001 0.000 0.314 500 F C -0.652 175.129 175.800 -0.032 0.000 1.160 500 F CA -1.590 56.373 58.000 -0.062 0.000 0.920 500 F CB 0.582 39.486 39.000 -0.161 0.000 1.323 500 F HN 0.307 nan 8.300 nan 0.000 0.457 501 M N 1.952 121.693 119.600 0.235 0.000 2.249 501 M HA 0.539 5.018 4.480 -0.001 0.000 0.351 501 M C -1.111 175.395 176.300 0.342 0.000 1.180 501 M CA -0.158 55.242 55.300 0.167 0.000 1.127 501 M CB 0.890 33.539 32.600 0.082 0.000 1.546 501 M HN 0.523 nan 8.290 nan 0.000 0.461 502 N N 3.500 122.326 118.700 0.209 0.000 2.509 502 N HA 0.564 5.304 4.740 -0.001 0.000 0.287 502 N C -2.445 172.943 175.510 -0.204 0.000 1.121 502 N CA -1.153 51.957 53.050 0.100 0.000 0.977 502 N CB 0.935 39.491 38.487 0.116 0.000 1.167 502 N HN 0.572 nan 8.380 nan 0.000 0.476 503 P HA 0.040 nan 4.420 nan 0.000 0.277 503 P C -0.511 176.448 177.300 -0.569 0.000 1.276 503 P CA -0.287 62.456 63.100 -0.595 0.000 0.788 503 P CB 0.499 31.661 31.700 -0.896 0.000 1.114 504 D N -0.422 119.762 120.400 -0.361 0.000 2.367 504 D HA -0.012 4.628 4.640 -0.001 0.000 0.255 504 D C 0.715 176.866 176.300 -0.248 0.000 1.300 504 D CA 0.041 53.902 54.000 -0.233 0.000 0.959 504 D CB -0.603 40.108 40.800 -0.149 0.000 1.064 504 D HN 0.256 nan 8.370 nan 0.000 0.509 505 W N 2.624 123.814 121.300 -0.183 0.000 2.363 505 W HA -0.156 4.503 4.660 -0.001 0.000 0.296 505 W C 2.294 178.681 176.519 -0.219 0.000 1.212 505 W CA 0.128 57.326 57.345 -0.245 0.000 1.260 505 W CB -0.055 29.259 29.460 -0.243 0.000 1.131 505 W HN 0.288 nan 8.180 nan 0.000 0.530 506 V N 0.441 120.379 119.914 0.040 0.000 2.343 506 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 506 V C 2.391 178.434 176.094 -0.086 0.000 1.051 506 V CA 2.063 64.331 62.300 -0.054 0.000 1.036 506 V CB -1.588 30.193 31.823 -0.070 0.000 0.654 506 V HN 0.376 nan 8.190 nan 0.000 0.451 507 G N 0.110 108.859 108.800 -0.085 0.000 2.422 507 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.218 507 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.218 507 G C 1.483 176.330 174.900 -0.087 0.000 1.146 507 G CA 0.841 45.885 45.100 -0.094 0.000 0.769 507 G HN 0.380 nan 8.290 nan 0.000 0.547 508 I N 1.865 122.379 120.570 -0.093 0.000 2.179 508 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 508 I C 3.294 179.420 176.117 0.014 0.000 1.088 508 I CA 1.350 62.637 61.300 -0.021 0.000 1.357 508 I CB -1.371 36.586 38.000 -0.072 0.000 1.051 508 I HN 0.270 nan 8.210 nan 0.000 0.409 509 A N 1.032 123.777 122.820 -0.125 0.000 1.883 509 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 509 A C 2.368 179.886 177.584 -0.110 0.000 1.186 509 A CA 1.876 53.753 52.037 -0.267 0.000 0.624 509 A CB -0.610 18.219 19.000 -0.285 0.000 0.822 509 A HN 0.380 nan 8.150 nan 0.000 0.444 510 K N -0.414 119.929 120.400 -0.095 0.000 2.097 510 K HA -0.058 4.261 4.320 -0.001 0.000 0.206 510 K C 2.205 178.780 176.600 -0.042 0.000 1.049 510 K CA 1.075 57.320 56.287 -0.070 0.000 0.933 510 K CB -0.331 32.117 32.500 -0.086 0.000 0.717 510 K HN 0.455 nan 8.250 nan 0.000 0.442 511 A N 0.350 123.136 122.820 -0.057 0.000 2.019 511 