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 2wp6_1_B DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE cVNVGcVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLPD 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.586 174.600 -0.024 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 2 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 3 K N 1.069 121.454 120.400 -0.025 0.000 2.542 3 K HA 0.706 5.026 4.320 -0.000 0.000 0.259 3 K C -1.092 175.429 176.600 -0.131 0.000 0.932 3 K CA -0.924 55.322 56.287 -0.067 0.000 0.820 3 K CB 1.985 34.510 32.500 0.041 0.000 1.345 3 K HN 0.689 nan 8.250 nan 0.000 0.432 4 A N 2.180 124.802 122.820 -0.330 0.000 2.306 4 A HA 0.912 5.232 4.320 -0.000 0.000 0.330 4 A C -1.202 175.986 177.584 -0.659 0.000 1.146 4 A CA -0.385 51.478 52.037 -0.289 0.000 0.827 4 A CB 0.280 19.176 19.000 -0.174 0.000 1.178 4 A HN 0.551 nan 8.150 nan 0.000 0.490 5 F N -0.636 119.345 119.950 0.052 0.000 2.668 5 F HA 0.305 4.832 4.527 -0.000 0.000 0.309 5 F C 0.614 176.467 175.800 0.089 0.000 1.117 5 F CA -0.665 57.380 58.000 0.075 0.000 0.951 5 F CB 1.916 40.981 39.000 0.108 0.000 1.323 5 F HN 0.637 nan 8.300 nan 0.000 0.451 6 D N 0.460 121.043 120.400 0.304 0.000 2.183 6 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 6 D C -0.197 176.377 176.300 0.456 0.000 0.962 6 D CA 1.455 55.620 54.000 0.277 0.000 0.849 6 D CB 0.626 41.446 40.800 0.033 0.000 0.978 6 D HN 0.155 nan 8.370 nan 0.000 0.488 7 L N 0.755 122.208 121.223 0.383 0.000 2.436 7 L HA 0.325 4.665 4.340 -0.000 0.000 0.268 7 L C -1.376 175.630 176.870 0.227 0.000 0.974 7 L CA -0.667 54.410 54.840 0.395 0.000 0.826 7 L CB 2.337 44.661 42.059 0.441 0.000 1.291 7 L HN -0.359 nan 8.230 nan 0.000 0.406 8 V N 5.379 125.404 119.914 0.185 0.000 2.448 8 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 8 V C -0.556 175.590 176.094 0.088 0.000 1.025 8 V CA -0.709 61.625 62.300 0.056 0.000 0.859 8 V CB 1.869 33.703 31.823 0.019 0.000 0.988 8 V HN 0.499 nan 8.190 nan 0.000 0.431 9 V N 6.259 126.211 119.914 0.063 0.000 2.357 9 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 9 V C -0.060 176.068 176.094 0.055 0.000 1.018 9 V CA -0.395 61.960 62.300 0.092 0.000 0.841 9 V CB 1.591 33.491 31.823 0.127 0.000 0.991 9 V HN 0.689 nan 8.190 nan 0.000 0.437 10 I N 4.653 125.253 120.570 0.051 0.000 2.291 10 I HA 0.658 4.828 4.170 -0.000 0.000 0.292 10 I C 0.826 176.962 176.117 0.033 0.000 1.064 10 I CA -0.007 61.304 61.300 0.018 0.000 1.269 10 I CB 0.848 38.854 38.000 0.009 0.000 1.418 10 I HN 0.867 nan 8.210 nan 0.000 0.485 11 G N 4.547 113.361 108.800 0.024 0.000 2.992 11 G HA2 0.093 4.053 3.960 -0.000 0.000 0.677 11 G HA3 0.093 4.053 3.960 -0.000 0.000 0.677 11 G C -0.150 174.818 174.900 0.113 0.000 1.191 11 G CA -0.460 44.671 45.100 0.051 0.000 1.178 11 G HN 0.910 nan 8.290 nan 0.000 0.506 12 A N 1.351 124.264 122.820 0.155 0.000 3.029 12 A HA 0.698 5.018 4.320 -0.000 0.000 0.251 12 A C 1.364 179.065 177.584 0.196 0.000 1.749 12 A CA 1.354 53.536 52.037 0.242 0.000 1.386 12 A CB -0.370 18.857 19.000 0.379 0.000 1.043 12 A HN 2.007 nan 8.150 nan 0.000 0.638 13 G N -1.202 107.688 108.800 0.151 0.000 3.251 13 G HA2 0.417 4.377 3.960 -0.000 0.000 0.248 13 G HA3 0.417 4.377 3.960 -0.000 0.000 0.248 13 G C 0.976 175.938 174.900 0.102 0.000 1.320 13 G CA 0.439 45.619 45.100 0.134 0.000 0.982 13 G HN 0.190 nan 8.290 nan 0.000 0.575 14 S N -0.416 115.341 115.700 0.095 0.000 2.380 14 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 14 S C 2.381 177.013 174.600 0.054 0.000 1.050 14 S CA 2.263 60.503 58.200 0.067 0.000 1.100 14 S CB -0.688 62.556 63.200 0.072 0.000 0.984 14 S HN 0.839 nan 8.310 nan 0.000 0.434 15 G N 0.344 109.186 108.800 0.071 0.000 2.426 15 G HA2 0.141 4.101 3.960 -0.000 0.000 0.214 15 G HA3 0.141 4.101 3.960 -0.000 0.000 0.214 15 G C 1.405 176.352 174.900 0.079 0.000 1.156 15 G CA 0.771 45.913 45.100 0.070 0.000 0.802 15 G HN 0.568 nan 8.290 nan 0.000 0.534 16 G N 1.174 110.030 108.800 0.094 0.000 2.433 16 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 16 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 16 G C 1.777 176.747 174.900 0.117 0.000 1.186 16 G CA 0.720 45.888 45.100 0.113 0.000 0.779 16 G HN 0.375 nan 8.290 nan 0.000 0.543 17 L N 0.084 121.362 121.223 0.092 0.000 2.083 17 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 17 L C 2.800 179.687 176.870 0.027 0.000 1.083 17 L CA 1.442 56.307 54.840 0.041 0.000 0.752 17 L CB -0.363 41.656 42.059 -0.068 0.000 0.899 17 L HN 0.277 nan 8.230 nan 0.000 0.433 18 E N 0.597 120.808 120.200 0.019 0.000 2.058 18 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 18 E C 2.119 178.796 176.600 0.128 0.000 0.997 18 E CA 1.680 58.108 56.400 0.047 0.000 0.801 18 E CB -0.074 29.641 29.700 0.026 0.000 0.746 18 E HN 0.382 nan 8.360 nan 0.000 0.450 19 A N 0.013 122.901 122.820 0.114 0.000 1.929 19 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 19 A C 2.394 180.077 177.584 0.165 0.000 1.176 19 A CA 1.553 53.667 52.037 0.129 0.000 0.628 19 A CB -1.186 17.874 19.000 0.099 0.000 0.816 19 A HN 0.408 nan 8.150 nan 0.000 0.444 20 G N -1.019 107.877 108.800 0.160 0.000 2.484 20 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 20 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 20 G C 1.478 176.458 174.900 0.133 0.000 1.219 20 G CA 0.939 46.130 45.100 0.153 0.000 0.791 20 G HN 0.610 nan 8.290 nan 0.000 0.550 21 W N 1.801 123.059 121.300 -0.071 0.000 2.289 21 W HA -0.244 4.415 4.660 -0.000 0.000 0.331 21 W C 2.280 178.780 176.519 -0.032 0.000 1.283 21 W CA 2.155 59.440 57.345 -0.101 0.000 1.252 21 W CB -0.583 28.790 29.460 -0.146 0.000 1.153 21 W HN 0.218 nan 8.180 nan 0.000 0.467 22 N N 0.383 119.234 118.700 0.251 0.000 2.205 22 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 22 N C 1.763 177.375 175.510 0.171 0.000 1.015 22 N CA 2.248 55.405 53.050 0.178 0.000 0.862 22 N CB -1.008 37.625 38.487 0.243 0.000 0.986 22 N HN 0.235 nan 8.380 nan 0.000 0.429 23 A N 0.363 123.289 122.820 0.177 0.000 1.897 23 A HA 0.167 4.487 4.320 -0.000 0.000 0.215 23 A C 2.257 179.845 177.584 0.008 0.000 1.181 23 A CA 1.611 53.763 52.037 0.192 0.000 0.620 23 A CB -0.836 18.291 19.000 0.211 0.000 0.821 23 A HN 0.300 nan 8.150 nan 0.000 0.443 24 A N -0.190 122.577 122.820 -0.088 0.000 1.825 24 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 24 A C 2.470 179.898 177.584 -0.261 0.000 1.206 24 A CA 2.613 54.544 52.037 -0.178 0.000 0.609 24 A CB -1.512 17.362 19.000 -0.210 0.000 0.851 24 A HN 0.801 nan 8.150 nan 0.000 0.445 25 T N -2.028 112.258 114.554 -0.446 0.000 3.035 25 T HA 0.093 4.443 4.350 -0.000 0.000 0.268 25 T C 1.483 175.988 174.700 -0.326 0.000 1.109 25 T CA 1.475 63.290 62.100 -0.476 0.000 1.119 25 T CB -0.294 68.092 68.868 -0.803 0.000 0.900 25 T HN 0.287 nan 8.240 nan 0.000 0.503 26 L N -2.299 118.750 121.223 -0.290 0.000 2.537 26 L HA 0.367 4.706 4.340 -0.000 0.000 0.224 26 L C 1.455 177.939 176.870 -0.644 0.000 1.065 26 L CA 0.234 54.809 54.840 -0.442 0.000 0.860 26 L CB 0.130 41.893 42.059 -0.495 0.000 1.086 26 L HN 0.152 nan 8.230 nan 0.000 0.482 27 Y N 0.006 120.256 120.300 -0.084 0.000 2.500 27 Y HA 0.377 4.927 4.550 -0.000 0.000 0.246 27 Y C 1.584 177.410 175.900 -0.122 0.000 1.146 27 Y CA -0.062 57.993 58.100 -0.076 0.000 1.230 27 Y CB 0.505 38.945 38.460 -0.034 0.000 1.214 27 Y HN 0.144 nan 8.280 nan 0.000 0.526 28 G N 1.531 110.293 108.800 -0.062 0.000 2.323 28 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.292 28 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.292 28 G C -0.026 174.816 174.900 -0.096 0.000 1.040 28 G CA 0.007 45.056 45.100 -0.085 0.000 0.942 28 G HN 0.039 nan 8.290 nan 0.000 0.506 29 K N -0.151 120.158 120.400 -0.152 0.000 2.095 29 K HA 0.450 4.769 4.320 -0.000 0.000 0.252 29 K C 0.914 177.450 176.600 -0.107 0.000 0.977 29 K CA -0.667 55.478 56.287 -0.235 0.000 0.900 29 K CB 0.907 33.036 32.500 -0.618 0.000 1.060 29 K HN 0.486 nan 8.250 nan 0.000 0.449 30 R N 0.726 121.208 120.500 -0.029 0.000 2.254 30 R HA 0.447 4.787 4.340 -0.000 0.000 0.318 30 R C -0.443 176.036 176.300 0.298 0.000 1.031 30 R CA -0.755 55.430 56.100 0.142 0.000 0.905 30 R CB 0.546 30.923 30.300 0.128 0.000 1.050 30 R HN 0.142 nan 8.270 nan 0.000 0.456 31 V N 1.602 121.706 119.914 0.317 0.000 2.638 31 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 31 V C -0.379 175.700 176.094 -0.026 0.000 1.052 31 V CA -0.939 61.462 62.300 0.167 0.000 0.885 31 V CB 1.854 33.739 31.823 0.104 0.000 0.999 31 V HN 0.948 nan 8.190 nan 0.000 0.424 32 A N 3.985 126.557 122.820 -0.414 0.000 2.350 32 A HA 0.949 5.269 4.320 -0.000 0.000 0.324 32 A C -1.044 176.472 177.584 -0.114 0.000 1.118 32 A CA -0.629 51.122 52.037 -0.477 0.000 0.783 32 A CB 1.862 20.229 19.000 -1.056 0.000 1.236 32 A HN 0.734 nan 8.150 nan 0.000 0.457 33 V N 2.267 122.180 119.914 -0.001 0.000 2.588 33 V HA 0.507 4.627 4.120 -0.000 0.000 0.304 33 V C -0.609 175.422 176.094 -0.106 0.000 1.042 33 V CA -0.519 61.827 62.300 0.077 0.000 0.877 33 V CB 1.723 33.761 31.823 0.358 0.000 0.996 33 V HN 0.686 nan 8.190 nan 0.000 0.425 34 V N 3.711 123.561 119.914 -0.106 0.000 2.448 34 V HA 0.622 4.742 4.120 -0.000 0.000 0.295 34 V C -0.547 175.423 176.094 -0.206 0.000 1.025 34 V CA -0.364 61.781 62.300 -0.258 0.000 0.859 34 V CB 1.787 33.510 31.823 -0.166 0.000 0.988 34 V HN 0.912 nan 8.190 nan 0.000 0.431 35 D N 1.703 121.916 120.400 -0.311 0.000 2.552 35 D HA 0.347 4.986 4.640 -0.000 0.000 0.239 35 D C 0.616 176.742 176.300 -0.291 0.000 1.139 35 D CA -0.364 53.541 54.000 -0.158 0.000 0.914 35 D CB 3.022 43.919 40.800 0.160 0.000 1.461 35 D HN 0.389 nan 8.370 nan 0.000 0.462 36 V N -0.474 119.162 119.914 -0.464 0.000 3.217 36 V HA 0.202 4.322 4.120 -0.000 0.000 0.264 36 V C 0.479 176.452 176.094 -0.202 0.000 1.135 36 V CA 0.965 62.859 62.300 -0.677 0.000 1.142 36 V CB -0.237 30.707 31.823 -1.465 0.000 0.754 36 V HN 0.466 nan 8.190 nan 0.000 0.484 37 Q N -0.677 119.125 119.800 0.005 0.000 2.479 37 Q HA 0.352 4.691 4.340 -0.000 0.000 0.276 37 Q C 0.424 176.499 176.000 0.126 0.000 0.989 37 Q CA 0.366 56.240 55.803 0.119 0.000 0.864 37 Q CB 2.145 30.986 28.738 0.172 0.000 1.444 37 Q HN 0.398 nan 8.270 nan 0.000 0.388 38 T N -2.369 112.233 114.554 0.081 0.000 3.037 38 T HA 0.216 4.566 4.350 -0.000 0.000 0.251 38 T C 0.629 175.314 174.700 -0.025 0.000 1.079 38 T CA 0.719 62.811 62.100 -0.013 0.000 1.067 38 T CB 0.157 69.000 68.868 -0.042 0.000 0.948 38 T HN 0.447 nan 8.240 nan 0.000 0.496 39 S N 0.959 116.659 115.700 -0.001 0.000 2.661 39 S HA 0.556 5.026 4.470 -0.000 0.000 0.285 39 S C -0.449 174.150 174.600 -0.003 0.000 1.138 39 S CA -1.016 57.187 58.200 0.005 0.000 0.855 39 S CB 1.026 64.208 63.200 -0.029 0.000 1.136 39 S HN 0.710 nan 8.310 nan 0.000 0.484 40 H N -0.328 118.751 119.070 0.015 0.000 2.757 40 H HA 0.673 5.229 4.556 -0.000 0.000 0.370 40 H C 0.682 176.005 175.328 -0.008 0.000 1.172 40 H CA 0.323 56.404 56.048 0.055 0.000 1.426 40 H CB -0.094 29.725 29.762 0.096 0.000 1.438 40 H HN 1.538 nan 8.280 nan 0.000 0.612 41 G N 0.468 109.233 108.800 -0.057 0.000 2.423 41 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.684 41 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.684 41 G C -3.126 171.294 174.900 -0.800 0.000 1.309 41 G CA -0.827 43.924 45.100 -0.582 0.000 0.950 41 G HN 0.769 nan 8.290 nan 0.000 0.587 42 P HA 0.149 nan 4.420 nan 0.000 0.266 42 P C -1.710 175.216 177.300 -0.623 0.000 1.186 42 P CA -0.448 62.037 63.100 -1.025 0.000 0.767 42 P CB 0.553 31.872 31.700 -0.636 0.000 0.820 43 P HA 0.085 nan 4.420 nan 0.000 0.234 43 P C 0.687 177.595 177.300 -0.653 0.000 1.175 43 P CA 0.942 63.614 63.100 -0.713 0.000 0.801 43 P CB 0.132 31.352 31.700 -0.799 0.000 0.891 44 F N -2.217 117.666 119.950 -0.112 0.000 2.727 44 F HA 0.204 4.730 4.527 -0.000 0.000 0.302 44 F C 1.308 177.316 175.800 0.346 0.000 1.097 44 F CA -0.531 57.575 58.000 0.176 0.000 1.330 44 F CB -0.690 38.409 39.000 0.164 0.000 1.084 44 F HN -0.255 nan 8.300 nan 0.000 0.578 45 Y N -1.124 119.361 120.300 0.309 0.000 2.730 45 Y HA -0.434 4.116 4.550 -0.000 0.000 0.479 45 Y C 1.749 177.812 175.900 0.271 0.000 1.088 45 Y CA 0.257 58.524 58.100 0.278 0.000 2.941 45 Y CB -1.995 36.649 38.460 0.306 0.000 1.051 45 Y HN 0.027 nan 8.280 nan 0.000 0.592 46 A N 1.868 124.984 122.820 0.493 0.000 2.429 46 A HA 0.668 4.987 4.320 -0.000 0.000 0.242 46 A C 0.591 178.315 177.584 0.233 0.000 1.088 46 A CA 0.943 53.174 52.037 0.323 0.000 0.784 46 A CB 0.147 19.345 19.000 0.331 0.000 1.038 46 A HN 1.625 nan 8.150 nan 0.000 0.501 47 A N -0.581 122.341 122.820 0.169 0.000 2.428 47 A HA 0.509 4.828 4.320 -0.000 0.000 0.304 47 A C -0.834 176.830 177.584 0.132 0.000 1.085 47 A CA -0.448 51.667 52.037 0.131 0.000 0.605 47 A CB -0.322 18.754 19.000 0.126 0.000 1.393 47 A HN 2.056 nan 8.150 nan 0.000 0.541 48 L N 1.241 122.532 121.223 0.113 0.000 2.667 48 L HA 0.409 4.748 4.340 -0.000 0.000 0.278 48 L C 1.328 178.308 176.870 0.184 0.000 1.217 48 L CA 2.775 57.681 54.840 0.110 0.000 0.935 48 L CB -0.318 41.683 42.059 -0.096 0.000 1.193 48 L HN 2.308 nan 8.230 nan 0.000 0.493 49 G N 2.093 111.058 108.800 0.274 0.000 2.284 49 G HA2 0.135 4.095 3.960 -0.000 0.000 0.216 49 G HA3 0.135 4.095 3.960 -0.000 0.000 0.216 49 G C 1.176 176.199 174.900 0.204 0.000 1.009 49 G CA 0.203 45.496 45.100 0.321 0.000 0.625 49 G HN 2.134 nan 8.290 nan 0.000 0.501 50 G N -1.425 107.475 108.800 0.167 0.000 2.698 50 G HA2 0.135 4.095 3.960 -0.000 0.000 0.225 50 G HA3 0.135 4.095 3.960 -0.000 0.000 0.225 50 G C 0.765 175.747 174.900 0.137 0.000 1.345 50 G CA 0.767 45.956 45.100 0.148 0.000 0.871 50 G HN 1.276 nan 8.290 nan 0.000 0.540 51 T N -0.479 114.161 114.554 0.144 0.000 2.746 51 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 51 T C 2.507 177.254 174.700 0.079 0.000 1.039 51 T CA 2.554 64.734 62.100 0.133 0.000 1.142 51 T CB -0.648 68.318 68.868 0.162 0.000 0.866 51 T HN 1.154 nan 8.240 nan 0.000 0.444 52 c N 1.338 119.990 118.600 0.087 0.000 2.393 52 c HA -0.089 4.481 4.570 -0.000 0.000 0.276 52 c C 2.766 176.857 174.090 0.001 0.000 1.215 52 c CA 0.786 57.151 56.329 0.059 0.000 1.743 52 c CB -1.260 41.294 42.510 0.074 0.000 2.044 52 c HN 0.386 nan 8.230 nan 0.000 0.464 53 V N 1.761 121.684 119.914 0.016 0.000 2.343 53 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 53 V C 2.338 178.374 176.094 -0.095 0.000 1.051 53 V CA 2.426 64.706 62.300 -0.033 0.000 1.036 53 V CB -0.673 31.157 31.823 0.013 0.000 0.654 53 V HN 0.601 nan 8.190 nan 0.000 0.451 54 N N 0.072 118.741 118.700 -0.052 0.000 2.349 54 N HA 0.015 4.755 4.740 -0.000 0.000 0.180 54 N C 0.936 176.317 175.510 -0.214 0.000 1.024 54 N CA 1.677 54.696 53.050 -0.050 0.000 0.869 54 N CB 0.873 39.421 38.487 0.101 0.000 1.022 54 N HN 0.521 nan 8.380 nan 0.000 0.433 55 V N -2.704 117.053 119.914 -0.263 0.000 2.864 55 V HA 0.715 4.835 4.120 -0.000 0.000 0.378 55 V C 0.247 176.127 176.094 -0.358 0.000 1.346 55 V CA -0.413 61.503 62.300 -0.640 0.000 1.328 55 V CB 0.581 32.321 31.823 -0.138 0.000 1.361 55 V HN 0.177 nan 8.190 nan 0.000 0.641 56 G N -0.210 108.452 108.800 -0.229 0.000 3.198 56 G HA2 0.260 4.219 3.960 -0.000 0.000 0.166 56 G HA3 0.260 4.219 3.960 -0.000 0.000 0.166 56 G C 0.860 175.810 174.900 0.084 0.000 1.134 56 G CA 0.617 45.763 45.100 0.076 0.000 0.941 56 G HN 0.311 nan 8.290 nan 0.000 0.639 57 c N 0.110 118.764 118.600 0.091 0.000 2.376 57 c HA -0.059 4.511 4.570 -0.000 0.000 0.275 57 c C 2.805 176.874 174.090 -0.035 0.000 1.200 57 c CA 1.049 57.413 56.329 0.058 0.000 1.756 57 c CB -1.574 40.968 42.510 0.053 0.000 2.050 57 c HN 0.281 nan 8.230 nan 0.000 0.460 58 V N 2.951 122.827 119.914 -0.064 0.000 2.216 58 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 58 V C 0.261 176.273 176.094 -0.137 0.000 1.044 58 V CA 2.816 65.048 62.300 -0.113 0.000 0.995 58 V CB -1.930 29.822 31.823 -0.119 0.000 0.633 58 V HN 0.377 nan 8.190 nan 0.000 0.446 59 P HA -0.164 nan 4.420 nan 0.000 0.223 59 P C 1.308 178.603 177.300 -0.008 0.000 1.151 59 P CA 1.566 64.585 63.100 -0.135 0.000 0.787 59 P CB -0.062 31.485 31.700 -0.254 0.000 0.788 60 K N 1.077 121.520 120.400 0.073 0.000 2.103 60 K HA -0.135 4.184 4.320 -0.000 0.000 0.204 60 K C 2.143 178.629 176.600 -0.190 0.000 1.052 60 K CA 1.527 57.805 56.287 -0.014 0.000 0.945 60 K CB -0.871 31.654 32.500 0.042 0.000 0.722 60 K HN -0.124 nan 8.250 nan 0.000 0.443 61 K N 1.183 121.440 120.400 -0.239 0.000 2.057 61 K HA 0.026 4.346 4.320 -0.000 0.000 0.207 61 K C 1.904 178.334 176.600 -0.284 0.000 1.049 61 K CA 1.398 57.440 56.287 -0.409 0.000 0.931 61 K CB -0.376 31.827 32.500 -0.496 0.000 0.714 61 K HN 0.285 nan 8.250 nan 0.000 0.440 62 L N -0.128 120.974 121.223 -0.202 0.000 2.046 62 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 62 L C 2.512 179.297 176.870 -0.141 0.000 1.077 62 L CA 1.577 56.325 54.840 -0.154 0.000 0.747 62 L CB -0.339 41.633 42.059 -0.144 0.000 0.896 62 L HN 0.306 nan 8.230 nan 0.000 0.432 63 M N -1.404 118.087 119.600 -0.181 0.000 2.200 63 M HA -0.134 4.346 4.480 -0.000 0.000 0.265 63 M C 2.214 178.434 176.300 -0.133 0.000 1.066 63 M CA 1.014 56.187 55.300 -0.211 0.000 1.127 63 M CB -0.129 32.280 32.600 -0.319 0.000 1.379 63 M HN 