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 3a4y_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA ALDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 2.947 123.436 120.500 -0.019 0.000 2.795 2 R HA 0.821 5.165 4.340 0.008 0.000 0.275 2 R C -1.545 174.732 176.300 -0.038 0.000 0.981 2 R CA -1.017 55.067 56.100 -0.027 0.000 0.917 2 R CB 2.866 33.151 30.300 -0.024 0.000 1.202 2 R HN 0.620 nan 8.270 nan 0.000 0.469 3 I N 1.331 121.869 120.570 -0.053 0.000 2.465 3 I HA 0.326 4.501 4.170 0.008 0.000 0.291 3 I C -1.342 174.717 176.117 -0.096 0.000 1.014 3 I CA -0.701 60.556 61.300 -0.073 0.000 1.093 3 I CB 2.166 40.115 38.000 -0.085 0.000 1.267 3 I HN 0.323 nan 8.210 nan 0.000 0.431 4 V N 9.457 129.310 119.914 -0.102 0.000 2.350 4 V HA 0.457 4.581 4.120 0.008 0.000 0.285 4 V C -2.302 173.624 176.094 -0.280 0.000 1.014 4 V CA -1.716 60.461 62.300 -0.205 0.000 0.831 4 V CB 1.196 32.911 31.823 -0.181 0.000 1.000 4 V HN 0.640 nan 8.190 nan 0.000 0.433 5 P HA 0.160 nan 4.420 nan 0.000 0.264 5 P C -0.439 176.444 177.300 -0.696 0.000 1.193 5 P CA 0.377 63.386 63.100 -0.152 0.000 0.763 5 P CB 0.188 31.817 31.700 -0.119 0.000 0.810 6 F N 2.276 122.010 119.950 -0.360 0.000 2.811 6 F HA 0.487 5.018 4.527 0.007 0.000 0.342 6 F C 0.811 176.557 175.800 -0.091 0.000 1.203 6 F CA 0.132 57.805 58.000 -0.545 0.000 1.173 6 F CB 0.743 39.611 39.000 -0.220 0.000 1.094 6 F HN 0.429 nan 8.300 nan 0.000 0.510 7 G N -1.212 107.649 108.800 0.102 0.000 2.340 7 G HA2 0.520 4.485 3.960 0.008 0.000 0.298 7 G HA3 0.520 4.485 3.960 0.008 0.000 0.298 7 G C -0.056 174.945 174.900 0.169 0.000 1.498 7 G CA -0.052 45.195 45.100 0.244 0.000 0.847 7 G HN 0.801 nan 8.290 nan 0.000 0.594 8 A N -1.930 121.013 122.820 0.206 0.000 2.832 8 A HA 0.269 4.593 4.320 0.008 0.000 0.280 8 A C 1.086 178.781 177.584 0.184 0.000 1.464 8 A CA 1.814 53.948 52.037 0.162 0.000 0.804 8 A CB -1.527 17.588 19.000 0.191 0.000 1.020 8 A HN 2.620 nan 8.150 nan 0.000 0.563 9 A N -0.637 122.305 122.820 0.203 0.000 2.279 9 A HA 0.662 4.986 4.320 0.008 0.000 0.306 9 A C 1.119 178.767 177.584 0.107 0.000 1.300 9 A CA 0.346 52.477 52.037 0.156 0.000 0.925 9 A CB 0.019 19.134 19.000 0.191 0.000 1.152 9 A HN 1.536 nan 8.150 nan 0.000 0.544 10 R N -0.250 120.291 120.500 0.068 0.000 3.863 10 R HA -0.222 4.123 4.340 0.008 0.000 0.313 10 R C 0.019 176.329 176.300 0.018 0.000 1.202 10 R CA 1.981 58.102 56.100 0.034 0.000 0.852 10 R CB -2.265 28.051 30.300 0.027 0.000 1.292 10 R HN 1.018 nan 8.270 nan 0.000 0.519 11 E N -2.369 117.844 120.200 0.022 0.000 2.430 11 E HA 0.443 4.798 4.350 0.008 0.000 0.279 11 E C 0.342 176.885 176.600 -0.094 0.000 1.003 11 E CA -0.522 55.872 56.400 -0.011 0.000 0.801 11 E CB 1.184 30.910 29.700 0.044 0.000 1.313 11 E HN -0.009 nan 8.360 nan 0.000 0.459 12 V N -2.179 117.627 119.914 -0.180 0.000 3.471 12 V HA 0.138 4.263 4.120 0.008 0.000 0.258 12 V C 0.800 176.668 176.094 -0.376 0.000 1.192 12 V CA 1.253 63.259 62.300 -0.490 0.000 1.116 12 V CB -0.372 31.201 31.823 -0.418 0.000 0.792 12 V HN 0.760 nan 8.190 nan 0.000 0.459 13 T N -3.385 111.117 114.554 -0.088 0.000 2.937 13 T HA 0.690 5.044 4.350 0.008 0.000 0.283 13 T C 1.091 175.749 174.700 -0.070 0.000 1.012 13 T CA 0.365 62.450 62.100 -0.025 0.000 0.997 13 T CB 1.293 70.196 68.868 0.058 0.000 1.136 13 T HN 1.559 nan 8.240 nan 0.000 0.551 14 G N 0.278 108.860 108.800 -0.364 0.000 2.195 14 G HA2 -0.263 3.701 3.960 0.008 0.000 0.246 14 G HA3 -0.263 3.701 3.960 0.008 0.000 0.246 14 G C 0.386 175.015 174.900 -0.451 0.000 0.984 14 G CA 0.100 44.688 45.100 -0.854 0.000 0.633 14 G HN 1.205 nan 8.290 nan 0.000 0.525 15 S N 0.967 116.489 115.700 -0.297 0.000 3.746 15 S HA 0.354 4.829 4.470 0.008 0.000 0.446 15 S C 0.525 174.874 174.600 -0.418 0.000 1.133 15 S CA 1.312 59.306 58.200 -0.343 0.000 1.060 15 S CB -0.108 62.770 63.200 -0.537 0.000 0.729 15 S HN 2.005 nan 8.310 nan 0.000 0.510 16 A N 5.428 127.867 122.820 -0.635 0.000 2.518 16 A HA 0.560 4.885 4.320 0.008 0.000 0.295 16 A C -1.235 175.876 177.584 -0.789 0.000 1.052 16 A CA -0.776 50.977 52.037 -0.473 0.000 0.824 16 A CB 1.049 19.966 19.000 -0.137 0.000 1.325 16 A HN 0.765 nan 8.150 nan 0.000 0.394 17 H N 2.210 121.152 119.070 -0.213 0.000 2.782 17 H HA 0.452 5.012 4.556 0.007 0.000 0.347 17 H C -1.398 173.775 175.328 -0.257 0.000 1.038 17 H CA -0.674 55.221 56.048 -0.255 0.000 1.255 17 H CB 1.951 31.443 29.762 -0.450 0.000 1.623 17 H HN 0.539 nan 8.280 nan 0.000 0.525 18 L N 4.346 125.508 121.223 -0.102 0.000 2.260 18 L HA 0.231 4.576 4.340 0.008 0.000 0.289 18 L C -0.775 176.026 176.870 -0.116 0.000 1.057 18 L CA -0.624 54.094 54.840 -0.204 0.000 0.811 18 L CB 0.562 42.440 42.059 -0.301 0.000 1.184 18 L HN 0.439 nan 8.230 nan 0.000 0.429 19 L N 6.537 127.692 121.223 -0.114 0.000 2.264 19 L HA 0.501 4.845 4.340 0.008 0.000 0.289 19 L C -1.175 175.658 176.870 -0.063 0.000 1.044 19 L CA 0.029 54.827 54.840 -0.071 0.000 0.807 19 L CB 0.811 42.841 42.059 -0.048 0.000 1.192 19 L HN 0.526 nan 8.230 nan 0.000 0.425 20 L N 6.643 127.840 121.223 -0.044 0.000 2.295 20 L HA 0.894 5.239 4.340 0.008 0.000 0.281 20 L C -0.166 176.692 176.870 -0.021 0.000 1.018 20 L CA -0.280 54.541 54.840 -0.032 0.000 0.841 20 L CB 0.942 42.989 42.059 -0.021 0.000 1.218 20 L HN 0.866 nan 8.230 nan 0.000 0.424 21 A N 1.566 124.375 122.820 -0.018 0.000 2.586 21 A HA 0.644 4.968 4.320 0.008 0.000 0.291 21 A C 0.461 178.038 177.584 -0.010 0.000 1.062 21 A CA 0.011 52.041 52.037 -0.012 0.000 0.666 21 A CB 1.043 20.038 19.000 -0.009 0.000 1.281 21 A HN 0.859 nan 8.150 nan 0.000 0.421 22 G N -0.412 108.383 108.800 -0.009 0.000 2.269 22 G HA2 0.176 4.140 3.960 0.008 0.000 0.277 22 G HA3 0.176 4.140 3.960 0.008 0.000 0.277 22 G C 1.874 176.770 174.900 -0.008 0.000 1.008 22 G CA 1.658 46.753 45.100 -0.009 0.000 0.774 22 G HN 2.964 nan 8.290 nan 0.000 0.511 23 G N -1.789 107.007 108.800 -0.007 0.000 2.198 23 G HA2 -0.220 3.744 3.960 0.008 0.000 0.260 23 G HA3 -0.220 3.744 3.960 0.008 0.000 0.260 23 G C 0.360 175.257 174.900 -0.005 0.000 1.025 23 G CA 1.137 46.234 45.100 -0.005 0.000 0.769 23 G HN 1.024 nan 8.290 nan 0.000 0.507 24 R N -1.132 119.363 120.500 -0.008 0.000 2.888 24 R HA 0.684 5.028 4.340 0.008 0.000 0.264 24 R C -0.170 176.119 176.300 -0.018 0.000 1.045 24 R CA -1.001 55.095 56.100 -0.008 0.000 0.962 24 R CB 1.218 31.514 30.300 -0.006 0.000 1.210 24 R HN 0.278 nan 8.270 nan 0.000 0.479 25 R N 0.578 121.065 120.500 -0.022 0.000 2.422 25 R HA 0.430 4.774 4.340 0.008 0.000 0.307 25 R C -0.922 175.341 176.300 -0.062 0.000 1.004 25 R CA -0.598 55.469 56.100 -0.054 0.000 0.882 25 R CB 1.907 32.170 30.300 -0.061 0.000 1.164 25 R HN 0.186 nan 8.270 nan 0.000 0.489 26 V N 4.667 124.534 119.914 -0.079 0.000 2.357 26 V HA 0.255 4.380 4.120 0.008 0.000 0.284 26 V C 0.088 176.105 176.094 -0.129 0.000 1.018 26 V CA -0.766 61.490 62.300 -0.073 0.000 0.841 26 V CB 1.804 33.601 31.823 -0.044 0.000 0.991 26 V HN 0.623 nan 8.190 nan 0.000 0.437 27 L N 6.030 127.149 121.223 -0.174 0.000 2.278 27 L HA 0.383 4.727 4.340 0.008 0.000 0.287 27 L C -0.896 175.903 176.870 -0.118 0.000 1.072 27 L CA -0.567 54.126 54.840 -0.245 0.000 0.819 27 L CB 1.214 43.053 42.059 -0.367 0.000 1.176 27 L HN 0.495 nan 8.230 nan 0.000 0.435 28 L N 5.777 126.943 121.223 -0.094 0.000 2.282 28 L HA 0.373 4.717 4.340 0.008 0.000 0.287 28 L C -0.199 176.692 176.870 0.034 0.000 1.075 28 L CA 0.265 55.122 54.840 0.029 0.000 0.839 28 L CB -0.121 41.925 42.059 -0.022 0.000 1.219 28 L HN 0.605 nan 8.230 nan 0.000 0.434 29 D N 1.273 121.736 120.400 0.104 0.000 10.757 29 D HA -0.246 4.399 4.640 0.008 0.000 0.352 29 D C -0.417 175.848 176.300 -0.059 0.000 3.129 29 D CA 0.358 54.395 54.000 0.063 0.000 2.630 29 D CB -0.228 40.633 40.800 0.101 0.000 1.214 29 D HN 0.638 nan 8.370 nan 0.000 0.943 30 C N 2.203 121.471 119.300 -0.055 0.000 2.945 30 C HA 0.526 4.990 4.460 0.008 0.000 0.216 30 C C 0.641 175.617 174.990 -0.024 0.000 1.319 30 C CA 0.482 59.482 59.018 -0.031 0.000 1.036 30 C CB -0.696 27.043 27.740 -0.002 0.000 1.871 30 C HN 0.680 nan 8.230 nan 0.000 0.660 31 G N 2.165 110.891 108.800 -0.122 0.000 2.562 31 G HA2 0.567 4.532 3.960 0.008 0.000 0.275 31 G HA3 0.567 4.532 3.960 0.008 0.000 0.275 31 G C -0.078 174.704 174.900 -0.197 0.000 1.196 31 G CA -0.420 44.613 45.100 -0.111 0.000 0.908 31 G HN 0.823 nan 8.290 nan 0.000 0.524 32 M N -0.798 118.730 119.600 -0.120 0.000 2.369 32 M HA 0.724 5.209 4.480 0.008 0.000 0.291 32 M C -1.093 175.018 176.300 -0.315 0.000 1.178 32 M CA -0.537 54.646 55.300 -0.195 0.000 0.996 32 M CB 1.112 33.763 32.600 0.086 0.000 1.472 32 M HN 0.222 nan 8.290 nan 0.000 0.496 33 F N 0.429 120.350 119.950 -0.049 0.000 2.377 33 F HA 0.504 5.035 4.527 0.006 0.000 0.328 33 F C 0.276 176.067 175.800 -0.016 0.000 1.094 33 F CA -0.225 57.751 58.000 -0.041 0.000 1.093 33 F CB 1.303 40.254 