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 511 A C 1.698 179.179 177.584 -0.172 0.000 1.164 511 A CA 1.153 53.118 52.037 -0.121 0.000 0.644 511 A CB -0.491 18.410 19.000 -0.166 0.000 0.805 511 A HN 0.235 nan 8.150 nan 0.000 0.449 512 F N -1.156 118.766 119.950 -0.046 0.000 2.754 512 F HA 0.306 4.832 4.527 -0.001 0.000 0.297 512 F C 1.872 177.680 175.800 0.013 0.000 1.122 512 F CA 0.866 58.867 58.000 0.001 0.000 1.400 512 F CB 0.371 39.368 39.000 -0.005 0.000 1.117 512 F HN 0.378 nan 8.300 nan 0.000 0.587 513 G N 0.575 109.451 108.800 0.127 0.000 2.141 513 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.242 513 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.242 513 G C 0.250 175.219 174.900 0.115 0.000 0.982 513 G CA -0.082 45.079 45.100 0.101 0.000 0.662 513 G HN 0.602 nan 8.290 nan 0.000 0.527 514 A N -0.706 122.168 122.820 0.091 0.000 2.271 514 A HA 0.700 5.019 4.320 -0.001 0.000 0.288 514 A C 0.031 177.653 177.584 0.064 0.000 1.094 514 A CA -0.378 51.715 52.037 0.095 0.000 0.828 514 A CB 0.578 19.572 19.000 -0.012 0.000 1.091 514 A HN 1.320 nan 8.150 nan 0.000 0.493 515 Y N 0.491 120.813 120.300 0.037 0.000 2.442 515 Y HA 0.430 4.980 4.550 -0.001 0.000 0.330 515 Y C 0.684 176.583 175.900 -0.001 0.000 1.129 515 Y CA 0.953 59.066 58.100 0.022 0.000 1.365 515 Y CB 0.504 38.985 38.460 0.036 0.000 1.233 515 Y HN 0.700 nan 8.280 nan 0.000 0.529 516 G N 5.202 113.551 108.800 -0.752 0.000 2.662 516 G HA2 0.504 4.463 3.960 -0.001 0.000 0.302 516 G HA3 0.504 4.463 3.960 -0.001 0.000 0.302 516 G C -1.992 172.560 174.900 -0.579 0.000 1.389 516 G CA -0.770 44.048 45.100 -0.470 0.000 0.998 516 G HN 0.662 nan 8.290 nan 0.000 0.502 517 E N 0.390 120.440 120.200 -0.250 0.000 2.352 517 E HA 0.532 4.882 4.350 -0.001 0.000 0.280 517 E C -1.405 175.177 176.600 -0.030 0.000 0.930 517 E CA -0.655 55.677 56.400 -0.113 0.000 0.765 517 E CB 2.182 31.910 29.700 0.046 0.000 1.219 517 E HN 0.476 nan 8.360 nan 0.000 0.434 518 S N 2.069 117.758 115.700 -0.018 0.000 2.475 518 S HA 0.325 4.795 4.470 -0.001 0.000 0.298 518 S C 0.413 175.022 174.600 0.015 0.000 1.119 518 S CA -0.420 57.781 58.200 0.001 0.000 1.085 518 S CB 1.402 64.601 63.200 -0.001 0.000 1.028 518 S HN 0.585 nan 8.310 nan 0.000 0.489 519 V N 4.479 124.406 119.914 0.022 0.000 3.514 519 V HA 0.371 4.491 4.120 -0.001 0.000 0.301 519 V C 1.854 177.959 176.094 0.018 0.000 1.346 519 V CA 0.403 62.718 62.300 0.025 0.000 1.156 519 V CB -0.841 31.002 31.823 0.034 0.000 1.029 519 V HN 0.910 nan 8.190 nan 0.000 0.428 520 R N 0.878 121.386 120.500 0.014 0.000 2.117 520 R HA -0.148 4.192 4.340 -0.001 0.000 0.243 520 R C 1.905 178.207 176.300 0.004 0.000 1.143 520 R CA 2.165 58.270 56.100 0.008 0.000 0.968 520 R CB 0.081 30.384 30.300 0.005 0.000 0.863 520 R HN 0.576 nan 8.270 nan 0.000 0.444 521 E N -1.037 119.165 120.200 0.004 0.000 2.447 521 E HA -0.018 4.332 4.350 -0.001 0.000 0.195 521 E C 1.464 178.066 176.600 0.003 0.000 1.028 521 E CA 1.272 57.673 56.400 0.001 0.000 0.876 521 E CB 0.981 30.681 29.700 -0.000 0.000 0.885 521 E HN 0.594 nan 8.360 nan 0.000 0.500 522 T N -4.382 110.177 