0.022 nan 8.290 nan 0.000 0.420 64 V N -0.091 119.721 119.914 -0.170 0.000 2.307 64 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 64 V C 2.287 178.336 176.094 -0.074 0.000 1.045 64 V CA 2.187 64.417 62.300 -0.116 0.000 1.024 64 V CB -1.011 30.741 31.823 -0.118 0.000 0.651 64 V HN 0.475 nan 8.190 nan 0.000 0.449 65 T N 0.492 114.983 114.554 -0.105 0.000 2.699 65 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 65 T C 1.881 176.556 174.700 -0.043 0.000 1.036 65 T CA 1.785 63.823 62.100 -0.102 0.000 1.147 65 T CB -0.725 68.095 68.868 -0.079 0.000 0.862 65 T HN 0.644 nan 8.240 nan 0.000 0.446 66 G N 0.917 109.789 108.800 0.121 0.000 2.418 66 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.217 66 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.217 66 G C 1.827 176.952 174.900 0.376 0.000 1.158 66 G CA 0.896 46.224 45.100 0.378 0.000 0.771 66 G HN 0.601 nan 8.290 nan 0.000 0.545 67 A N 0.499 123.496 122.820 0.295 0.000 1.972 67 A HA -0.067 4.252 4.320 -0.000 0.000 0.219 67 A C 2.314 179.889 177.584 -0.015 0.000 1.169 67 A CA 1.827 53.966 52.037 0.170 0.000 0.635 67 A CB -0.384 18.703 19.000 0.145 0.000 0.810 67 A HN 0.486 nan 8.150 nan 0.000 0.446 68 Q N -1.545 118.180 119.800 -0.125 0.000 2.234 68 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 68 Q C 1.567 177.347 176.000 -0.367 0.000 0.980 68 Q CA 1.609 57.228 55.803 -0.307 0.000 0.869 68 Q CB -0.403 28.083 28.738 -0.420 0.000 0.912 68 Q HN 0.844 nan 8.270 nan 0.000 0.436 69 Y N 0.389 120.661 120.300 -0.046 0.000 2.403 69 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 69 Y C 2.192 178.084 175.900 -0.014 0.000 1.143 69 Y CA 1.033 59.147 58.100 0.025 0.000 1.257 69 Y CB -0.355 38.126 38.460 0.034 0.000 0.984 69 Y HN 0.197 nan 8.280 nan 0.000 0.550 70 M N 0.061 119.695 119.600 0.057 0.000 2.108 70 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 70 M C 1.179 177.510 176.300 0.052 0.000 1.066 70 M CA 2.217 57.534 55.300 0.029 0.000 1.107 70 M CB -0.071 32.513 32.600 -0.027 0.000 1.356 70 M HN 0.093 nan 8.290 nan 0.000 0.406 71 D N -0.382 120.008 120.400 -0.015 0.000 2.097 71 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 71 D C 1.975 178.319 176.300 0.074 0.000 0.984 71 D CA 1.313 55.311 54.000 -0.005 0.000 0.826 71 D CB -0.720 40.022 40.800 -0.097 0.000 0.973 71 D HN 0.475 nan 8.370 nan 0.000 0.460 72 H N 0.341 119.457 119.070 0.076 0.000 2.352 72 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 72 H C 2.359 177.763 175.328 0.126 0.000 1.097 72 H CA 0.721 56.818 56.048 0.081 0.000 1.311 72 H CB -0.501 29.298 29.762 0.061 0.000 1.377 72 H HN 0.190 nan 8.280 nan 0.000 0.504 73 L N 0.067 121.459 121.223 0.281 0.000 2.056 73 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 73 L C 2.840 179.935 176.870 0.376 0.000 1.078 73 L CA 1.237 56.265 54.840 0.313 0.000 0.749 73 L CB -0.342 41.889 42.059 0.287 0.000 0.901 73 L HN 0.158 nan 8.230 nan 0.000 0.433 74 R N 0.692 121.345 120.500 0.256 0.000 2.073 74 R HA -0.151 4.189 4.340 -0.000 0.000 0.229 74 R C 2.040 178.470 176.300 0.216 0.000 1.120 74 R CA 1.436 57.655 56.100 0.198 0.000 0.967 74 R CB -0.051 30.335 30.300 0.144 0.000 0.862 74 R HN 0.364 nan 8.270 nan 0.000 0.436 75 E N 0.341 120.685 120.200 0.240 0.000 2.204 75 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 75 E C 1.909 178.732 176.600 0.373 0.000 0.989 75 E CA 1.297 57.868 56.400 0.285 0.000 0.824 75 E CB 0.076 29.956 29.700 0.301 0.000 0.756 75 E HN 0.477 nan 8.360 nan 0.000 0.477 76 S N 0.952 116.862 115.700 0.350 0.000 2.419 76 S HA -0.166 4.304 4.470 -0.000 0.000 0.235 76 S C 2.194 177.117 174.600 0.538 0.000 1.019 76 S CA 0.892 59.341 58.200 0.414 0.000 0.982 76 S CB -0.185 63.162 63.200 0.246 0.000 0.789 76 S HN 0.282 nan 8.310 nan 0.000 0.490 77 A N 2.060 125.106 122.820 0.376 0.000 1.908 77 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 77 A C 2.468 180.168 177.584 0.192 0.000 1.181 77 A CA 1.637 53.828 52.037 0.257 0.000 0.627 77 A CB -1.870 17.201 19.000 0.120 0.000 0.818 77 A HN 0.705 nan 8.150 nan 0.000 0.445 78 G N -1.424 107.467 108.800 0.152 0.000 2.450 78 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 78 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 78 G C 1.008 175.784 174.900 -0.207 0.000 1.130 78 G CA 0.948 46.018 45.100 -0.051 0.000 0.760 78 G HN 0.487 nan 8.290 nan 0.000 0.557 79 F N 0.702 120.755 119.950 0.171 0.000 2.693 79 F HA 0.371 4.898 4.527 -0.000 0.000 0.303 79 F C 1.905 177.775 175.800 0.117 0.000 1.143 79 F CA 0.338 58.444 58.000 0.177 0.000 1.389 79 F CB 0.397 39.556 39.000 0.266 0.000 1.060 79 F HN 0.238 nan 8.300 nan 0.000 0.535 80 G N -1.195 107.702 108.800 0.161 0.000 2.175 80 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 80 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 80 G C -0.079 174.781 174.900 -0.068 0.000 0.982 80 G CA -0.665 44.434 45.100 -0.002 0.000 0.641 80 G HN 0.277 nan 8.290 nan 0.000 0.527 81 W N 1.352 122.750 121.300 0.162 0.000 2.253 81 W HA 0.604 5.263 4.660 -0.000 0.000 0.322 81 W C 0.695 177.322 176.519 0.180 0.000 1.342 81 W CA -0.107 57.354 57.345 0.193 0.000 1.218 81 W CB 0.584 30.194 29.460 0.249 0.000 1.205 81 W HN 0.143 nan 8.180 nan 0.000 0.551 82 E N 3.601 124.017 120.200 0.360 0.000 2.224 82 E HA 0.528 4.877 4.350 -0.000 0.000 0.265 82 E C -0.937 175.860 176.600 0.330 0.000 0.878 82 E CA -0.835 55.680 56.400 0.192 0.000 0.759 82 E CB 1.517 31.264 29.700 0.079 0.000 1.164 82 E HN 0.304 nan 8.360 nan 0.000 0.414 83 F N -0.706 119.319 119.950 0.126 0.000 2.817 83 F HA 0.381 4.908 4.527 -0.000 0.000 0.317 83 F C -1.198 174.647 175.800 0.074 0.000 1.168 83 F CA -1.403 56.658 58.000 0.102 0.000 0.911 83 F CB 0.781 39.852 39.000 0.117 0.000 1.337 83 F HN 0.113 nan 8.300 nan 0.000 0.464 84 D N 1.162 121.689 120.400 0.212 0.000 2.402 84 D HA 0.287 4.927 4.640 -0.000 0.000 0.235 84 D C 1.303 177.654 176.300 0.085 0.000 1.226 84 D CA 0.590 54.639 54.000 0.082 0.000 0.918 84 D CB 1.091 41.960 40.800 0.114 0.000 1.043 84 D HN 0.859 nan 8.370 nan 0.000 0.506 85 G N 2.607 111.346 108.800 -0.102 0.000 2.491 85 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.218 85 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.218 85 G C 1.547 176.483 174.900 0.061 0.000 1.180 85 G CA 1.297 46.365 45.100 -0.052 0.000 0.774 85 G HN 0.577 nan 8.290 nan 0.000 0.562 86 S N 1.053 116.773 115.700 0.035 0.000 2.440 86 S HA -0.168 4.302 4.470 -0.000 0.000 0.240 86 S C 2.267 176.905 174.600 0.063 0.000 1.014 86 S CA 1.956 60.181 58.200 0.043 0.000 0.980 86 S CB -0.564 62.652 63.200 0.027 0.000 0.775 86 S HN 0.720 nan 8.310 nan 0.000 0.499 87 S N 0.167 115.921 115.700 0.089 0.000 2.603 87 S HA 0.244 4.714 4.470 -0.000 0.000 0.220 87 S C 0.403 175.060 174.600 0.094 0.000 0.967 87 S CA -0.290 57.963 58.200 0.088 0.000 0.920 87 S CB -0.450 62.808 63.200 0.096 0.000 0.773 87 S HN 0.300 nan 8.310 nan 0.000 0.529 88 V N 3.201 123.185 119.914 0.116 0.000 2.455 88 V HA 0.385 4.505 4.120 -0.000 0.000 0.273 88 V C 0.115 176.249 176.094 0.066 0.000 1.045 88 V CA -0.261 62.102 62.300 0.105 0.000 0.976 88 V CB 0.536 32.454 31.823 0.158 0.000 0.993 88 V HN 0.644 nan 8.190 nan 0.000 0.475 89 K N 4.516 124.946 120.400 0.051 0.000 2.426 89 K HA 0.861 5.181 4.320 -0.000 0.000 0.251 89 K C -0.873 175.752 176.600 0.042 0.000 0.941 89 K CA -0.748 55.568 56.287 0.048 0.000 0.808 89 K CB 2.242 34.777 32.500 0.058 0.000 1.265 89 K HN 0.589 nan 8.250 nan 0.000 0.432 90 A N 2.891 125.738 122.820 0.046 0.000 2.260 90 A HA 0.242 4.562 4.320 -0.000 0.000 0.312 90 A C -0.700 177.041 177.584 0.262 0.000 1.321 90 A CA -0.753 51.324 52.037 0.066 0.000 0.928 90 A CB 0.029 18.950 19.000 -0.133 0.000 1.158 90 A HN 0.743 nan 8.150 nan 0.000 0.542 91 N N 3.411 122.275 118.700 0.273 0.000 2.605 91 N HA -0.038 4.701 4.740 -0.000 0.000 0.258 91 N C 0.939 176.667 175.510 0.364 0.000 1.156 91 N CA -0.484 52.732 53.050 0.276 0.000 1.008 91 N CB 0.002 38.582 38.487 0.155 0.000 1.354 91 N HN 0.892 nan 8.380 nan 0.000 0.509 92 W N 4.326 125.760 121.300 0.223 0.000 2.338 92 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 92 W C 0.898 177.418 176.519 0.002 0.000 1.212 92 W CA 1.224 58.599 57.345 0.049 0.000 1.264 92 W CB 0.206 29.719 29.460 0.088 0.000 1.142 92 W HN 0.458 nan 8.180 nan 0.000 0.512 93 K N 0.405 120.919 120.400 0.189 0.000 2.032 93 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 93 K C 2.042 178.618 176.600 -0.040 0.000 1.048 93 K CA 2.295 58.618 56.287 0.060 0.000 0.927 93 K CB -0.449 32.126 32.500 0.125 0.000 0.712 93 K HN -0.091 nan 8.250 nan 0.000 0.441 94 K N 1.121 121.522 120.400 0.003 0.000 2.032 94 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 94 K C 1.979 178.520 176.600 -0.098 0.000 1.048 94 K CA 1.170 57.443 56.287 -0.023 0.000 0.927 94 K CB -0.304 32.209 32.500 0.022 0.000 0.712 94 K HN 0.053 nan 8.250 nan 0.000 0.441 95 L N 0.547 121.673 121.223 -0.162 0.000 2.017 95 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 95 L C 1.895 178.536 176.870 -0.382 0.000 1.073 95 L CA 1.593 56.260 54.840 -0.289 0.000 0.745 95 L CB -0.392 41.363 42.059 -0.506 0.000 0.894 95 L HN 0.238 nan 8.230 nan 0.000 0.432 96 I N 0.166 120.435 120.570 -0.503 0.000 2.202 96 I HA -0.201 3.969 4.170 -0.000 0.000 0.242 96 I C 2.738 178.723 176.117 -0.221 0.000 1.091 96 I CA 1.384 62.414 61.300 -0.450 0.000 1.368 96 I CB -2.036 35.662 38.000 -0.504 0.000 1.058 96 I HN 0.371 nan 8.210 nan 0.000 0.410 97 A N 1.176 123.910 122.820 -0.143 0.000 1.883 97 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 97 A C 2.599 180.135 177.584 -0.081 0.000 1.186 97 A CA 2.441 54.438 52.037 -0.066 0.000 0.624 97 A CB -0.938 18.042 19.000 -0.034 0.000 0.822 97 A HN 0.422 nan 8.150 nan 0.000 0.444 98 A N -0.264 122.493 122.820 -0.105 0.000 1.883 98 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 98 A C 2.190 179.696 177.584 -0.130 0.000 1.186 98 A CA 2.144 54.120 52.037 -0.102 0.000 0.624 98 A CB -0.485 18.458 19.000 -0.095 0.000 0.822 98 A HN 0.459 nan 8.150 nan 0.000 0.444 99 K N 0.084 120.378 120.400 -0.177 0.000 2.032 99 K HA -0.217 4.102 4.320 -0.000 0.000 0.209 99 K C 1.595 178.061 176.600 -0.222 0.000 1.048 99 K CA 1.976 58.139 56.287 -0.207 0.000 0.927 99 K CB -0.532 31.817 32.500 -0.252 0.000 0.712 99 K HN 0.425 nan 8.250 nan 0.000 0.441 100 N N 1.492 120.085 118.700 -0.179 0.000 2.104 100 N HA -0.189 4.550 4.740 -0.000 0.000 0.190 100 N C 1.759 177.205 175.510 -0.107 0.000 1.024 100 N CA 1.340 54.303 53.050 -0.145 0.000 0.853 100 N CB -0.278 38.262 38.487 0.087 0.000 1.008 100 N HN 0.464 nan 8.380 nan 0.000 0.424 101 E N 0.447 120.607 120.200 -0.066 0.000 2.072 101 E HA -0.079 4.270 4.350 -0.000 0.000 0.191 101 E C 1.770 178.317 176.600 -0.087 0.000 0.985 101 E CA 0.941 57.313 56.400 -0.046 0.000 0.801 101 E CB -0.018 29.659 29.700 -0.039 0.000 0.750 101 E HN 0.308 nan 8.360 nan 0.000 0.452 102 A N 0.642 123.388 122.820 -0.123 0.000 1.902 102 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 102 A C 2.396 179.875 177.584 -0.175 0.000 1.181 102 A CA 1.516 53.471 52.037 -0.137 0.000 0.623 102 A CB -0.667 18.249 19.000 -0.139 0.000 0.818 102 A HN 0.227 nan 8.150 nan 0.000 0.443 103 V N -0.319 119.450 119.914 -0.240 0.000 2.307 103 V HA -0.210 3.909 4.120 -0.000 0.000 0.245 103 V C 2.473 178.455 176.094 -0.187 0.000 1.045 103 V CA 1.846 63.972 62.300 -0.290 0.000 1.024 103 V CB -0.808 30.714 31.823 -0.501 0.000 0.651 103 V HN 0.581 nan 8.190 nan 0.000 0.449 104 L N 0.651 121.816 121.223 -0.098 0.000 2.042 104 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 104 L C 2.072 178.915 176.870 -0.044 0.000 1.076 104 L CA 2.098 56.967 54.840 0.048 0.000 0.749 104 L CB -1.049 41.081 42.059 0.119 0.000 0.893 104 L HN 0.310 nan 8.230 nan 0.000 0.432 105 D N -0.300 120.053 120.400 -0.079 0.000 2.158 105 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 105 D C 2.284 178.487 176.300 -0.162 0.000 0.995 105 D CA 1.958 55.900 54.000 -0.098 0.000 0.846 105 D CB -0.173 40.573 40.800 -0.090 0.000 0.941 105 D HN 0.469 nan 8.370 nan 0.000 0.456 106 I N 0.834 121.257 120.570 -0.244 0.000 2.252 106 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 106 I C 2.070 177.860 176.117 -0.545 0.000 1.102 106 I CA 0.593 61.612 61.300 -0.467 0.000 1.385 106 I CB -0.236 37.439 38.000 -0.542 0.000 1.064 106 I HN -0.053 nan 8.210 nan 0.000 0.414 107 N N 1.600 120.121 118.700 -0.299 0.000 2.018 107 N HA -0.216 4.523 4.740 -0.000 0.000 0.196 107 N C 1.760 177.215 175.510 -0.091 0.000 1.043 107 N CA 1.605 54.562 53.050 -0.156 0.000 0.856 107 N CB -0.414 38.050 38.487 -0.039 0.000 1.042 107 N HN 0.374 nan 8.380 nan 0.000 0.423 108 K N 0.652 121.010 120.400 -0.071 0.000 2.001 108 K HA -0.129 4.191 4.320 -0.000 0.000 0.214 108 K C 2.248 178.849 176.600 0.001 0.000 1.050 108 K CA 1.582 57.850 56.287 -0.031 0.000 0.934 108 K CB -0.530 31.953 32.500 -0.029 0.000 0.718 108 K HN 0.076 nan 8.250 nan 0.000 0.443 109 S N 0.084 115.767 115.700 -0.028 0.000 2.378 109 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 109 S C 1.977 176.689 174.600 0.187 0.000 1.052 109 S CA 1.507 59.728 58.200 0.034 0.000 1.084 109 S CB -0.347 62.833 63.200 -0.033 0.000 0.950 109 S HN 0.278 nan 8.310 nan 0.000 0.440 110 Y N 1.671 121.956 120.300 -0.024 0.000 2.242 110 Y HA 0.045 4.594 4.550 -0.000 0.000 0.291 110 Y C 2.593 178.557 175.900 0.107 0.000 1.137 110 Y CA 0.925 59.027 58.100 0.003 0.000 1.181 110 Y CB -1.222 37.242 38.460 0.006 0.000 0.989 110 Y HN 0.576 nan 8.280 nan 0.000 0.527 111 E N -0.162 120.164 120.200 0.210 0.000 2.051 111 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 111 E C 2.555 179.255 176.600 0.166 0.000 0.991 111 E CA 1.159 57.634 56.400 0.125 0.000 0.799 111 E CB -0.529 29.155 29.700 -0.026 0.000 0.748 111 E HN 0.394 nan 8.360 nan 0.000 0.449 112 G N 1.228 110.100 108.800 0.120 0.000 2.513 112 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 112 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 112 G C 1.593 176.568 174.900 0.125 0.000 1.160 112 G CA 1.432 46.594 45.100 0.102 0.000 0.767 112 G HN 0.248 nan 8.290 nan 0.000 0.571 113 M N -0.573 119.105 119.600 0.130 0.000 2.108 113 M HA 0.065 4.545 4.480 -0.000 0.000 0.261 113 M C 2.305 178.668 176.300 0.105 0.000 1.066 113 M CA 1.103 56.471 55.300 0.115 0.000 1.107 113 M CB -0.386 32.234 32.600 0.032 0.000 1.356 113 M HN 0.218 nan 8.290 nan 0.000 0.406 114 F N 1.083 121.085 119.950 0.088 0.000 2.069 114 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 114 F C 2.313 178.139 175.800 0.042 0.000 1.113 114 F CA 1.567 59.604 58.000 0.062 0.000 1.214 114 F CB -0.842 38.166 39.000 0.015 0.000 0.978 114 F HN 0.224 nan 8.300 nan 0.000 0.474 115 N N 0.006 118.837 118.700 0.218 0.000 2.149 115 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 115 N C 0.945 176.508 175.510 0.087 0.000 1.019 115 N CA 1.635 54.760 53.050 0.126 0.000 0.857 115 N CB -0.585 37.957 38.487 0.092 0.000 0.997 115 N HN 0.308 nan 8.380 nan 0.000 0.426 116 D N -0.268 120.181 120.400 0.083 0.000 2.342 116 D HA 0.090 4.730 4.640 -0.000 0.000 0.221 116 D C -0.237 176.077 176.300 0.023 0.000 1.101 116 D CA 0.325 54.357 54.000 0.054 0.000 0.837 116 D CB 0.276 41.114 40.800 0.064 0.000 0.938 116 D HN 0.051 nan 8.370 nan 0.000 0.508 117 T N 0.621 115.179 114.554 0.007 0.000 2.812 117 T HA 0.251 4.601 4.350 -0.000 0.000 0.282 117 T C 0.066 174.722 174.700 -0.074 0.000 0.990 117 T CA -0.684 61.362 62.100 -0.090 0.000 0.960 117 T CB 2.335 71.086 68.868 -0.195 0.000 0.948 117 T HN -0.116 nan 8.240 nan 0.000 0.438 118 E N 1.258 121.398 120.200 -0.099 0.000 2.344 118 E HA 0.405 4.754 4.350 -0.000 0.000 0.270 118 E C 1.092 177.651 176.600 -0.067 0.000 1.021 118 E CA 0.294 56.656 56.400 -0.064 0.000 0.887 118 E CB 0.534 30.191 29.700 -0.071 0.000 0.997 118 E HN 1.012 nan 8.360 nan 0.000 0.429 119 G N 3.005 111.805 108.800 -0.001 0.000 2.143 119 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 119 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 119 G C -0.353 174.595 174.900 0.079 0.000 0.991 119 G CA 0.011 45.135 45.100 0.040 0.000 0.689 119 G HN 0.350 nan 8.290 nan 0.000 0.522 120 L N 1.460 122.734 121.223 0.084 0.000 2.442 120 L HA 0.583 4.923 4.340 -0.000 0.000 0.261 120 L C -1.022 176.013 176.870 0.275 0.000 1.000 120 L CA -1.134 53.785 54.840 0.131 0.000 0.882 120 L CB 1.199 43.246 42.059 -0.020 0.000 1.207 120 L HN 0.137 nan 8.230 nan 0.000 0.443 121 D N 3.684 124.224 120.400 0.232 0.000 2.362 121 D HA 0.277 4.917 4.640 -0.000 0.000 0.247 121 D C -1.220 174.946 176.300 -0.223 0.000 1.050 121 D CA -0.214 53.805 54.000 0.032 0.000 0.839 121 D CB 2.413 43.175 40.800 -0.064 0.000 1.283 121 D HN 0.265 nan 8.370 nan 0.000 0.477 122 F N 2.342 121.884 119.950 -0.681 0.000 2.404 122 F HA 0.490 5.017 4.527 -0.000 0.000 0.339 122 F C -1.302 173.953 175.800 -0.909 0.000 1.105 122 F CA -0.656 56.801 58.000 -0.905 0.000 1.087 122 F CB 0.623 38.873 39.000 -1.249 0.000 1.143 122 F HN 0.129 nan 8.300 nan 0.000 0.491 123 F N 6.604 125.867 119.950 -1.145 0.000 2.518 123 F HA 0.405 4.932 4.527 -0.000 0.000 0.323 123 F C -0.779 174.380 175.800 -1.068 0.000 1.129 123 F CA -1.100 56.408 58.000 -0.819 0.000 0.920 123 F CB 1.455 40.196 39.000 -0.432 0.000 1.160 