39.000 -0.081 0.000 1.214 33 F HN 0.581 nan 8.300 nan 0.000 0.518 34 Q N 0.162 120.069 119.800 0.179 0.000 2.544 34 Q HA 0.606 4.950 4.340 0.008 0.000 0.291 34 Q C 0.346 176.403 176.000 0.095 0.000 1.068 34 Q CA -0.605 55.268 55.803 0.117 0.000 0.785 34 Q CB 2.446 31.239 28.738 0.092 0.000 1.481 34 Q HN 0.866 nan 8.270 nan 0.000 0.430 35 G N 1.249 110.097 108.800 0.079 0.000 2.561 35 G HA2 -0.406 3.559 3.960 0.008 0.000 0.289 35 G HA3 -0.406 3.559 3.960 0.008 0.000 0.289 35 G C 0.461 175.388 174.900 0.046 0.000 1.169 35 G CA 0.668 45.806 45.100 0.063 0.000 0.980 35 G HN 0.618 nan 8.290 nan 0.000 0.550 36 K N 1.028 121.446 120.400 0.030 0.000 2.209 36 K HA -0.004 4.320 4.320 0.008 0.000 0.204 36 K C 1.989 178.579 176.600 -0.016 0.000 1.048 36 K CA 1.470 57.760 56.287 0.006 0.000 0.940 36 K CB -0.065 32.432 32.500 -0.005 0.000 0.729 36 K HN 0.422 nan 8.250 nan 0.000 0.451 37 E N 0.684 120.881 120.200 -0.006 0.000 2.478 37 E HA -0.095 4.259 4.350 0.008 0.000 0.194 37 E C 1.372 177.956 176.600 -0.027 0.000 1.045 37 E CA 0.294 56.656 56.400 -0.062 0.000 0.868 37 E CB 0.228 29.909 29.700 -0.032 0.000 0.885 37 E HN 0.367 nan 8.360 nan 0.000 0.505 38 E N 1.404 121.627 120.200 0.038 0.000 2.114 38 E HA -0.255 4.100 4.350 0.008 0.000 0.199 38 E C 1.870 178.462 176.600 -0.012 0.000 1.008 38 E CA 1.451 57.879 56.400 0.047 0.000 0.810 38 E CB 0.006 29.744 29.700 0.064 0.000 0.739 38 E HN 0.227 nan 8.360 nan 0.000 0.456 39 A N 0.923 123.745 122.820 0.004 0.000 2.024 39 A HA -0.186 4.138 4.320 0.008 0.000 0.220 39 A C 1.937 179.505 177.584 -0.027 0.000 1.164 39 A CA 1.282 53.357 52.037 0.064 0.000 0.643 39 A CB -0.475 18.543 19.000 0.030 0.000 0.806 39 A HN 0.192 nan 8.150 nan 0.000 0.451 40 R N -0.343 120.058 120.500 -0.165 0.000 2.339 40 R HA -0.010 4.334 4.340 0.008 0.000 0.199 40 R C 0.806 176.996 176.300 -0.183 0.000 1.018 40 R CA 0.884 56.809 56.100 -0.292 0.000 1.036 40 R CB -0.438 29.425 30.300 -0.728 0.000 0.899 40 R HN 0.691 nan 8.270 nan 0.000 0.473 41 N N -0.563 117.972 118.700 -0.275 0.000 2.422 41 N HA -0.038 4.707 4.740 0.008 0.000 0.181 41 N C 1.071 176.094 175.510 -0.811 0.000 1.080 41 N CA 0.115 52.755 53.050 -0.684 0.000 0.893 41 N CB 0.236 37.963 38.487 -1.267 0.000 0.973 41 N HN 0.256 nan 8.380 nan 0.000 0.456 42 H N 0.320 119.202 119.070 -0.315 0.000 2.465 42 H HA 0.229 4.789 4.556 0.007 0.000 0.289 42 H C 1.150 176.376 175.328 -0.170 0.000 1.022 42 H CA 0.238 56.182 56.048 -0.172 0.000 1.340 42 H CB 0.019 29.731 29.762 -0.083 0.000 1.437 42 H HN 0.156 nan 8.280 nan 0.000 0.539 43 A N 2.965 125.735 122.820 -0.084 0.000 2.364 43 A HA 0.213 4.537 4.320 0.008 0.000 0.258 43 A C -1.689 175.790 177.584 -0.175 0.000 1.131 43 A CA -0.730 51.239 52.037 -0.114 0.000 0.800 43 A CB -0.435 18.477 19.000 -0.147 0.000 1.086 43 A HN 0.103 nan 8.150 nan 0.000 0.508 44 P HA 0.323 nan 4.420 nan 0.000 0.281 44 P C 0.081 177.278 177.300 -0.172 0.000 1.264 44 P CA -0.362 62.640 63.100 -0.163 0.000 0.824 44 P CB 0.526 32.188 31.700 -0.064 0.000 1.092 45 F N 0.279 120.098 119.950 -0.219 0.000 2.051 45 F HA 0.060 4.592 4.527 0.008 0.000 0.296 45 F C 2.184 177.902 175.800 -0.137 0.000 1.122 45 F CA 2.785 60.583 58.000 -0.337 0.000 1.201 45 F CB -0.945 37.378 39.000 -1.129 0.000 0.978 45 F HN 0.612 nan 8.300 nan 0.000 0.472 46 G N -1.308 107.454 108.800 -0.064 0.000 2.273 46 G HA2 -0.110 3.855 3.960 0.008 0.000 0.162 46 G HA3 -0.110 3.855 3.960 0.008 0.000 0.162 46 G C -0.120 174.739 174.900 -0.068 0.000 1.006 46 G CA -0.181 45.026 45.100 0.179 0.000 0.704 46 G HN 0.444 nan 8.290 nan 0.000 0.487 47 F N -0.731 119.023 119.950 -0.327 0.000 2.685 47 F HA 0.791 5.320 4.527 0.003 0.000 0.315 47 F C -1.025 174.663 175.800 -0.186 0.000 1.126 47 F CA -1.838 55.970 58.000 -0.320 0.000 0.950 47 F CB 0.944 39.584 39.000 -0.601 0.000 1.360 47 F HN -0.078 nan 8.300 nan 0.000 0.469 48 D N 3.310 123.752 120.400 0.070 0.000 2.365 48 D HA 0.344 4.989 4.640 0.008 0.000 0.237 48 D C -1.449 174.871 176.300 0.034 0.000 1.190 48 D CA -2.581 51.416 54.000 -0.005 0.000 0.867 48 D CB 1.275 42.093 40.800 0.030 0.000 1.050 48 D HN 0.277 nan 8.370 nan 0.000 0.491 49 P HA -0.213 nan 4.420 nan 0.000 0.216 49 P C 0.802 178.121 177.300 0.031 0.000 1.150 49 P CA 1.174 64.200 63.100 -0.124 0.000 0.843 49 P CB 0.327 31.869 31.700 -0.262 0.000 0.787 50 K N -0.502 119.907 120.400 0.014 0.000 2.362 50 K HA -0.085 4.240 4.320 0.008 0.000 0.200 50 K C 1.795 178.413 176.600 0.030 0.000 1.046 50 K CA 0.752 57.049 56.287 0.016 0.000 0.952 50 K CB -0.080 32.417 32.500 -0.005 0.000 0.753 50 K HN 0.150 nan 8.250 nan 0.000 0.466 51 E N 0.559 120.787 120.200 0.047 0.000 2.442 51 E HA 0.001 4.356 4.350 0.008 0.000 0.195 51 E C 0.196 176.828 176.600 0.052 0.000 1.030 51 E CA 0.174 56.598 56.400 0.041 0.000 0.869 51 E CB 0.204 29.927 29.700 0.039 0.000 0.857 51 E HN -0.031 nan 8.360 nan 0.000 0.505 52 V N 2.898 122.870 119.914 0.098 0.000 2.585 52 V HA -0.044 4.081 4.120 0.008 0.000 0.296 52 V C 1.267 177.491 176.094 0.217 0.000 1.035 52 V CA 0.305 62.663 62.300 0.097 0.000 1.084 52 V CB 1.010 32.821 31.823 -0.020 0.000 0.953 52 V HN 0.034 nan 8.190 nan 0.000 0.483 53 D N 2.594 123.070 120.400 0.126 0.000 2.240 53 D HA 0.295 4.940 4.640 0.008 0.000 0.206 53 D C 0.559 176.979 176.300 0.199 0.000 0.963 53 D CA 1.280 55.351 54.000 0.119 0.000 0.863 53 D CB 0.889 41.723 40.800 0.056 0.000 0.973 53 D HN 0.709 nan 8.370 nan 0.000 0.501 54 A N -0.179 122.770 122.820 0.214 0.000 2.608 54 A HA 0.546 4.871 4.320 0.008 0.000 0.292 54 A C -1.482 176.191 177.584 0.147 0.000 1.066 54 A CA -0.557 51.646 52.037 0.278 0.000 0.676 54 A CB 1.498 20.640 19.000 0.236 0.000 1.277 54 A HN -0.121 nan 8.150 nan 0.000 0.413 55 V N 0.862 120.897 119.914 0.202 0.000 2.656 55 V HA 0.662 4.786 4.120 0.008 0.000 0.307 55 V C -1.097 175.127 176.094 0.217 0.000 1.051 55 V CA -0.483 61.861 62.300 0.072 0.000 0.893 55 V CB 1.561 33.342 31.823 -0.070 0.000 0.999 55 V HN 0.742 nan 8.190 nan 0.000 0.426 56 L N 4.731 126.053 121.223 0.164 0.000 2.362 56 L HA 0.629 4.973 4.340 0.008 0.000 0.275 56 L C -0.901 176.146 176.870 0.294 0.000 0.998 56 L CA -0.264 54.731 54.840 0.258 0.000 0.820 56 L CB 1.749 43.907 42.059 0.166 0.000 1.270 56 L HN 0.407 nan 8.230 nan 0.000 0.415 57 L N 2.196 123.631 121.223 0.353 0.000 2.313 57 L HA 0.450 4.794 4.340 0.008 0.000 0.283 57 L C 1.290 178.248 176.870 0.146 0.000 1.013 57 L CA 0.035 55.005 54.840 0.217 0.000 0.816 57 L CB 1.650 43.783 42.059 0.124 0.000 1.236 57 L HN 0.816 nan 8.230 nan 0.000 0.419 58 T N -0.776 113.851 114.554 0.123 0.000 2.985 58 T HA 0.075 4.430 4.350 0.008 0.000 0.266 58 T C 0.504 175.160 174.700 -0.072 0.000 1.076 58 T CA 0.990 63.072 62.100 -0.029 0.000 1.135 58 T CB -0.247 68.669 68.868 0.080 0.000 0.890 58 T HN 0.681 nan 8.240 nan 0.000 0.480 59 H N -2.526 116.479 119.070 -0.109 0.000 2.950 59 H HA 0.596 5.157 4.556 0.008 0.000 0.307 59 H C 0.300 175.584 175.328 -0.075 0.000 1.403 59 H CA -0.456 55.497 56.048 -0.157 0.000 1.145 59 H CB 1.123 30.774 29.762 -0.186 0.000 1.844 59 H HN 0.006 nan 8.280 nan 0.000 0.515 60 A N 0.728 123.587 122.820 0.065 0.000 2.235 60 A HA 0.417 4.741 4.320 0.008 0.000 0.208 60 A C 1.273 178.901 177.584 0.073 0.000 1.172 60 A CA 0.588 52.641 52.037 0.027 0.000 0.786 60 A CB -0.816 18.181 19.000 -0.006 0.000 0.804 60 A HN 0.870 nan 8.150 nan 0.000 0.479 61 A N -0.805 122.130 122.820 0.192 0.000 2.520 61 A HA 0.334 4.658 4.320 0.008 0.000 0.235 61 A C 1.133 178.786 177.584 0.115 0.000 1.065 61 A CA -0.151 51.993 52.037 0.177 0.000 0.764 61 A CB 0.001 19.196 19.000 0.325 0.000 1.002 61 A HN 0.446 nan 8.150 nan 0.000 0.502 62 L N 1.089 122.380 121.223 0.113 0.000 2.127 62 L HA -0.131 4.214 4.340 0.008 0.000 0.211 62 L C 2.005 178.943 176.870 0.115 0.000 1.089 62 L CA 2.502 57.409 54.840 0.111 0.000 0.757 62 L CB -0.525 41.599 42.059 0.108 0.000 0.899 62 L HN 0.883 nan 8.230 nan 0.000 0.434 63 D N -3.219 117.271 120.400 0.149 0.000 2.319 63 D HA -0.125 4.520 4.640 0.008 0.000 0.230 63 D C 1.163 177.532 176.300 0.115 0.000 1.094 63 D CA 0.490 54.567 54.000 0.128 0.000 0.856 63 D CB -0.129 40.779 40.800 0.180 0.000 0.915 63 D HN 0.530 nan 8.370 nan 0.000 0.517 64 H N -0.604 118.431 119.070 -0.059 0.000 3.643 64 H HA 0.080 4.641 4.556 0.008 0.000 0.256 64 H C 1.522 176.797 175.328 -0.088 0.000 1.107 64 H CA 0.606 56.576 56.048 -0.130 0.000 1.175 64 H CB 1.798 31.301 29.762 -0.431 0.000 1.519 64 H HN 0.170 nan 8.280 nan 0.000 0.565 65 V N -3.026 116.920 119.914 0.054 0.000 3.411 65 V HA 0.424 4.549 4.120 0.008 0.000 0.287 65 V C 1.942 178.073 176.094 0.061 0.000 1.543 65 V CA 0.829 63.154 62.300 0.043 0.000 1.028 65 V CB 0.339 32.179 31.823 0.028 0.000 0.840 65 V HN 0.198 nan 8.190 nan 0.000 0.435 66 G N 1.197 110.053 108.800 0.092 0.000 2.469 66 G HA2 -0.224 3.740 3.960 0.008 0.000 0.220 66 G HA3 -0.224 3.740 3.960 0.008 