114.554 0.007 0.000 2.987 522 T HA 0.273 4.623 4.350 -0.001 0.000 0.248 522 T C 1.671 176.377 174.700 0.009 0.000 0.997 522 T CA 0.684 62.790 62.100 0.009 0.000 1.013 522 T CB 0.451 69.329 68.868 0.015 0.000 1.077 522 T HN 0.117 nan 8.240 nan 0.000 0.483 523 G N 2.032 110.839 108.800 0.012 0.000 2.166 523 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 523 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 523 G C 0.037 174.947 174.900 0.018 0.000 0.986 523 G CA 0.456 45.564 45.100 0.013 0.000 0.683 523 G HN 0.726 nan 8.290 nan 0.000 0.527 524 D N 0.297 120.711 120.400 0.023 0.000 2.713 524 D HA 0.400 5.040 4.640 -0.001 0.000 0.229 524 D C 1.869 178.190 176.300 0.036 0.000 1.136 524 D CA -0.491 53.525 54.000 0.026 0.000 1.010 524 D CB -0.631 40.185 40.800 0.027 0.000 1.084 524 D HN 0.378 nan 8.370 nan 0.000 0.495 525 I N 0.874 121.465 120.570 0.035 0.000 2.226 525 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 525 I C 2.377 178.518 176.117 0.041 0.000 1.100 525 I CA 0.924 62.250 61.300 0.044 0.000 1.374 525 I CB -0.173 37.854 38.000 0.045 0.000 1.057 525 I HN 0.299 nan 8.210 nan 0.000 0.413 526 A N 1.155 123.992 122.820 0.028 0.000 1.865 526 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 526 A C 2.461 180.063 177.584 0.029 0.000 1.191 526 A CA 2.148 54.200 52.037 0.024 0.000 0.623 526 A CB -1.519 17.489 19.000 0.014 0.000 0.826 526 A HN 0.459 nan 8.150 nan 0.000 0.444 527 G N -0.846 107.972 108.800 0.030 0.000 2.408 527 G HA2 0.052 4.011 3.960 -0.001 0.000 0.217 527 G HA3 0.052 4.011 3.960 -0.001 0.000 0.217 527 G C 1.731 176.656 174.900 0.043 0.000 1.150 527 G CA 1.398 46.517 45.100 0.032 0.000 0.776 527 G HN 0.823 nan 8.290 nan 0.000 0.542 528 A N 0.625 123.484 122.820 0.064 0.000 1.902 528 A HA 0.075 4.395 4.320 -0.001 0.000 0.217 528 A C 2.425 180.050 177.584 0.067 0.000 1.181 528 A CA 1.258 53.354 52.037 0.099 0.000 0.623 528 A CB -0.396 18.671 19.000 0.112 0.000 0.818 528 A HN 0.358 nan 8.150 nan 0.000 0.443 529 L N -0.858 120.403 121.223 0.063 0.000 2.046 529 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 529 L C 2.921 179.807 176.870 0.027 0.000 1.077 529 L CA 1.146 56.031 54.840 0.075 0.000 0.747 529 L CB -0.506 41.615 42.059 0.103 0.000 0.896 529 L HN 0.380 nan 8.230 nan 0.000 0.432 530 Q N 0.105 119.910 119.800 0.010 0.000 2.050 530 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 530 Q C 2.356 178.305 176.000 -0.084 0.000 0.980 530 Q CA 1.555 57.348 55.803 -0.017 0.000 0.840 530 Q CB -0.243 28.492 28.738 -0.005 0.000 0.898 530 Q HN 0.495 nan 8.270 nan 0.000 0.424 531 R N 0.121 120.549 120.500 -0.119 0.000 2.092 531 R HA -0.035 4.304 4.340 -0.001 0.000 0.231 531 R C 2.276 178.210 176.300 -0.610 0.000 1.119 531 R CA 1.067 57.006 56.100 -0.269 0.000 0.970 531 R CB -0.324 29.883 30.300 -0.154 0.000 0.864 531 R HN 0.206 nan 8.270 nan 0.000 0.440 532 A N 1.299 123.801 122.820 -0.529 0.000 1.877 532 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 532 A C 2.143 179.564 177.584 -0.271 0.000 1.186 532 A CA 1.207 52.939 52.037 -0.508 0.000 0.620 532 A CB -0.464 18.475 