123 F HN 0.264 nan 8.300 nan 0.000 0.440 124 L N 3.536 124.489 121.223 -0.450 0.000 2.410 124 L HA 0.748 5.088 4.340 -0.000 0.000 0.273 124 L C 0.314 177.089 176.870 -0.158 0.000 1.152 124 L CA 0.695 55.391 54.840 -0.239 0.000 0.855 124 L CB -0.094 41.970 42.059 0.010 0.000 1.129 124 L HN 0.827 nan 8.230 nan 0.000 0.463 125 G N 3.257 111.920 108.800 -0.227 0.000 2.331 125 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.479 125 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.479 125 G C -1.837 172.839 174.900 -0.374 0.000 1.262 125 G CA -0.512 44.474 45.100 -0.190 0.000 1.029 125 G HN 0.592 nan 8.290 nan 0.000 0.487 126 W N 0.762 121.976 121.300 -0.143 0.000 2.391 126 W HA 0.619 5.279 4.660 -0.000 0.000 0.311 126 W C 0.671 177.119 176.519 -0.119 0.000 1.087 126 W CA 0.335 57.590 57.345 -0.150 0.000 1.209 126 W CB 1.855 31.215 29.460 -0.166 0.000 1.273 126 W HN 0.958 nan 8.180 nan 0.000 0.482 127 G N 1.793 110.612 108.800 0.031 0.000 2.371 127 G HA2 0.670 4.629 3.960 -0.000 0.000 0.326 127 G HA3 0.670 4.629 3.960 -0.000 0.000 0.326 127 G C -0.765 174.153 174.900 0.030 0.000 1.127 127 G CA -0.596 44.505 45.100 0.001 0.000 0.885 127 G HN 0.437 nan 8.290 nan 0.000 0.477 128 S N 0.408 116.116 115.700 0.013 0.000 2.638 128 S HA 0.585 5.055 4.470 -0.000 0.000 0.274 128 S C -1.290 173.309 174.600 -0.002 0.000 1.157 128 S CA -0.911 57.295 58.200 0.011 0.000 0.826 128 S CB 1.517 64.725 63.200 0.013 0.000 1.139 128 S HN 0.349 nan 8.310 nan 0.000 0.474 129 L N 2.175 123.397 121.223 -0.002 0.000 2.342 129 L HA 0.440 4.780 4.340 -0.000 0.000 0.285 129 L C 1.584 178.448 176.870 -0.011 0.000 1.095 129 L CA 0.289 55.125 54.840 -0.007 0.000 0.843 129 L CB 0.129 42.184 42.059 -0.008 0.000 1.201 129 L HN 1.044 nan 8.230 nan 0.000 0.445 130 E N 1.853 122.045 120.200 -0.013 0.000 2.076 130 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 130 E C 0.354 176.946 176.600 -0.015 0.000 0.979 130 E CA 0.676 57.067 56.400 -0.015 0.000 0.807 130 E CB 0.472 30.161 29.700 -0.017 0.000 0.761 130 E HN 0.529 nan 8.360 nan 0.000 0.454 131 S N -1.991 113.700 115.700 -0.015 0.000 2.587 131 S HA 0.173 4.643 4.470 -0.000 0.000 0.269 131 S C 0.042 174.630 174.600 -0.020 0.000 1.154 131 S CA -0.177 58.013 58.200 -0.017 0.000 0.824 131 S CB 1.287 64.478 63.200 -0.016 0.000 1.118 131 S HN 0.159 nan 8.310 nan 0.000 0.462 132 K N 1.716 122.101 120.400 -0.025 0.000 2.192 132 K HA -0.203 4.117 4.320 -0.000 0.000 0.214 132 K C 0.662 177.241 176.600 -0.034 0.000 1.046 132 K CA 2.813 59.079 56.287 -0.035 0.000 0.937 132 K CB -0.281 32.197 32.500 -0.037 0.000 0.734 132 K HN 0.562 nan 8.250 nan 0.000 0.473 133 N N -0.683 118.003 118.700 -0.022 0.000 2.194 133 N HA 0.117 4.857 4.740 -0.000 0.000 0.231 133 N C -1.404 174.108 175.510 0.005 0.000 1.247 133 N CA -0.003 53.040 53.050 -0.012 0.000 0.884 133 N CB 1.568 40.044 38.487 -0.019 0.000 1.146 133 N HN -0.076 nan 8.380 nan 0.000 0.516 134 V N 1.155 121.068 119.914 -0.001 0.000 2.604 134 V HA 0.500 4.619 4.120 -0.000 0.000 0.305 134 V C -0.013 176.079 176.094 -0.003 0.000 1.043 134 V CA -0.795 61.506 62.300 0.001 0.000 0.888 134 V CB 2.695 34.513 31.823 -0.008 0.000 0.995 134 V HN -0.264 nan 8.190 nan 0.000 0.429 135 V N 4.727 124.637 119.914 -0.007 0.000 2.407 135 V HA 0.456 4.576 4.120 -0.000 0.000 0.291 135 V C -0.175 175.892 176.094 -0.044 0.000 1.018 135 V CA -0.501 61.787 62.300 -0.020 0.000 0.842 135 V CB 2.013 33.824 31.823 -0.020 0.000 0.996 135 V HN 0.696 nan 8.190 nan 0.000 0.426 136 V N 4.992 124.883 119.914 -0.039 0.000 2.743 136 V HA 0.567 4.687 4.120 -0.000 0.000 0.301 136 V C -0.082 175.982 176.094 -0.050 0.000 1.057 136 V CA -0.708 61.563 62.300 -0.049 0.000 1.006 136 V CB 1.755 33.560 31.823 -0.031 0.000 1.024 136 V HN 0.517 nan 8.190 nan 0.000 0.473 137 V N 4.266 124.141 119.914 -0.065 0.000 2.349 137 V HA 0.472 4.592 4.120 -0.000 0.000 0.284 137 V C 0.180 176.272 176.094 -0.004 0.000 1.014 137 V CA -0.530 61.740 62.300 -0.050 0.000 0.826 137 V CB 1.060 32.808 31.823 -0.125 0.000 1.009 137 V HN 0.879 nan 8.190 nan 0.000 0.431 138 R N 2.261 122.795 120.500 0.057 0.000 2.705 138 R HA 0.494 4.834 4.340 -0.000 0.000 0.246 138 R C 0.722 177.100 176.300 0.129 0.000 1.142 138 R CA -0.699 55.434 56.100 0.056 0.000 1.114 138 R CB 1.512 31.822 30.300 0.016 0.000 1.256 138 R HN 0.638 nan 8.270 nan 0.000 0.536 139 E N -0.325 119.927 120.200 0.086 0.000 2.340 139 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 139 E C 0.031 176.718 176.600 0.146 0.000 0.996 139 E CA 0.621 57.101 56.400 0.132 0.000 0.869 139 E CB 0.583 30.326 29.700 0.073 0.000 0.835 139 E HN 0.609 nan 8.360 nan 0.000 0.493 140 T N -4.868 109.628 114.554 -0.097 0.000 2.804 140 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 140 T C 0.817 174.890 174.700 -1.044 0.000 1.099 140 T CA -0.290 61.487 62.100 -0.537 0.000 1.011 140 T CB 1.237 69.923 68.868 -0.304 0.000 1.291 140 T HN -0.147 nan 8.240 nan 0.000 0.523 141 A N -0.139 121.779 122.820 -1.502 0.000 2.119 141 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 141 A C 0.993 178.273 177.584 -0.506 0.000 1.153 141 A CA 0.619 51.929 52.037 -1.211 0.000 0.692 141 A CB -0.903 17.306 19.000 -1.318 0.000 0.799 141 A HN 0.826 nan 8.150 nan 0.000 0.458 142 D N 0.701 120.870 120.400 -0.385 0.000 2.401 142 D HA 0.102 4.742 4.640 -0.000 0.000 0.254 142 D C -1.800 174.409 176.300 -0.152 0.000 1.192 142 D CA -1.769 52.102 54.000 -0.214 0.000 0.885 142 D CB 1.020 41.721 40.800 -0.165 0.000 1.147 142 D HN 0.122 nan 8.370 nan 0.000 0.478 143 P HA -0.064 nan 4.420 nan 0.000 0.274 143 P C 0.433 177.698 177.300 -0.057 0.000 1.370 143 P CA 0.647 63.704 63.100 -0.071 0.000 0.760 143 P CB 0.199 31.866 31.700 -0.055 0.000 1.308 144 K N -0.679 119.681 120.400 -0.066 0.000 2.554 144 K HA 0.090 4.410 4.320 -0.000 0.000 0.211 144 K C 0.605 177.176 176.600 -0.048 0.000 1.226 144 K CA 0.090 56.347 56.287 -0.050 0.000 1.025 144 K CB 0.924 33.395 32.500 -0.049 0.000 1.021 144 K HN 0.123 nan 8.250 nan 0.000 0.600 145 S N 0.363 116.028 115.700 -0.059 0.000 2.634 145 S HA 0.452 4.922 4.470 -0.000 0.000 0.261 145 S C 0.348 174.932 174.600 -0.028 0.000 1.271 145 S CA -0.660 57.512 58.200 -0.047 0.000 0.985 145 S CB 1.224 64.385 63.200 -0.065 0.000 0.968 145 S HN 0.199 nan 8.310 nan 0.000 0.568 146 A N 1.263 124.074 122.820 -0.014 0.000 2.444 146 A HA 0.460 4.780 4.320 -0.000 0.000 0.273 146 A C 0.293 177.874 177.584 -0.004 0.000 1.136 146 A CA -0.656 51.377 52.037 -0.007 0.000 0.799 146 A CB -0.724 18.276 19.000 0.000 0.000 1.081 146 A HN 0.816 nan 8.150 nan 0.000 0.509 147 V N 3.985 123.893 119.914 -0.011 0.000 2.752 147 V HA -0.071 4.049 4.120 -0.000 0.000 0.306 147 V C 1.394 177.479 176.094 -0.016 0.000 1.099 147 V CA 1.012 63.301 62.300 -0.017 0.000 1.240 147 V CB 0.527 32.336 31.823 -0.023 0.000 0.887 147 V HN 1.069 nan 8.190 nan 0.000 0.499 148 K N 1.892 122.277 120.400 -0.026 0.000 2.424 148 K HA 0.274 4.594 4.320 -0.000 0.000 0.198 148 K C 0.147 176.710 176.600 -0.061 0.000 1.190 148 K CA 0.232 56.504 56.287 -0.024 0.000 0.935 148 K CB 0.760 33.253 32.500 -0.012 0.000 1.087 148 K HN 0.750 nan 8.250 nan 0.000 0.524 149 E N 0.534 120.672 120.200 -0.104 0.000 2.407 149 E HA 0.248 4.598 4.350 -0.000 0.000 0.279 149 E C -1.308 175.203 176.600 -0.149 0.000 1.012 149 E CA -0.612 55.684 56.400 -0.173 0.000 0.800 149 E CB 2.151 31.630 29.700 -0.370 0.000 1.276 149 E HN 0.103 nan 8.360 nan 0.000 0.452 150 R N 1.206 121.623 120.500 -0.137 0.000 2.514 150 R HA 0.613 4.953 4.340 -0.000 0.000 0.296 150 R C -0.639 175.616 176.300 -0.074 0.000 1.012 150 R CA -0.691 55.355 56.100 -0.091 0.000 0.897 150 R CB 0.943 31.210 30.300 -0.054 0.000 1.184 150 R HN 0.264 nan 8.270 nan 0.000 0.440 151 L N 3.309 124.501 121.223 -0.052 0.000 2.343 151 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 151 L C 0.199 177.120 176.870 0.084 0.000 0.996 151 L CA -1.036 53.832 54.840 0.046 0.000 0.831 151 L CB 1.732 43.786 42.059 -0.009 0.000 1.232 151 L HN 0.569 nan 8.230 nan 0.000 0.413 152 Q N 2.510 122.375 119.800 0.109 0.000 2.259 152 Q HA 0.802 5.142 4.340 -0.000 0.000 0.246 152 Q C -0.804 175.286 176.000 0.149 0.000 0.920 152 Q CA -0.696 55.159 55.803 0.086 0.000 0.895 152 Q CB 2.558 31.320 28.738 0.040 0.000 1.220 152 Q HN 0.657 nan 8.270 nan 0.000 0.439 153 A N 1.963 124.847 122.820 0.108 0.000 2.427 153 A HA 0.337 4.657 4.320 -0.000 0.000 0.298 153 A C -0.626 177.001 177.584 0.073 0.000 1.036 153 A CA -0.706 51.417 52.037 0.143 0.000 0.701 153 A CB 1.632 20.717 19.000 0.142 0.000 1.250 153 A HN 0.763 nan 8.150 nan 0.000 0.412 154 D N 0.575 121.024 120.400 0.082 0.000 2.144 154 D HA 0.009 4.649 4.640 -0.000 0.000 0.200 154 D C 0.169 176.289 176.300 -0.300 0.000 0.978 154 D CA 1.788 55.727 54.000 -0.102 0.000 0.833 154 D CB 0.075 40.845 40.800 -0.050 0.000 0.961 154 D HN 0.638 nan 8.370 nan 0.000 0.470 155 H N -1.038 118.162 119.070 0.217 0.000 2.679 155 H HA 0.460 5.015 4.556 -0.000 0.000 0.360 155 H C -0.550 174.900 175.328 0.203 0.000 1.105 155 H CA -0.667 55.521 56.048 0.233 0.000 1.196 155 H CB 1.733 31.722 29.762 0.378 0.000 1.636 155 H HN -0.140 nan 8.280 nan 0.000 0.531 156 I N 3.051 123.756 120.570 0.224 0.000 2.433 156 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 156 I C -0.721 175.521 176.117 0.208 0.000 1.001 156 I CA -0.795 60.602 61.300 0.163 0.000 1.119 156 I CB 2.111 40.144 38.000 0.056 0.000 1.289 156 I HN 0.157 nan 8.210 nan 0.000 0.438 157 L N 7.596 128.948 121.223 0.215 0.000 2.305 157 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 157 L C -1.013 175.937 176.870 0.132 0.000 1.013 157 L CA -0.272 54.697 54.840 0.214 0.000 0.819 157 L CB 1.174 43.357 42.059 0.206 0.000 1.227 157 L HN 0.430 nan 8.230 nan 0.000 0.417 158 L N 6.061 127.355 121.223 0.118 0.000 2.257 158 L HA 0.722 5.062 4.340 -0.000 0.000 0.290 158 L C 0.348 177.275 176.870 0.094 0.000 1.044 158 L CA -0.266 54.626 54.840 0.086 0.000 0.810 158 L CB 1.302 43.402 42.059 0.068 0.000 1.193 158 L HN 0.842 nan 8.230 nan 0.000 0.425 159 A N 0.993 123.864 122.820 0.085 0.000 3.165 159 A HA 0.233 4.553 4.320 -0.000 0.000 0.212 159 A C 0.706 178.342 177.584 0.086 0.000 0.935 159 A CA -0.181 51.911 52.037 0.092 0.000 1.100 159 A CB -0.120 18.940 19.000 0.100 0.000 1.260 159 A HN 0.698 nan 8.150 nan 0.000 0.532 160 T N -2.997 111.603 114.554 0.078 0.000 3.107 160 T HA 0.455 4.805 4.350 -0.000 0.000 0.249 160 T C 1.412 176.178 174.700 0.110 0.000 1.096 160 T CA 1.092 63.235 62.100 0.071 0.000 1.012 160 T CB -0.063 68.833 68.868 0.047 0.000 0.977 160 T HN 2.098 nan 8.240 nan 0.000 0.527 161 G N 1.904 110.778 108.800 0.123 0.000 2.547 161 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.271 161 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.271 161 G C 0.000 175.009 174.900 0.181 0.000 1.209 161 G CA 0.172 45.364 45.100 0.154 0.000 0.959 161 G HN 1.532 nan 8.290 nan 0.000 0.563 162 S N -1.484 114.355 115.700 0.233 0.000 2.732 162 S HA 0.813 5.283 4.470 -0.000 0.000 0.293 162 S C -0.920 173.928 174.600 0.412 0.000 1.159 162 S CA 0.149 58.506 58.200 0.263 0.000 0.847 162 S CB 2.714 66.035 63.200 0.201 0.000 1.169 162 S HN 1.743 nan 8.310 nan 0.000 0.501 163 W N 0.673 122.031 121.300 0.098 0.000 3.296 163 W HA 0.415 5.075 4.660 -0.000 0.000 0.314 163 W C -3.377 173.187 176.519 0.075 0.000 1.238 163 W CA -2.232 55.171 57.345 0.097 0.000 1.193 163 W CB 1.786 31.309 29.460 0.105 0.000 1.383 163 W HN 0.482 nan 8.180 nan 0.000 0.545 164 P HA -0.034 nan 4.420 nan 0.000 0.267 164 P C -0.642 176.624 177.300 -0.057 0.000 1.209 164 P CA 0.643 63.590 63.100 -0.256 0.000 0.763 164 P CB 0.504 31.955 31.700 -0.415 0.000 0.816 165 Q N 3.344 123.150 119.800 0.010 0.000 2.304 165 Q HA 0.262 4.602 4.340 -0.000 0.000 0.260 165 Q C -0.747 175.269 176.000 0.026 0.000 0.965 165 Q CA -0.005 55.830 55.803 0.054 0.000 0.898 165 Q CB 0.336 29.108 28.738 0.057 0.000 1.196 165 Q HN 0.342 nan 8.270 nan 0.000 0.402 166 M N 5.647 125.275 119.600 0.046 0.000 2.243 166 M HA 0.421 4.901 4.480 -0.000 0.000 0.324 166 M C -2.289 174.028 176.300 0.028 0.000 1.031 166 M CA -2.303 53.012 55.300 0.025 0.000 0.949 166 M CB 1.058 33.675 32.600 0.029 0.000 1.615 166 M HN 0.516 nan 8.290 nan 0.000 0.430 167 P HA 0.315 nan 4.420 nan 0.000 0.275 167 P C -0.523 176.783 177.300 0.010 0.000 1.228 167 P CA -0.462 62.647 63.100 0.015 0.000 0.786 167 P CB 0.492 32.197 31.700 0.009 0.000 0.927 168 A N 4.007 126.835 122.820 0.013 0.000 3.026 168 A HA 0.380 4.700 4.320 -0.000 0.000 0.272 168 A C 0.694 178.280 177.584 0.002 0.000 1.782 168 A CA -0.435 51.608 52.037 0.009 0.000 1.451 168 A CB -1.689 17.319 19.000 0.012 0.000 1.081 168 A HN 0.576 nan 8.150 nan 0.000 0.611 169 I N -1.488 119.079 120.570 -0.004 0.000 2.693 169 I HA 0.669 4.838 4.170 -0.000 0.000 0.303 169 I C -2.614 173.499 176.117 -0.007 0.000 1.025 169 I CA -3.058 58.236 61.300 -0.010 0.000 1.086 169 I CB 2.126 40.112 38.000 -0.023 0.000 1.268 169 I HN 0.085 nan 8.210 nan 0.000 0.440 170 P HA 0.179 nan 4.420 nan 0.000 0.271 170 P C 0.695 178.005 177.300 0.017 0.000 1.216 170 P CA 0.627 63.731 63.100 0.007 0.000 0.776 170 P CB 1.014 32.721 31.700 0.011 0.000 0.881 171 G N 2.347 111.168 108.800 0.036 0.000 2.157 171 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 171 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 171 G C 0.714 175.629 174.900 0.026 0.000 0.979 171 G CA 0.165 45.321 45.100 0.093 0.000 0.650 171 G HN 0.520 nan 8.290 nan 0.000 0.529 172 I N 1.922 122.481 120.570 -0.019 0.000 2.335 172 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 172 I C 2.593 178.671 176.117 -0.065 0.000 1.129 172 I CA 2.401 63.682 61.300 -0.031 0.000 1.402 172 I CB -0.087 37.901 38.000 -0.020 0.000 1.069 172 I HN 0.508 nan 8.210 nan 0.000 0.424 173 E N -0.668 119.448 120.200 -0.139 0.000 2.338 173 E HA -0.243 4.107 4.350 -0.000 0.000 0.197 173 E C 1.268 177.680 176.600 -0.313 0.000 1.007 173 E CA 1.285 57.552 56.400 -0.222 0.000 0.849 173 E CB -0.948 28.584 29.700 -0.280 0.000 0.774 173 E HN 0.608 nan 8.360 nan 0.000 0.506 174 H N -0.092 118.971 119.070 -0.012 0.000 2.539 174 H HA 0.194 4.750 4.556 -0.000 0.000 0.267 174 H C 0.385 175.693 175.328 -0.034 0.000 0.982 174 H CA -0.060 55.977 56.048 -0.019 0.000 1.146 174 H CB -0.076 29.674 29.762 -0.021 0.000 1.382 174 H HN 0.144 nan 8.280 nan 0.000 0.577 175 C N 1.325 120.636 119.300 0.018 0.000 2.335 175 C HA 0.563 5.023 4.460 -0.000 0.000 0.363 175 C C 1.238 176.209 174.990 -0.033 0.000 1.198 175 C CA -0.800 58.208 59.018 -0.018 0.000 2.279 175 C CB 1.147 28.866 27.740 -0.036 0.000 2.334 175 C HN 0.427 nan 8.230 nan 0.000 0.559 176 I N -0.009 120.526 120.570 -0.058 0.000 3.264 176 I HA 0.868 5.037 4.170 -0.000 0.000 0.309 176 I C 0.023 176.062 176.117 -0.129 0.000 1.099 176 I CA -0.231 61.022 61.300 -0.079 0.000 0.989 176 I CB 1.853 39.811 38.000 -0.070 0.000 1.250 176 I HN 0.688 nan 8.210 nan 0.000 0.478 177 S N 0.046 115.634 115.700 -0.186 0.000 2.823 177 S HA 0.395 4.864 4.470 -0.000 0.000 0.316 177 S C 0.908 175.313 174.600 -0.325 0.000 1.116 177 S CA 0.072 58.119 58.200 -0.256 0.000 0.911 177 S CB 1.000 64.012 63.200 -0.314 0.000 1.276 177 S HN 0.902 nan 8.310 nan 0.000 0.565 178 S N 1.153 116.625 115.700 -0.379 0.000 2.402 178 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 178 S C 1.490 175.969 174.600 -0.202 0.000 1.021 178 S CA 1.059 58.958 58.200 -0.501 0.000 0.974 178 S CB -1.104 61.892 63.200 -0.341 0.000 0.800 178 S HN 0.669 nan 8.310 nan 0.000 0.484 179 N N 2.313 120.882 118.700 -0.218 0.000 2.037 179 N HA -0.154 4.586 4.740 -0.000 0.000 0.196 179 N C 1.635 177.037 175.510 -0.179 0.000 1.034 179 N CA 2.071 54.932 53.050 -0.315 0.000 0.861 179 N CB -0.581 37.306 38.487 -0.999 0.000 1.039 179 N HN 0.583 nan 8.380 nan 0.000 0.427 180 E N 0.363 120.431 120.200 -0.221 0.000 2.216 180 E HA 0.138 4.488 4.350 -0.000 0.000 0.192 180 E C 1.885 178.595 176.600 0.184 0.000 0.988 180 E CA 0.653 57.098 56.400 0.075 0.000 0.834 180 E CB -0.235 29.477 29.700 0.021 0.000 0.772 180 E HN 0.364 nan 8.360 nan 0.000 0.479 181 A N 0.350 123.169 122.820 -0.001 0.000 1.940 181 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 181 A C 1.666 179.330 177.584 0.133 0.000 1.176 181 A CA 1.173 53.211 52.037 0.001 0.000 0.631 181 A CB -0.860 17.818 19.000 -0.537 0.000 0.814 181 A HN 0.273 nan 8.150 nan 0.000 0.446 182 F N -2.225 117.802 119.950 0.128 0.000 2.494 182 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 182 F C 1.049 176.595 175.800 -0.422 0.000 1.106 182 F CA 1.048 58.953 58.000 -0.158 0.000 1.452 182 F CB -0.303 38.480 39.000 -0.361 0.000 1.085 182 F HN 0.347 nan 8.300 nan 0.000 0.569 183 Y N -1.291 119.247 120.300 0.397 0.000 2.738 183 Y HA 0.328 4.878 4.550 -0.000 0.000 0.249 183 Y C 0.241 176.331 175.900 0.317 0.000 1.157 183 Y CA -0.982 57.311 58.100 0.322 0.000 1.189 183 Y CB -0.266 38.382 38.460 0.312 0.000 1.262 183 Y HN -0.259 nan 8.280 nan 0.000 0.554 184 L N 4.059 125.574 121.223 0.487 0.000 2.559 184 L HA -0.007 4.333 4.340 -0.000 0.000 0.274 184 L C -1.109 176.050 176.870 0.482 0.000 1.205 184 L CA -0.919 54.173 54.840 0.420 0.000 0.907 184 L CB 0.578 42.853 42.059 0.360 0.000 1.153 184 L HN 0.017 nan 8.230 nan 0.000 0.490 185 P HA -0.131 nan 4.420 nan 0.000 0.220 185 P C -0.287 177.205 177.300 0.321 0.000 1.148 185 P CA 1.185 64.451 63.100 0.278 0.000 0.803 185 P CB 0.166 31.971 31.700 0.175 0.000 0.782 186 E N -1.212 119.128 120.200 0.235 0.000 2.413 186 E HA 0.492 4.842 4.350 -0.000 0.000 0.277 186 E C -3.129 173.294 176.600 -0.295 0.000 0.958 186 E CA -2.889 53.581 56.400 0.117 0.000 0.779 186 E CB 1.115 30.862 29.700 0.079 0.000 1.278 186 E HN -0.191 nan 8.360 nan 0.000 0.456 187 P HA 0.192 nan 4.420 nan 0.000 0.281 187 P C -2.376 174.654 177.300 -0.450 0.000 1.252 187 P CA -1.424 61.132 63.100 -0.907 0.000 0.778 187 P CB 0.081 31.418 31.700 -0.604 0.000 0.895 188 P HA 0.110 nan 4.420 nan 0.000 0.268 188 P C 0.769 177.906 177.300 -0.273 0.000 1.204 188 P CA 0.017 62.891 63.100 -0.376 0.000 0.768 188 P CB 1.183 32.536 31.700 -0.578 0.000 0.842 189 R N 3.511 123.902 120.500 -0.181 0.000 2.057 189 R HA 0.036 4.375 4.340 -0.000 0.000 0.224 189 R C 0.525 176.759 176.300 -0.110 0.000 1.136 189 R CA 0.829 56.859 56.100 -0.116 0.000 0.968 189 R CB 0.253 30.506 30.300 -0.079 0.000 0.863 189 R HN 0.422 nan 8.270 nan 0.000 0.433 190 R N 0.304 120.731 120.500 -0.121 0.000 2.387 190 R HA 0.411 4.750 4.340 -0.000 0.000 0.314 190 R C -1.580 174.621 176.300 -0.165 0.000 0.958 190 R CA -0.510 55.525 56.100 -0.109 0.000 0.846 190 R CB 2.584 32.843 30.300 -0.070 0.000 1.147 190 R HN 0.036 nan 8.270 nan 0.000 0.447 191 V N 4.734 124.544 119.914 -0.173 0.000 2.841 191 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 191 V C -1.761 174.262 176.094 -0.118 0.000 1.090 191 V CA -1.021 61.137 62.300 -0.237 0.000 0.930 191 V CB 2.090 33.595 31.823 -0.530 0.000 1.014 191 V HN 0.590 nan 8.190 nan 0.000 0.425 192 L N 6.392 127.558 121.223 -0.094 0.000 2.287 192 L HA 0.784 5.123 4.340 -0.000 0.000 0.287 192 L C 0.237 177.102 176.870 -0.008 0.000 1.022 192 L CA 0.377 55.209 54.840 -0.014 0.000 0.814 192 L CB 1.686 43.755 42.059 0.016 0.000 1.217 192 L HN 0.942 nan 8.230 nan 0.000 0.420 193 T N 2.466 117.048 114.554 0.046 0.000 2.799 193 T HA 0.664 5.013 4.350 -0.000 0.000 0.286 193 T C -0.358 174.380 174.700 0.064 0.000 0.973 193 T CA -0.699 61.437 62.100 0.060 0.000 1.035 193 T CB 1.141 70.080 68.868 0.117 0.000 0.932 193 T HN 0.338 nan 8.240 nan 0.000 0.469 194 V N 3.210 123.149 119.914 0.043 0.000 2.347 194 V HA 0.841 4.960 4.120 -0.000 0.000 0.280 194 V C 0.769 176.909 176.094 0.076 0.000 1.021 194 V CA 0.070 62.415 62.300 0.074 0.000 0.847 194 V CB 0.292 32.143 31.823 0.047 0.000 0.990 194 V HN 1.514 nan 8.190 nan 0.000 0.444 195 G N 3.285 112.165 108.800 0.134 0.000 2.326 195 G HA2 0.339 4.299 3.960 -0.000 0.000 0.478 195 G HA3 0.339 4.299 3.960 -0.000 0.000 0.478 195 G C 0.231 175.161 174.900 0.050 0.000 1.551 195 G CA -0.296 44.891 45.100 0.146 0.000 0.946 195 G HN 0.963 nan 8.290 nan 0.000 0.671 196 G N -0.441 108.267 108.800 -0.153 0.000 3.042 196 G HA2 0.553 4.512 3.960 -0.000 0.000 0.212 196 G HA3 0.553 4.512 3.960 -0.000 0.000 0.212 196 G C 0.986 175.713 174.900 -0.289 0.000 1.166 196 G CA 1.243 46.004 45.100 -0.565 0.000 0.767 196 G HN 1.309 nan 8.290 nan 0.000 0.546 197 G N -0.036 108.692 108.800 -0.119 0.000 2.543 197 G HA2 0.384 4.344 3.960 -0.000 0.000 0.290 197 G HA3 0.384 4.344 3.960 -0.000 0.000 0.290 197 G C 0.784 175.697 174.900 0.022 0.000 1.310 197 G CA -0.264 44.849 45.100 0.021 0.000 1.025 197 G HN 0.215 nan 8.290 nan 0.000 0.502 198 F N -0.981 118.996 119.950 0.046 0.000 2.186 198 F HA 0.078 4.604 4.527 -0.000 0.000 0.299 198 F C 2.151 177.986 175.800 0.058 0.000 1.090 198 F CA 0.787 58.796 58.000 0.015 0.000 1.307 198 F CB -0.518 38.514 39.000 0.053 0.000 1.019 198 F HN 0.200 nan 8.300 nan 0.000 0.489 199 I N 0.333 120.371 120.570 -0.885 0.000 2.179 199 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 199 I C 2.887 178.972 176.117 -0.053 0.000 1.088 199 I CA 1.660 62.680 61.300 -0.467 0.000 1.357 199 I CB -0.806 36.899 38.000 -0.491 0.000 1.051 199 I HN 0.379 nan 8.210 nan 0.000 0.409 200 S N 0.411 116.061 115.700 -0.082 0.000 2.359 200 S HA -0.166 4.303 4.470 -0.000 0.000 0.224 200 S C 2.099 176.729 174.600 0.050 0.000 1.035 200 S CA 1.682 59.889 58.200 0.012 0.000 1.018 200 S CB -0.272 62.922 63.200 -0.010 0.000 0.876 200 S HN 0.230 nan 8.310 nan 0.000 0.448 201 V N 1.618 121.536 119.914 0.006 0.000 2.343 201 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 201 V C 2.430 178.529 176.094 0.008 0.000 1.051 201 V CA 2.111 64.412 62.300 0.002 0.000 1.036 201 V CB -0.779 31.024 31.823 -0.034 0.000 0.654 201 V HN 0.529 nan 8.190 nan 0.000 0.451 202 E N -0.619 119.587 120.200 0.011 0.000 2.077 202 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 202 E C 2.070 178.549 176.600 -0.202 0.000 0.989 202 E CA 1.495 57.860 56.400 -0.059 0.000 0.800 202 E CB -0.201 29.481 29.700 -0.031 0.000 0.746 202 E HN 0.594 nan 8.360 nan 0.000 0.452 203 F N 0.728 120.577 119.950 -0.168 0.000 2.206 203 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 203 F C 2.354 178.038 175.800 -0.193 0.000 1.090 203 F CA 0.832 58.630 58.000 -0.336 0.000 1.323 203 F CB -0.398 38.392 39.000 -0.349 0.000 1.028 203 F HN -0.004 nan 8.300 nan 0.000 0.492 204 A N 0.401 123.309 122.820 0.147 0.000 1.884 204 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 204 A C 2.565 180.203 177.584 0.091 0.000 1.197 204 A CA 2.193 54.325 52.037 0.158 0.000 0.637 204 A CB -1.653 17.403 19.000 0.094 0.000 0.827 204 A HN 0.415 nan 8.150 nan 0.000 0.450 205 G N -0.504 108.303 108.800 0.012 0.000 2.408 205 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 205 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 205 G C 1.528 176.432 174.900 0.007 0.000 1.150 205 G CA 1.047 46.148 45.100 0.002 0.000 0.776 205 G HN 0.478 nan 8.290 nan 0.000 0.542 206 I N -0.024 120.489 120.570 -0.096 0.000 2.127 206 I HA -0.164 4.006 4.170 -0.000 0.000 0.241 206 I C 2.421 178.614 176.117 0.126 0.000 1.075 206 I CA 1.044 62.302 61.300 -0.071 0.000 1.334 206 I CB -0.238 37.518 38.000 -0.406 0.000 1.040 206 I HN 0.055 nan 8.210 nan 0.000 0.405 207 F N 0.663 120.697 119.950 0.140 0.000 2.186 207 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 207 F C 2.341 178.174 175.800 0.056 0.000 1.090 207 F CA 1.411 59.448 58.000 0.061 0.000 1.307 207 F CB -1.227 37.775 39.000 0.004 0.000 1.019 207 F HN 0.153 nan 8.300 nan 0.000 0.489 208 N N 0.402 119.234 118.700 0.220 0.000 2.166 208 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 208 N C 1.765 177.326 175.510 0.086 0.000 1.019 208 N CA 1.364 54.485 53.050 0.119 0.000 0.856 208 N CB -0.212 38.319 38.487 0.074 0.000 0.993 208 N HN 0.167 nan 8.380 nan 0.000 0.426 209 A N -1.185 121.696 122.820 0.102 0.000 1.930 209 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 209 A C 1.453 178.994 177.584 -0.072 0.000 1.176 209 A CA 0.791 52.828 52.037 -0.000 0.000 0.632 209 A CB -0.667 18.318 19.000 -0.025 0.000 0.819 209 A HN 0.458 nan 8.150 nan 0.000 0.445 210 Y N 0.927 121.314 120.300 0.146 0.000 2.466 210 Y HA 0.100 4.650 4.550 -0.000 0.000 0.272 210 Y C 0.926 176.870 175.900 0.074 0.000 1.169 210 Y CA 0.204 58.410 58.100 0.176 0.000 1.285 210 Y CB 0.090 38.782 38.460 0.387 0.000 1.078 210 Y HN 0.317 nan 8.280 nan 0.000 0.523 211 K N 2.237 122.714 120.400 0.128 0.000 2.489 211 K HA 0.097 4.417 4.320 -0.000 0.000 0.278 211 K C -2.612 174.006 176.600 0.029 0.000 1.000 211 K CA -1.400 54.910 56.287 0.038 0.000 1.012 211 K CB -0.027 32.485 32.500 0.020 0.000 0.903 211 K HN -0.038 nan 8.250 nan 0.000 0.485 212 P HA 0.142 nan 4.420 nan 0.000 0.274 212 P C -2.526 174.779 177.300 0.008 0.000 1.260 212 P CA -1.357 61.752 63.100 0.016 0.000 0.793 212 P CB -0.683 31.019 31.700 0.003 0.000 1.048 213 P HA 0.124 nan 4.420 nan 0.000 0.268 213 P C 0.891 178.191 177.300 0.001 0.000 1.205 213 P CA 0.956 64.061 63.100 0.009 0.000 0.771 213 P CB -0.148 31.560 31.700 0.013 0.000 0.858 214 G N 1.704 110.504 108.800 -0.001 0.000 2.155 214 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.257 214 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.257 214 G C 0.657 175.549 174.900 -0.012 0.000 0.983 214 G CA -0.077 45.020 45.100 -0.006 0.000 0.676 214 G HN 0.898 nan 8.290 nan 0.000 0.528 215 G N -0.763 108.029 108.800 -0.013 0.000 2.636 215 G HA2 0.552 4.512 3.960 -0.000 0.000 0.246 215 G HA3 0.552 4.512 3.960 -0.000 0.000 0.246 215 G C -0.152 174.737 174.900 -0.018 0.000 1.216 215 G CA 0.583 45.669 45.100 -0.023 0.000 0.854 215 G HN 0.844 nan 8.290 nan 0.000 0.572 216 K N -0.527 119.858 120.400 -0.025 0.000 2.561 216 K HA 0.466 4.786 4.320 -0.000 0.000 0.254 216 K C -1.392 175.197 176.600 -0.019 0.000 0.942 216 K CA -0.523 55.753 56.287 -0.017 0.000 0.818 216 K CB 2.074 34.563 32.500 -0.018 0.000 1.306 216 K HN 0.341 nan 8.250 nan 0.000 0.435 217 V N 3.486 123.401 119.914 0.002 0.000 2.459 217 V HA 0.575 4.695 4.120 -0.000 0.000 0.295 217 V C -0.603 175.502 176.094 0.020 0.000 1.029 217 V CA -0.523 61.788 62.300 0.019 0.000 0.874 217 V CB 1.913 33.782 31.823 0.076 0.000 0.985 217 V HN 0.885 nan 8.190 nan 0.000 0.438 218 T N 6.160 120.727 114.554 0.022 0.000 2.829 218 T HA 0.624 4.974 4.350 -0.000 0.000 0.280 218 T C -0.679 174.052 174.700 0.052 0.000 0.999 218 T CA -0.320 61.797 62.100 0.028 0.000 0.983 218 T CB 1.556 70.443 68.868 0.032 0.000 0.968 218 T HN 0.542 nan 8.240 nan 0.000 0.446 219 L N 3.854 125.106 121.223 0.048 0.000 2.341 219 L HA 0.788 5.127 4.340 -0.000 0.000 0.278 219 L C -0.417 176.500 176.870 0.078 0.000 1.005 219 L CA -0.682 54.199 54.840 0.068 0.000 0.818 219 L CB 0.596 42.689 42.059 0.056 0.000 1.259 219 L HN 0.971 nan 8.230 nan 0.000 0.418 220 C N 2.813 122.186 119.300 0.122 0.000 2.493 220 C HA 0.758 5.217 4.460 -0.000 0.000 0.326 220 C C -0.858 174.268 174.990 0.226 0.000 1.200 220 C CA -0.904 58.200 59.018 0.145 0.000 1.739 220 C CB 0.954 28.822 27.740 0.214 0.000 2.300 220 C HN 0.839 nan 8.230 nan 0.000 0.500 221 Y N 2.742 123.061 120.300 0.032 0.000 2.479 221 Y HA 0.499 5.048 4.550 -0.000 0.000 0.338 221 Y C 1.226 177.144 175.900 0.031 0.000 1.055 221 Y CA -1.075 57.046 58.100 0.034 0.000 1.023 221 Y CB 1.366 39.841 38.460 0.025 0.000 1.287 221 Y HN 0.941 nan 8.280 nan 0.000 0.447 222 R N 2.233 122.378 120.500 -0.592 0.000 2.152 222 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 222 R C -0.694 175.277 176.300 -0.548 0.000 1.117 222 R CA 1.445 57.279 56.100 -0.444 0.000 0.981 222 R CB -0.281 29.841 30.300 -0.297 0.000 0.870 222 R HN 0.677 nan 8.270 nan 0.000 0.451 223 N N -0.223 117.831 118.700 -1.076 0.000 2.717 223 N HA 0.068 4.807 4.740 -0.000 0.000 0.314 223 N C 0.073 175.473 175.510 -0.184 0.000 1.324 223 N CA -0.527 52.213 53.050 -0.516 0.000 0.902 223 N CB 0.336 38.627 38.487 -0.327 0.000 1.126 223 N HN -0.036 nan 8.380 nan 0.000 0.579 224 N N -0.713 117.997 118.700 0.017 0.000 2.405 224 N HA 0.159 4.899 4.740 -0.000 0.000 0.175 224 N C -1.200 174.393 175.510 0.139 0.000 1.051 224 N CA 0.363 53.450 53.050 0.061 0.000 0.899 224 N CB 0.286 38.795 38.487 0.036 0.000 1.000 224 N HN 0.311 nan 8.380 nan 0.000 0.451 225 L N 1.149 122.523 121.223 0.251 0.000 2.505 225 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 225 L C -0.569 176.393 176.870 0.152 0.000 0.954 225 L CA -1.025 53.922 54.840 0.180 0.000 0.852 225 L CB 1.101 43.221 42.059 0.102 0.000 1.282 225 L HN 0.148 nan 8.230 nan 0.000 0.403 226 I N 2.161 122.731 120.570 0.001 0.000 3.246 226 I HA 0.258 4.428 4.170 -0.000 0.000 0.280 226 I C 0.377 176.386 176.117 -0.181 0.000 1.239 226 I CA -0.562 60.575 61.300 -0.271 0.000 1.336 226 I CB 0.164 38.049 38.000 -0.190 0.000 1.383 226 I HN 0.758 nan 8.210 nan 0.000 0.617 227 L N 0.560 121.657 121.223 -0.209 0.000 3.597 227 L HA -0.177 4.163 4.340 -0.000 0.000 0.440 227 L C 0.672 177.655 176.870 0.187 0.000 1.277 227 L CA 0.306 55.167 54.840 0.035 0.000 0.852 227 L CB -1.520 40.505 42.059 -0.056 0.000 1.708 227 L HN 0.726 nan 8.230 nan 0.000 0.885 228 R N 0.706 121.247 120.500 0.069 0.000 2.566 228 R HA 0.135 4.474 4.340 -0.000 0.000 0.273 228 R C 1.459 177.811 176.300 0.086 0.000 0.981 228 R CA 1.589 57.745 56.100 0.094 0.000 1.091 228 R CB 0.247 30.606 30.300 0.100 0.000 0.924 228 R HN 0.593 nan 8.270 nan 0.000 0.411 229 G N 2.736 111.539 108.800 0.005 0.000 2.217 229 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.246 229 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.246 229 G C -0.061 174.661 174.900 -0.297 0.000 0.990 229 G CA -0.105 44.905 45.100 -0.151 0.000 0.627 229 G HN 0.510 nan 8.290 nan 0.000 0.522 230 F N 1.555 121.475 119.950 -0.049 0.000 2.380 230 F HA 0.487 5.014 4.527 -0.000 0.000 0.321 230 F C 0.942 176.657 175.800 -0.143 0.000 1.103 230 F CA -0.540 57.411 58.000 -0.082 0.000 1.067 230 F CB 0.562 39.527 39.000 -0.059 0.000 1.265 230 F HN 0.038 nan 8.300 nan 0.000 0.517 231 D N 1.537 121.906 120.400 -0.053 0.000 2.571 231 D HA -0.120 4.520 4.640 -0.000 0.000 0.231 231 D C 0.825 177.103 176.300 -0.036 0.000 1.133 231 D CA 0.369 54.260 54.000 -0.182 0.000 0.862 231 D CB 0.808 41.460 40.800 -0.247 0.000 1.179 231 D HN 0.803 nan 8.370 nan 0.000 0.474 232 E N 1.891 122.078 120.200 -0.022 0.000 2.046 232 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 232 E C 1.539 178.149 176.600 0.017 0.000 0.982 232 E CA 1.153 57.562 56.400 0.015 0.000 0.800 232 E CB 0.162 29.881 29.700 0.032 0.000 0.756 232 E HN 0.577 nan 8.360 nan 0.000 0.449 233 T N 1.445 116.015 114.554 0.027 0.000 2.737 233 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 233 T C 1.850 176.548 174.700 -0.003 0.000 1.040 233 T CA 1.395 63.510 62.100 0.025 0.000 1.142 233 T CB -0.172 68.727 68.868 0.051 0.000 0.861 233 T HN 0.214 nan 8.240 nan 0.000 0.456 234 I N 0.367 120.927 120.570 -0.016 0.000 2.353 234 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 234 I C 2.765 178.850 176.117 -0.053 0.000 1.119 234 I CA 1.031 62.302 61.300 -0.047 0.000 1.417 234 I CB -0.292 37.677 38.000 -0.051 0.000 1.078 234 I HN 0.145 nan 8.210 nan 0.000 0.421 235 R N 0.895 121.380 120.500 -0.025 0.000 2.083 235 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 235 R C 2.172 178.457 176.300 -0.024 0.000 1.137 235 R CA 1.721 57.806 56.100 -0.024 0.000 0.951 235 R CB -0.316 29.991 30.300 0.013 0.000 0.851 235 R HN 0.432 nan 8.270 nan 0.000 0.434 236 E N 0.103 120.297 120.200 -0.010 0.000 2.051 236 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 236 E C 2.057 178.647 176.600 -0.017 0.000 0.991 236 E CA 0.817 57.213 56.400 -0.008 0.000 0.799 236 E CB 0.050 29.751 29.700 0.002 0.000 0.748 236 E HN 0.252 nan 8.360 nan 0.000 0.449 237 E N 0.545 120.731 120.200 -0.023 0.000 2.051 237 E HA -0.151 4.198 4.350 -0.000 0.000 0.192 237 E C 2.327 178.903 176.600 -0.039 0.000 0.991 237 E CA 0.853 57.236 56.400 -0.028 0.000 0.799 237 E CB -0.502 29.174 29.700 -0.040 0.000 0.748 237 E HN 0.181 nan 8.360 nan 0.000 0.449 238 V N 1.169 121.046 119.914 -0.063 0.000 2.469 238 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 238 V C 1.969 178.030 176.094 -0.055 0.000 1.064 238 V CA 2.534 64.791 62.300 -0.071 0.000 1.066 238 V CB -0.660 31.095 31.823 -0.112 0.000 0.667 238 V HN 0.219 nan 8.190 nan 0.000 0.461 239 T N -0.151 114.374 114.554 -0.047 0.000 2.684 239 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 239 T C 1.899 176.574 174.700 -0.042 0.000 1.036 239 T CA 2.192 64.269 62.100 -0.039 0.000 1.148 239 T CB -0.301 68.553 68.868 -0.024 0.000 0.863 239 T HN 0.547 nan 8.240 nan 0.000 0.436 240 K N 0.573 120.952 120.400 -0.034 0.000 2.057 240 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 240 K C 2.504 179.064 176.600 -0.066 0.000 1.049 240 K CA 1.219 57.484 56.287 -0.038 0.000 0.931 240 K CB -0.006 32.488 32.500 -0.011 0.000 0.714 240 K HN 0.423 nan 8.250 nan 0.000 0.440 241 Q N 0.029 119.809 119.800 -0.032 0.000 2.269 241 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 241 Q C 2.091 178.036 176.000 -0.091 0.000 0.946 241 Q CA 0.629 56.427 55.803 -0.008 0.000 0.877 241 Q CB 0.150 28.966 28.738 0.130 0.000 0.963 241 Q HN 0.278 nan 8.270 nan 0.000 0.472 242 L N 0.055 121.235 121.223 -0.072 0.000 2.056 242 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 242 L C 2.372 179.175 176.870 -0.112 0.000 1.078 242 L CA 1.202 55.998 54.840 -0.075 0.000 0.749 242 L CB -0.657 41.373 42.059 -0.048 0.000 0.901 242 L HN 0.174 nan 8.230 nan 0.000 0.433 243 T N 0.131 114.617 114.554 -0.114 0.000 2.720 243 T HA -0.220 4.129 4.350 -0.000 0.000 0.268 243 T C 1.990 176.569 174.700 -0.201 0.000 1.037 243 T CA 1.455 63.481 62.100 -0.123 0.000 1.144 243 T CB -0.306 68.506 68.868 -0.094 0.000 0.864 243 T HN 0.451 nan 8.240 nan 0.000 0.444 244 A N 1.558 124.179 122.820 -0.332 0.000 2.070 244 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 244 A C 2.063 179.321 177.584 -0.543 0.000 1.159 244 A CA 1.479 53.173 52.037 -0.573 0.000 0.656 244 A CB -0.513 17.800 19.000 -1.144 0.000 0.800 244 A HN 0.414 nan 8.150 nan 0.000 0.453 245 N N -1.239 117.236 118.700 -0.374 0.000 2.270 245 N HA 0.211 4.951 4.740 -0.000 0.000 0.198 245 N C 0.848 176.295 175.510 -0.105 0.000 1.117 245 N CA 1.001 53.937 53.050 -0.190 0.000 0.845 245 N CB 0.264 38.700 38.487 -0.084 0.000 0.980 245 N HN 0.547 nan 8.380 nan 0.000 0.486 246 G N 0.055 108.787 108.800 -0.114 