0.000 0.220 66 G C 1.635 176.702 174.900 0.277 0.000 1.136 66 G CA 1.149 46.357 45.100 0.181 0.000 0.759 66 G HN 0.518 nan 8.290 nan 0.000 0.562 67 R N -0.771 119.855 120.500 0.210 0.000 2.317 67 R HA 0.236 4.581 4.340 0.008 0.000 0.208 67 R C 2.154 178.621 176.300 0.279 0.000 0.914 67 R CA -0.325 55.963 56.100 0.313 0.000 1.060 67 R CB -0.146 30.268 30.300 0.191 0.000 1.015 67 R HN 0.314 nan 8.270 nan 0.000 0.498 68 L N 2.651 123.961 121.223 0.145 0.000 1.997 68 L HA -0.156 4.189 4.340 0.008 0.000 0.216 68 L C -0.995 175.980 176.870 0.174 0.000 1.074 68 L CA 2.210 57.131 54.840 0.134 0.000 0.763 68 L CB -0.861 41.259 42.059 0.101 0.000 0.890 68 L HN 0.061 nan 8.230 nan 0.000 0.434 69 P HA -0.223 nan 4.420 nan 0.000 0.223 69 P C 1.266 178.597 177.300 0.052 0.000 1.144 69 P CA 1.555 64.543 63.100 -0.187 0.000 0.783 69 P CB -0.119 30.995 31.700 -0.977 0.000 0.771 70 K N -0.440 120.094 120.400 0.224 0.000 2.243 70 K HA -0.035 4.290 4.320 0.008 0.000 0.201 70 K C 2.076 178.910 176.600 0.389 0.000 1.051 70 K CA 0.203 56.721 56.287 0.384 0.000 0.970 70 K CB -0.403 32.388 32.500 0.485 0.000 0.755 70 K HN -0.046 nan 8.250 nan 0.000 0.465 71 L N 0.593 122.017 121.223 0.336 0.000 2.056 71 L HA -0.059 4.285 4.340 0.008 0.000 0.207 71 L C 1.687 178.522 176.870 -0.058 0.000 1.078 71 L CA 1.677 56.530 54.840 0.020 0.000 0.749 71 L CB -0.352 41.535 42.059 -0.287 0.000 0.901 71 L HN 0.110 nan 8.230 nan 0.000 0.433 72 F N -0.357 119.641 119.950 0.080 0.000 2.128 72 F HA -0.083 4.451 4.527 0.011 0.000 0.295 72 F C 2.716 178.558 175.800 0.071 0.000 1.100 72 F CA 1.581 59.623 58.000 0.071 0.000 1.260 72 F CB -0.565 38.447 39.000 0.019 0.000 1.009 72 F HN -0.003 nan 8.300 nan 0.000 0.476 73 R N 1.015 121.672 120.500 0.263 0.000 2.226 73 R HA -0.193 4.152 4.340 0.008 0.000 0.246 73 R C 0.695 177.088 176.300 0.155 0.000 1.161 73 R CA 1.753 57.969 56.100 0.195 0.000 0.997 73 R CB -0.331 30.095 30.300 0.210 0.000 0.870 73 R HN 0.376 nan 8.270 nan 0.000 0.465 74 E N -1.538 118.751 120.200 0.148 0.000 2.496 74 E HA 0.158 4.513 4.350 0.008 0.000 0.200 74 E C 0.436 177.070 176.600 0.056 0.000 1.016 74 E CA 0.234 56.699 56.400 0.108 0.000 0.962 74 E CB 1.216 31.003 29.700 0.145 0.000 1.071 74 E HN 0.611 nan 8.360 nan 0.000 0.457 75 G N 1.332 110.161 108.800 0.048 0.000 2.905 75 G HA2 -0.298 3.667 3.960 0.008 0.000 0.199 75 G HA3 -0.298 3.667 3.960 0.008 0.000 0.199 75 G C -0.043 174.829 174.900 -0.048 0.000 1.370 75 G CA -0.398 44.707 45.100 0.009 0.000 0.966 75 G HN 0.351 nan 8.290 nan 0.000 0.522 76 Y N 2.274 122.426 120.300 -0.248 0.000 3.073 76 Y HA 0.246 4.800 4.550 0.005 0.000 0.343 76 Y C 1.379 177.005 175.900 -0.457 0.000 1.274 76 Y CA 1.741 59.593 58.100 -0.413 0.000 1.554 76 Y CB 0.521 38.587 38.460 -0.656 0.000 1.250 76 Y HN 0.328 nan 8.280 nan 0.000 0.622 77 R N 3.288 123.158 120.500 -1.050 0.000 2.518 77 R HA 0.270 4.614 4.340 0.008 0.000 0.419 77 R C 0.280 176.134 176.300 -0.742 0.000 0.902 77 R CA 0.251 55.951 56.100 -0.667 0.000 1.146 77 R CB 0.345 30.507 30.300 -0.230 0.000 1.652 77 R HN 0.793 nan 8.270 nan 0.000 0.555 78 G N 0.853 108.714 108.800 -1.565 0.000 2.621 78 G HA2 0.367 4.332 3.960 0.008 0.000 0.271 78 G HA3 0.367 4.332 3.960 0.008 0.000 0.271 78 G C -2.366 172.535 174.900 0.001 0.000 1.236 78 G CA -1.029 43.671 45.100 -0.667 0.000 0.958 78 G HN -0.066 nan 8.290 nan 0.000 0.512 79 P HA 0.349 nan 4.420 nan 0.000 0.279 79 P C -0.910 176.513 177.300 0.206 0.000 1.252 79 P CA -0.375 62.821 63.100 0.159 0.000 0.811 79 P CB 1.865 33.540 31.700 -0.042 0.000 1.035 80 V N 3.014 122.967 119.914 0.066 0.000 2.376 80 V HA 0.267 4.391 4.120 0.008 0.000 0.287 80 V C -0.466 175.585 176.094 -0.071 0.000 1.015 80 V CA -0.514 61.857 62.300 0.118 0.000 0.834 80 V CB 0.445 32.400 31.823 0.220 0.000 1.001 80 V HN 0.397 nan 8.190 nan 0.000 0.428 81 Y N 2.716 123.087 120.300 0.118 0.000 2.320 81 Y HA 0.825 5.379 4.550 0.006 0.000 0.324 81 Y C 0.531 176.554 175.900 0.204 0.000 1.190 81 Y CA -0.181 57.982 58.100 0.106 0.000 1.215 81 Y CB 1.828 40.291 38.460 0.005 0.000 1.221 81 Y HN 0.831 nan 8.280 nan 0.000 0.486 82 A N 0.266 123.306 122.820 0.367 0.000 2.569 82 A HA 0.506 4.830 4.320 0.008 0.000 0.292 82 A C -0.394 177.271 177.584 0.136 0.000 1.032 82 A CA -0.688 51.518 52.037 0.282 0.000 0.669 82 A CB -0.008 19.047 19.000 0.092 0.000 1.290 82 A HN 0.759 nan 8.150 nan 0.000 0.422 83 T N -0.339 114.159 114.554 -0.094 0.000 2.802 83 T HA 0.308 4.662 4.350 0.008 0.000 0.305 83 T C 1.192 175.805 174.700 -0.145 0.000 1.053 83 T CA 0.136 62.134 62.100 -0.170 0.000 1.058 83 T CB 0.411 69.015 68.868 -0.440 0.000 0.988 83 T HN 0.669 nan 8.240 nan 0.000 0.539 84 R N 1.180 121.654 120.500 -0.044 0.000 2.105 84 R HA -0.096 4.249 4.340 0.008 0.000 0.239 84 R C 2.766 178.955 176.300 -0.185 0.000 1.135 84 R CA 1.317 57.396 56.100 -0.035 0.000 0.967 84 R CB -1.162 29.193 30.300 0.091 0.000 0.861 84 R HN 0.846 nan 8.270 nan 0.000 0.442 85 A N 0.851 123.348 122.820 -0.539 0.000 1.883 85 A HA -0.168 4.156 4.320 0.008 0.000 0.217 85 A C 2.247 179.584 177.584 -0.413 0.000 1.186 85 A CA 2.093 53.690 52.037 -0.734 0.000 0.624 85 A CB -0.861 17.144 19.000 -1.658 0.000 0.822 85 A HN 0.285 nan 8.150 nan 0.000 0.444 86 T N -0.390 113.941 114.554 -0.373 0.000 2.821 86 T HA -0.083 4.271 4.350 0.008 0.000 0.267 86 T C 1.876 176.498 174.700 -0.130 0.000 1.046 86 T CA 1.360 63.331 62.100 -0.213 0.000 1.139 86 T CB -0.421 68.334 68.868 -0.188 0.000 0.871 86 T HN 0.158 nan 8.240 nan 0.000 0.454 87 V N 1.748 121.591 119.914 -0.119 0.000 2.255 87 V HA -0.168 3.956 4.120 0.008 0.000 0.247 87 V C 2.502 178.556 176.094 -0.066 0.000 1.051 87 V CA 1.672 63.929 62.300 -0.072 0.000 1.018 87 V CB -0.738 31.052 31.823 -0.055 0.000 0.641 87 V HN 0.435 nan 8.190 nan 0.000 0.445 88 L N -0.993 120.185 121.223 -0.076 0.000 2.017 88 L HA -0.184 4.161 4.340 0.008 0.000 0.208 88 L C 2.448 179.292 176.870 -0.043 0.000 1.073 88 L CA 1.447 56.257 54.840 -0.051 0.000 0.745 88 L CB -0.587 41.446 42.059 -0.043 0.000 0.894 88 L HN 0.281 nan 8.230 nan 0.000 0.432 89 L N -1.026 120.159 121.223 -0.062 0.000 2.017 89 L HA -0.268 4.076 4.340 0.008 0.000 0.208 89 L C 2.747 179.604 176.870 -0.021 0.000 1.073 89 L CA 1.374 56.193 54.840 -0.036 0.000 0.745 89 L CB -0.317 41.709 42.059 -0.054 0.000 0.894 89 L HN 0.307 nan 8.230 nan 0.000 0.432 90 M N -0.637 118.943 119.600 -0.032 0.000 2.108 90 M HA -0.325 4.160 4.480 0.008 0.000 0.257 90 M C 2.241 178.530 176.300 -0.017 0.000 1.071 90 M CA 1.906 57.193 55.300 -0.020 0.000 1.093 90 M CB -0.293 32.289 32.600 -0.030 0.000 1.345 90 M HN 0.275 nan 8.290 nan 0.000 0.403 91 E N 0.373 120.559 120.200 -0.024 0.000 2.110 91 E HA -0.199 4.156 4.350 0.008 0.000 0.193 91 E C 1.731 178.328 176.600 -0.005 0.000 0.988 91 E CA 1.215 57.603 56.400 -0.021 0.000 0.804 91 E CB -0.041 29.644 29.700 -0.024 0.000 0.745 91 E HN 0.563 nan 8.360 nan 0.000 0.458 92 I N 0.025 120.595 120.570 0.001 0.000 2.286 92 I HA -0.206 3.968 4.170 0.008 0.000 0.245 92 I C 2.325 178.454 176.117 0.020 0.000 1.104 92 I CA 0.418 61.724 61.300 0.009 0.000 1.397 92 I CB -0.090 37.915 38.000 0.008 0.000 1.072 92 I HN 0.019 nan 8.210 nan 0.000 0.417 93 V N 0.732 120.660 119.914 0.023 0.000 2.295 93 V HA -0.271 3.854 4.120 0.008 0.000 0.246 93 V C 2.402 178.529 176.094 0.055 0.000 1.049 93 V CA 1.574 63.898 62.300 0.040 0.000 1.024 93 V CB -0.482 31.366 31.823 0.041 0.000 0.648 93 V HN 0.279 nan 8.190 nan 0.000 0.447 94 L N -0.299 120.948 121.223 0.040 0.000 2.023 94 L HA -0.059 4.285 4.340 0.008 0.000 0.205 94 L C 2.601 179.518 176.870 0.079 0.000 1.073 94 L CA 1.686 56.560 54.840 0.056 0.000 0.745 94 L CB -1.326 40.725 42.059 -0.014 0.000 0.900 94 L HN 0.312 nan 8.230 nan 0.000 0.435 95 E N -0.379 119.847 120.200 0.044 0.000 2.070 95 E HA -0.305 4.050 4.350 0.008 0.000 0.197 95 E C 1.880 178.510 176.600 0.049 0.000 1.004 95 E CA 1.728 58.155 56.400 0.044 0.000 0.805 95 E CB -0.353 29.360 29.700 0.022 0.000 0.744 95 E HN 0.594 nan 8.360 nan 0.000 0.451 96 D N 0.275 120.701 120.400 0.044 0.000 2.097 96 D HA -0.115 4.530 4.640 0.008 0.000 0.195 96 D C 1.902 178.231 176.300 0.049 0.000 0.989 96 D CA 1.748 55.772 54.000 0.040 0.000 0.827 96 D CB -0.042 40.780 40.800 0.038 0.000 0.966 96 D HN 0.135 nan 8.370 nan 0.000 0.456 97 A N 0.130 122.996 122.820 0.076 0.000 2.019 97 A HA -0.105 4.220 4.320 0.008 0.000 0.219 97 A C 2.314 179.915 177.584 0.029 0.000 1.164 97 A CA 0.858 52.945 52.037 0.084 0.000 0.644 97 A CB -0.788 18.310 19.000 0.164 0.000 0.805 97 A HN 0.451 nan 8.150 nan 0.000 0.449 98 L N -0.976 120.289 121.223 0.070 0.000 2.044 98 L HA -0.141 4.203 4.340 0.008 0.000 0.205 98 L C 2.617 179.461 176.870 -0.043 0.000 1.075 98 L CA 1.971 56.811 54.840 0.000 0.000 0.747 98 L CB -0.297 41.827 42.059 0.108 0.000 0.903 98 L HN 0.467 nan 8.230 nan 0.000 0.435 99 K N -0.582 119.817 120.400 -0.003 0.000 2.097 99 K HA -0.089 4.236 4.320 0.008 0.000 0.206 99 K C 0.305 176.897 176.600 -0.012 0.000 1.049 99 K CA 0.734 57.017 56.287 -0.006 0.000 0.933 99 K CB 0.209 32.714 32.500 0.009 0.000 0.717 99 K HN 0.100 nan 8.250 nan 0.000 0.442 100 V N 2.393 122.303 119.914 -0.007 0.000 2.311 100 V HA 0.386 4.511 4.120 0.008 0.000 0.275 100 V C -0.456 175.627 176.094 -0.019 0.000 1.022 100 V CA -0.251 62.048 62.300 -0.001 0.000 0.830 100 V CB 0.787 32.623 31.823 0.023 0.000 1.012 100 V HN 0.336 nan 8.190 nan 0.000 0.452 101 M N 3.379 122.962 119.600 -0.027 0.000 2.410 101 M HA 0.122 4.607 4.480 0.008 0.000 0.255 101 M C -0.263 176.020 176.300 -0.028 0.000 0.936 101 M CA -0.393 54.884 55.300 -0.037 0.000 0.828 101 M CB 1.518 34.045 32.600 -0.123 0.000 2.029 101 M HN 0.669 nan 8.290 nan 0.000 0.537 102 D N 2.919 123.325 120.400 0.009 0.000 2.096 102 D HA -0.133 4.511 4.640 0.008 0.000 0.200 102 D C 0.121 176.433 176.300 0.019 0.000 0.980 102 D CA 1.595 55.606 54.000 0.019 0.000 0.860 102 D CB -0.060 40.763 40.800 0.039 0.000 1.005 102 D HN 0.780 nan 8.370 nan 0.000 0.449 103 E N 2.414 122.655 120.200 0.068 0.000 2.079 103 E HA 0.317 4.672 4.350 0.008 0.000 0.252 103 E C -2.388 174.292 176.600 0.134 0.000 0.992 103 E CA -1.960 54.505 56.400 0.109 0.000 0.829 103 E CB 0.581 30.379 29.700 0.163 0.000 1.158 103 E HN 0.109 nan 8.360 nan 0.000 0.435 104 P HA -0.074 nan 4.420 nan 0.000 0.267 104 P C -0.368 176.830 177.300 -0.170 0.000 1.205 104 P CA -0.200 62.718 63.100 -0.302 0.000 0.765 104 P CB 0.248 31.702 31.700 -0.410 0.000 0.828 105 F N 2.154 121.964 119.950 -0.234 0.000 2.645 105 F HA 0.433 4.964 4.527 0.007 0.000 0.300 105 F C 0.008 175.863 175.800 0.092 0.000 1.115 105 F CA -1.098 56.877 58.000 -0.041 0.000 1.355 105 F CB -0.563 38.302 39.000 -0.225 0.000 1.026 105 F HN 0.141 nan 8.300 nan 0.000 0.536 106 F N -1.557 118.215 119.950 -0.297 0.000 2.719 106 F HA 0.856 5.387 4.527 0.007 0.000 0.309 106 F C -0.281 175.431 175.800 -0.147 0.000 1.138 106 F CA -1.637 56.256 58.000 -0.179 0.000 0.943 106 F CB 0.725 39.579 39.000 -0.244 0.000 1.304 106 F HN 0.021 nan 8.300 nan 0.000 0.445 107 G N 0.177 109.159 108.800 0.304 0.000 2.820 107 G HA2 0.628 4.592 3.960 0.008 0.000 0.291 107 G HA3 0.628 4.592 3.960 0.008 0.000 0.291 107 G C -2.424 172.611 174.900 0.225 0.000 1.323 107 G CA -1.886 43.325 45.100 0.185 0.000 1.055 107 G HN 0.455 nan 8.290 nan 0.000 0.520 108 P HA -0.122 nan 4.420 nan 0.000 0.218 108 P C 1.425 178.755 177.300 0.050 0.000 1.149 108 P CA 1.407 64.556 63.100 0.082 0.000 0.817 108 P CB 0.169 31.899 31.700 0.049 0.000 0.785 109 E N 0.981 121.213 120.200 0.053 0.000 2.085 109 E HA -0.210 4.145 4.350 0.008 0.000 0.194 109 E C 1.409 178.023 176.600 0.025 0.000 0.994 109 E CA 1.326 57.748 56.400 0.037 0.000 0.801 109 E CB -1.326 28.403 29.700 0.048 0.000 0.743 109 E HN 0.284 nan 8.360 nan 0.000 0.453 110 D N 1.319 121.747 120.400 0.046 0.000 2.097 110 D HA -0.093 4.551 4.640 0.008 0.000 0.197 110 D C 2.351 178.579 176.300 -0.119 0.000 0.984 110 D CA 1.453 55.459 54.000 0.009 0.000 0.826 110 D CB -0.174 40.653 40.800 0.045 0.000 0.973 110 D HN 0.133 nan 8.370 nan 0.000 0.460 111 V N 1.584 121.416 119.914 -0.138 0.000 2.295 111 V HA -0.234 3.890 4.120 0.008 0.000 0.246 111 V C 2.558 178.559 176.094 -0.155 0.000 1.049 111 V CA 1.851 64.037 62.300 -0.191 0.000 1.024 111 V CB -0.619 31.147 31.823 -0.095 0.000 0.648 111 V HN 0.223 nan 8.190 nan 0.000 0.447 112 E N 0.378 120.522 120.200 -0.094 0.000 2.038 112 E HA -0.336 4.018 4.350 0.008 0.000 0.195 112 E C 2.217 178.737 176.600 -0.133 0.000 1.000 112 E CA 1.951 58.299 56.400 -0.088 0.000 0.803 112 E CB -0.116 29.557 29.700 -0.046 0.000 0.750 112 E HN 0.618 nan 8.360 nan 0.000 0.448 113 E N 0.422 120.542 120.200 -0.134 0.000 2.085 113 E HA -0.168 4.186 4.350 0.008 0.000 0.194 113 E C 1.774 178.082 176.600 -0.487 0.000 0.994 113 E CA 1.644 57.944 56.400 -0.166 0.000 0.801 113 E CB -0.409 29.257 29.700 -0.057 0.000 0.743 113 E HN 0.373 nan 8.360 nan 0.000 0.453 114 A N 0.326 122.732 122.820 -0.690 0.000 1.902 114 A HA -0.139 4.185 4.320 0.008 0.000 0.217 114 A C 2.300 179.563 177.584 -0.535 0.000 1.181 114 A CA 1.518 52.909 52.037 -1.078 0.000 0.623 114 A CB -0.722 17.987 19.000 -0.485 0.000 0.818 114 A HN 0.344 nan 8.150 nan 0.000 0.443 115 L N -0.804 120.243 121.223 -0.294 0.000 2.156 115 L HA -0.064 4.280 4.340 0.008 0.000 0.208 115 L C 2.693 179.472 176.870 -0.152 0.000 1.095 115 L CA 0.817 55.555 54.840 -0.171 0.000 0.770 115 L CB -0.694 41.290 42.059 -0.125 0.000 0.914 115 L HN 0.484 nan 8.230 nan 0.000 0.439 116 G N -1.287 107.407 108.800 -0.177 0.000 2.498 116 G HA2 -0.229 3.736 3.960 0.008 0.000 0.219 116 G HA3 -0.229 3.736 3.960 0.008 0.000 0.219 116 G C 0.909 175.629 174.900 -0.299 0.000 1.119 116 G CA 0.433 45.408 45.100 -0.209 0.000 0.766 116 G HN 0.460 nan 8.290 nan 0.000 0.552 117 H N -0.809 118.152 119.070 -0.181 0.000 2.549 117 H HA 0.366 4.927 4.556 0.009 0.000 0.279 117 H C 0.636 175.918 175.328 -0.077 0.000 1.018 117 H CA -0.495 55.509 56.048 -0.074 0.000 1.175 117 H CB 0.233 30.051 29.762 0.093 0.000 1.485 117 H HN 0.153 nan 8.280 nan 0.000 0.543 118 L N 1.598 122.803 121.223 -0.029 0.000 2.416 118 L HA 0.252 4.597 4.340 0.008 0.000 0.272 118 L C 0.237 177.040 176.870 -0.112 0.000 1.161 118 L CA 0.332 55.138 54.840 -0.057 0.000 0.845 118 L CB 0.621 42.651 42.059 -0.050 0.000 1.119 118 L HN 0.166 nan 8.230 nan 0.000 0.464 119 R N 4.131 124.524 120.500 -0.178 0.000 2.575 119 R HA 0.396 4.741 4.340 0.008 0.000 0.293 119 R C -2.558 173.702 176.300 -0.066 0.000 0.983 119 R CA -1.840 54.150 56.100 -0.184 0.000 0.887 119 R CB 2.133 32.202 30.300 -0.385 0.000 1.184 119 R HN 0.357 nan 8.270 nan 0.000 0.445 120 P HA 0.067 nan 4.420 nan 0.000 0.271 120 P C -1.065 176.310 177.300 0.125 0.000 1.220 120 P CA -0.307 62.827 63.100 0.058 0.000 0.768 120 P CB 1.014 32.736 31.700 0.036 0.000 0.848 121 L N 3.401 124.723 121.223 0.165 0.000 2.491 121 L HA 0.384 4.729 4.340 0.008 0.000 0.267 121 L C -0.380 176.573 176.870 0.138 0.000 0.971 121 L CA -0.370 54.562 54.840 0.154 0.000 0.857 121 L CB 1.446 43.597 42.059 0.153 0.000 1.226 121 L HN 0.195 nan 8.230 nan 0.000 0.408 122 E N 2.867 123.092 120.200 0.042 0.000 2.280 122 E HA 0.271 4.626 4.350 0.008 0.000 0.264 122 E C -0.920 175.652 176.600 -0.047 0.000 1.064 122 E CA -0.574 55.799 56.400 -0.044 0.000 0.900 122 E CB 0.555 30.253 29.700 -0.003 0.000 1.123 122 E HN 0.380 nan 8.360 nan 0.000 0.418 123 Y N 0.199 120.538 120.300 0.065 0.000 2.895 123 Y HA 0.120 4.674 4.550 0.008 0.000 0.334 123 Y C 1.800 177.648 175.900 -0.087 0.000 1.261 123 Y CA 1.597 59.685 58.100 -0.021 0.000 1.560 123 Y CB -0.175 38.243 38.460 -0.070 0.000 1.253 123 Y HN 0.782 nan 8.280 nan 0.000 0.582 124 G N 1.558 110.329 108.800 -0.048 0.000 2.148 124 G HA2 -0.275 3.690 3.960 0.008 0.000 0.254 124 G HA3 -0.275 3.690 3.960 0.008 0.000 0.254 124 G C -0.155 174.615 174.900 -0.216 0.000 0.981 124 G CA 0.008 45.010 45.100 -0.163 0.000 0.670 124 G HN 0.610 nan 8.290 nan 0.000 0.528 125 E N -0.743 119.322 120.200 -0.225 0.000 2.156 125 E HA 0.441 4.796 4.350 0.008 0.000 0.279 125 E C -0.519 175.933 176.600 -0.248 0.000 0.965 125 E CA -0.839 55.484 56.400 -0.130 0.000 0.789 125 E CB 0.903 30.576 29.700 -0.045 0.000 1.098 125 E HN 0.347 nan 8.360 nan 0.000 0.397 126 W N 3.177 124.448 121.300 -0.049 0.000 2.351 126 W HA 0.269 4.932 4.660 0.006 0.000 0.311 126 W C -0.271 176.176 176.519 -0.120 0.000 1.168 126 W CA -0.633 56.661 57.345 -0.083 0.000 1.200 126 W CB 0.653 30.082 29.460 -0.052 0.000 1.221 126 W HN 0.318 nan 8.180 nan 0.000 0.519 127 L N 4.988 126.250 121.223 0.066 0.000 2.309 127 L HA 0.560 4.904 4.340 0.008 0.000 0.282 127 L C -0.533 176.328 176.870 -0.015 0.000 1.036 127 L CA -1.017 53.762 54.840 -0.101 0.000 0.806 127 L CB 0.829 42.647 42.059 -0.401 0.000 1.220 127 L HN 0.285 nan 8.230 nan 0.000 0.429 128 R N 6.673 127.157 120.500 -0.027 0.000 2.320 128 R HA 0.518 4.862 4.340 0.008 0.000 0.319 128 R C -1.538 174.748 176.300 -0.024 0.000 0.969 128 R CA -0.424 55.668 56.100 -0.013 0.000 0.857 128 R CB 0.898 31.197 30.300 -0.003 0.000 1.160 128 R HN 0.672 nan 8.270 nan 0.000 0.491 129 L N 2.038 123.244 121.223 -0.028 0.000 2.325 129 L HA 0.428 4.772 4.340 0.008 0.000 0.281 129 L C 1.252 178.115 176.870 -0.011 0.000 1.004 129 L CA -0.488 54.341 54.840 -0.017 0.000 0.823 129 L CB 1.848 43.892 42.059 -0.025 0.000 1.236 129 L HN 0.833 nan 8.230 nan 0.000 0.415 130 G N 3.287 112.084 108.800 -0.006 0.000 2.634 130 G HA2 -0.380 3.584 3.960 0.008 0.000 0.318 130 G HA3 -0.380 3.584 3.960 0.008 0.000 0.318 130 G C 0.521 175.413 174.900 -0.014 0.000 1.207 130 G CA 0.633 45.728 45.100 -0.008 0.000 0.987 130 G HN 0.941 nan 8.290 nan 0.000 0.547 131 A N -1.152 121.659 122.820 -0.016 0.000 2.594 131 A HA 0.692 5.016 4.320 0.008 0.000 0.287 