19.000 -0.101 0.000 0.822 532 A HN 0.165 nan 8.150 nan 0.000 0.443 533 I N -0.124 120.357 120.570 -0.149 0.000 2.179 533 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 533 I C 2.292 178.349 176.117 -0.101 0.000 1.088 533 I CA 1.943 63.187 61.300 -0.093 0.000 1.357 533 I CB -0.446 37.535 38.000 -0.031 0.000 1.051 533 I HN 0.476 nan 8.210 nan 0.000 0.409 534 D N 0.646 120.973 120.400 -0.122 0.000 2.182 534 D HA -0.222 4.418 4.640 -0.001 0.000 0.201 534 D C 2.225 178.467 176.300 -0.096 0.000 0.986 534 D CA 1.639 55.582 54.000 -0.095 0.000 0.847 534 D CB 0.037 40.782 40.800 -0.092 0.000 0.942 534 D HN 0.366 nan 8.370 nan 0.000 0.467 535 S N -0.998 114.605 115.700 -0.162 0.000 2.399 535 S HA -0.026 4.444 4.470 -0.001 0.000 0.231 535 S C 2.151 176.738 174.600 -0.021 0.000 1.022 535 S CA 1.318 59.465 58.200 -0.089 0.000 0.983 535 S CB -0.871 62.262 63.200 -0.111 0.000 0.803 535 S HN 0.654 nan 8.310 nan 0.000 0.480 536 G N 0.923 109.704 108.800 -0.030 0.000 2.168 536 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.263 536 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.263 536 G C 0.023 174.938 174.900 0.025 0.000 0.977 536 G CA 0.719 45.817 45.100 -0.004 0.000 0.659 536 G HN 0.662 nan 8.290 nan 0.000 0.533 537 K N 0.795 121.225 120.400 0.050 0.000 2.185 537 K HA 0.527 4.847 4.320 -0.001 0.000 0.240 537 K C -2.386 174.288 176.600 0.124 0.000 0.983 537 K CA -2.096 54.252 56.287 0.102 0.000 0.873 537 K CB 1.840 34.428 32.500 0.147 0.000 1.118 537 K HN -0.021 nan 8.250 nan 0.000 0.441 538 P HA -0.017 nan 4.420 nan 0.000 0.267 538 P C -1.338 176.144 177.300 0.303 0.000 1.200 538 P CA 0.061 63.309 63.100 0.246 0.000 0.772 538 P CB 0.703 32.617 31.700 0.356 0.000 0.855 539 A N 2.852 125.850 122.820 0.297 0.000 2.435 539 A HA 0.681 5.001 4.320 -0.001 0.000 0.304 539 A C -1.552 176.192 177.584 0.266 0.000 1.064 539 A CA -0.675 51.544 52.037 0.303 0.000 0.727 539 A CB 1.343 20.501 19.000 0.264 0.000 1.284 539 A HN 0.488 nan 8.150 nan 0.000 0.415 540 L N 2.310 123.641 121.223 0.181 0.000 2.372 540 L HA 0.677 5.017 4.340 -0.001 0.000 0.274 540 L C -1.385 175.498 176.870 0.021 0.000 0.988 540 L CA -0.160 54.718 54.840 0.064 0.000 0.833 540 L CB 1.089 43.137 42.059 -0.019 0.000 1.236 540 L HN 0.580 nan 8.230 nan 0.000 0.410 541 I N 4.466 125.032 120.570 -0.007 0.000 2.354 541 I HA 0.352 4.522 4.170 -0.001 0.000 0.286 541 I C -0.007 176.060 176.117 -0.083 0.000 1.007 541 I CA -0.478 60.820 61.300 -0.003 0.000 1.167 541 I CB 1.567 39.592 38.000 0.041 0.000 1.320 541 I HN 0.568 nan 8.210 nan 0.000 0.458 542 E N 7.981 128.146 120.200 -0.057 0.000 2.194 542 E HA 0.383 4.732 4.350 -0.001 0.000 0.284 542 E C -1.061 175.529 176.600 -0.016 0.000 1.035 542 E CA -0.340 56.023 56.400 -0.062 0.000 0.836 542 E CB 0.984 30.683 29.700 -0.001 0.000 1.070 542 E HN 0.537 nan 8.360 nan 0.000 0.401 543 I N 7.129 127.696 120.570 -0.004 0.000 2.466 543 I HA 0.254 4.424 4.170 -0.001 0.000 0.279 543 I C -2.358 173.823 176.117 0.107 0.000 1.033 543 I CA -2.448 58.900 61.300 0.081 0.000 1.123 543 I CB 1.766 39.873 38.000 0.178 0.000 1.237 543 