0.000 2.148 246 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.203 246 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.203 246 G C -0.150 174.724 174.900 -0.043 0.000 0.993 246 G CA -0.185 44.874 45.100 -0.068 0.000 0.661 246 G HN 0.251 nan 8.290 nan 0.000 0.518 247 I N 1.025 121.568 120.570 -0.045 0.000 2.365 247 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 247 I C 0.536 176.636 176.117 -0.030 0.000 1.004 247 I CA -0.727 60.561 61.300 -0.021 0.000 1.311 247 I CB 1.486 39.480 38.000 -0.010 0.000 1.401 247 I HN 0.165 nan 8.210 nan 0.000 0.491 248 E N 6.683 126.871 120.200 -0.020 0.000 2.259 248 E HA 0.256 4.606 4.350 -0.000 0.000 0.281 248 E C -0.986 175.603 176.600 -0.018 0.000 1.037 248 E CA -0.289 56.096 56.400 -0.026 0.000 0.854 248 E CB 0.542 30.227 29.700 -0.026 0.000 1.051 248 E HN 0.258 nan 8.360 nan 0.000 0.409 249 I N 5.666 126.222 120.570 -0.024 0.000 2.307 249 I HA 0.211 4.381 4.170 -0.000 0.000 0.289 249 I C -0.032 176.070 176.117 -0.026 0.000 1.021 249 I CA -0.282 61.011 61.300 -0.011 0.000 1.224 249 I CB 0.715 38.710 38.000 -0.008 0.000 1.376 249 I HN 0.658 nan 8.210 nan 0.000 0.470 250 M N 6.602 126.183 119.600 -0.031 0.000 2.152 250 M HA 0.201 4.681 4.480 -0.000 0.000 0.354 250 M C 0.201 176.479 176.300 -0.037 0.000 1.173 250 M CA -0.359 54.889 55.300 -0.086 0.000 1.110 250 M CB 0.885 33.372 32.600 -0.187 0.000 1.366 250 M HN 0.646 nan 8.290 nan 0.000 0.415 251 T N -0.462 114.078 114.554 -0.022 0.000 2.902 251 T HA 0.336 4.685 4.350 -0.000 0.000 0.280 251 T C 0.747 175.411 174.700 -0.061 0.000 0.992 251 T CA -0.762 61.344 62.100 0.009 0.000 1.015 251 T CB 0.733 69.631 68.868 0.051 0.000 1.044 251 T HN 0.725 nan 8.240 nan 0.000 0.520 252 N N 0.944 119.591 118.700 -0.087 0.000 2.710 252 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 252 N C -0.689 174.759 175.510 -0.103 0.000 1.059 252 N CA 0.953 53.937 53.050 -0.110 0.000 0.720 252 N CB -0.751 37.689 38.487 -0.079 0.000 0.983 252 N HN 0.726 nan 8.380 nan 0.000 0.544 253 E N 0.410 120.550 120.200 -0.101 0.000 2.317 253 E HA 0.514 4.864 4.350 -0.000 0.000 0.270 253 E C -0.631 176.029 176.600 0.099 0.000 0.885 253 E CA -0.633 55.723 56.400 -0.074 0.000 0.760 253 E CB 2.214 31.703 29.700 -0.351 0.000 1.227 253 E HN 0.214 nan 8.360 nan 0.000 0.434 254 N N 1.675 120.549 118.700 0.290 0.000 2.503 254 N HA 0.303 5.043 4.740 -0.000 0.000 0.287 254 N C -3.030 172.606 175.510 0.210 0.000 1.096 254 N CA -1.560 51.626 53.050 0.226 0.000 0.936 254 N CB 1.802 40.331 38.487 0.070 0.000 1.570 254 N HN -0.013 nan 8.380 nan 0.000 0.504 255 P HA 0.066 nan 4.420 nan 0.000 0.261 255 P C -0.370 176.854 177.300 -0.127 0.000 1.173 255 P CA 0.191 63.125 63.100 -0.277 0.000 0.760 255 P CB 0.786 32.327 31.700 -0.266 0.000 0.783 256 A N 3.884 126.622 122.820 -0.137 0.000 2.063 256 A HA 0.131 4.451 4.320 -0.000 0.000 0.211 256 A C 0.749 178.289 177.584 -0.072 0.000 1.177 256 A CA 1.088 53.085 52.037 -0.067 0.000 0.759 256 A CB -0.104 18.876 19.000 -0.033 0.000 0.857 256 A HN 0.528 nan 8.150 nan 0.000 0.468 257 K N -1.213 119.118 120.400 -0.115 0.000 2.587 257 K HA 0.535 4.855 4.320 -0.000 0.000 0.276 257 K C -2.291 174.243 176.600 -0.110 0.000 0.956 257 K CA -0.506 55.734 56.287 -0.078 0.000 0.857 257 K CB 1.821 34.298 32.500 -0.038 0.000 1.431 257 K HN -0.031 nan 8.250 nan 0.000 0.420 258 V N 1.988 121.873 119.914 -0.049 0.000 2.709 258 V HA 0.588 4.708 4.120 -0.000 0.000 0.308 258 V C -0.840 175.271 176.094 0.028 0.000 1.062 258 V CA -0.589 61.688 62.300 -0.038 0.000 0.901 258 V CB 1.768 33.573 31.823 -0.029 0.000 1.003 258 V HN 0.955 nan 8.190 nan 0.000 0.425 259 S N 3.619 119.325 115.700 0.010 0.000 2.627 259 S HA 0.814 5.284 4.470 -0.000 0.000 0.283 259 S C -1.182 173.332 174.600 -0.144 0.000 1.127 259 S CA -0.801 57.379 58.200 -0.035 0.000 0.863 259 S CB 1.973 65.180 63.200 0.012 0.000 1.121 259 S HN 0.624 nan 8.310 nan 0.000 0.479 260 L N 2.640 123.692 121.223 -0.285 0.000 2.281 260 L HA 0.484 4.824 4.340 -0.000 0.000 0.285 260 L C -0.476 176.304 176.870 -0.149 0.000 1.074 260 L CA -0.064 54.598 54.840 -0.296 0.000 0.817 260 L CB 0.050 41.880 42.059 -0.383 0.000 1.168 260 L HN 0.683 nan 8.230 nan 0.000 0.434 261 N N 1.637 120.273 118.700 -0.107 0.000 2.483 261 N HA 0.161 4.900 4.740 -0.000 0.000 0.269 261 N C 1.178 176.644 175.510 -0.073 0.000 1.209 261 N CA 0.511 53.512 53.050 -0.081 0.000 0.969 261 N CB 1.282 39.737 38.487 -0.053 0.000 1.173 261 N HN 0.739 nan 8.380 nan 0.000 0.475 262 T N -2.507 112.010 114.554 -0.062 0.000 2.881 262 T HA -0.197 4.153 4.350 -0.000 0.000 0.270 262 T C 0.774 175.451 174.700 -0.039 0.000 1.068 262 T CA 1.287 63.358 62.100 -0.049 0.000 1.131 262 T CB -0.205 68.638 68.868 -0.042 0.000 0.871 262 T HN 0.603 nan 8.240 nan 0.000 0.479 263 D N 0.504 120.881 120.400 -0.037 0.000 2.328 263 D HA 0.281 4.921 4.640 -0.000 0.000 0.221 263 D C 1.625 177.907 176.300 -0.029 0.000 1.072 263 D CA 0.463 54.446 54.000 -0.029 0.000 0.850 263 D CB -0.600 40.185 40.800 -0.025 0.000 0.922 263 D HN 0.596 nan 8.370 nan 0.000 0.516 264 G N 0.060 108.837 108.800 -0.038 0.000 2.217 264 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.246 264 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.246 264 G C 0.535 175.408 174.900 -0.045 0.000 0.990 264 G CA 0.403 45.481 45.100 -0.037 0.000 0.627 264 G HN 0.836 nan 8.290 nan 0.000 0.522 265 S N -0.411 115.262 115.700 -0.045 0.000 2.634 265 S HA 0.723 5.193 4.470 -0.000 0.000 0.261 265 S C -0.049 174.522 174.600 -0.049 0.000 1.271 265 S CA 0.230 58.404 58.200 -0.043 0.000 0.985 265 S CB 1.691 64.871 63.200 -0.032 0.000 0.968 265 S HN 0.404 nan 8.310 nan 0.000 0.568 266 K N 0.209 120.585 120.400 -0.040 0.000 2.270 266 K HA 0.414 4.734 4.320 -0.000 0.000 0.255 266 K C -1.264 175.339 176.600 0.006 0.000 0.936 266 K CA -0.448 55.816 56.287 -0.037 0.000 0.809 266 K CB 1.296 33.767 32.500 -0.048 0.000 1.131 266 K HN 0.751 nan 8.250 nan 0.000 0.427 267 H N 1.569 120.584 119.070 -0.092 0.000 2.581 267 H HA 0.417 4.973 4.556 -0.000 0.000 0.308 267 H C -1.190 174.076 175.328 -0.103 0.000 1.040 267 H CA -0.632 55.368 56.048 -0.080 0.000 1.231 267 H CB 0.534 30.254 29.762 -0.069 0.000 1.396 267 H HN 0.223 nan 8.280 nan 0.000 0.467 268 V N 5.459 125.118 119.914 -0.425 0.000 2.439 268 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 268 V C 0.136 175.890 176.094 -0.567 0.000 1.039 268 V CA -0.546 61.480 62.300 -0.456 0.000 0.913 268 V CB 1.593 33.114 31.823 -0.503 0.000 0.983 268 V HN 0.873 nan 8.190 nan 0.000 0.460 269 T N 5.462 119.750 114.554 -0.444 0.000 2.770 269 T HA 0.599 4.948 4.350 -0.000 0.000 0.283 269 T C -0.407 174.096 174.700 -0.328 0.000 0.988 269 T CA -0.156 61.766 62.100 -0.296 0.000 0.957 269 T CB 0.574 69.372 68.868 -0.116 0.000 0.930 269 T HN 0.260 nan 8.240 nan 0.000 0.443 270 F N 1.319 121.228 119.950 -0.069 0.000 2.406 270 F HA 0.245 4.772 4.527 -0.000 0.000 0.327 270 F C 1.997 177.776 175.800 -0.035 0.000 1.153 270 F CA -0.603 57.368 58.000 -0.049 0.000 1.218 270 F CB 0.551 39.522 39.000 -0.048 0.000 1.215 270 F HN 0.658 nan 8.300 nan 0.000 0.570 271 E N 0.206 120.496 120.200 0.149 0.000 2.219 271 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 271 E C 1.946 178.589 176.600 0.071 0.000 0.998 271 E CA 1.621 58.067 56.400 0.076 0.000 0.818 271 E CB -0.115 29.618 29.700 0.054 0.000 0.741 271 E HN 0.624 nan 8.360 nan 0.000 0.477 272 S N -1.477 114.282 115.700 0.098 0.000 2.527 272 S HA 0.155 4.625 4.470 -0.000 0.000 0.222 272 S C 1.615 176.247 174.600 0.054 0.000 0.985 272 S CA 0.491 58.722 58.200 0.052 0.000 0.921 272 S CB 0.708 63.919 63.200 0.018 0.000 0.772 272 S HN 0.394 nan 8.310 nan 0.000 0.529 273 G N 1.154 110.006 108.800 0.087 0.000 2.284 273 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 273 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 273 G C 0.019 174.975 174.900 0.092 0.000 1.009 273 G CA -0.162 44.981 45.100 0.071 0.000 0.625 273 G HN 0.579 nan 8.290 nan 0.000 0.501 274 K N 1.619 122.086 120.400 0.112 0.000 2.440 274 K HA 0.436 4.755 4.320 -0.000 0.000 0.270 274 K C 0.625 177.377 176.600 0.253 0.000 0.980 274 K CA 1.142 57.506 56.287 0.128 0.000 0.953 274 K CB 0.424 32.930 32.500 0.010 0.000 0.925 274 K HN 0.538 nan 8.250 nan 0.000 0.497 275 T N -0.699 113.951 114.554 0.160 0.000 2.906 275 T HA 0.671 5.021 4.350 -0.000 0.000 0.295 275 T C -1.213 173.526 174.700 0.066 0.000 1.075 275 T CA -1.052 61.066 62.100 0.031 0.000 1.005 275 T CB 1.315 70.119 68.868 -0.107 0.000 1.136 275 T HN 0.330 nan 8.240 nan 0.000 0.498 276 L N 1.212 122.408 121.223 -0.045 0.000 2.526 276 L HA 0.547 4.887 4.340 -0.000 0.000 0.263 276 L C -1.871 174.964 176.870 -0.058 0.000 0.943 276 L CA -0.368 54.488 54.840 0.027 0.000 0.859 276 L CB 2.330 44.499 42.059 0.183 0.000 1.313 276 L HN 0.794 nan 8.230 nan 0.000 0.406 277 D N 4.257 124.661 120.400 0.006 0.000 2.233 277 D HA 0.627 5.267 4.640 -0.000 0.000 0.240 277 D C -0.531 175.763 176.300 -0.009 0.000 1.074 277 D CA 0.114 54.126 54.000 0.019 0.000 0.838 277 D CB 2.225 43.066 40.800 0.068 0.000 1.124 277 D HN 0.415 nan 8.370 nan 0.000 0.475 278 V N -0.830 119.064 119.914 -0.032 0.000 3.078 278 V HA 0.390 4.510 4.120 -0.000 0.000 0.311 278 V C 0.449 176.500 176.094 -0.071 0.000 1.138 278 V CA -0.799 61.466 62.300 -0.058 0.000 1.007 278 V CB 2.561 34.340 31.823 -0.073 0.000 1.045 278 V HN 0.281 nan 8.190 nan 0.000 0.432 279 D N 0.583 120.925 120.400 -0.097 0.000 2.234 279 D HA 0.112 4.752 4.640 -0.000 0.000 0.205 279 D C 0.272 176.500 176.300 -0.121 0.000 0.962 279 D CA 1.456 55.394 54.000 -0.103 0.000 0.855 279 D CB 1.042 41.768 40.800 -0.123 0.000 0.951 279 D HN 0.376 nan 8.370 nan 0.000 0.500 280 V N 0.981 120.799 119.914 -0.160 0.000 2.777 280 V HA 0.189 4.309 4.120 -0.000 0.000 0.306 280 V C -0.612 175.383 176.094 -0.164 0.000 1.112 280 V CA -0.781 61.413 62.300 -0.177 0.000 0.917 280 V CB 3.086 34.742 31.823 -0.278 0.000 1.018 280 V HN -0.285 nan 8.190 nan 0.000 0.426 281 V N 5.553 125.396 119.914 -0.118 0.000 2.326 281 V HA 0.471 4.591 4.120 -0.000 0.000 0.281 281 V C -0.061 175.976 176.094 -0.097 0.000 1.015 281 V CA -0.277 61.964 62.300 -0.099 0.000 0.823 281 V CB 1.517 33.291 31.823 -0.081 0.000 1.009 281 V HN 0.872 nan 8.190 nan 0.000 0.436 282 M N 6.233 125.774 119.600 -0.098 0.000 2.061 282 M HA 0.505 4.985 4.480 -0.000 0.000 0.346 282 M C -0.746 175.503 176.300 -0.085 0.000 1.112 282 M CA -0.459 54.777 55.300 -0.107 0.000 1.021 282 M CB 1.067 33.601 32.600 -0.110 0.000 1.530 282 M HN 0.459 nan 8.290 nan 0.000 0.437 283 M N 4.102 123.646 119.600 -0.092 0.000 2.146 283 M HA 0.305 4.784 4.480 -0.000 0.000 0.352 283 M C -0.077 176.167 176.300 -0.094 0.000 1.343 283 M CA 0.084 55.342 55.300 -0.070 0.000 1.115 283 M CB 0.746 33.310 32.600 -0.060 0.000 1.657 283 M HN 0.787 nan 8.290 nan 0.000 0.471 284 A N 4.903 127.685 122.820 -0.064 0.000 3.355 284 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 284 A C 0.575 178.137 177.584 -0.036 0.000 0.973 284 A CA -0.479 51.507 52.037 -0.085 0.000 0.933 284 A CB -0.414 18.518 19.000 -0.112 0.000 1.138 284 A HN 0.940 nan 8.150 nan 0.000 0.490 285 I N -3.431 117.135 120.570 -0.006 0.000 3.956 285 I HA 0.637 4.807 4.170 -0.000 0.000 0.333 285 I C 0.637 176.785 176.117 0.051 0.000 1.302 285 I CA 0.245 61.573 61.300 0.046 0.000 1.122 285 I CB 0.639 38.674 38.000 0.058 0.000 1.013 285 I HN 0.426 nan 8.210 nan 0.000 0.405 286 G N 0.919 109.733 108.800 0.023 0.000 2.328 286 G HA2 0.401 4.361 3.960 -0.000 0.000 0.299 286 G HA3 0.401 4.361 3.960 -0.000 0.000 0.299 286 G C -1.690 173.231 174.900 0.034 0.000 1.435 286 G CA -1.103 44.025 45.100 0.046 0.000 0.865 286 G HN 0.134 nan 8.290 nan 0.000 0.601 287 R N -0.421 120.119 120.500 0.068 0.000 2.621 287 R HA 0.658 4.998 4.340 -0.000 0.000 0.284 287 R C -0.298 176.072 176.300 0.116 0.000 0.998 287 R CA -0.844 55.306 56.100 0.084 0.000 0.895 287 R CB 2.168 32.525 30.300 0.095 0.000 1.195 287 R HN 0.737 nan 8.270 nan 0.000 0.450 288 I N -0.808 119.850 120.570 0.146 0.000 2.646 288 I HA 0.623 4.793 4.170 -0.000 0.000 0.299 288 I C -2.593 173.625 176.117 0.168 0.000 1.036 288 I CA -3.271 58.116 61.300 0.144 0.000 1.074 288 I CB 2.135 40.218 38.000 0.138 0.000 1.258 288 I HN 0.261 nan 8.210 nan 0.000 0.430 289 P HA 0.088 nan 4.420 nan 0.000 0.265 289 P C -0.803 176.577 177.300 0.134 0.000 1.193 289 P CA -0.160 63.016 63.100 0.128 0.000 0.765 289 P CB 0.426 32.182 31.700 0.094 0.000 0.823 290 R N 2.101 122.685 120.500 0.140 0.000 3.701 290 R HA 0.116 4.456 4.340 -0.000 0.000 0.210 290 R C 0.602 176.941 176.300 0.065 0.000 1.598 290 R CA 0.151 56.316 56.100 0.109 0.000 1.427 290 R CB -0.673 29.701 30.300 0.123 0.000 1.339 290 R HN 0.527 nan 8.270 nan 0.000 0.720 291 T N -2.249 112.338 114.554 0.055 0.000 3.105 291 T HA 0.120 4.470 4.350 -0.000 0.000 0.253 291 T C 0.970 175.685 174.700 0.024 0.000 1.047 291 T CA -0.203 61.922 62.100 0.041 0.000 0.944 291 T CB 0.151 69.044 68.868 0.042 0.000 1.016 291 T HN 0.319 nan 8.240 nan 0.000 0.544 292 N N 1.921 120.629 118.700 0.012 0.000 2.336 292 N HA -0.021 4.719 4.740 -0.000 0.000 0.177 292 N C 0.452 175.955 175.510 -0.012 0.000 1.018 292 N CA 0.972 54.019 53.050 -0.004 0.000 0.878 292 N CB 0.120 38.596 38.487 -0.019 0.000 0.997 292 N HN 0.445 nan 8.380 nan 0.000 0.433 293 D N 0.800 121.200 120.400 -0.001 0.000 2.328 293 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 293 D C 1.559 177.876 176.300 0.029 0.000 1.066 293 D CA 0.077 54.081 54.000 0.008 0.000 0.861 293 D CB 0.272 41.108 40.800 0.061 0.000 0.912 293 D HN 0.250 nan 8.370 nan 0.000 0.521 294 L N -0.224 121.012 121.223 0.022 0.000 2.529 294 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 294 L C 0.435 177.311 176.870 0.009 0.000 1.113 294 L CA 0.170 55.023 54.840 0.021 0.000 0.861 294 L CB -0.111 41.962 42.059 0.024 0.000 1.012 294 L HN -0.100 nan 8.230 nan 0.000 0.461 295 Q N -0.281 119.520 119.800 0.001 0.000 2.468 295 Q HA -0.233 4.107 4.340 -0.000 0.000 0.289 295 Q C 1.048 177.046 176.000 -0.004 0.000 1.299 295 Q CA 0.113 55.913 55.803 -0.005 0.000 0.838 295 Q CB -1.968 26.765 28.738 -0.009 0.000 1.195 295 Q HN 0.508 nan 8.270 nan 0.000 0.456 296 L N -1.318 119.905 121.223 0.000 0.000 2.261 296 L HA -0.141 4.199 4.340 -0.000 0.000 0.216 296 L C 2.259 179.127 176.870 -0.004 0.000 1.114 296 L CA 1.449 56.288 54.840 -0.001 0.000 0.777 296 L CB -0.334 41.728 42.059 0.005 0.000 0.910 296 L HN 0.508 nan 8.230 nan 0.000 0.440 297 G N -0.518 108.279 108.800 -0.005 0.000 2.484 297 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 297 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 297 G C 1.346 176.241 174.900 -0.009 0.000 1.130 297 G CA 0.228 45.324 45.100 -0.006 0.000 0.784 297 G HN 0.321 nan 8.290 nan 0.000 0.543 298 N N 0.138 118.832 118.700 -0.010 0.000 2.289 298 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 298 N C 2.167 177.669 175.510 -0.013 0.000 1.016 298 N CA 1.616 54.658 53.050 -0.012 0.000 0.872 298 N CB 0.102 38.582 38.487 -0.012 0.000 0.973 298 N HN 0.432 nan 8.380 nan 0.000 0.433 299 V N -4.635 115.270 119.914 -0.014 0.000 3.548 299 V HA 0.524 4.643 4.120 -0.000 0.000 0.279 299 V C 0.879 176.963 176.094 -0.017 0.000 1.446 299 V CA 0.726 63.015 62.300 -0.018 0.000 1.023 299 V CB 0.291 32.100 31.823 -0.024 0.000 0.820 299 V HN 0.193 nan 8.190 nan 0.000 0.438 300 G N 1.026 109.819 108.800 -0.013 0.000 2.164 300 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.212 300 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.212 300 G C -0.104 174.790 174.900 -0.010 0.000 1.031 300 G CA -0.047 45.047 45.100 -0.010 0.000 0.730 300 G HN 1.009 nan 8.290 nan 0.000 0.501 301 V N 1.026 120.934 119.914 -0.010 0.000 2.450 301 V HA 0.150 4.270 4.120 -0.000 0.000 0.281 301 V C 1.312 177.407 176.094 0.001 0.000 1.019 301 V CA 0.294 62.589 62.300 -0.008 0.000 1.062 301 V CB 0.921 32.740 31.823 -0.007 0.000 0.979 301 V HN 0.412 nan 8.190 nan 0.000 0.477 302 K N 4.726 125.128 120.400 0.003 0.000 2.382 302 K HA 0.374 4.693 4.320 -0.000 0.000 0.275 302 K C -0.441 176.167 176.600 0.013 0.000 1.009 302 K CA -0.179 56.113 56.287 0.008 0.000 0.970 302 K CB 0.488 32.993 32.500 0.008 0.000 0.934 302 K HN 0.525 nan 8.250 nan 0.000 0.479 303 L N 1.763 122.994 121.223 0.015 0.000 2.334 303 L HA 0.352 4.692 4.340 -0.000 0.000 0.270 303 L C 0.801 177.682 176.870 0.018 0.000 1.018 303 L CA -1.042 53.809 54.840 0.019 0.000 0.811 303 L CB 1.557 43.629 42.059 0.021 0.000 1.271 303 L HN 0.738 nan 8.230 nan 0.000 0.443 304 T N -2.724 111.841 114.554 0.020 0.000 2.828 304 T HA 0.209 4.559 4.350 -0.000 0.000 0.290 304 T C -1.807 172.904 174.700 0.018 0.000 1.019 304 T CA -1.402 60.708 62.100 0.017 0.000 1.031 304 T CB 0.900 69.778 68.868 0.015 0.000 1.001 304 T HN 0.372 nan 8.240 nan 0.000 0.531 305 P HA -0.083 nan 4.420 nan 0.000 0.217 305 P C 1.310 178.623 177.300 0.022 0.000 1.148 305 P CA 1.225 64.335 63.100 0.017 0.000 0.834 305 P CB 0.049 31.758 31.700 0.015 0.000 0.783 306 K N -2.173 118.241 120.400 0.024 0.000 2.362 306 K HA 0.048 4.367 4.320 -0.000 0.000 0.200 306 K C 1.411 178.033 176.600 0.038 0.000 1.046 306 K CA 1.102 57.408 56.287 0.031 0.000 0.952 306 K CB -0.310 32.208 32.500 0.030 0.000 0.753 306 K HN 