131 A C 0.227 177.796 177.584 -0.024 0.000 1.227 131 A CA 0.632 52.655 52.037 -0.023 0.000 0.952 131 A CB 0.271 19.258 19.000 -0.022 0.000 1.161 131 A HN 1.399 nan 8.150 nan 0.000 0.524 132 L N 0.654 121.867 121.223 -0.017 0.000 2.295 132 L HA 0.637 4.982 4.340 0.008 0.000 0.285 132 L C -0.379 176.494 176.870 0.005 0.000 1.035 132 L CA -0.009 54.827 54.840 -0.006 0.000 0.806 132 L CB 1.640 43.696 42.059 -0.004 0.000 1.214 132 L HN 0.041 nan 8.230 nan 0.000 0.426 133 S N 5.442 121.161 115.700 0.032 0.000 2.456 133 S HA 0.770 5.245 4.470 0.008 0.000 0.316 133 S C -0.838 173.941 174.600 0.298 0.000 1.089 133 S CA -0.397 57.868 58.200 0.108 0.000 1.101 133 S CB 0.971 64.128 63.200 -0.072 0.000 0.995 133 S HN 0.396 nan 8.310 nan 0.000 0.468 134 L N 2.656 124.061 121.223 0.304 0.000 2.381 134 L HA 0.917 5.261 4.340 0.008 0.000 0.268 134 L C -0.154 176.630 176.870 -0.143 0.000 0.997 134 L CA -0.254 54.654 54.840 0.114 0.000 0.818 134 L CB 1.757 43.758 42.059 -0.096 0.000 1.310 134 L HN 0.760 nan 8.230 nan 0.000 0.416 135 A N 1.611 124.173 122.820 -0.431 0.000 2.549 135 A HA 0.821 5.146 4.320 0.008 0.000 0.297 135 A C -1.595 175.753 177.584 -0.392 0.000 1.061 135 A CA -0.436 51.132 52.037 -0.781 0.000 0.690 135 A CB 0.959 18.904 19.000 -1.758 0.000 1.287 135 A HN 0.311 nan 8.150 nan 0.000 0.402 136 F N 0.890 120.634 119.950 -0.345 0.000 2.385 136 F HA 0.621 5.153 4.527 0.008 0.000 0.336 136 F C 1.075 176.681 175.800 -0.322 0.000 1.100 136 F CA -0.414 57.426 58.000 -0.267 0.000 1.116 136 F CB 1.928 40.775 39.000 -0.255 0.000 1.166 136 F HN 0.703 nan 8.300 nan 0.000 0.511 137 G N 1.531 110.040 108.800 -0.485 0.000 2.482 137 G HA2 0.430 4.395 3.960 0.008 0.000 0.317 137 G HA3 0.430 4.395 3.960 0.008 0.000 0.317 137 G C -1.328 172.993 174.900 -0.965 0.000 1.241 137 G CA -0.770 43.703 45.100 -1.045 0.000 0.967 137 G HN 0.448 nan 8.290 nan 0.000 0.482 138 Q N 0.610 120.079 119.800 -0.552 0.000 2.239 138 Q HA 0.380 4.725 4.340 0.008 0.000 0.286 138 Q C 0.888 176.806 176.000 -0.137 0.000 1.102 138 Q CA 0.895 56.418 55.803 -0.467 0.000 0.936 138 Q CB 1.008 29.489 28.738 -0.429 0.000 1.127 138 Q HN 0.609 nan 8.270 nan 0.000 0.380 139 A N 3.749 126.516 122.820 -0.088 0.000 2.140 139 A HA 0.387 4.712 4.320 0.008 0.000 0.209 139 A C 1.359 178.916 177.584 -0.044 0.000 1.181 139 A CA 0.484 52.538 52.037 0.030 0.000 0.824 139 A CB -0.440 18.554 19.000 -0.010 0.000 0.879 139 A HN 1.385 nan 8.150 nan 0.000 0.480 140 G N -0.699 108.050 108.800 -0.085 0.000 2.305 140 G HA2 -0.349 3.615 3.960 0.008 0.000 0.287 140 G HA3 -0.349 3.615 3.960 0.008 0.000 0.287 140 G C 0.434 175.280 174.900 -0.090 0.000 1.036 140 G CA 1.306 46.350 45.100 -0.093 0.000 0.887 140 G HN 0.980 nan 8.290 nan 0.000 0.505 141 H N -1.711 117.219 119.070 -0.235 0.000 2.855 141 H HA 0.678 5.239 4.556 0.008 0.000 0.259 141 H C 0.536 175.674 175.328 -0.317 0.000 0.972 141 H CA 0.545 56.407 56.048 -0.310 0.000 1.213 141 H CB 0.422 29.921 29.762 -0.439 0.000 1.451 141 H HN 0.393 nan 8.280 nan 0.000 0.484 142 L N 0.647 121.649 121.223 -0.368 0.000 2.582 142 L HA 0.394 4.738 4.340 0.008 0.000 0.257 142 L C -2.672 174.026 176.870 -0.286 0.000 0.974 142 L CA -2.234 52.390 54.840 -0.360 0.000 0.851 142 L CB 2.177 44.013 42.059 -0.372 0.000 1.424 142 L HN -0.078 nan 8.230 nan 0.000 0.412 143 P HA 0.252 nan 4.420 nan 0.000 0.260 143 P C 0.579 177.585 177.300 -0.490 0.000 1.185 143 P CA 1.239 64.043 63.100 -0.493 0.000 0.763 143 P CB 0.402 31.700 31.700 -0.670 0.000 0.776 144 G N 2.173 110.723 108.800 -0.416 0.000 2.159 144 G HA2 -0.244 3.721 3.960 0.008 0.000 0.256 144 G HA3 -0.244 3.721 3.960 0.008 0.000 0.256 144 G C 0.343 175.087 174.900 -0.260 0.000 0.977 144 G CA 0.210 45.017 45.100 -0.488 0.000 0.652 144 G HN 0.787 nan 8.290 nan 0.000 0.531 145 S N -0.250 115.366 115.700 -0.140 0.000 2.580 145 S HA 0.855 5.330 4.470 0.008 0.000 0.274 145 S C 0.275 174.826 174.600 -0.081 0.000 1.329 145 S CA 0.885 59.005 58.200 -0.134 0.000 1.036 145 S CB 2.133 65.248 63.200 -0.141 0.000 0.919 145 S HN 2.057 nan 8.310 nan 0.000 0.515 146 A N 1.939 124.635 122.820 -0.208 0.000 2.593 146 A HA 0.802 5.126 4.320 0.008 0.000 0.290 146 A C -0.762 176.752 177.584 -0.117 0.000 1.126 146 A CA -1.152 50.749 52.037 -0.227 0.000 0.695 146 A CB 0.813 19.486 19.000 -0.545 0.000 1.290 146 A HN 1.269 nan 8.150 nan 0.000 0.414 147 F N -0.702 119.266 119.950 0.030 0.000 2.541 147 F HA 0.847 5.379 4.527 0.007 0.000 0.331 147 F C -0.507 175.423 175.800 0.215 0.000 1.057 147 F CA -1.298 56.718 58.000 0.028 0.000 0.975 147 F CB 1.321 40.377 39.000 0.094 0.000 1.246 147 F HN 0.274 nan 8.300 nan 0.000 0.484 148 V N 2.554 122.787 119.914 0.532 0.000 2.435 148 V HA 0.464 4.589 4.120 0.008 0.000 0.290 148 V C -0.495 175.850 176.094 0.419 0.000 1.030 148 V CA -0.820 61.752 62.300 0.453 0.000 0.881 148 V CB 1.509 33.588 31.823 0.427 0.000 0.983 148 V HN 0.714 nan 8.190 nan 0.000 0.445 149 V N 4.251 124.335 119.914 0.284 0.000 2.384 149 V HA 0.795 4.920 4.120 0.008 0.000 0.287 149 V C 0.220 176.433 176.094 0.199 0.000 1.020 149 V CA -0.375 62.078 62.300 0.256 0.000 0.850 149 V CB 1.542 33.515 31.823 0.250 0.000 0.987 149 V HN 0.986 nan 8.190 nan 0.000 0.436 150 A N 4.843 127.779 122.820 0.192 0.000 2.343 150 A HA 0.809 5.133 4.320 0.008 0.000 0.308 150 A C -0.743 176.925 177.584 0.141 0.000 1.092 150 A CA -0.553 51.580 52.037 0.160 0.000 0.751 150 A CB 1.683 20.746 19.000 0.104 0.000 1.203 150 A HN 0.611 nan 8.150 nan 0.000 0.452 151 Q N 1.564 121.447 119.800 0.139 0.000 2.375 151 Q HA 0.717 5.062 4.340 0.008 0.000 0.271 151 Q C -0.605 175.411 176.000 0.026 0.000 1.074 151 Q CA -0.110 55.737 55.803 0.073 0.000 0.808 151 Q CB 2.215 30.990 28.738 0.062 0.000 1.327 151 Q HN 1.594 nan 8.270 nan 0.000 0.441 152 G N 1.550 110.354 108.800 0.007 0.000 2.361 152 G HA2 0.249 4.214 3.960 0.008 0.000 0.299 152 G HA3 0.249 4.214 3.960 0.008 0.000 0.299 152 G C -1.243 173.652 174.900 -0.008 0.000 1.544 152 G CA -0.330 44.765 45.100 -0.008 0.000 0.860 152 G HN 0.667 nan 8.290 nan 0.000 0.610 153 E N -0.994 119.197 120.200 -0.014 0.000 2.389 153 E HA -0.218 4.136 4.350 0.008 0.000 0.243 153 E C 1.435 178.028 176.600 -0.012 0.000 1.154 153 E CA 1.396 57.789 56.400 -0.013 0.000 0.723 153 E CB -1.301 28.394 29.700 -0.009 0.000 1.261 153 E HN 2.541 nan 8.360 nan 0.000 0.390 154 G N 0.022 108.812 108.800 -0.016 0.000 2.187 154 G HA2 -0.388 3.577 3.960 0.008 0.000 0.261 154 G HA3 -0.388 3.577 3.960 0.008 0.000 0.261 154 G C 0.214 175.108 174.900 -0.010 0.000 1.000 154 G CA 1.127 46.217 45.100 -0.016 0.000 0.718 154 G HN 0.342 nan 8.290 nan 0.000 0.519 155 R N -1.209 119.288 120.500 -0.004 0.000 2.867 155 R HA 0.710 5.054 4.340 0.008 0.000 0.268 155 R C -1.084 175.225 176.300 0.016 0.000 1.014 155 R CA -0.682 55.420 56.100 0.003 0.000 0.946 155 R CB 1.560 31.861 30.300 0.002 0.000 1.208 155 R HN 0.096 nan 8.270 nan 0.000 0.477 156 T N 1.888 116.456 114.554 0.023 0.000 2.824 156 T HA 0.480 4.835 4.350 0.008 0.000 0.282 156 T C -1.182 173.544 174.700 0.044 0.000 0.993 156 T CA -0.594 61.532 62.100 0.045 0.000 0.967 156 T CB 1.296 70.192 68.868 0.048 0.000 0.960 156 T HN 0.345 nan 8.240 nan 0.000 0.441 157 L N 3.835 125.098 121.223 0.068 0.000 2.370 157 L HA 0.922 5.266 4.340 0.008 0.000 0.266 157 L C -1.588 175.352 176.870 0.116 0.000 1.002 157 L CA -0.619 54.264 54.840 0.071 0.000 0.818 157 L CB 1.959 44.055 42.059 0.062 0.000 1.325 157 L HN 0.437 nan 8.230 nan 0.000 0.418 158 V N 4.442 124.428 119.914 0.121 0.000 2.525 158 V HA 0.322 4.446 4.120 0.008 0.000 0.299 158 V C -1.341 174.910 176.094 0.262 0.000 1.034 158 V CA -0.419 61.989 62.300 0.180 0.000 0.863 158 V CB 1.485 33.342 31.823 0.057 0.000 0.999 158 V HN 0.735 nan 8.190 nan 0.000 0.423 159 Y N 4.410 124.822 120.300 0.188 0.000 2.369 159 Y HA 0.317 4.873 4.550 0.009 0.000 0.337 159 Y C 1.546 177.599 175.900 0.254 0.000 0.961 159 Y CA -0.097 58.099 58.100 0.159 0.000 1.186 159 Y CB 1.874 40.419 38.460 0.142 0.000 1.139 159 Y HN 0.790 nan 8.280 nan 0.000 0.494 160 S N 4.062 119.783 115.700 0.035 0.000 2.399 160 S HA 0.114 4.589 4.470 0.008 0.000 0.231 160 S C 1.282 175.650 174.600 -0.388 0.000 1.022 160 S CA 0.771 58.884 58.200 -0.146 0.000 0.983 160 S CB -0.833 62.194 63.200 -0.289 0.000 0.803 160 S HN 1.458 nan 8.310 nan 0.000 0.480 161 G N 1.444 109.730 108.800 -0.857 0.000 2.601 161 G HA2 -0.194 3.770 3.960 0.008 0.000 0.252 161 G HA3 -0.194 3.770 3.960 0.008 0.000 0.252 161 G C -1.225 173.507 174.900 -0.279 0.000 1.294 161 G CA 0.057 44.809 45.100 -0.579 0.000 0.912 161 G HN 0.507 nan 8.290 nan 0.000 0.574 162 D N 0.816 121.060 120.400 -0.260 0.000 2.225 162 D HA 0.558 5.203 4.640 0.008 0.000 0.248 162 D C 0.537 176.566 176.300 -0.451 0.000 1.096 162 D CA -0.373 53.358 54.000 -0.447 0.000 0.863 162 D CB 1.212 41.507 40.800 -0.841 0.000 1.156 162 D HN 0.330 nan 8.370 nan 