I HN 0.264 nan 8.210 nan 0.000 0.460 544 P HA 0.103 nan 4.420 nan 0.000 0.268 544 P C -0.534 176.786 177.300 0.033 0.000 1.204 544 P CA -0.034 63.090 63.100 0.041 0.000 0.768 544 P CB 0.902 32.610 31.700 0.014 0.000 0.842 545 V N 0.073 119.994 119.914 0.012 0.000 3.141 545 V HA 0.777 4.896 4.120 -0.001 0.000 0.312 545 V C -0.016 176.040 176.094 -0.063 0.000 1.157 545 V CA -1.064 61.217 62.300 -0.031 0.000 1.041 545 V CB 1.634 33.422 31.823 -0.060 0.000 1.071 545 V HN 0.544 nan 8.190 nan 0.000 0.441 546 S N 0.459 116.113 115.700 -0.076 0.000 2.624 546 S HA 0.355 4.824 4.470 -0.001 0.000 0.263 546 S C 0.644 175.168 174.600 -0.128 0.000 1.287 546 S CA -0.074 58.066 58.200 -0.100 0.000 0.990 546 S CB 0.694 63.851 63.200 -0.071 0.000 0.950 546 S HN 0.822 nan 8.310 nan 0.000 0.561 547 K N 0.130 120.395 120.400 -0.224 0.000 2.365 547 K HA -0.032 4.288 4.320 -0.001 0.000 0.199 547 K C 1.761 178.327 176.600 -0.056 0.000 1.045 547 K CA 1.423 57.541 56.287 -0.283 0.000 0.962 547 K CB -0.332 31.681 32.500 -0.812 0.000 0.759 547 K HN 0.903 nan 8.250 nan 0.000 0.469 548 T N -2.865 111.690 114.554 0.001 0.000 2.969 548 T HA -0.006 4.343 4.350 -0.001 0.000 0.250 548 T C 0.797 175.541 174.700 0.074 0.000 1.021 548 T CA -0.404 61.758 62.100 0.102 0.000 1.003 548 T CB 0.177 69.128 68.868 0.139 0.000 1.040 548 T HN 0.024 nan 8.240 nan 0.000 0.492 549 Q N 1.303 121.122 119.800 0.031 0.000 2.337 549 Q HA 0.443 4.783 4.340 -0.001 0.000 0.270 549 Q C 0.696 176.719 176.000 0.038 0.000 1.002 549 Q CA 0.990 56.815 55.803 0.037 0.000 0.888 549 Q CB -0.034 28.700 28.738 -0.008 0.000 1.222 549 Q HN 0.666 nan 8.270 nan 0.000 0.400 550 G N 1.969 110.823 108.800 0.090 0.000 2.408 550 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.204 550 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.204 550 G C 0.012 174.960 174.900 0.079 0.000 1.186 550 G CA -0.195 44.947 45.100 0.071 0.000 1.139 550 G HN 0.730 nan 8.290 nan 0.000 0.563 551 L N 1.053 122.286 121.223 0.018 0.000 2.051 551 L HA 0.152 4.492 4.340 -0.001 0.000 0.214 551 L C 3.186 180.086 176.870 0.049 0.000 1.076 551 L CA 3.794 58.644 54.840 0.017 0.000 0.758 551 L CB -0.966 41.075 42.059 -0.029 0.000 0.890 551 L HN 1.621 nan 8.230 nan 0.000 0.433 552 A N -1.819 121.037 122.820 0.059 0.000 2.067 552 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 552 A C 2.280 179.888 177.584 0.041 0.000 1.158 552 A CA 1.679 53.748 52.037 0.054 0.000 0.661 552 A CB -0.566 18.489 19.000 0.092 0.000 0.801 552 A HN 0.683 nan 8.150 nan 0.000 0.452 553 S N -1.974 113.768 115.700 0.069 0.000 2.628 553 S HA 0.151 4.620 4.470 -0.001 0.000 0.246 553 S C -0.423 174.242 174.600 0.108 0.000 1.062 553 S CA -0.237 58.008 58.200 0.074 0.000 1.028 553 S CB 0.144 63.398 63.200 0.090 0.000 0.985 553 S HN 0.229 nan 8.310 nan 0.000 0.551 554 D N 4.661 125.152 120.400 0.152 0.000 2.329 554 D HA 0.437 5.076 4.640 -0.001 0.000 0.232 554 D C -2.657 173.701 176.300 0.098 0.000 1.088 554 D CA -1.422 52.726 54.000 0.246 0.000 0.835 554 D CB 1.639 42.710 40.800 0.452 0.000 1.078 554 D HN 0.293 nan 8.370 nan 0.000 0.495 