0.259 nan 8.250 nan 0.000 0.466 307 G N 0.172 108.994 108.800 0.037 0.000 2.255 307 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.196 307 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.196 307 G C 0.313 175.241 174.900 0.046 0.000 0.998 307 G CA -0.313 44.813 45.100 0.043 0.000 0.656 307 G HN 0.468 nan 8.290 nan 0.000 0.490 308 G N -0.195 108.631 108.800 0.043 0.000 2.507 308 G HA2 0.586 4.546 3.960 -0.000 0.000 0.271 308 G HA3 0.586 4.546 3.960 -0.000 0.000 0.271 308 G C 0.239 175.162 174.900 0.038 0.000 1.189 308 G CA 0.106 45.234 45.100 0.045 0.000 0.859 308 G HN 0.862 nan 8.290 nan 0.000 0.542 309 V N 1.425 121.364 119.914 0.042 0.000 2.521 309 V HA 0.072 4.192 4.120 -0.000 0.000 0.286 309 V C 0.780 176.895 176.094 0.035 0.000 1.034 309 V CA -0.033 62.290 62.300 0.038 0.000 1.045 309 V CB 1.042 32.892 31.823 0.045 0.000 0.974 309 V HN 0.808 nan 8.190 nan 0.000 0.480 310 Q N 3.736 123.553 119.800 0.028 0.000 2.314 310 Q HA 0.516 4.856 4.340 -0.000 0.000 0.258 310 Q C -0.690 175.331 176.000 0.036 0.000 0.954 310 Q CA -0.276 55.542 55.803 0.026 0.000 0.890 310 Q CB 1.379 30.129 28.738 0.020 0.000 1.210 310 Q HN 0.780 nan 8.270 nan 0.000 0.410 311 V N 0.319 120.256 119.914 0.038 0.000 3.114 311 V HA 0.527 4.647 4.120 -0.000 0.000 0.308 311 V C -0.909 175.218 176.094 0.055 0.000 1.168 311 V CA -1.122 61.214 62.300 0.061 0.000 1.015 311 V CB 1.862 33.730 31.823 0.074 0.000 1.050 311 V HN 0.928 nan 8.190 nan 0.000 0.433 312 D N 0.299 120.751 120.400 0.088 0.000 2.511 312 D HA 0.290 4.930 4.640 -0.000 0.000 0.276 312 D C 0.796 177.132 176.300 0.060 0.000 1.220 312 D CA -0.280 53.772 54.000 0.086 0.000 1.077 312 D CB 0.517 41.404 40.800 0.144 0.000 1.126 312 D HN 0.681 nan 8.370 nan 0.000 0.583 313 E N -1.168 119.030 120.200 -0.003 0.000 2.267 313 E HA -0.124 4.226 4.350 -0.000 0.000 0.197 313 E C 0.884 177.278 176.600 -0.343 0.000 0.998 313 E CA 0.889 57.173 56.400 -0.195 0.000 0.830 313 E CB -0.350 29.131 29.700 -0.365 0.000 0.751 313 E HN 0.420 nan 8.360 nan 0.000 0.491 314 F N -0.318 119.660 119.950 0.047 0.000 2.641 314 F HA 0.205 4.732 4.527 -0.000 0.000 0.302 314 F C 0.829 176.649 175.800 0.033 0.000 1.098 314 F CA -0.129 57.883 58.000 0.021 0.000 1.318 314 F CB 0.604 39.604 39.000 0.000 0.000 1.035 314 F HN -0.252 nan 8.300 nan 0.000 0.551 315 S N -0.289 115.518 115.700 0.179 0.000 3.171 315 S HA -0.208 4.262 4.470 -0.000 0.000 0.279 315 S C 0.492 175.251 174.600 0.265 0.000 1.294 315 S CA 0.150 58.452 58.200 0.171 0.000 1.077 315 S CB -1.271 62.002 63.200 0.123 0.000 1.298 315 S HN 0.434 nan 8.310 nan 0.000 0.666 316 R N 2.512 123.184 120.500 0.286 0.000 2.298 316 R HA 0.354 4.693 4.340 -0.000 0.000 0.310 316 R C 1.207 177.589 176.300 0.136 0.000 1.068 316 R CA 0.477 56.752 56.100 0.292 0.000 0.957 316 R CB 0.616 31.067 30.300 0.253 0.000 1.003 316 R HN 0.525 nan 8.270 nan 0.000 0.454 317 T N -0.700 113.888 114.554 0.055 0.000 2.689 317 T HA -0.045 4.305 4.350 -0.000 0.000 0.308 317 T C 1.387 176.088 174.700 0.003 0.000 1.021 317 T CA -0.406 61.703 62.100 0.015 0.000 0.973 317 T CB 0.460 69.315 68.868 -0.021 0.000 1.113 317 T HN 0.701 nan 8.240 nan 0.000 0.522 318 N N -0.521 118.177 118.700 -0.003 0.000 2.494 318 N HA -0.041 4.699 4.740 -0.000 0.000 0.182 318 N C 0.079 175.575 175.510 -0.024 0.000 1.076 318 N CA 0.124 53.171 53.050 -0.005 0.000 0.908 318 N CB -0.282 38.205 38.487 0.000 0.000 0.967 318 N HN 0.377 nan 8.380 nan 0.000 0.449 319 V N 3.147 123.033 119.914 -0.046 0.000 2.364 319 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 319 V C -2.141 173.890 176.094 -0.104 0.000 1.036 319 V CA -1.637 60.625 62.300 -0.064 0.000 0.880 319 V CB 1.165 32.949 31.823 -0.066 0.000 0.991 319 V HN 0.040 nan 8.190 nan 0.000 0.460 320 P HA 0.083 nan 4.420 nan 0.000 0.266 320 P C 0.623 177.830 177.300 -0.155 0.000 1.195 320 P CA 0.541 63.587 63.100 -0.089 0.000 0.768 320 P CB 0.118 31.790 31.700 -0.046 0.000 0.838 321 N N 0.720 119.291 118.700 -0.215 0.000 2.965 321 N HA -0.188 4.552 4.740 -0.000 0.000 0.232 321 N C -0.959 174.188 175.510 -0.605 0.000 0.913 321 N CA 0.881 53.775 53.050 -0.261 0.000 0.981 321 N CB -2.102 36.295 38.487 -0.151 0.000 1.077 321 N HN 0.296 nan 8.380 nan 0.000 0.589 322 I N 1.013 121.168 120.570 -0.692 0.000 2.378 322 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 322 I C -0.641 175.063 176.117 -0.689 0.000 0.992 322 I CA -0.948 60.010 61.300 -0.570 0.000 1.154 322 I CB 0.730 38.595 38.000 -0.225 0.000 1.315 322 I HN 0.047 nan 8.210 nan 0.000 0.448 323 Y N 4.153 124.483 120.300 0.049 0.000 2.570 323 Y HA 0.837 5.387 4.550 -0.000 0.000 0.345 323 Y C 0.015 175.943 175.900 0.046 0.000 1.014 323 Y CA -1.205 56.921 58.100 0.043 0.000 1.063 323 Y CB 1.756 40.233 38.460 0.029 0.000 1.272 323 Y HN 0.549 nan 8.280 nan 0.000 0.477 324 A N 2.197 125.141 122.820 0.207 0.000 2.422 324 A HA 0.900 5.220 4.320 -0.000 0.000 0.302 324 A C -1.116 176.546 177.584 0.130 0.000 1.041 324 A CA -0.691 51.431 52.037 0.143 0.000 0.708 324 A CB 0.973 20.032 19.000 0.098 0.000 1.257 324 A HN 0.812 nan 8.150 nan 0.000 0.414 325 I N -1.068 119.572 120.570 0.115 0.000 3.074 325 I HA 0.941 5.111 4.170 -0.000 0.000 0.310 325 I C 0.532 176.709 176.117 0.101 0.000 1.153 325 I CA -0.332 61.030 61.300 0.104 0.000 0.993 325 I CB 1.942 39.998 38.000 0.093 0.000 1.237 325 I HN 1.834 nan 8.210 nan 0.000 0.443 326 G N 2.708 111.570 108.800 0.103 0.000 2.553 326 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.242 326 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.242 326 G C 0.040 175.002 174.900 0.104 0.000 1.277 326 G CA 0.630 45.792 45.100 0.103 0.000 0.910 326 G HN 0.817 nan 8.290 nan 0.000 0.576 327 D N -0.194 120.273 120.400 0.112 0.000 2.178 327 D HA -0.044 4.595 4.640 -0.000 0.000 0.201 327 D C 2.347 178.711 176.300 0.107 0.000 0.980 327 D CA 1.096 55.166 54.000 0.117 0.000 0.842 327 D CB -0.122 40.761 40.800 0.139 0.000 0.948 327 D HN 0.466 nan 8.370 nan 0.000 0.472 328 I N 1.013 121.646 120.570 0.104 0.000 2.657 328 I HA -0.229 3.941 4.170 -0.000 0.000 0.261 328 I C 1.585 177.749 176.117 0.077 0.000 1.212 328 I CA 1.295 62.651 61.300 0.094 0.000 1.453 328 I CB -0.004 38.049 38.000 0.088 0.000 1.092 328 I HN 0.043 nan 8.210 nan 0.000 0.452 329 T N -3.377 111.221 114.554 0.073 0.000 3.129 329 T HA 0.002 4.352 4.350 -0.000 0.000 0.251 329 T C 0.926 175.649 174.700 0.039 0.000 1.117 329 T CA 0.324 62.456 62.100 0.052 0.000 1.034 329 T CB -0.219 68.677 68.868 0.047 0.000 0.968 329 T HN 0.389 nan 8.240 nan 0.000 0.526 330 D N 0.699 121.132 120.400 0.055 0.000 2.708 330 D HA -0.149 4.491 4.640 -0.000 0.000 0.236 330 D C 0.715 177.030 176.300 0.026 0.000 1.146 330 D CA 0.409 54.439 54.000 0.051 0.000 0.662 330 D CB -0.537 40.292 40.800 0.048 0.000 1.059 330 D HN 0.430 nan 8.370 nan 0.000 0.428 331 R N -0.713 119.797 120.500 0.018 0.000 1.866 331 R HA 0.445 4.784 4.340 -0.000 0.000 0.115 331 R C 0.531 176.842 176.300 0.018 0.000 1.738 331 R CA -0.398 55.690 56.100 -0.021 0.000 1.723 331 R CB -0.469 29.778 30.300 -0.087 0.000 1.274 331 R HN 0.122 nan 8.270 nan 0.000 0.535 332 L N 3.161 124.407 121.223 0.039 0.000 2.315 332 L HA 0.284 4.624 4.340 -0.000 0.000 0.283 332 L C 0.419 177.338 176.870 0.082 0.000 1.089 332 L CA 0.140 55.017 54.840 0.062 0.000 0.833 332 L CB 0.428 42.539 42.059 0.087 0.000 1.170 332 L HN 0.257 nan 8.230 nan 0.000 0.442 333 M N 6.475 126.127 119.600 0.088 0.000 3.213 333 M HA 0.343 4.822 4.480 -0.000 0.000 0.275 333 M C -0.847 175.515 176.300 0.103 0.000 1.424 333 M CA 0.294 55.664 55.300 0.117 0.000 1.561 333 M CB -0.249 32.447 32.600 0.159 0.000 1.109 333 M HN 0.486 nan 8.290 nan 0.000 0.552 334 L N -0.251 121.021 121.223 0.080 0.000 2.409 334 L HA 0.420 4.760 4.340 -0.000 0.000 0.262 334 L C 1.152 178.062 176.870 0.066 0.000 0.992 334 L CA -0.537 54.336 54.840 0.056 0.000 0.817 334 L CB 2.291 44.362 42.059 0.021 0.000 1.350 334 L HN 0.272 nan 8.230 nan 0.000 0.411 335 T N 1.014 115.607 114.554 0.064 0.000 2.674 335 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 335 T C -1.149 173.574 174.700 0.040 0.000 1.039 335 T CA 1.785 63.921 62.100 0.060 0.000 1.150 335 T CB -0.464 68.441 68.868 0.062 0.000 0.864 335 T HN 0.456 nan 8.240 nan 0.000 0.427 336 P HA 0.071 nan 4.420 nan 0.000 0.226 336 P C 1.385 178.687 177.300 0.003 0.000 1.153 336 P CA 0.359 63.466 63.100 0.011 0.000 0.777 336 P CB -0.071 31.633 31.700 0.006 0.000 0.794 337 V N 0.297 120.219 119.914 0.013 0.000 2.323 337 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 337 V C 2.449 178.556 176.094 0.022 0.000 1.041 337 V CA 2.223 64.526 62.300 0.005 0.000 1.025 337 V CB -1.609 30.240 31.823 0.045 0.000 0.656 337 V HN 0.097 nan 8.190 nan 0.000 0.451 338 A N 0.008 122.857 122.820 0.049 0.000 1.908 338 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 338 A C 2.177 179.785 177.584 0.040 0.000 1.181 338 A CA 1.981 54.053 52.037 0.059 0.000 0.627 338 A CB -0.579 18.465 19.000 0.074 0.000 0.818 338 A HN 0.510 nan 8.150 nan 0.000 0.445 339 I N -0.048 120.538 120.570 0.027 0.000 2.179 339 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 339 I C 2.541 178.663 176.117 0.007 0.000 1.088 339 I CA 1.561 62.870 61.300 0.014 0.000 1.357 339 I CB -0.472 37.528 38.000 0.001 0.000 1.051 339 I HN 0.485 nan 8.210 nan 0.000 0.409 340 N N 1.030 119.725 118.700 -0.008 0.000 2.166 340 N HA -0.208 4.531 4.740 -0.000 0.000 0.186 340 N C 1.726 177.221 175.510 -0.026 0.000 1.019 340 N CA 1.507 54.541 53.050 -0.026 0.000 0.856 340 N CB 0.089 38.540 38.487 -0.060 0.000 0.993 340 N HN 0.456 nan 8.380 nan 0.000 0.426 341 E N -0.297 119.893 120.200 -0.016 0.000 2.072 341 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 341 E C 2.022 178.629 176.600 0.011 0.000 0.985 341 E CA 0.877 57.276 56.400 -0.001 0.000 0.801 341 E CB -0.352 29.374 29.700 0.043 0.000 0.750 341 E HN 0.427 nan 8.360 nan 0.000 0.452 342 G N 1.533 110.349 108.800 0.027 0.000 2.529 342 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 342 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 342 G C 1.706 176.624 174.900 0.031 0.000 1.177 342 G CA 1.260 46.381 45.100 0.035 0.000 0.773 342 G HN 0.370 nan 8.290 nan 0.000 0.573 343 A N 1.072 123.915 122.820 0.037 0.000 1.877 343 A HA 0.232 4.552 4.320 -0.000 0.000 0.216 343 A C 2.859 180.463 177.584 0.034 0.000 1.186 343 A CA 2.535 54.605 52.037 0.055 0.000 0.620 343 A CB -0.901 18.130 19.000 0.052 0.000 0.822 343 A HN 0.939 nan 8.150 nan 0.000 0.443 344 A N -0.481 122.343 122.820 0.008 0.000 1.902 344 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 344 A C 2.161 179.729 177.584 -0.028 0.000 1.181 344 A CA 1.750 53.787 52.037 0.000 0.000 0.623 344 A CB -0.678 18.313 19.000 -0.015 0.000 0.818 344 A HN 0.784 nan 8.150 nan 0.000 0.443 345 L N -0.112 121.073 121.223 -0.063 0.000 2.012 345 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 345 L C 2.330 179.038 176.870 -0.270 0.000 1.073 345 L CA 2.117 56.851 54.840 -0.177 0.000 0.748 345 L CB -0.483 41.457 42.059 -0.197 0.000 0.891 345 L HN 0.137 nan 8.230 nan 0.000 0.431 346 V N -0.163 119.656 119.914 -0.159 0.000 2.515 346 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 346 V C 2.136 178.085 176.094 -0.242 0.000 1.058 346 V CA 1.737 63.941 62.300 -0.160 0.000 1.064 346 V CB -0.795 31.075 31.823 0.079 0.000 0.675 346 V HN 0.465 nan 8.190 nan 0.000 0.461 347 D N -0.220 120.118 120.400 -0.103 0.000 2.178 347 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 347 D C 2.227 178.420 176.300 -0.179 0.000 0.980 347 D CA 1.611 55.555 54.000 -0.093 0.000 0.842 347 D CB -0.183 40.659 40.800 0.070 0.000 0.948 347 D HN 0.403 nan 8.370 nan 0.000 0.472 348 T N 0.074 114.519 114.554 -0.182 0.000 2.735 348 T HA -0.039 4.311 4.350 -0.000 0.000 0.256 348 T C 2.259 176.774 174.700 -0.308 0.000 1.042 348 T CA 0.630 62.617 62.100 -0.188 0.000 1.147 348 T CB -0.358 68.437 68.868 -0.121 0.000 0.865 348 T HN -0.080 nan 8.240 nan 0.000 0.421 349 V N 1.038 120.660 119.914 -0.486 0.000 2.216 349 V HA -0.095 4.025 4.120 -0.000 0.000 0.243 349 V C 1.986 177.718 176.094 -0.604 0.000 1.044 349 V CA 1.685 63.570 62.300 -0.692 0.000 0.995 349 V CB -0.660 30.416 31.823 -1.245 0.000 0.633 349 V HN 0.391 nan 8.190 nan 0.000 0.446 350 F N 0.877 120.546 119.950 -0.467 0.000 2.804 350 F HA 0.492 5.019 4.527 -0.000 0.000 0.303 350 F C 1.194 176.599 175.800 -0.657 0.000 1.154 350 F CA 0.309 58.008 58.000 -0.502 0.000 1.401 350 F CB -0.808 37.901 39.000 -0.486 0.000 1.106 350 F HN 0.335 nan 8.300 nan 0.000 0.568 351 G N 1.552 110.093 108.800 -0.432 0.000 2.784 351 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.686 351 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.686 351 G C -0.769 174.073 174.900 -0.097 0.000 1.156 351 G CA -0.696 44.285 45.100 -0.198 0.000 0.757 351 G HN 0.503 nan 8.290 nan 0.000 0.642 352 N N -0.805 117.902 118.700 0.010 0.000 2.666 352 N HA 0.461 5.201 4.740 -0.000 0.000 0.253 352 N C -0.859 174.646 175.510 -0.008 0.000 1.621 352 N CA -0.892 52.137 53.050 -0.035 0.000 0.785 352 N CB 0.920 39.395 38.487 -0.019 0.000 1.332 352 N HN 0.661 nan 8.380 nan 0.000 0.514 353 K N -0.366 120.035 120.400 0.001 0.000 2.507 353 K HA 0.536 4.856 4.320 -0.000 0.000 0.253 353 K C -2.945 173.661 176.600 0.009 0.000 0.969 353 K CA -1.732 54.564 56.287 0.015 0.000 0.908 353 K CB 1.548 34.073 32.500 0.042 0.000 1.127 353 K HN 0.081 nan 8.250 nan 0.000 0.437 354 P HA 0.048 nan 4.420 nan 0.000 0.265 354 P C -0.768 176.634 177.300 0.171 0.000 1.193 354 P CA -0.230 62.883 63.100 0.022 0.000 0.765 354 P CB 0.560 32.200 31.700 -0.100 0.000 0.823 355 R N 2.217 122.864 120.500 0.245 0.000 2.533 355 R HA 0.291 4.631 4.340 -0.000 0.000 0.288 355 R C -0.465 175.908 176.300 0.122 0.000 1.039 355 R CA -0.881 55.325 56.100 0.176 0.000 0.909 355 R CB 1.938 32.282 30.300 0.074 0.000 1.195 355 R HN 0.477 nan 8.270 nan 0.000 0.438 356 K N 1.338 121.692 120.400 -0.077 0.000 2.244 356 K HA 0.388 4.708 4.320 -0.000 0.000 0.260 356 K C -0.517 175.968 176.600 -0.193 0.000 0.951 356 K CA -0.767 55.334 56.287 -0.310 0.000 0.826 356 K CB 1.933 33.988 32.500 -0.740 0.000 1.108 356 K HN 0.182 nan 8.250 nan 0.000 0.433 357 T N 2.311 116.751 114.554 -0.190 0.000 2.934 357 T HA -0.070 4.280 4.350 -0.000 0.000 0.306 357 T C -0.334 174.172 174.700 -0.323 0.000 1.042 357 T CA 0.358 62.298 62.100 -0.268 0.000 1.145 357 T CB 0.292 68.935 68.868 -0.375 0.000 0.982 357 T HN 0.610 nan 8.240 nan 0.000 0.544 358 D N 0.882 121.119 120.400 -0.272 0.000 2.317 358 D HA 0.178 4.818 4.640 -0.000 0.000 0.234 358 D C 0.278 176.440 176.300 -0.230 0.000 1.112 358 D CA -0.471 53.427 54.000 -0.171 0.000 0.840 358 D CB 0.626 41.372 40.800 -0.091 0.000 1.078 358 D HN 0.559 nan 8.370 nan 0.000 0.486 359 H N 0.910 119.957 119.070 -0.038 0.000 2.551 359 H HA 0.170 4.726 4.556 -0.000 0.000 0.271 359 H C 0.470 175.785 175.328 -0.022 0.000 0.984 359 H CA 0.207 56.238 56.048 -0.029 0.000 1.164 359 H CB 0.429 30.173 29.762 -0.029 0.000 1.437 359 H HN 0.358 nan 8.280 nan 0.000 0.550 360 T N -1.270 113.323 114.554 0.066 0.000 2.922 360 T HA 0.291 4.641 4.350 -0.000 0.000 0.285 360 T C 0.537 175.246 174.700 0.015 0.000 1.005 360 T CA -0.951 61.173 62.100 0.041 0.000 1.061 360 T CB 1.307 70.198 68.868 0.038 0.000 1.007 360 T HN 0.411 nan 8.240 nan 0.000 0.502 361 R N -0.498 120.009 120.500 0.012 0.000 3.525 361 R HA -0.096 4.244 4.340 -0.000 0.000 0.276 361 R C -0.576 175.717 176.300 -0.011 0.000 1.116 361 R CA 0.323 56.423 56.100 -0.001 0.000 0.745 361 R CB -2.504 27.796 30.300 0.001 0.000 1.185 361 R HN 0.562 nan 8.270 nan 0.000 0.454 362 V N 1.244 121.152 119.914 -0.010 0.000 2.408 362 V HA 0.432 4.552 4.120 -0.000 0.000 0.267 362 V C 1.173 177.256 176.094 -0.019 0.000 1.047 362 V CA 0.097 62.387 62.300 -0.016 0.000 0.937 362 V CB 1.296 33.112 31.823 -0.010 0.000 0.999 362 V HN 0.411 nan 8.190 nan 0.000 0.472 363 A N 5.152 127.961 122.820 -0.018 0.000 2.407 363 A HA 0.711 5.031 4.320 -0.000 0.000 0.248 363 A C 0.515 178.090 177.584 -0.016 0.000 1.082 363 A CA 0.420 52.445 52.037 -0.019 0.000 0.785 363 A CB 0.429 19.420 19.000 -0.016 0.000 1.020 363 A HN 1.242 nan 8.150 nan 0.000 0.489 364 S N -0.337 115.355 115.700 -0.013 0.000 2.643 364 S HA 0.859 5.328 4.470 -0.000 0.000 0.270 364 S C -0.696 173.888 174.600 -0.027 0.000 1.166 364 S CA -0.134 58.056 58.200 -0.017 0.000 0.815 364 S CB 1.192 64.376 63.200 -0.026 0.000 1.139 364 S HN 2.388 nan 8.310 nan 0.000 0.472 365 A N 0.221 122.997 122.820 -0.073 0.000 2.539 365 A HA 0.808 5.128 4.320 -0.000 0.000 0.296 365 A C -1.431 176.025 177.584 -0.214 0.000 1.073 365 A CA -0.776 51.138 52.037 -0.205 0.000 0.700 365 A CB 1.772 20.530 19.000 -0.405 0.000 1.296 365 A HN 1.369 nan 8.150 nan 0.000 0.405 366 V N 1.273 121.003 119.914 -0.307 0.000 2.378 366 V HA 0.348 4.468 4.120 -0.000 0.000 0.288 366 V C -0.903 175.021 176.094 -0.282 0.000 1.016 366 V CA -0.041 62.127 62.300 -0.219 0.000 0.840 366 V CB 0.880 32.501 31.823 -0.337 0.000 0.994 366 V HN 0.753 nan 8.190 nan 0.000 0.431 367 F N 3.282 123.213 119.950 -0.031 0.000 2.833 367 F HA 0.204 4.731 4.527 -0.000 0.000 0.327 367 F C 1.543 177.303 175.800 -0.067 0.000 1.184 367 F CA -0.219 57.752 58.000 -0.049 0.000 1.328 367 F CB -0.020 38.955 39.000 -0.041 0.000 1.440 367 F HN 0.582 nan 8.300 nan 0.000 0.569 368 S N -0.247 115.453 115.700 0.001 0.000 2.617 368 S HA 0.503 4.973 4.470 -0.000 0.000 0.259 368 S C -0.209 174.375 174.600 -0.026 0.000 1.301 368 S CA -0.629 57.553 58.200 -0.030 0.000 0.984 368 S CB 1.341 64.487 63.200 -0.090 0.000 0.954 368 S HN 0.257 nan 8.310 nan 0.000 0.572 369 I N 2.240 122.792 120.570 -0.029 0.000 2.405 369 I HA 0.367 4.537 4.170 -0.000 0.000 0.280 369 I C -2.363 173.739 176.117 -0.024 0.000 1.027 369 I CA -2.084 59.198 61.300 -0.029 0.000 1.161 369 I CB 1.523 39.507 38.000 -0.027 0.000 1.300 369 I HN 0.497 nan 8.210 nan 0.000 0.463 370 P HA 0.438 nan 4.420 nan 0.000 0.278 370 P C -2.690 174.549 177.300 -0.101 0.000 1.266 370 P CA -1.759 61.303 63.100 -0.064 0.000 0.807 370 P CB 0.107 31.763 31.700 -0.072 0.000 1.094 371 P HA 0.386 nan 4.420 nan 0.000 0.280 371 P C -0.659 176.488 177.300 -0.256 0.000 1.272 371 P CA -0.301 62.669 63.100 -0.217 0.000 0.819 371 P CB 1.069 32.590 31.700 -0.297 0.000 1.122 372 I N -0.096 120.290 120.570 -0.307 0.000 2.493 372 I HA 0.571 4.740 4.170 -0.000 0.000 0.298 372 I C 0.656 176.627 176.117 -0.243 0.000 0.998 372 I CA -0.484 60.658 61.300 -0.262 0.000 1.137 372 I CB 1.939 39.761 38.000 -0.297 0.000 1.310 372 I HN 0.382 nan 8.210 nan 0.000 0.445 373 G N 2.488 111.196 108.800 -0.153 0.000 2.643 373 G HA2 0.603 4.563 3.960 -0.000 0.000 0.305 373 G HA3 0.603 4.563 3.960 -0.000 0.000 0.305 373 G C -1.193 173.690 174.900 -0.027 0.000 1.387 373 G CA -0.341 44.697 45.100 -0.103 0.000 0.982 373 G HN 0.483 nan 8.290 nan 0.000 0.501 374 T N -0.626 113.932 114.554 0.007 0.000 2.923 374 T HA 0.557 4.906 4.350 -0.000 0.000 0.311 374 T C -1.497 173.178 174.700 -0.041 0.000 1.183 374 T CA -0.500 61.612 62.100 0.021 0.000 1.020 374 T CB 1.575 70.590 68.868 0.245 0.000 1.165 374 T HN 1.070 nan 8.240 nan 0.000 0.482 375 C N 3.552 122.766 119.300 -0.144 0.000 2.642 375 C HA 0.870 5.330 4.460 -0.000 0.000 0.344 375 C C 0.849 175.756 174.990 -0.139 0.000 1.110 375 C CA 1.161 60.116 59.018 -0.105 0.000 1.298 375 C CB -0.084 27.610 27.740 -0.076 0.000 1.827 375 C HN 1.713 nan 8.230 nan 0.000 0.467 376 G N 4.636 113.408 108.800 -0.047 0.000 2.527 376 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.227 376 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.227 376 G C -0.878 174.062 174.900 0.066 0.000 1.291 376 G CA -0.226 44.868 45.100 -0.010 0.000 0.904 376 G HN 1.070 nan 8.290 nan 0.000 0.577 377 L N 1.404 122.678 121.223 0.085 0.000 2.331 377 L HA 0.476 4.815 4.340 -0.000 0.000 0.278 377 L C 1.469 178.464 176.870 0.208 0.000 1.106 377 L CA -0.604 54.306 54.840 0.116 0.000 0.824 377 L CB 0.803 42.919 42.059 0.094 0.000 1.142 377 L HN 0.667 nan 8.230 nan 0.000 0.443 378 I N -0.253 120.354 120.570 0.062 0.000 2.882 378 I HA 0.054 4.224 4.170 -0.000 0.000 0.286 378 I C 1.465 177.540 176.117 -0.070 0.000 1.139 378 I CA -0.446 60.781 61.300 -0.121 0.000 1.379 378 I CB 0.596 38.460 38.000 -0.228 0.000 1.410 378 I HN 0.806 nan 8.210 nan 0.000 0.594 379 E N 3.331 123.470 120.200 -0.101 0.000 2.118 379 E HA -0.271 4.078 4.350 -0.000 0.000 0.195 379 E C 1.309 177.677 176.600 -0.388 0.000 0.992 379 E CA 1.625 57.916 56.400 -0.182 0.000 0.804 379 E CB -0.397 29.244 29.700 -0.099 0.000 0.741 379 E HN 0.869 nan 8.360 nan 0.000 0.458 380 E N 1.530 121.552 120.200 -0.296 0.000 2.274 380 E HA -0.096 4.253 4.350 -0.000 0.000 0.194 380 E C 2.216 178.730 176.600 -0.143 0.000 0.996 380 E CA 0.969 57.213 56.400 -0.260 0.000 0.840 380 E CB -0.267 29.365 29.700 -0.113 0.000 0.772 380 E HN 0.299 nan 8.360 nan 0.000 0.491 381 V N 1.665 121.524 119.914 -0.093 0.000 2.535 381 V HA -0.040 4.080 4.120 -0.000 0.000 0.246 381 V C 2.629 178.729 176.094 0.010 0.000 1.045 381 V CA 1.309 63.587 62.300 -0.035 0.000 1.058 381 V CB -0.492 31.319 31.823 -0.020 0.000 0.689 381 V HN 0.380 nan 8.190 nan 0.000 0.461 382 A N 0.523 123.358 122.820 0.025 0.000 1.908 382 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 382 A C 2.345 180.025 177.584 0.160 0.000 1.181 382 A CA 2.015 54.147 52.037 0.159 0.000 0.627 382 A CB -0.757 18.293 19.000 0.083 0.000 0.818 382 A HN 0.573 nan 8.150 nan 0.000 0.445 383 A N -0.761 122.036 122.820 -0.038 0.000 2.172 383 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 383 A C 1.926 179.535 177.584 0.041 0.000 1.154 383 A CA 1.512 53.536 52.037 -0.021 0.000 0.701 383 A CB -0.313 18.530 19.000 -0.260 0.000 0.789 383 A HN 0.562 nan 8.150 nan 0.000 0.465 384 K N -0.632 119.776 120.400 0.013 0.000 2.379 384 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 384 K C 0.865 177.437 176.600 -0.047 0.000 1.031 384 K CA 0.602 56.887 56.287 -0.004 0.000 1.037 384 K CB 0.276 32.766 32.500 -0.016 0.000 0.824 384 K HN 0.537 nan 8.250 nan 0.000 0.516 385 E N -0.252 119.902 120.200 -0.077 0.000 2.413 385 E HA 0.110 4.460 4.350 -0.000 0.000 0.203 385 E C -0.196 176.049 176.600 -0.592 0.000 0.957 385 E CA 0.372 56.563 56.400 -0.347 0.000 0.950 385 E CB 0.514 29.934 29.700 -0.468 0.000 0.957 385 E HN 0.045 nan 8.360 nan 0.000 0.497 386 F N 0.543 120.513 119.950 0.034 0.000 2.565 386 F HA 0.235 4.762 4.527 -0.000 0.000 0.313 386 F C 1.426 177.268 175.800 0.071 0.000 1.091 386 F CA -0.924 57.108 58.000 0.053 0.000 0.915 386 F CB 2.035 41.074 39.000 0.064 0.000 1.208 386 F HN -0.245 nan 8.300 nan 0.000 0.453 387 E N 1.522 121.869 120.200 0.245 0.000 2.072 387 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 387 E C -0.304 176.422 176.600 0.209 0.000 0.985 387 E CA 1.208 57.715 56.400 0.179 0.000 0.801 387 E CB 0.295 30.074 29.700 0.132 0.000 0.750 387 E HN 0.497 nan 8.360 nan 0.000 0.452 388 K N 0.874 121.422 120.400 0.246 0.000 2.483 388 K HA 0.379 4.698 4.320 -0.000 0.000 0.256 388 K C -1.524 175.248 176.600 0.287 0.000 0.961 388 K CA -0.527 55.916 56.287 0.259 0.000 0.873 388 K CB 2.723 35.374 32.500 0.252 0.000 1.107 388 K HN -0.131 nan 8.250 nan 0.000 0.432 389 V N 2.208 122.299 119.914 0.295 0.000 2.459 389 V HA 0.574 4.694 4.120 -0.000 0.000 0.295 389 V C -0.289 175.934 176.094 0.215 0.000 1.029 389 V CA -0.808 61.634 62.300 0.236 0.000 0.874 389 V CB 1.602 33.548 31.823 0.205 0.000 0.985 389 V HN 0.888 nan 8.190 nan 0.000 0.438 390 A N 4.607 127.487 122.820 0.101 0.000 2.312 390 A HA 0.865 5.185 4.320 -0.000 0.000 0.328 390 A C -0.788 176.675 177.584 -0.201 0.000 1.158 390 A CA -0.527 51.382 52.037 -0.215 0.000 0.821 390 A CB 1.474 20.327 19.000 -0.244 0.000 1.170 390 A HN 0.673 nan 8.150 nan 0.000 0.490 391 V N 2.551 122.145 119.914 -0.533 0.000 2.444 391 V HA 0.334 4.454 4.120 -0.000 0.000 0.294 391 V C -1.347 174.385 176.094 -0.605 0.000 1.022 391 V CA -0.282 61.739 62.300 -0.465 0.000 0.850 391 V CB 0.807 32.214 31.823 -0.694 0.000 0.992 391 V HN 0.788 nan 8.190 nan 0.000 0.426 392 Y N 4.829 124.968 120.300 -0.268 0.000 2.341 392 Y HA 0.731 5.281 4.550 -0.000 0.000 0.337 392 Y C 0.183 176.009 175.900 -0.122 0.000 1.014 392 Y CA -0.540 57.450 58.100 -0.184 0.000 1.111 392 Y CB 1.918 40.317 38.460 -0.101 0.000 1.194 392 Y HN 0.588 nan 8.280 nan 0.000 0.462 393 M N 3.269 122.894 119.600 0.041 0.000 2.326 393 M HA 0.508 4.988 4.480 -0.000 0.000 0.292 393 M C -1.537 174.835 176.300 0.120 0.000 1.081 393 M CA -0.356 54.986 55.300 0.069 0.000 0.919 393 M CB 1.680 34.306 32.600 0.044 0.000 1.634 393 M HN 0.557 nan 8.290 nan 0.000 0.451 394 S N 2.908 118.708 115.700 0.168 0.000 2.561 394 S HA 0.766 5.236 4.470 -0.000 0.000 0.303 394 S C -1.528 173.239 174.600 0.278 0.000 1.110 394 S CA -0.393 57.960 58.200 0.254 0.000 1.034 394 S CB 1.694 65.083 63.200 0.315 0.000 1.010 394 S HN 0.758 nan 8.310 nan 0.000 0.482 395 S N 4.143 120.039 115.700 0.327 0.000 2.572 395 S HA 0.881 5.351 4.470 -0.000 0.000 0.274 395 S C -1.472 173.342 174.600 0.357 0.000 1.150 395 S CA -0.629 57.703 58.200 0.220 0.000 0.944 395 S CB 0.411 63.690 63.200 0.133 0.000 1.071 395 S HN 1.165 nan 8.310 nan 0.000 0.479 396 F N -0.326 119.700 119.950 0.126 0.000 2.804 396 F HA 0.393 4.920 4.527 -0.000 0.000 0.320 396 F C -0.879 174.997 175.800 0.127 0.000 1.135 396 F CA -0.989 57.074 58.000 0.104 0.000 0.947 396 F CB 0.263 39.316 39.000 0.088 0.000 1.260 396 F HN 0.273 nan 8.300 nan 0.000 0.447 397 T N 3.925 118.571 114.554 0.152 0.000 2.799 397 T HA 0.411 4.760 4.350 -0.000 0.000 0.296 397 T C -2.459 172.381 174.700 0.233 0.000 0.947 397 T CA -0.547 61.614 62.100 0.101 0.000 1.141 397 T CB 0.395 69.333 68.868 0.117 0.000 0.891 397 T HN 0.379 nan 8.240 nan 0.000 0.533 398 P HA 0.142 nan 4.420 nan 0.000 0.272 398 P C 0.942 178.358 177.300 0.193 0.000 1.230 398 P CA -0.704 62.537 63.100 0.235 0.000 0.788 398 P CB 0.529 32.278 31.700 0.081 0.000 0.949 399 L N 2.813 124.139 121.223 0.172 0.000 2.083 399 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 399 L C 2.161 179.080 176.870 0.082 0.000 1.083 399 L CA 1.984 56.891 54.840 0.113 0.000 0.752 399 L CB -1.451 40.661 42.059 0.089 0.000 0.899 399 L HN 0.457 nan 8.230 nan 0.000 0.433 400 M N -1.935 117.701 119.600 0.060 0.000 2.144 400 M HA -0.223 4.257 4.480 -0.000 0.000 0.260 400 M C 1.780 178.084 176.300 0.006 0.000 1.067 400 M CA 2.014 57.365 55.300 0.086 0.000 1.095 400 M CB -0.953 31.644 32.600 -0.004 0.000 1.365 400 M HN 0.208 nan 8.290 nan 0.000 0.406 401 H N 0.562 119.697 119.070 0.108 0.000 2.548 401 H HA 0.149 4.705 4.556 -0.000 0.000 0.268 401 H C 1.325 176.659 175.328 0.010 0.000 0.975 401 H CA 0.735 56.808 56.048 0.041 0.000 1.195 401 H CB -0.378 29.358 29.762 -0.044 0.000 1.397 401 H HN 0.573 nan 8.280 nan 0.000 0.572 402 N N 0.754 119.523 118.700 0.116 0.000 2.188 402 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 402 N C 1.997 177.511 175.510 0.006 0.000 1.018 402 N CA 0.608 53.694 53.050 0.059 0.000 0.858 402 N CB 0.086 38.604 38.487 0.051 0.000 0.989 402 N HN 0.381 nan 8.380 nan 0.000 0.426 403 I N 0.642 121.186 120.570 -0.044 0.000 2.406 403 I HA -0.155 4.015 4.170 -0.000 0.000 0.249 403 I C 2.203 178.208 176.117 -0.185 0.000 1.122 403 I CA 0.729 61.900 61.300 -0.215 0.000 1.431 403 I CB -0.186 37.525 38.000 -0.482 0.000 1.087 403 I HN 0.108 nan 8.210 nan 0.000 0.424 404 S N 0.254 115.966 115.700 0.020 0.000 2.481 404 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 404 S C 1.783 176.469 174.600 0.143 0.000 0.996 404 S CA 0.832 59.150 58.200 0.196 0.000 0.942 404 S CB 0.119 63.570 63.200 0.418 0.000 0.768 404 S HN 0.620 nan 8.310 nan 0.000 0.520 405 G N 0.332 109.188 108.800 0.094 0.000 2.232 405 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 405 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 405 G C 0.363 175.303 174.900 0.066 0.000 0.996 405 G CA 0.054 45.200 45.100 0.077 0.000 0.626 405 G HN 0.684 nan 8.290 nan 0.000 0.509 406 S N 1.829 117.534 115.700 0.008 0.000 4.139 406 S HA 0.294 4.763 4.470 -0.000 0.000 0.215 406 S C 1.503 175.842 174.600 -0.436 0.000 1.390 406 S CA 0.136 58.148 58.200 -0.314 0.000 0.885 406 S CB 0.613 63.452 63.200 -0.601 0.000 1.560 406 S HN 0.533 nan 8.310 nan 0.000 0.449 407 K N 0.853 121.177 120.400 -0.127 0.000 2.283 407 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 407 K C 1.490 178.054 176.600 -0.060 0.000 1.048 407 K CA 1.118 57.381 56.287 -0.040 0.000 0.948 407 K CB -0.270 32.263 32.500 0.055 0.000 0.742 407 K HN 0.809 nan 8.250 nan 0.000 0.458 408 Y N 0.947 121.237 120.300 -0.016 0.000 2.497 408 Y HA 0.033 4.583 4.550 -0.000 0.000 0.292 408 Y C 0.340 176.202 175.900 -0.063 0.000 1.137 408 Y CA 0.125 58.206 58.100 -0.032 0.000 1.285 408 Y CB -0.574 37.862 38.460 -0.040 0.000 0.991 408 Y HN -0.244 nan 8.280 nan 0.000 0.556 409 K N 2.628 122.676 120.400 -0.587 0.000 2.199 409 K HA 0.058 4.378 4.320 -0.000 0.000 0.226 409 K C -0.460 176.045 176.600 -0.160 0.000 1.237 409 K CA 0.211 56.247 56.287 -0.418 0.000 1.170 409 K CB -0.131 31.903 32.500 -0.778 0.000 1.418 409 K HN 0.267 nan 8.250 nan 0.000 0.255 410 K N 1.719 122.072 120.400 -0.078 0.000 2.339 410 K HA 0.078 4.398 4.320 -0.000 0.000 0.286 410 K C -0.387 176.148 176.600 -0.108 0.000 1.050 410 K CA -0.304 55.945 56.287 -0.064 0.000 0.956 410 K CB 0.344 32.834 32.500 -0.018 0.000 0.990 410 K HN 0.205 nan 8.250 nan 0.000 0.475 411 F N 4.112 123.877 119.950 -0.309 0.000 2.427 411 F HA 0.211 4.738 4.527 -0.000 0.000 0.352 411 F C -0.442 175.209 175.800 -0.249 0.000 1.100 411 F CA -0.410 57.410 58.000 -0.301 0.000 1.191 411 F CB 0.680 39.417 39.000 -0.437 0.000 1.128 411 F HN 0.100 nan 8.300 nan 0.000 0.533 412 V N 5.831 125.390 119.914 -0.591 0.000 2.448 412 V HA 0.730 4.850 4.120 -0.000 0.000 0.295 412 V C -0.346 175.609 176.094 -0.231 0.000 1.025 412 V CA -0.773 61.377 62.300 -0.251 0.000 0.859 412 V CB 1.160 32.878 31.823 -0.176 0.000 0.988 412 V HN 0.947 nan 8.190 nan 0.000 0.431 413 A N 5.220 128.080 122.820 0.065 0.000 2.319 413 A HA 0.843 5.163 4.320 -0.000 0.000 0.310 413 A C -0.484 177.158 177.584 0.096 0.000 1.152 413 A CA -0.718 51.392 52.037 0.123 0.000 0.783 413 A CB 0.983 20.145 19.000 0.271 0.000 1.184 413 A HN 0.785 nan 8.150 nan 0.000 0.474 414 K N 2.513 122.955 120.400 0.070 0.000 2.443 414 K HA 0.621 4.941 4.320 -0.000 0.000 0.252 414 K C -1.328 175.292 176.600 0.033 0.000 0.933 414 K CA -0.282 56.053 56.287 0.079 0.000 0.792 414 K CB 2.312 34.882 32.500 0.117 0.000 1.185 414 K HN 0.677 nan 8.250 nan 0.000 0.425 415 I N 2.629 123.209 120.570 0.016 0.000 2.441 415 I HA 0.377 4.547 4.170 -0.000 0.000 0.295 415 I C -0.483 175.667 176.117 0.055 0.000 0.994 415 I CA -1.332 59.928 61.300 -0.067 0.000 1.144 415 I CB 1.902 39.751 38.000 -0.250 0.000 1.314 415 I HN 0.166 nan 8.210 nan 0.000 0.445 416 V N 4.321 124.242 119.914 0.012 0.000 2.409 416 V HA 0.471 4.591 4.120 -0.000 0.000 0.291 416 V C 0.157 176.253 176.094 0.004 0.000 1.020 416 V CA -0.406 61.920 62.300 0.044 0.000 0.848 416 V CB 1.834 33.697 31.823 0.066 0.000 0.990 416 V HN 0.917 nan 8.190 nan 0.000 0.430 417 T N 0.594 115.181 114.554 0.054 0.000 2.924 417 T HA 0.442 4.792 4.350 -0.000 0.000 0.291 417 T C -0.260 174.412 174.700 -0.046 0.000 1.045 417 T CA -0.841 61.268 62.100 0.015 0.000 1.015 417 T CB 1.708 70.661 68.868 0.140 0.000 1.103 417 T HN 0.425 nan 8.240 nan 0.000 0.496 418 N N 0.622 119.206 118.700 -0.194 0.000 2.402 418 N HA 0.056 4.796 4.740 -0.000 0.000 0.259 418 N C 0.691 176.219 175.510 0.029 0.000 1.167 418 N CA 0.017 52.928 53.050 -0.231 0.000 0.949 418 N CB 0.060 38.276 38.487 -0.451 0.000 1.212 418 N HN 0.833 nan 8.380 nan 0.000 0.493 419 H N 1.942 121.041 119.070 0.048 0.000 2.518 419 H HA 0.014 4.569 4.556 -0.000 0.000 0.289 419 H C 1.342 176.728 175.328 0.097 0.000 1.051 419 H CA 1.521 57.644 56.048 0.124 0.000 1.280 419 H CB 0.494 30.382 29.762 0.210 0.000 1.380 419 H HN 0.490 nan 8.280 nan 0.000 0.566 420 S N -0.181 115.555 115.700 0.060 0.000 2.368 420 S HA -0.129 4.340 4.470 -0.000 0.000 0.225 420 S C 1.209 175.788 174.600 -0.035 0.000 1.030 420 S CA 1.503 59.710 58.200 0.011 0.000 0.999 420 S CB -0.015 63.229 63.200 0.073 0.000 0.844 420 S HN 0.822 nan 8.310 nan 0.000 0.459 421 D N -1.432 118.952 120.400 -0.027 0.000 2.503 421 D HA 0.284 4.924 4.640 -0.000 0.000 0.218 421 D C 0.997 177.275 176.300 -0.037 0.000 1.183 421 D CA 0.510 54.492 54.000 -0.029 0.000 0.827 421 D CB -0.452 40.345 40.800 -0.006 0.000 1.034 421 D HN 0.316 nan 8.370 nan 0.000 0.510 422 G N 0.437 109.216 108.800 -0.036 0.000 2.166 422 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 422 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 422 G C 0.423 175.306 174.900 -0.027 0.000 0.986 422 G CA 0.645 45.742 45.100 -0.005 0.000 0.683 422 G HN 0.443 nan 8.290 nan 0.000 0.527 423 T N 0.786 115.308 114.554 -0.053 0.000 2.902 423 T HA 0.360 4.709 4.350 -0.000 0.000 0.301 423 T C 0.905 175.553 174.700 -0.087 0.000 1.012 423 T CA -0.001 62.059 62.100 -0.066 0.000 1.151 423 T CB 1.829 70.648 68.868 -0.083 0.000 0.946 423 T HN 0.403 nan 8.240 nan 0.000 0.542 424 V N 5.880 125.756 119.914 -0.062 0.000 2.470 424 V HA 0.103 4.223 4.120 -0.000 0.000 0.276 424 V C 1.198 177.236 176.094 -0.093 0.000 1.040 424 V CA 0.194 62.436 62.300 -0.097 0.000 1.008 424 V CB 0.553 32.309 31.823 -0.112 0.000 0.990 424 V HN 0.825 nan 8.190 nan 0.000 0.477 425 L N 3.954 125.109 121.223 -0.112 0.000 2.515 425 L HA 0.492 4.831 4.340 -0.000 0.000 0.223 425 L C 1.005 177.843 176.870 -0.054 0.000 1.079 425 L CA 0.608 55.395 54.840 -0.088 0.000 0.857 425 L CB 0.377 42.360 42.059 -0.126 0.000 1.050 425 L HN 0.787 nan 8.230 nan 0.000 0.476 426 G N -0.346 108.400 108.800 -0.090 0.000 2.732 426 G HA2 0.539 4.498 3.960 -0.000 0.000 0.296 426 G HA3 0.539 4.498 3.960 -0.000 0.000 0.296 426 G C -1.892 172.806 174.900 -0.338 0.000 1.448 426 G CA -0.284 44.721 45.100 -0.158 0.000 0.911 426 G HN -0.281 nan 8.290 nan 0.000 0.528 427 V N 2.709 122.273 119.914 -0.585 0.000 2.638 427 V HA 0.593 4.712 4.120 -0.000 0.000 0.306 427 V C -1.047 174.563 176.094 -0.807 0.000 1.052 427 V CA -0.924 61.051 62.300 -0.541 0.000 0.885 427 V CB 1.846 33.472 31.823 -0.327 0.000 0.999 427 V HN 0.806 nan 8.190 nan 0.000 0.424 428 H N 5.376 124.420 119.070 -0.043 0.000 2.609 428 H HA 0.679 5.235 4.556 -0.000 0.000 0.344 428 H C -1.155 174.137 175.328 -0.061 0.000 1.040 428 H CA -0.520 55.509 56.048 -0.031 0.000 1.216 428 H CB 2.321 