0.000 0.450 163 L N 1.693 122.693 121.223 -0.371 0.000 2.334 163 L HA 0.500 4.845 4.340 0.008 0.000 0.277 163 L C 1.341 178.106 176.870 -0.174 0.000 1.075 163 L CA -0.467 54.170 54.840 -0.339 0.000 0.804 163 L CB 0.986 42.716 42.059 -0.549 0.000 1.174 163 L HN 0.340 nan 8.230 nan 0.000 0.438 164 G N 1.201 109.943 108.800 -0.096 0.000 2.588 164 G HA2 0.103 4.067 3.960 0.008 0.000 0.281 164 G HA3 0.103 4.067 3.960 0.008 0.000 0.281 164 G C -0.063 174.832 174.900 -0.008 0.000 1.236 164 G CA -0.568 44.521 45.100 -0.019 0.000 0.969 164 G HN 0.763 nan 8.290 nan 0.000 0.504 165 N N -0.448 118.251 118.700 -0.002 0.000 2.521 165 N HA 0.081 4.826 4.740 0.008 0.000 0.236 165 N C 1.852 177.338 175.510 -0.040 0.000 1.067 165 N CA -0.515 52.543 53.050 0.014 0.000 0.939 165 N CB 0.319 38.802 38.487 -0.007 0.000 1.201 165 N HN 0.584 nan 8.380 nan 0.000 0.511 166 R N 2.459 122.952 120.500 -0.012 0.000 2.261 166 R HA -0.165 4.179 4.340 0.008 0.000 0.236 166 R C 0.485 176.757 176.300 -0.046 0.000 1.141 166 R CA 1.327 57.415 56.100 -0.021 0.000 1.001 166 R CB -0.157 30.155 30.300 0.019 0.000 0.866 166 R HN 0.610 nan 8.270 nan 0.000 0.468 167 E N 0.908 121.074 120.200 -0.056 0.000 2.358 167 E HA -0.001 4.353 4.350 0.008 0.000 0.195 167 E C 0.019 176.448 176.600 -0.284 0.000 1.010 167 E CA 0.427 56.791 56.400 -0.060 0.000 0.856 167 E CB 0.234 29.960 29.700 0.043 0.000 0.795 167 E HN 0.403 nan 8.360 nan 0.000 0.504 168 K N 0.792 120.895 120.400 -0.496 0.000 2.120 168 K HA 0.062 4.386 4.320 0.008 0.000 0.245 168 K C 0.209 176.601 176.600 -0.348 0.000 1.024 168 K CA -0.194 55.565 56.287 -0.880 0.000 0.906 168 K CB 0.541 32.630 32.500 -0.684 0.000 1.051 168 K HN -0.105 nan 8.250 nan 0.000 0.491 169 D N 0.180 120.464 120.400 -0.193 0.000 2.338 169 D HA -0.032 4.612 4.640 0.008 0.000 0.208 169 D C 1.807 178.057 176.300 -0.083 0.000 0.997 169 D CA 0.460 54.461 54.000 0.001 0.000 0.880 169 D CB 0.080 41.028 40.800 0.247 0.000 0.980 169 D HN 0.124 nan 8.370 nan 0.000 0.509 170 V N 1.141 120.978 119.914 -0.128 0.000 2.237 170 V HA -0.138 3.987 4.120 0.008 0.000 0.245 170 V C 1.044 177.196 176.094 0.096 0.000 1.046 170 V CA 1.024 63.253 62.300 -0.118 0.000 1.007 170 V CB -0.252 31.589 31.823 0.030 0.000 0.638 170 V HN 0.105 nan 8.190 nan 0.000 0.445 171 L N 1.031 122.285 121.223 0.052 0.000 2.421 171 L HA 0.413 4.757 4.340 0.008 0.000 0.263 171 L C -2.073 174.785 176.870 -0.019 0.000 1.122 171 L CA -2.445 52.409 54.840 0.024 0.000 0.804 171 L CB 0.040 42.066 42.059 -0.055 0.000 1.150 171 L HN 0.113 nan 8.230 nan 0.000 0.457 172 P HA 0.098 nan 4.420 nan 0.000 0.274 172 P C -0.920 176.345 177.300 -0.058 0.000 1.231 172 P CA -0.626 62.441 63.100 -0.055 0.000 0.790 172 P CB 0.646 32.291 31.700 -0.092 0.000 0.951 173 D N 2.226 122.605 120.400 -0.035 0.000 2.449 173 D HA 0.108 4.752 4.640 0.008 0.000 0.236 173 D C -1.957 174.346 176.300 0.004 0.000 1.149 173 D CA -0.568 53.426 54.000 -0.010 0.000 0.878 173 D CB -0.750 40.059 40.800 0.015 0.000 1.198 173 D HN 0.221 nan 8.370 nan 0.000 0.446 174 P HA 0.027 nan 4.420 nan 0.000 0.268 174 P C -0.291 177.141 177.300 0.221 0.000 1.205 174 P CA -0.076 63.087 63.100 0.106 0.000 0.771 174 P CB 0.668 32.403 31.700 0.058 0.000 0.858 175 S N 2.761 118.662 115.700 0.336 0.000 2.617 175 S HA 0.334 4.809 4.470 0.008 0.000 0.269 175 S C -0.081 174.820 174.600 0.501 0.000 1.292 175 S CA -0.658 57.754 58.200 0.353 0.000 1.010 175 S CB -0.067 63.330 63.200 0.328 0.000 0.944 175 S HN 0.226 nan 8.310 nan 0.000 0.536 176 L N 4.457 125.816 121.223 0.227 0.000 2.417 176 L HA 0.410 4.755 4.340 0.008 0.000 0.268 176 L C -1.686 175.088 176.870 -0.160 0.000 1.158 176 L CA -1.793 53.009 54.840 -0.064 0.000 0.819 176 L CB 0.602 42.595 42.059 -0.109 0.000 1.112 176 L HN 0.600 nan 8.230 nan 0.000 0.458 177 P HA 0.293 nan 4.420 nan 0.000 0.279 177 P C -2.651 174.465 177.300 -0.306 0.000 1.252 177 P CA -1.532 61.197 63.100 -0.619 0.000 0.811 177 P CB 0.407 31.385 31.700 -1.204 0.000 1.035 178 P HA 0.167 nan 4.420 nan 0.000 0.274 178 P C -0.267 176.969 177.300 -0.107 0.000 1.256 178 P CA -0.495 62.575 63.100 -0.049 0.000 0.795 178 P CB 0.484 32.221 31.700 0.060 0.000 1.038 179 L N 0.674 121.854 121.223 -0.072 0.000 2.462 179 L HA 0.379 4.724 4.340 0.008 0.000 0.272 179 L C -0.093 176.746 176.870 -0.052 0.000 1.166 179 L CA 0.443 55.236 54.840 -0.078 0.000 0.880 179 L CB -0.699 41.329 42.059 -0.051 0.000 1.142 179 L HN 0.573 nan 8.230 nan 0.000 0.473 180 A N 3.815 126.597 122.820 -0.064 0.000 2.475 180 A HA 0.460 4.785 4.320 0.008 0.000 0.301 180 A C 0.453 178.021 177.584 -0.027 0.000 1.059 180 A CA -0.603 51.415 52.037 -0.032 0.000 0.710 180 A CB 0.774 19.758 19.000 -0.027 0.000 1.288 180 A HN 0.755 nan 8.150 nan 0.000 0.408 181 D N -0.139 120.255 120.400 -0.011 0.000 2.144 181 D HA -0.044 4.601 4.640 0.008 0.000 0.199 181 D C 0.148 176.442 176.300 -0.010 0.000 0.984 181 D CA 1.809 55.803 54.000 -0.010 0.000 0.834 181 D CB 0.086 40.883 40.800 -0.004 0.000 0.955 181 D HN 0.319 nan 8.370 nan 0.000 0.465 182 L N -0.035 121.186 121.223 -0.003 0.000 2.455 182 L HA 0.365 4.710 4.340 0.008 0.000 0.264 182 L C -1.532 175.345 176.870 0.011 0.000 0.968 182 L CA -0.709 54.131 54.840 0.000 0.000 0.827 182 L CB 2.634 44.693 42.059 0.001 0.000 1.317 182 L HN -0.344 nan 8.230 nan 0.000 0.407 183 V N 5.243 125.167 119.914 0.016 0.000 2.443 183 V HA 0.464 4.589 4.120 0.008 0.000 0.293 183 V C -0.720 175.418 176.094 0.072 0.000 1.021 183 V CA -0.526 61.803 62.300 0.048 0.000 0.848 183 V CB 1.630 33.466 31.823 0.023 0.000 0.998 183 V HN 0.649 nan 8.190 nan 0.000 0.424 184 L N 5.308 126.595 121.223 0.106 0.000 2.264 184 L HA 0.896 5.241 4.340 0.008 0.000 0.289 184 L C 0.156 177.129 176.870 0.172 0.000 1.044 184 L CA 0.366 55.255 54.840 0.081 0.000 0.807 184 L CB 0.921 42.978 42.059 -0.003 0.000 1.192 184 L HN 0.809 nan 8.230 nan 0.000 0.425 185 A N 3.908 126.806 122.820 0.131 0.000 2.515 185 A HA 0.719 5.044 4.320 0.008 0.000 0.296 185 A C -0.956 176.682 177.584 0.092 0.000 1.094 185 A CA -0.687 51.426 52.037 0.127 0.000 0.718 185 A CB 1.153 20.255 19.000 0.171 0.000 1.307 185 A HN 0.761 nan 8.150 nan 0.000 0.408 186 E N -0.147 120.073 120.200 0.034 0.000 2.345 186 E HA 0.581 4.935 4.350 0.008 0.000 0.259 186 E C 0.350 176.968 176.600 0.032 0.000 1.117 186 E CA -0.192 56.232 56.400 0.040 0.000 0.913 186 E CB 0.978 30.607 29.700 -0.119 0.000 1.057 186 E HN 0.942 nan 8.360 nan 0.000 0.432 187 G N 0.793 109.624 108.800 0.051 0.000 5.102 187 G HA2 0.069 4.034 3.960 0.008 0.000 0.212 187 G HA3 0.069 4.034 3.960 0.008 0.000 0.212 187 G C 0.383 175.274 174.900 -0.016 0.000 0.832 187 G CA -0.102 45.014 45.100 0.027 0.000 0.718 187 G HN 0.471 nan 8.290 nan 0.000 0.506 188 T N 0.127 114.648 114.554 -0.056 0.000 2.665 188 T HA -0.187 4.168 4.350 0.008 0.000 0.268 188 T C 0.840 175.277 174.700 -0.439 0.000 1.035 188 T CA 1.356 63.308 62.100 -0.247 0.000 1.151 188 T CB -0.175 68.388 68.868 -0.509 0.000 0.862 188 T HN 0.381 nan 8.240 nan 0.000 0.438 189 Y N 0.759 121.047 120.300 -0.021 0.000 2.602 189 Y HA 0.519 5.074 4.550 0.008 0.000 0.373 189 Y C 1.574 177.440 175.900 -0.056 0.000 0.960 189 Y CA -1.000 57.076 58.100 -0.039 0.000 1.281 189 Y CB 0.313 38.746 38.460 -0.045 0.000 1.308 189 Y HN 0.176 nan 8.280 nan 0.000 0.595 190 G N -0.189 108.626 108.800 0.024 0.000 2.650 190 G HA2 -0.193 3.771 3.960 0.008 0.000 0.214 190 G HA3 -0.193 3.771 3.960 0.008 0.000 0.214 190 G C 1.210 176.118 174.900 0.014 0.000 1.136 190 G CA 0.914 46.028 45.100 0.024 0.000 0.789 190 G HN 0.523 nan 8.290 nan 0.000 0.536 191 D N 0.073 120.477 120.400 0.006 0.000 2.327 191 D HA 0.071 4.716 4.640 0.008 0.000 0.205 191 D C 1.047 177.344 176.300 -0.004 0.000 0.989 191 D CA 0.027 54.025 54.000 -0.003 0.000 0.873 191 D CB 0.153 40.943 40.800 -0.017 0.000 0.955 191 D HN 0.464 nan 8.370 nan 0.000 0.515 192 R N -1.094 119.404 120.500 -0.004 0.000 2.663 192 R HA 0.561 4.905 4.340 0.008 0.000 0.267 192 R C -3.121 173.109 176.300 -0.116 0.000 1.038 192 R CA -1.486 54.592 56.100 -0.038 0.000 0.886 192 R CB 0.346 30.625 30.300 -0.036 0.000 1.249 192 R HN -0.218 nan 8.270 nan 0.000 0.463 193 P HA 0.245 nan 4.420 nan 0.000 0.278 193 P C -0.848 176.352 177.300 -0.166 0.000 1.258 193 P CA -0.314 62.692 63.100 -0.157 0.000 0.811 193 P CB 0.692 32.367 31.700 -0.041 0.000 1.063 194 H N 0.077 119.172 119.070 0.041 0.000 2.495 194 H HA 0.277 4.838 4.556 0.008 0.000 0.350 194 H C 0.694 176.059 175.328 0.061 0.000 1.202 194 H CA -0.360 55.730 56.048 0.071 0.000 1.322 194 H CB 0.809 30.594 29.762 0.039 0.000 1.544 194 H HN 0.426 nan 8.280 nan 0.000 0.565 195 R N 1.666 122.293 120.500 0.213 0.000 2.679 195 R HA 0.098 4.443 4.340 0.008 0.000 0.268 195 R C -2.353 173.996 176.300 0.082 0.000 1.044 195 R CA -1.124 55.039 56.100 0.106 0.000 1.105 195 R CB -0.090 30.248 30.300 0.062 0.000 0.989 195 R HN 0.316 