555 P HA 0.078 nan 4.420 nan 0.000 0.287 555 P C 0.361 177.511 177.300 -0.248 0.000 1.281 555 P CA -0.475 62.564 63.100 -0.102 0.000 0.781 555 P CB 1.379 33.024 31.700 -0.092 0.000 0.903 556 V N -0.614 119.195 119.914 -0.175 0.000 3.078 556 V HA 0.534 4.654 4.120 -0.001 0.000 0.344 556 V C 1.032 177.008 176.094 -0.196 0.000 1.409 556 V CA 0.315 62.488 62.300 -0.212 0.000 1.146 556 V CB -0.355 31.387 31.823 -0.136 0.000 1.126 556 V HN 0.755 nan 8.190 nan 0.000 0.513 557 G N -0.099 108.603 108.800 -0.162 0.000 2.143 557 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.249 557 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.249 557 G C 0.662 175.492 174.900 -0.117 0.000 0.981 557 G CA 0.156 45.167 45.100 -0.148 0.000 0.665 557 G HN 1.576 nan 8.290 nan 0.000 0.528 558 G N -1.081 107.669 108.800 -0.082 0.000 2.544 558 G HA2 0.559 4.518 3.960 -0.001 0.000 0.242 558 G HA3 0.559 4.518 3.960 -0.001 0.000 0.242 558 G C 1.211 176.073 174.900 -0.064 0.000 1.247 558 G CA 0.705 45.775 45.100 -0.050 0.000 0.840 558 G HN 1.428 nan 8.290 nan 0.000 0.578 559 V N -0.651 119.223 119.914 -0.068 0.000 3.604 559 V HA 0.671 4.790 4.120 -0.001 0.000 0.277 559 V C 0.919 176.958 176.094 -0.092 0.000 1.399 559 V CA 1.015 63.273 62.300 -0.070 0.000 1.034 559 V CB -0.187 31.602 31.823 -0.057 0.000 0.824 559 V HN 1.195 nan 8.190 nan 0.000 0.439 560 G N 0.312 109.030 108.800 -0.136 0.000 2.650 560 G HA2 0.589 4.549 3.960 -0.001 0.000 0.310 560 G HA3 0.589 4.549 3.960 -0.001 0.000 0.310 560 G C -3.395 171.238 174.900 -0.446 0.000 1.270 560 G CA -0.619 44.348 45.100 -0.221 0.000 0.810 560 G HN 0.109 nan 8.290 nan 0.000 0.493 561 P HA 0.187 nan 4.420 nan 0.000 0.274 561 P C -0.585 176.548 177.300 -0.278 0.000 1.260 561 P CA -0.411 62.447 63.100 -0.403 0.000 0.793 561 P CB 0.630 32.060 31.700 -0.449 0.000 1.048 562 N N 0.381 119.001 118.700 -0.134 0.000 3.188 562 N HA 0.101 4.841 4.740 -0.001 0.000 0.279 562 N C 0.616 176.095 175.510 -0.053 0.000 1.213 562 N CA 0.060 53.062 53.050 -0.079 0.000 1.138 562 N CB -1.113 37.356 38.487 -0.030 0.000 1.417 562 N HN 0.274 nan 8.380 nan 0.000 0.526 563 L N 0.428 121.599 121.223 -0.087 0.000 2.375 563 L HA 0.155 4.494 4.340 -0.001 0.000 0.215 563 L C 0.699 177.558 176.870 -0.017 0.000 1.108 563 L CA 0.464 55.284 54.840 -0.034 0.000 0.830 563 L CB 0.066 42.085 42.059 -0.067 0.000 0.959 563 L HN 0.363 nan 8.230 nan 0.000 0.457 564 L N 2.993 124.193 121.223 -0.038 0.000 2.865 564 L HA 0.198 4.538 4.340 -0.001 0.000 0.233 564 L C -0.166 176.677 176.870 -0.045 0.000 1.320 564 L CA -0.743 54.071 54.840 -0.044 0.000 1.225 564 L CB -0.270 41.768 42.059 -0.035 0.000 1.542 564 L HN 0.127 nan 8.230 nan 0.000 0.432 565 L N -1.201 120.008 121.223 -0.024 0.000 2.473 565 L HA 0.337 4.677 4.340 -0.001 0.000 0.268 565 L C 0.172 177.029 176.870 -0.022 0.000 1.215 565 L CA 0.090 54.921 54.840 -0.016 0.000 0.823 565 L CB 0.036 42.097 42.059 0.003 0.000 1.099 565 L HN -0.020 nan 8.230 nan 0.000 0.483 566 K N 1.797 122.185 120.400 -0.019 0.000 2.185 566 K HA 0.543 4.863 4.320 -0.001 0.000 0.269 566 K C 0.230 176.827 176.600 -0.005 0.000 0.987 566 K CA -0.014 56.261 56.287 -0.020 0.000 0.865 566 K CB 1.438 33.924 32.500 -0.023 0.000 1.090 566 K HN 0.975 nan 8.250 nan 0.000 0.450 567 G N 2.258 111.058 108.800 -0.000 0.000 2.594 567 G HA2 0.229 4.189 3.960 -0.001 0.000 0.243 567 G HA3 0.229 4.189 3.960 -0.001 0.000 0.243 567 G C -0.326 174.575 174.900 0.003 0.000 1.229 567 G CA -0.463 44.641 45.100 0.006 0.000 0.843 567 G HN 0.439 nan 8.290 nan 0.000 0.578 568 R N -0.323 120.181 120.500 0.005 0.000 2.732 568 R HA 0.297 4.636 4.340 -0.001 0.000 0.278 568 R C -0.442 175.862 176.300 0.006 0.000 0.976 568 R CA -0.739 55.364 56.100 0.004 0.000 0.963 568 R CB 2.185 32.488 30.300 0.005 0.000 1.150 568 R HN 0.662 nan 8.270 nan 0.000 0.478 569 E N 2.528 122.731 120.200 0.005 0.000 2.290 569 E HA 0.114 4.464 4.350 -0.001 0.000 0.277 569 E C -0.552 176.054 176.600 0.009 0.000 1.035 569 E CA -0.322 56.083 56.400 0.007 0.000 0.873 569 E CB 0.590 30.293 29.700 0.006 0.000 1.029 569 E HN 0.228 nan 8.360 nan 0.000 0.419 570 I N 6.624 127.202 120.570 0.013 0.000 2.377 570 I HA 0.292 4.462 4.170 -0.001 0.000 0.293 570 I C -1.750 174.378 176.117 0.019 0.000 0.987 570 I CA -2.662 58.647 61.300 0.015 0.000 1.185 570 I CB 0.643 38.654 38.000 0.018 0.000 1.341 570 I HN 0.545 nan 8.210 nan 0.000 0.455 571 P HA 0.160 nan 4.420 nan 0.000 0.271 571 P C -0.212 177.104 177.300 0.026 0.000 1.218 571 P CA -0.197 62.914 63.100 0.018 0.000 0.780 571 P CB 0.809 32.516 31.700 0.011 0.000 0.901 572 V N -0.812 119.123 119.914 0.035 0.000 3.237 572 V HA 0.147 4.266 4.120 -0.001 0.000 0.305 572 V C 0.562 176.667 176.094 0.019 0.000 1.096 572 V CA -0.517 61.812 62.300 0.048 0.000 1.130 572 V CB 0.003 31.870 31.823 0.073 0.000 1.048 572 V HN 0.485 nan 8.190 nan 0.000 0.484 573 D N 1.370 121.769 120.400 -0.002 0.000 2.368 573 D HA 0.413 5.052 4.640 -0.001 0.000 0.240 573 D C 0.409 176.691 176.300 -0.030 0.000 1.169 573 D CA 0.589 54.568 54.000 -0.035 0.000 0.906 573 D CB 1.328 42.075 40.800 -0.088 0.000 1.187 573 D HN 1.136 nan 8.370 nan 0.000 0.435 574 T N -1.241 113.295 114.554 -0.030 0.000 2.919 574 T HA 0.753 5.103 4.350 -0.001 0.000 0.282 574 T C 0.573 175.254 174.700 -0.032 0.000 1.020 574 T CA -0.071 62.016 62.100 -0.022 0.000 0.994 574 T CB 1.080 69.940 68.868 -0.012 0.000 1.180 574 T HN 0.739 nan 8.240 nan 0.000 0.566 575 G N -0.757 108.028 108.800 -0.024 0.000 2.796 575 G HA2 0.189 4.149 3.960 -0.001 0.000 0.571 575 G HA3 0.189 4.149 3.960 -0.001 0.000 0.571 575 G C 0.636 175.517 174.900 -0.032 0.000 1.370 575 G CA -0.080 45.003 45.100 -0.028 0.000 0.856 575 G HN 1.594 nan 8.290 nan 0.000 0.538 576 G N -0.418 108.361 108.800 -0.035 0.000 2.813 576 G HA2 0.451 4.410 3.960 -0.001 0.000 0.209 576 G HA3 0.451 4.410 3.960 -0.001 0.000 0.209 576 G C 1.206 176.073 174.900 -0.055 0.000 1.150 576 G CA 1.589 46.666 45.100 -0.038 0.000 0.785 576 G HN 2.109 nan 8.290 nan 0.000 0.535 577 S N 0.175 115.833 115.700 -0.070 0.000 2.560 577 S HA 0.485 4.954 4.470 -0.001 0.000 0.284 577 S C 0.322 174.854 174.600 -0.114 0.000 1.327 577 S CA -0.253 57.894 58.200 -0.088 0.000 1.055 577 