32.078 29.762 -0.009 0.000 1.529 428 H HN 0.430 nan 8.280 nan 0.000 0.519 429 L N 3.588 124.803 121.223 -0.013 0.000 2.386 429 L HA 0.424 4.764 4.340 -0.000 0.000 0.271 429 L C -0.859 175.855 176.870 -0.260 0.000 0.993 429 L CA -0.938 53.808 54.840 -0.156 0.000 0.819 429 L CB 2.573 44.575 42.059 -0.095 0.000 1.294 429 L HN 0.241 nan 8.230 nan 0.000 0.414 430 L N 2.244 123.177 121.223 -0.483 0.000 2.385 430 L HA 1.031 5.371 4.340 -0.000 0.000 0.273 430 L C -0.205 176.176 176.870 -0.815 0.000 0.990 430 L CA 0.266 54.818 54.840 -0.480 0.000 0.821 430 L CB 1.941 43.806 42.059 -0.324 0.000 1.279 430 L HN 0.734 nan 8.230 nan 0.000 0.412 431 G N 2.540 111.066 108.800 -0.457 0.000 2.326 431 G HA2 0.076 4.036 3.960 -0.000 0.000 0.413 431 G HA3 0.076 4.036 3.960 -0.000 0.000 0.413 431 G C -1.798 173.147 174.900 0.076 0.000 1.444 431 G CA -0.937 44.048 45.100 -0.191 0.000 1.002 431 G HN 0.641 nan 8.290 nan 0.000 0.649 432 D N 0.186 120.697 120.400 0.184 0.000 2.583 432 D HA 0.388 5.028 4.640 -0.000 0.000 0.232 432 D C 1.589 177.991 176.300 0.170 0.000 1.128 432 D CA 2.224 56.312 54.000 0.148 0.000 0.859 432 D CB 0.799 41.692 40.800 0.156 0.000 1.169 432 D HN 1.950 nan 8.370 nan 0.000 0.481 433 G N 1.757 110.616 108.800 0.100 0.000 2.205 433 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.261 433 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.261 433 G C 1.277 176.225 174.900 0.081 0.000 0.980 433 G CA 0.965 46.118 45.100 0.088 0.000 0.632 433 G HN 0.739 nan 8.290 nan 0.000 0.533 434 A N 1.323 124.184 122.820 0.068 0.000 1.903 434 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 434 A C 0.655 178.207 177.584 -0.054 0.000 1.191 434 A CA 2.719 54.760 52.037 0.007 0.000 0.638 434 A CB -1.243 17.690 19.000 -0.112 0.000 0.823 434 A HN 0.487 nan 8.150 nan 0.000 0.451 435 P HA -0.117 nan 4.420 nan 0.000 0.218 435 P C 1.213 178.499 177.300 -0.024 0.000 1.149 435 P CA 1.144 64.157 63.100 -0.144 0.000 0.817 435 P CB -0.016 31.505 31.700 -0.298 0.000 0.785 436 E N -0.387 119.823 120.200 0.016 0.000 2.072 436 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 436 E C 2.133 178.754 176.600 0.035 0.000 0.982 436 E CA 0.913 57.336 56.400 0.039 0.000 0.803 436 E CB -0.777 28.953 29.700 0.049 0.000 0.755 436 E HN 0.327 nan 8.360 nan 0.000 0.453 437 I N 0.709 121.306 120.570 0.045 0.000 2.335 437 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 437 I C 2.405 178.552 176.117 0.049 0.000 1.129 437 I CA 0.668 62.004 61.300 0.059 0.000 1.402 437 I CB -0.118 37.942 38.000 0.100 0.000 1.069 437 I HN 0.022 nan 8.210 nan 0.000 0.424 438 I N 0.344 120.931 120.570 0.027 0.000 2.876 438 I HA -0.218 3.952 4.170 -0.000 0.000 0.264 438 I C 2.383 178.510 176.117 0.017 0.000 1.204 438 I CA 1.002 62.311 61.300 0.015 0.000 1.485 438 I CB -0.156 37.834 38.000 -0.017 0.000 1.103 438 I HN 0.146 nan 8.210 nan 0.000 0.446 439 Q N 1.301 121.111 119.800 0.016 0.000 2.045 439 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 439 Q C 2.152 178.161 176.000 0.016 0.000 0.991 439 Q CA 2.630 58.441 55.803 0.013 0.000 0.851 439 Q CB -0.566 28.181 28.738 0.015 0.000 0.911 439 Q HN 0.543 nan 8.270 nan 0.000 0.418 440 A N -0.857 121.975 122.820 0.021 0.000 2.121 440 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 440 A C 2.129 179.734 177.584 0.034 0.000 1.154 440 A CA 1.172 53.218 52.037 0.015 0.000 0.679 440 A CB -0.329 18.674 19.000 0.006 0.000 0.795 440 A HN 0.277 nan 8.150 nan 0.000 0.458 441 V N -0.309 119.643 119.914 0.064 0.000 2.453 441 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 441 V C 2.821 178.958 176.094 0.072 0.000 1.048 441 V CA 1.551 63.924 62.300 0.122 0.000 1.049 441 V CB -1.341 30.552 31.823 0.116 0.000 0.672 441 V HN 0.571 nan 8.190 nan 0.000 0.457 442 G N 0.588 109.405 108.800 0.028 0.000 2.513 442 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 442 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 442 G C 1.646 176.552 174.900 0.010 0.000 1.160 442 G CA 1.628 46.734 45.100 0.010 0.000 0.767 442 G HN 0.404 nan 8.290 nan 0.000 0.571 443 V N 0.492 120.410 119.914 0.006 0.000 2.343 443 V HA -0.228 3.891 4.120 -0.000 0.000 0.247 443 V C 3.080 179.169 176.094 -0.008 0.000 1.051 443 V CA 1.748 64.044 62.300 -0.006 0.000 1.036 443 V CB -0.941 30.871 31.823 -0.017 0.000 0.654 443 V HN 0.533 nan 8.190 nan 0.000 0.451 444 C N -0.124 119.178 119.300 0.003 0.000 2.401 444 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 444 C C 2.545 177.558 174.990 0.040 0.000 1.233 444 C CA 0.794 59.811 59.018 -0.001 0.000 1.753 444 C CB -1.239 26.524 27.740 0.037 0.000 2.029 444 C HN 0.480 nan 8.230 nan 0.000 0.478 445 L N 0.607 121.865 121.223 0.058 0.000 2.376 445 L HA -0.017 4.323 4.340 -0.000 0.000 0.219 445 L C 2.431 179.310 176.870 0.016 0.000 1.133 445 L CA 1.541 56.405 54.840 0.040 0.000 0.816 445 L CB -0.709 41.365 42.059 0.025 0.000 0.933 445 L HN 0.336 nan 8.230 nan 0.000 0.449 446 R N -0.882 119.621 120.500 0.006 0.000 2.310 446 R HA 0.161 4.501 4.340 -0.000 0.000 0.202 446 R C 0.750 177.046 176.300 -0.007 0.000 0.933 446 R CA 0.280 56.379 56.100 -0.002 0.000 1.054 446 R CB 0.053 30.348 30.300 -0.008 0.000 0.985 446 R HN 0.302 nan 8.270 nan 0.000 0.489 447 L N 0.699 121.916 121.223 -0.010 0.000 3.066 447 L HA 0.180 4.519 4.340 -0.000 0.000 0.265 447 L C -0.056 176.803 176.870 -0.019 0.000 1.232 447 L CA -0.402 54.425 54.840 -0.022 0.000 1.031 447 L CB -0.007 42.028 42.059 -0.041 0.000 1.379 447 L HN 0.111 nan 8.230 nan 0.000 0.563 448 N N 1.715 120.413 118.700 -0.004 0.000 2.714 448 N HA -0.218 4.522 4.740 -0.000 0.000 0.253 448 N C -0.035 175.474 175.510 -0.002 0.000 1.024 448 N CA 0.703 53.753 53.050 -0.000 0.000 0.726 448 N CB -0.452 38.033 38.487 -0.003 0.000 0.908 448 N HN 0.435 nan 8.380 nan 0.000 0.542 449 A N 0.932 123.764 122.820 0.020 0.000 2.425 449 A HA 0.485 4.805 4.320 -0.000 0.000 0.249 449 A C 0.508 178.130 177.584 0.064 0.000 1.084 449 A CA 0.131 52.191 52.037 0.038 0.000 0.781 449 A CB 0.471 19.536 19.000 0.109 0.000 1.019 449 A HN 0.512 nan 8.150 nan 0.000 0.490 450 K N 1.168 121.584 120.400 0.027 0.000 2.185 450 K HA 0.406 4.726 4.320 -0.000 0.000 0.240 450 K C 0.990 177.589 176.600 -0.001 0.000 0.983 450 K CA -0.745 55.536 56.287 -0.010 0.000 0.873 450 K CB 1.556 34.019 32.500 -0.062 0.000 1.118 450 K HN 0.565 nan 8.250 nan 0.000 0.441 451 I N 1.495 122.006 120.570 -0.098 0.000 2.194 451 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 451 I C 1.836 177.689 176.117 -0.439 0.000 1.093 451 I CA 2.073 63.245 61.300 -0.214 0.000 1.355 451 I CB -0.125 37.682 38.000 -0.321 0.000 1.046 451 I HN 0.767 nan 8.210 nan 0.000 0.413 452 S N -0.480 114.825 115.700 -0.659 0.000 2.419 452 S HA -0.176 4.293 4.470 -0.000 0.000 0.233 452 S C 1.730 175.974 174.600 -0.594 0.000 1.016 452 S CA 1.202 58.694 58.200 -1.179 0.000 0.974 452 S CB -0.743 62.068 63.200 -0.648 0.000 0.786 452 S HN 0.523 nan 8.310 nan 0.000 0.492 453 D N 0.810 121.033 120.400 -0.295 0.000 2.178 453 D HA 0.013 4.653 4.640 -0.000 0.000 0.202 453 D C 1.427 177.583 176.300 -0.240 0.000 0.974 453 D CA 0.904 54.768 54.000 -0.227 0.000 0.841 453 D CB -0.328 40.353 40.800 -0.199 0.000 0.953 453 D HN 0.454 nan 8.370 nan 0.000 0.478 454 F N 0.667 120.484 119.950 -0.221 0.000 2.128 454 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 454 F C 2.405 178.174 175.800 -0.052 0.000 1.100 454 F CA 0.827 58.752 58.000 -0.125 0.000 1.260 454 F CB -0.609 38.318 39.000 -0.122 0.000 1.009 454 F HN 0.014 nan 8.300 nan 0.000 0.476 455 Y N -0.523 119.846 120.300 0.115 0.000 2.293 455 Y HA -0.049 4.501 4.550 -0.000 0.000 0.291 455 Y C 1.629 177.540 175.900 0.018 0.000 1.137 455 Y CA 0.815 58.943 58.100 0.047 0.000 1.202 455 Y CB -1.693 36.779 38.460 0.019 0.000 0.990 455 Y HN -0.040 nan 8.280 nan 0.000 0.537 456 N N 0.091 118.836 118.700 0.075 0.000 2.494 456 N HA -0.031 4.709 4.740 -0.000 0.000 0.182 456 N C 0.024 175.545 175.510 0.017 0.000 1.076 456 N CA 0.910 54.001 53.050 0.067 0.000 0.908 456 N CB -0.342 38.143 38.487 -0.004 0.000 0.967 456 N HN 0.320 nan 8.380 nan 0.000 0.449 457 T N 1.616 116.163 114.554 -0.012 0.000 2.919 457 T HA 0.263 4.613 4.350 -0.000 0.000 0.302 457 T C 0.889 175.592 174.700 0.006 0.000 1.031 457 T CA -0.270 61.810 62.100 -0.034 0.000 1.127 457 T CB 1.103 69.914 68.868 -0.095 0.000 0.952 457 T HN -0.030 nan 8.240 nan 0.000 0.540 458 I N 2.563 123.131 120.570 -0.003 0.000 2.496 458 I HA 0.267 4.437 4.170 -0.000 0.000 0.285 458 I C 1.422 177.548 176.117 0.016 0.000 1.080 458 I CA -0.304 61.002 61.300 0.009 0.000 1.404 458 I CB 0.547 38.548 38.000 0.002 0.000 1.403 458 I HN 0.659 nan 8.210 nan 0.000 0.539 459 G N 5.505 114.322 108.800 0.029 0.000 2.594 459 G HA2 0.375 4.335 3.960 -0.000 0.000 0.243 459 G HA3 0.375 4.335 3.960 -0.000 0.000 0.243 459 G C -0.377 174.555 174.900 0.053 0.000 1.229 459 G CA -0.377 44.751 45.100 0.046 0.000 0.843 459 G HN 0.395 nan 8.290 nan 0.000 0.578 460 V N 1.547 121.498 119.914 0.062 0.000 2.394 460 V HA 0.395 4.515 4.120 -0.000 0.000 0.282 460 V C -0.320 175.837 176.094 0.105 0.000 1.031 460 V CA -0.572 61.766 62.300 0.062 0.000 0.881 460 V CB 1.178 33.019 31.823 0.030 0.000 0.982 460 V HN 0.906 nan 8.190 nan 0.000 0.451 461 H N 5.348 124.414 119.070 -0.006 0.000 2.667 461 H HA 0.752 5.308 4.556 -0.000 0.000 0.353 461 H C -2.713 172.611 175.328 -0.008 0.000 1.072 461 H CA -1.553 54.490 56.048 -0.007 0.000 1.214 461 H CB 2.184 31.943 29.762 -0.005 0.000 1.600 461 H HN 0.564 nan 8.280 nan 0.000 0.527 462 P HA 0.382 nan 4.420 nan 0.000 0.300 462 P C -1.330 175.850 177.300 -0.199 0.000 1.326 462 P CA -0.641 62.101 63.100 -0.596 0.000 0.844 462 P CB 1.720 33.019 31.700 -0.667 0.000 0.992 463 T N -2.403 112.096 114.554 -0.091 0.000 2.843 463 T HA 0.345 4.695 4.350 -0.000 0.000 0.302 463 T C 0.776 175.412 174.700 -0.107 0.000 1.232 463 T CA -0.564 61.486 62.100 -0.083 0.000 1.009 463 T CB 1.112 69.953 68.868 -0.045 0.000 1.254 463 T HN -0.008 nan 8.240 nan 0.000 0.504 464 S N 0.461 116.026 115.700 -0.225 0.000 2.368 464 S HA 0.003 4.472 4.470 -0.000 0.000 0.224 464 S C 2.510 176.948 174.600 -0.270 0.000 1.029 464 S CA 1.175 59.082 58.200 -0.489 0.000 0.988 464 S CB -0.899 61.701 63.200 -0.999 0.000 0.838 464 S HN 0.950 nan 8.310 nan 0.000 0.462 465 A N 2.245 125.002 122.820 -0.106 0.000 1.986 465 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 465 A C 1.982 179.598 177.584 0.053 0.000 1.171 465 A CA 1.821 53.868 52.037 0.017 0.000 0.640 465 A CB -0.749 18.273 19.000 0.038 0.000 0.811 465 A HN 0.786 nan 8.150 nan 0.000 0.451 466 E N -0.497 119.729 120.200 0.042 0.000 2.401 466 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 466 E C 1.162 177.818 176.600 0.095 0.000 1.023 466 E CA 1.008 57.454 56.400 0.077 0.000 0.859 466 E CB -0.235 29.521 29.700 0.093 0.000 0.780 466 E HN 0.523 nan 8.360 nan 0.000 0.523 467 E N 1.258 121.515 120.200 0.095 0.000 2.160 467 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 467 E C 2.172 178.853 176.600 0.135 0.000 0.991 467 E CA 0.757 57.239 56.400 0.137 0.000 0.810 467 E CB -0.207 29.612 29.700 0.199 0.000 0.742 467 E HN 0.478 nan 8.360 nan 0.000 0.466 468 L N -0.406 120.898 121.223 0.136 0.000 2.265 468 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 468 L C 1.664 178.653 176.870 0.199 0.000 1.117 468 L CA 0.582 55.502 54.840 0.133 0.000 0.782 468 L CB -0.126 42.039 42.059 0.176 0.000 0.914 468 L HN 0.113 nan 8.230 nan 0.000 0.441 469 C N -1.493 117.919 119.300 0.186 0.000 2.668 469 C HA 0.214 4.674 4.460 -0.000 0.000 0.301 469 C C 1.910 176.988 174.990 0.147 0.000 1.351 469 C CA -0.231 58.900 59.018 0.189 0.000 1.757 469 C CB -0.656 27.166 27.740 0.136 0.000 2.179 469 C HN 0.314 nan 8.230 nan 0.000 0.586 470 S N 0.092 115.864 115.700 0.120 0.000 2.666 470 S HA 0.307 4.776 4.470 -0.000 0.000 0.239 470 S C 0.353 174.993 174.600 0.066 0.000 1.031 470 S CA -0.058 58.188 58.200 0.077 0.000 1.015 470 S CB 0.068 63.303 63.200 0.058 0.000 0.981 470 S HN 0.551 nan 8.310 nan 0.000 0.547 471 M N 1.602 121.259 119.600 0.095 0.000 2.080 471 M HA 0.391 4.871 4.480 -0.000 0.000 0.350 471 M C 1.129 177.488 176.300 0.099 0.000 1.173 471 M CA -0.171 55.196 55.300 0.112 0.000 1.052 471 M CB 1.243 33.929 32.600 0.143 0.000 1.577 471 M HN 0.012 nan 8.290 nan 0.000 0.455 472 R N 0.813 121.339 120.500 0.043 0.000 2.221 472 R HA 0.209 4.549 4.340 -0.000 0.000 0.195 472 R C -0.310 176.098 176.300 0.181 0.000 0.956 472 R CA 0.782 56.762 56.100 -0.201 0.000 1.064 472 R CB 0.879 30.997 30.300 -0.305 0.000 1.049 472 R HN 0.560 nan 8.270 nan 0.000 0.534 473 T N 2.613 117.317 114.554 0.249 0.000 2.881 473 T HA 0.383 4.733 4.350 -0.000 0.000 0.291 473 T C -2.723 171.849 174.700 -0.215 0.000 0.990 473 T CA -1.314 60.838 62.100 0.086 0.000 0.976 473 T CB 2.364 71.240 68.868 0.014 0.000 0.970 473 T HN -0.044 nan 8.240 nan 0.000 0.438 474 P HA 0.237 nan 4.420 nan 0.000 0.268 474 P C 0.459 177.380 177.300 -0.632 0.000 1.205 474 P CA -0.029 62.404 63.100 -1.111 0.000 0.771 474 P CB 0.628 31.531 31.700 -1.328 0.000 0.858 475 S N 1.455 116.805 115.700 -0.584 0.000 2.395 475 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 475 S C 0.373 174.831 174.600 -0.236 0.000 1.027 475 S CA 1.100 59.116 58.200 -0.307 0.000 0.965 475 S CB -0.521 62.561 63.200 -0.197 0.000 0.812 475 S HN 0.688 nan 8.310 nan 0.000 0.482 476 Y N -2.787 117.226 120.300 -0.477 0.000 2.914 476 Y HA 0.693 5.243 4.550 -0.000 0.000 0.327 476 Y C -1.599 173.883 175.900 -0.696 0.000 1.440 476 Y CA -2.094 55.750 58.100 -0.427 0.000 1.086 476 Y CB 0.610 38.940 38.460 -0.217 0.000 1.544 476 Y HN -0.092 nan 8.280 nan 0.000 0.442 477 Y N -1.036 119.292 120.300 0.047 0.000 2.615 477 Y HA 0.636 5.186 4.550 -0.000 0.000 0.341 477 Y C -1.620 174.261 175.900 -0.031 0.000 1.089 477 Y CA -1.471 56.618 58.100 -0.018 0.000 1.049 477 Y CB 2.207 40.614 38.460 -0.088 0.000 1.296 477 Y HN 0.560 nan 8.280 nan 0.000 0.470 478 Y N 0.665 121.110 120.300 0.242 0.000 2.331 478 Y HA 0.628 5.178 4.550 -0.000 0.000 0.334 478 Y C -0.782 175.211 175.900 0.156 0.000 0.960 478 Y CA -1.104 57.104 58.100 0.180 0.000 1.130 478 Y CB 1.784 40.335 38.460 0.153 0.000 1.164 478 Y HN 0.201 nan 8.280 nan 0.000 0.458 479 V N 4.319 124.363 119.914 0.215 0.000 2.384 479 V HA 0.244 4.364 4.120 -0.000 0.000 0.287 479 V C -0.076 176.100 176.094 0.138 0.000 1.020 479 V CA -1.557 60.833 62.300 0.151 0.000 0.850 479 V CB 1.269 33.136 31.823 0.073 0.000 0.987 479 V HN 0.849 nan 8.190 nan 0.000 0.436 480 K N 3.615 124.096 120.400 0.136 0.000 3.088 480 K HA -0.255 4.065 4.320 -0.000 0.000 0.273 480 K C 1.097 177.770 176.600 0.122 0.000 1.111 480 K CA 0.805 57.157 56.287 0.108 0.000 0.803 480 K CB -1.503 31.041 32.500 0.074 0.000 1.226 480 K HN 1.546 nan 8.250 nan 0.000 0.485 481 G N 0.416 109.325 108.800 0.182 0.000 2.175 481 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.244 481 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.244 481 G C -0.212 174.847 174.900 0.266 0.000 0.982 481 G CA 0.470 45.695 45.100 0.209 0.000 0.641 481 G HN 0.649 nan 8.290 nan 0.000 0.527 482 E N 0.428 120.746 120.200 0.198 0.000 2.179 482 E HA 0.623 4.972 4.350 -0.000 0.000 0.275 482 E C -0.044 176.557 176.600 0.001 0.000 0.945 482 E CA -1.005 55.462 56.400 0.112 0.000 0.792 482 E CB 1.080 30.812 29.700 0.053 0.000 1.125 482 E HN 0.232 nan 8.360 nan 0.000 0.397 483 K N 5.639 125.934 120.400 -0.174 0.000 2.276 483 K HA 0.259 4.579 4.320 -0.000 0.000 0.285 483 K C -0.586 175.864 176.600 -0.249 0.000 1.062 483 K CA -0.267 55.717 56.287 -0.506 0.000 0.918 483 K CB 0.451 32.554 32.500 -0.662 0.000 1.055 483 K HN 0.694 nan 8.250 nan 0.000 0.477 484 M N 1.498 121.002 119.600 -0.160 0.000 2.531 484 M HA 0.293 4.773 4.480 -0.000 0.000 0.286 484 M C 0.145 176.472 176.300 0.044 0.000 1.232 484 M CA -0.864 54.403 55.300 -0.055 0.000 0.877 484 M CB 1.976 34.563 32.600 -0.021 0.000 1.726 484 M HN 0.536 nan 8.290 nan 0.000 0.463 485 E N 1.142 121.367 120.200 0.042 0.000 2.158 485 E HA 0.044 4.393 4.350 -0.000 0.000 0.191 485 E C 0.369 177.098 176.600 0.215 0.000 0.982 485 E CA 1.335 57.800 56.400 0.109 0.000 0.823 485 E CB 0.405 30.130 29.700 0.043 0.000 0.766 485 E HN 0.672 nan 8.360 nan 0.000 0.468 486 K N 0.302 120.780 120.400 0.130 0.000 2.350 486 K HA 0.489 4.808 4.320 -0.000 0.000 0.241 486 K C -0.512 176.004 176.600 -0.139 0.000 0.994 486 K CA -0.630 55.694 56.287 0.062 0.000 0.839 486 K CB 0.719 33.230 32.500 0.019 0.000 1.244 486 K HN 0.030 nan 8.250 nan 0.000 0.443 487 L N 1.186 122.183 121.223 -0.377 0.000 2.453 487 L HA 0.313 4.653 4.340 -0.000 0.000 0.261 487 L C -1.440 175.322 176.870 -0.181 0.000 1.179 487 L CA -1.707 52.881 54.840 -0.421 0.000 0.813 487 L CB 1.435 43.181 42.059 -0.521 0.000 1.110 487 L HN 0.638 nan 8.230 nan 0.000 0.466 488 P HA 0.102 nan 4.420 nan 0.000 0.214 488 P C -0.860 176.406 177.300 -0.056 0.000 1.807 488 P CA -0.579 62.479 63.100 -0.069 0.000 0.921 488 P CB -0.546 31.128 31.700 -0.044 0.000 1.835 489 D N 0.000 120.360 120.400 -0.067 0.000 6.856 489 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 489 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 489 D CB 0.000 40.780 40.800 -0.034 0.000 0.688 489 D HN 0.000 nan 8.370 nan 0.000 0.683