nan 8.270 nan 0.000 0.447 196 P HA -0.107 nan 4.420 nan 0.000 0.266 196 P C -0.614 176.712 177.300 0.044 0.000 1.193 196 P CA 0.347 63.487 63.100 0.067 0.000 0.770 196 P CB 0.271 32.000 31.700 0.047 0.000 0.836 197 Y N 3.507 123.775 120.300 -0.054 0.000 2.163 197 Y HA -0.230 4.325 4.550 0.008 0.000 0.288 197 Y C 2.315 178.157 175.900 -0.096 0.000 1.136 197 Y CA 1.431 59.466 58.100 -0.108 0.000 1.147 197 Y CB 0.004 38.435 38.460 -0.048 0.000 0.987 197 Y HN 0.212 nan 8.280 nan 0.000 0.509 198 R N 0.383 120.845 120.500 -0.063 0.000 2.096 198 R HA -0.228 4.117 4.340 0.008 0.000 0.240 198 R C 2.275 178.474 176.300 -0.168 0.000 1.139 198 R CA 2.094 58.121 56.100 -0.123 0.000 0.952 198 R CB -0.493 29.814 30.300 0.011 0.000 0.854 198 R HN 0.653 nan 8.270 nan 0.000 0.436 199 E N -0.294 119.838 120.200 -0.113 0.000 2.274 199 E HA -0.092 4.263 4.350 0.008 0.000 0.194 199 E C 1.189 177.697 176.600 -0.153 0.000 0.996 199 E CA 1.334 57.675 56.400 -0.099 0.000 0.840 199 E CB -0.042 29.630 29.700 -0.047 0.000 0.772 199 E HN 0.128 nan 8.360 nan 0.000 0.491 200 T N 0.845 115.243 114.554 -0.261 0.000 2.857 200 T HA -0.054 4.301 4.350 0.008 0.000 0.266 200 T C 1.985 176.443 174.700 -0.403 0.000 1.048 200 T CA 1.122 62.999 62.100 -0.372 0.000 1.139 200 T CB -0.028 68.490 68.868 -0.584 0.000 0.874 200 T HN 0.048 nan 8.240 nan 0.000 0.455 201 V N 1.584 121.213 119.914 -0.475 0.000 2.307 201 V HA -0.142 3.983 4.120 0.008 0.000 0.245 201 V C 2.616 178.645 176.094 -0.108 0.000 1.045 201 V CA 1.525 63.664 62.300 -0.269 0.000 1.024 201 V CB -0.552 31.069 31.823 -0.336 0.000 0.651 201 V HN 0.366 nan 8.190 nan 0.000 0.449 202 R N -0.136 120.278 120.500 -0.143 0.000 2.091 202 R HA -0.227 4.117 4.340 0.008 0.000 0.238 202 R C 2.401 178.662 176.300 -0.065 0.000 1.136 202 R CA 1.901 57.936 56.100 -0.109 0.000 0.959 202 R CB -0.324 29.925 30.300 -0.084 0.000 0.856 202 R HN 0.642 nan 8.270 nan 0.000 0.437 203 E N 0.223 120.401 120.200 -0.038 0.000 2.077 203 E HA -0.206 4.149 4.350 0.008 0.000 0.193 203 E C 1.728 178.356 176.600 0.046 0.000 0.989 203 E CA 0.952 57.354 56.400 0.005 0.000 0.800 203 E CB -0.125 29.589 29.700 0.024 0.000 0.746 203 E HN 0.305 nan 8.360 nan 0.000 0.452 204 F N 1.014 120.914 119.950 -0.083 0.000 2.095 204 F HA -0.226 4.306 4.527 0.008 0.000 0.298 204 F C 1.937 177.682 175.800 -0.092 0.000 1.104 204 F CA 1.202 59.180 58.000 -0.036 0.000 1.232 204 F CB 0.032 39.097 39.000 0.109 0.000 0.987 204 F HN 0.017 nan 8.300 nan 0.000 0.475 205 L N 0.038 121.167 121.223 -0.156 0.000 2.131 205 L HA -0.209 4.135 4.340 0.008 0.000 0.210 205 L C 2.237 178.956 176.870 -0.252 0.000 1.092 205 L CA 1.502 56.164 54.840 -0.296 0.000 0.759 205 L CB -0.711 41.185 42.059 -0.271 0.000 0.903 205 L HN 0.222 nan 8.230 nan 0.000 0.435 206 E N 0.384 120.482 120.200 -0.170 0.000 2.047 206 E HA -0.181 4.173 4.350 0.008 0.000 0.191 206 E C 2.290 178.795 176.600 -0.160 0.000 0.987 206 E CA 1.085 57.406 56.400 -0.132 0.000 0.799 206 E CB -0.086 29.570 29.700 -0.074 0.000 0.752 206 E HN 0.454 nan 8.360 nan 0.000 0.449 207 I N 1.140 121.590 120.570 -0.200 0.000 2.264 207 I HA -0.299 3.875 4.170 0.008 0.000 0.248 207 I C 2.353 178.302 176.117 -0.280 0.000 1.111 207 I CA 1.034 62.173 61.300 -0.269 0.000 1.382 207 I CB -0.259 37.486 38.000 -0.425 0.000 1.060 207 I HN 0.128 nan 8.210 nan 0.000 0.418 208 L N 0.274 121.278 121.223 -0.365 0.000 2.005 208 L HA -0.206 4.139 4.340 0.008 0.000 0.207 208 L C 2.576 179.305 176.870 -0.235 0.000 1.072 208 L CA 1.579 56.204 54.840 -0.359 0.000 0.744 208 L CB -0.546 41.203 42.059 -0.517 0.000 0.895 208 L HN 0.221 nan 8.230 nan 0.000 0.433 209 E N -0.205 119.869 120.200 -0.209 0.000 2.118 209 E HA -0.276 4.079 4.350 0.008 0.000 0.195 209 E C 2.022 178.553 176.600 -0.115 0.000 0.992 209 E CA 1.133 57.443 56.400 -0.150 0.000 0.804 209 E CB 0.077 29.697 29.700 -0.133 0.000 0.741 209 E HN 0.168 nan 8.360 nan 0.000 0.458 210 K N 0.441 120.774 120.400 -0.112 0.000 1.973 210 K HA -0.154 4.171 4.320 0.008 0.000 0.212 210 K C 2.322 178.879 176.600 -0.071 0.000 1.047 210 K CA 2.282 58.522 56.287 -0.078 0.000 0.937 210 K CB -0.841 31.620 32.500 -0.065 0.000 0.721 210 K HN 0.208 nan 8.250 nan 0.000 0.440 211 T N -0.790 113.712 114.554 -0.087 0.000 2.867 211 T HA -0.069 4.286 4.350 0.008 0.000 0.268 211 T C 1.993 176.653 174.700 -0.067 0.000 1.057 211 T CA 1.334 63.393 62.100 -0.068 0.000 1.136 211 T CB -0.341 68.482 68.868 -0.076 0.000 0.874 211 T HN 0.192 nan 8.240 nan 0.000 0.466 212 L N 0.856 122.025 121.223 -0.089 0.000 2.056 212 L HA 0.007 4.351 4.340 0.008 0.000 0.207 212 L C 3.187 180.020 176.870 -0.061 0.000 1.078 212 L CA 1.165 55.959 54.840 -0.078 0.000 0.749 212 L CB -0.722 41.276 42.059 -0.101 0.000 0.901 212 L HN 0.279 nan 8.230 nan 0.000 0.433 213 S N -0.100 115.562 115.700 -0.064 0.000 2.419 213 S HA -0.213 4.262 4.470 0.008 0.000 0.235 213 S C 1.593 176.171 174.600 -0.037 0.000 1.019 213 S CA 1.341 59.511 58.200 -0.050 0.000 0.982 213 S CB -0.234 62.935 63.200 -0.051 0.000 0.789 213 S HN 0.592 nan 8.310 nan 0.000 0.490 214 Q N -0.036 119.744 119.800 -0.034 0.000 2.222 214 Q HA 0.439 4.783 4.340 0.008 0.000 0.206 214 Q C 0.888 176.877 176.000 -0.018 0.000 0.877 214 Q CA 0.340 56.130 55.803 -0.023 0.000 0.958 214 Q CB 0.050 28.777 28.738 -0.018 0.000 1.075 214 Q HN 0.314 nan 8.270 nan 0.000 0.483 215 G N 0.153 108.940 108.800 -0.022 0.000 2.160 215 G HA2 -0.260 3.704 3.960 0.008 0.000 0.251 215 G HA3 -0.260 3.704 3.960 0.008 0.000 0.251 215 G C 0.297 175.190 174.900 -0.011 0.000 1.008 215 G CA -0.106 44.985 45.100 -0.015 0.000 0.724 215 G HN 0.695 nan 8.290 nan 0.000 0.514 216 G N -0.920 107.869 108.800 -0.018 0.000 2.522 216 G HA2 0.621 4.586 3.960 0.008 0.000 0.304 216 G HA3 0.621 4.586 3.960 0.008 0.000 0.304 216 G C -0.160 174.728 174.900 -0.020 0.000 1.210 216 G CA -0.768 44.323 45.100 -0.015 0.000 0.960 216 G HN 0.365 nan 8.290 nan 0.000 0.497 217 K N -0.319 120.072 120.400 -0.015 0.000 2.206 217 K HA 0.461 4.786 4.320 0.008 0.000 0.264 217 K C -1.028 175.548 176.600 -0.040 0.000 0.967 217 K CA -0.590 55.685 56.287 -0.020 0.000 0.844 217 K CB 2.506 35.003 32.500 -0.006 0.000 1.099 217 K HN 0.143 nan 8.250 nan 0.000 0.441 218 V N 4.992 124.871 119.914 -0.058 0.000 2.318 218 V HA 0.151 4.276 4.120 0.008 0.000 0.271 218 V C -0.599 175.450 176.094 -0.075 0.000 1.030 218 V CA -0.829 61.424 62.300 -0.078 0.000 0.844 218 V CB 0.749 32.505 31.823 -0.112 0.000 1.015 218 V HN 0.504 nan 8.190 nan 0.000 0.460 219 L N 6.917 128.090 121.223 -0.083 0.000 2.265 219 L HA 0.532 4.877 4.340 0.008 0.000 0.288 219 L C -0.053 176.744 176.870 -0.121 0.000 1.058 219 L CA -0.067 54.709 54.840 -0.105 0.000 0.809 219 L CB 0.988 42.997 42.059 -0.084 0.000 1.179 219 L HN 0.465 nan 8.230 nan 0.000 0.429 220 I N 6.163 126.669 120.570 -0.107 0.000 2.466 220 I HA 0.264 4.438 4.170 0.008 0.000 0.279 220 I C -2.216 173.840 176.117 -0.102 0.000 1.033 220 I CA -1.681 59.556 61.300 -0.105 0.000 1.123 220 I CB 2.051 40.020 38.000 -0.051 0.000 1.237 220 I HN 0.364 nan 8.210 nan 0.000 0.460 221 P HA 0.138 nan 4.420 nan 0.000 0.271 221 P C -0.494 176.736 177.300 -0.116 0.000 1.226 221 P CA 0.196 63.265 63.100 -0.051 0.000 0.765 221 P CB 0.930 32.646 31.700 0.027 0.000 0.835 222 T N 0.204 114.692 114.554 -0.111 0.000 2.900 222 T HA 0.539 4.894 4.350 0.008 0.000 0.303 222 T C -0.308 174.355 174.700 -0.062 0.000 1.142 222 T CA -0.775 61.212 62.100 -0.188 0.000 1.007 222 T CB 0.739 69.534 68.868 -0.122 0.000 1.156 222 T HN 0.091 nan 8.240 nan 0.000 0.490 223 F N 1.090 121.059 119.950 0.033 0.000 2.443 223 F HA 0.476 5.008 4.527 0.008 0.000 0.353 223 F C 1.849 177.655 175.800 0.010 0.000 1.101 223 F CA -0.972 57.052 58.000 0.040 0.000 1.226 223 F CB 0.919 39.949 39.000 0.050 0.000 1.140 223 F HN 0.891 nan 8.300 nan 0.000 0.557 224 A N 3.188 126.137 122.820 0.216 0.000 1.968 224 A HA -0.032 4.292 4.320 0.008 0.000 0.217 224 A C 1.974 179.590 177.584 0.053 0.000 1.169 224 A CA 0.998 53.092 52.037 0.095 0.000 0.638 224 A CB -0.577 18.467 19.000 0.073 0.000 0.812 224 A HN 0.615 nan 8.150 nan 0.000 0.446 225 V N -0.345 119.615 119.914 0.076 0.000 2.216 225 V HA -0.158 3.966 4.120 0.008 0.000 0.243 225 V C 2.395 178.502 176.094 0.023 0.000 1.044 225 V CA 2.231 64.553 62.300 0.036 0.000 0.995 225 V CB -0.300 31.542 31.823 0.032 0.000 0.633 225 V HN 0.700 nan 8.190 nan 0.000 0.446 226 E N -1.256 118.968 120.200 0.040 0.000 2.571 226 E HA 0.032 4.386 4.350 0.008 0.000 0.222 226 E C 2.050 178.674 176.600 0.039 0.000 0.904 226 E CA -0.162 56.261 56.400 0.039 0.000 1.157 226 E CB 0.522 30.224 29.700 0.003 0.000 1.158 226 E HN 0.276 nan 8.360 nan 0.000 0.540 227 R N 1.126 121.667 120.500 0.069 0.000 2.090 227 R HA 0.106 4.451 4.340 0.008 0.000 0.228 227 R C 2.026 178.301 176.300 -0.040 0.000 1.110 227 R CA 1.758 57.874 56.100 0.027 0.000 0.973 227 R CB -0.638 