S CB 1.045 64.188 63.200 -0.095 0.000 0.868 577 S HN 0.137 nan 8.310 nan 0.000 0.506 578 M N 1.706 121.250 119.600 -0.093 0.000 2.613 578 M HA 0.418 4.898 4.480 -0.001 0.000 0.301 578 M C -0.754 175.489 176.300 -0.095 0.000 1.205 578 M CA -0.707 54.560 55.300 -0.054 0.000 0.950 578 M CB 0.889 33.498 32.600 0.015 0.000 1.585 578 M HN 0.703 nan 8.290 nan 0.000 0.490 579 Y N 0.218 120.535 120.300 0.028 0.000 2.300 579 Y HA 0.250 4.800 4.550 -0.001 0.000 0.328 579 Y C -1.827 174.084 175.900 0.019 0.000 1.270 579 Y CA -1.600 56.512 58.100 0.020 0.000 1.352 579 Y CB -0.232 38.242 38.460 0.022 0.000 1.286 579 Y HN 0.366 nan 8.280 nan 0.000 0.536 580 P HA 0.067 nan 4.420 nan 0.000 0.266 580 P C 0.647 178.007 177.300 0.099 0.000 1.195 580 P CA 1.328 64.492 63.100 0.106 0.000 0.768 580 P CB 0.476 32.225 31.700 0.081 0.000 0.838 581 G N 2.132 110.975 108.800 0.072 0.000 2.212 581 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.266 581 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.266 581 G C 1.120 176.067 174.900 0.080 0.000 0.978 581 G CA 0.550 45.685 45.100 0.059 0.000 0.632 581 G HN 0.599 nan 8.290 nan 0.000 0.537 582 E N 1.222 121.495 120.200 0.122 0.000 2.265 582 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 582 E C 2.300 179.029 176.600 0.214 0.000 0.996 582 E CA 1.394 57.895 56.400 0.169 0.000 0.832 582 E CB -0.372 29.474 29.700 0.243 0.000 0.756 582 E HN 0.853 nan 8.360 nan 0.000 0.491 583 N N 0.388 119.175 118.700 0.145 0.000 2.132 583 N HA -0.240 4.499 4.740 -0.001 0.000 0.191 583 N C 1.884 177.480 175.510 0.143 0.000 1.015 583 N CA 1.562 54.691 53.050 0.131 0.000 0.864 583 N CB -0.517 38.004 38.487 0.056 0.000 1.006 583 N HN 0.194 nan 8.380 nan 0.000 0.430 584 L N 0.004 121.283 121.223 0.094 0.000 2.191 584 L HA -0.071 4.268 4.340 -0.001 0.000 0.212 584 L C 2.081 178.979 176.870 0.048 0.000 1.103 584 L CA 0.818 55.694 54.840 0.059 0.000 0.769 584 L CB -0.431 41.648 42.059 0.034 0.000 0.908 584 L HN 0.318 nan 8.230 nan 0.000 0.438 585 L N -1.274 119.974 121.223 0.043 0.000 2.465 585 L HA -0.125 4.214 4.340 -0.001 0.000 0.224 585 L C 2.013 178.786 176.870 -0.161 0.000 1.145 585 L CA 0.546 55.347 54.840 -0.065 0.000 0.834 585 L CB -0.572 41.420 42.059 -0.111 0.000 0.944 585 L HN 0.390 nan 8.230 nan 0.000 0.451 586 H N -0.432 118.646 119.070 0.013 0.000 2.551 586 H HA 0.276 4.832 4.556 -0.001 0.000 0.271 586 H C 0.657 175.990 175.328 0.008 0.000 0.984 586 H CA -0.201 55.854 56.048 0.011 0.000 1.164 586 H CB 0.630 30.399 29.762 0.013 0.000 1.437 586 H HN 0.224 nan 8.280 nan 0.000 0.550 587 L N 2.134 123.411 121.223 0.089 0.000 2.380 587 L HA 0.107 4.446 4.340 -0.001 0.000 0.273 587 L C 0.419 177.307 176.870 0.029 0.000 1.138 587 L CA -0.012 54.861 54.840 0.054 0.000 0.832 587 L CB 0.605 42.687 42.059 0.039 0.000 1.124 587 L HN -0.087 nan 8.230 nan 0.000 0.454 588 K N 0.000 120.416 120.400 0.026 0.000 2.780 588 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 588 K CA 0.000 56.296 56.287 0.014 0.000 0.838 588 K CB 0.000 32.510 32.500 0.016 0.000 1.064 588 K HN 0.000 nan 8.250 nan 0.000 0.543