29.704 30.300 0.070 0.000 0.869 227 R HN 0.124 nan 8.270 nan 0.000 0.440 228 A N 0.340 123.144 122.820 -0.026 0.000 1.865 228 A HA -0.232 4.093 4.320 0.008 0.000 0.217 228 A C 2.036 179.594 177.584 -0.044 0.000 1.191 228 A CA 1.817 53.823 52.037 -0.052 0.000 0.623 228 A CB -0.664 18.309 19.000 -0.045 0.000 0.826 228 A HN 0.416 nan 8.150 nan 0.000 0.444 229 Q N -0.464 119.289 119.800 -0.079 0.000 2.170 229 Q HA -0.150 4.195 4.340 0.008 0.000 0.203 229 Q C 1.889 178.014 176.000 0.209 0.000 0.976 229 Q CA 1.700 57.472 55.803 -0.051 0.000 0.858 229 Q CB -0.325 28.157 28.738 -0.427 0.000 0.907 229 Q HN 0.884 nan 8.270 nan 0.000 0.433 230 E N 0.019 120.312 120.200 0.156 0.000 2.106 230 E HA -0.155 4.199 4.350 0.008 0.000 0.192 230 E C 1.499 178.199 176.600 0.167 0.000 0.984 230 E CA 0.740 57.278 56.400 0.229 0.000 0.806 230 E CB 0.087 29.866 29.700 0.132 0.000 0.750 230 E HN 0.241 nan 8.360 nan 0.000 0.458 231 I N 1.295 121.850 120.570 -0.026 0.000 2.226 231 I HA -0.259 3.916 4.170 0.008 0.000 0.245 231 I C 2.432 178.610 176.117 0.100 0.000 1.100 231 I CA 1.062 62.292 61.300 -0.116 0.000 1.374 231 I CB -1.085 36.782 38.000 -0.222 0.000 1.057 231 I HN 0.302 nan 8.210 nan 0.000 0.413 232 L N -0.445 120.859 121.223 0.134 0.000 2.042 232 L HA -0.281 4.063 4.340 0.008 0.000 0.210 232 L C 2.750 179.760 176.870 0.232 0.000 1.076 232 L CA 1.618 56.560 54.840 0.169 0.000 0.749 232 L CB -0.909 41.248 42.059 0.164 0.000 0.893 232 L HN 0.196 nan 8.230 nan 0.000 0.432 233 Y N 0.105 120.511 120.300 0.177 0.000 2.274 233 Y HA -0.191 4.363 4.550 0.008 0.000 0.290 233 Y C 2.303 178.292 175.900 0.148 0.000 1.145 233 Y CA 1.308 59.447 58.100 0.066 0.000 1.203 233 Y CB -0.101 38.379 38.460 0.032 0.000 0.984 233 Y HN -0.155 nan 8.280 nan 0.000 0.533 234 V N 0.158 120.218 119.914 0.243 0.000 2.453 234 V HA -0.269 3.856 4.120 0.008 0.000 0.247 234 V C 2.333 178.576 176.094 0.248 0.000 1.048 234 V CA 1.659 64.129 62.300 0.284 0.000 1.049 234 V CB -0.530 31.533 31.823 0.399 0.000 0.672 234 V HN 0.425 nan 8.190 nan 0.000 0.457 235 L N -1.262 120.079 121.223 0.196 0.000 2.141 235 L HA -0.186 4.158 4.340 0.008 0.000 0.209 235 L C 2.395 179.283 176.870 0.029 0.000 1.094 235 L CA 1.817 56.724 54.840 0.110 0.000 0.763 235 L CB -0.558 41.551 42.059 0.085 0.000 0.908 235 L HN 0.442 nan 8.230 nan 0.000 0.437 236 Y N 1.146 121.365 120.300 -0.136 0.000 2.184 236 Y HA -0.241 4.314 4.550 0.008 0.000 0.290 236 Y C 2.847 178.564 175.900 -0.305 0.000 1.129 236 Y CA 1.912 59.874 58.100 -0.231 0.000 1.144 236 Y CB -0.169 38.107 38.460 -0.307 0.000 0.995 236 Y HN 0.197 nan 8.280 nan 0.000 0.513 237 T N -2.737 111.689 114.554 -0.213 0.000 3.163 237 T HA -0.075 4.279 4.350 0.008 0.000 0.260 237 T C 0.718 175.101 174.700 -0.529 0.000 1.156 237 T CA 1.169 63.032 62.100 -0.395 0.000 1.072 237 T CB -0.374 68.188 68.868 -0.511 0.000 0.937 237 T HN 0.519 nan 8.240 nan 0.000 0.528 238 H N -0.828 118.166 119.070 -0.126 0.000 2.916 238 H HA 0.397 4.957 4.556 0.008 0.000 0.262 238 H C 2.027 177.154 175.328 -0.334 0.000 1.178 238 H CA 0.034 55.963 56.048 -0.198 0.000 1.090 238 H CB 0.380 30.058 29.762 -0.139 0.000 1.657 238 H HN 0.481 nan 8.280 nan 0.000 0.601 239 G N 0.954 109.633 108.800 -0.202 0.000 2.448 239 G HA2 -0.292 3.672 3.960 0.008 0.000 0.219 239 G HA3 -0.292 3.672 3.960 0.008 0.000 0.219 239 G C 1.503 176.276 174.900 -0.211 0.000 1.127 239 G CA 1.142 46.115 45.100 -0.212 0.000 0.766 239 G HN 0.563 nan 8.290 nan 0.000 0.552 240 H N 0.856 119.834 119.070 -0.153 0.000 2.421 240 H HA -0.024 4.536 4.556 0.008 0.000 0.298 240 H C 2.331 177.611 175.328 -0.081 0.000 1.087 240 H CA 1.469 57.444 56.048 -0.122 0.000 1.330 240 H CB -0.255 29.433 29.762 -0.123 0.000 1.388 240 H HN 0.496 nan 8.280 nan 0.000 0.526 241 R N 0.662 120.753 120.500 -0.682 0.000 2.308 241 R HA 0.286 4.630 4.340 0.008 0.000 0.202 241 R C 0.031 176.191 176.300 -0.233 0.000 0.898 241 R CA -0.136 55.748 56.100 -0.360 0.000 1.046 241 R CB 0.231 30.284 30.300 -0.412 0.000 1.026 241 R HN 0.190 nan 8.270 nan 0.000 0.512 242 L N 3.791 124.871 121.223 -0.239 0.000 2.371 242 L HA 0.340 4.684 4.340 0.008 0.000 0.272 242 L C -1.781 175.005 176.870 -0.140 0.000 1.124 242 L CA -2.393 52.337 54.840 -0.182 0.000 0.816 242 L CB 0.600 42.548 42.059 -0.185 0.000 1.129 242 L HN -0.018 nan 8.230 nan 0.000 0.448 243 P HA 0.028 nan 4.420 nan 0.000 0.267 243 P C -0.772 176.471 177.300 -0.094 0.000 1.200 243 P CA -0.166 62.877 63.100 -0.095 0.000 0.772 243 P CB 0.470 32.118 31.700 -0.087 0.000 0.855 244 R N 1.237 121.690 120.500 -0.079 0.000 2.489 244 R HA 0.498 4.843 4.340 0.008 0.000 0.287 244 R C 0.063 176.319 176.300 -0.073 0.000 1.053 244 R CA 0.214 56.267 56.100 -0.077 0.000 1.036 244 R CB 0.245 30.507 30.300 -0.064 0.000 0.966 244 R HN 0.648 nan 8.270 nan 0.000 0.432 245 A N 4.762 127.531 122.820 -0.085 0.000 2.594 245 A HA 0.430 4.755 4.320 0.008 0.000 0.296 245 A C -2.640 174.872 177.584 -0.120 0.000 1.056 245 A CA -1.346 50.644 52.037 -0.080 0.000 0.693 245 A CB 1.505 20.462 19.000 -0.072 0.000 1.278 245 A HN 0.507 nan 8.150 nan 0.000 0.408 246 P HA 0.498 nan 4.420 nan 0.000 0.272 246 P C -0.815 176.259 177.300 -0.375 0.000 1.223 246 P CA 0.036 62.942 63.100 -0.324 0.000 0.784 246 P CB 0.727 32.150 31.700 -0.461 0.000 0.923 247 I N 2.457 122.775 120.570 -0.419 0.000 2.390 247 I HA 0.212 4.387 4.170 0.008 0.000 0.283 247 I C -0.437 175.482 176.117 -0.329 0.000 1.016 247 I CA -0.813 60.326 61.300 -0.268 0.000 1.151 247 I CB 0.605 38.522 38.000 -0.138 0.000 1.293 247 I HN 0.254 nan 8.210 nan 0.000 0.458 248 Y N 6.251 126.526 120.300 -0.041 0.000 2.477 248 Y HA 0.257 4.811 4.550 0.008 0.000 0.349 248 Y C 0.185 176.063 175.900 -0.037 0.000 0.977 248 Y CA -0.736 57.344 58.100 -0.034 0.000 1.214 248 Y CB 0.919 39.357 38.460 -0.037 0.000 1.124 248 Y HN 0.439 nan 8.280 nan 0.000 0.521 249 L N 4.724 126.000 121.223 0.088 0.000 2.404 249 L HA 0.171 4.515 4.340 0.008 0.000 0.277 249 L C 0.230 177.145 176.870 0.076 0.000 1.184 249 L CA 0.099 54.969 54.840 0.050 0.000 1.013 249 L CB -0.397 41.671 42.059 0.016 0.000 1.318 249 L HN 0.494 nan 8.230 nan 0.000 0.435 250 D N 2.280 122.735 120.400 0.092 0.000 2.767 250 D HA 0.087 4.732 4.640 0.008 0.000 0.231 250 D C -0.578 175.772 176.300 0.083 0.000 1.105 250 D CA 0.401 54.467 54.000 0.111 0.000 1.024 250 D CB -0.062 40.850 40.800 0.187 0.000 1.123 250 D HN 0.393 nan 8.370 nan 0.000 0.470 251 S N 1.510 117.238 115.700 0.046 0.000 2.536 251 S HA 0.328 4.803 4.470 0.008 0.000 0.246 251 S C -2.225 172.375 174.600 -0.001 0.000 1.077 251 S CA -1.021 57.196 58.200 0.028 0.000 1.091 251 S CB 1.456 64.677 63.200 0.035 0.000 1.148 251 S HN -0.094 nan 8.310 nan 0.000 0.447 252 P HA -0.152 nan 4.420 nan 0.000 0.215 252 P C 1.643 178.927 177.300 -0.026 0.000 1.157 252 P CA 1.083 64.156 63.100 -0.045 0.000 0.874 252 P CB 0.047 31.702 31.700 -0.074 0.000 0.790 253 M N 0.013 119.606 119.600 -0.011 0.000 2.065 253 M HA -0.137 4.348 4.480 0.008 0.000 0.259 253 M C 1.997 178.286 176.300 -0.018 0.000 1.069 253 M CA 2.267 57.565 55.300 -0.004 0.000 1.110 253 M CB -1.355 31.256 32.600 0.018 0.000 1.328 253 M HN -0.127 nan 8.290 nan 0.000 0.405 254 A N -0.437 122.373 122.820 -0.017 0.000 1.978 254 A HA 0.010 4.334 4.320 0.008 0.000 0.220 254 A C 2.328 179.863 177.584 -0.081 0.000 1.170 254 A CA 1.827 53.834 52.037 -0.050 0.000 0.636 254 A CB -1.844 17.135 19.000 -0.034 0.000 0.810 254 A HN 0.671 nan 8.150 nan 0.000 0.448 255 G N -0.431 108.339 108.800 -0.050 0.000 2.453 255 G HA2 -0.236 3.728 3.960 0.008 0.000 0.215 255 G HA3 -0.236 3.728 3.960 0.008 0.000 0.215 255 G C 1.742 176.611 174.900 -0.052 0.000 1.201 255 G CA 0.894 45.965 45.100 -0.048 0.000 0.784 255 G HN 0.564 nan 8.290 nan 0.000 0.545 256 R N -0.223 120.255 120.500 -0.037 0.000 2.094 256 R HA -0.101 4.243 4.340 0.008 0.000 0.239 256 R C 2.686 178.964 176.300 -0.038 0.000 1.137 256 R CA 1.531 57.616 56.100 -0.025 0.000 0.943 256 R CB -0.883 29.409 30.300 -0.013 0.000 0.850 256 R HN 0.290 nan 8.270 nan 0.000 0.433 257 V N 1.564 121.440 119.914 -0.064 0.000 2.287 257 V HA -0.259 3.865 4.120 0.008 0.000 0.248 257 V C 2.285 178.251 176.094 -0.214 0.000 1.053 257 V CA 1.782 64.026 62.300 -0.093 0.000 1.027 257 V CB -0.555 31.198 31.823 -0.116 0.000 0.646 257 V HN 0.263 nan 8.190 nan 0.000 0.447 258 L N 0.378 121.420 121.223 -0.303 0.000 2.012 258 L HA -0.163 4.182 4.340 0.008 0.000 0.210 258 L C 2.539 179.343 176.870 -0.110 0.000 1.073 258 L CA 2.361 56.970 54.840 -0.385 0.000 0.748 258 L CB -0.822 41.087 42.059 -0.250 0.000 0.891 258 L HN 0.308 nan 8.230 nan 0.000 0.431 259 S N -0.395 115.287 115.700 -0.030 0.000 2.387 259 S HA -0.206 4.268 4.470 0.008 0.000 0.230 259 S C 1.814 176.468 174.600 0.091 0.000 1.035 259 S CA 1.631 59.856 58.200 0.041 0.000 1.014 259 S CB -0.629 62.589 63.200 0.030 0.000 0.836 259 S HN 0.464 nan 8.310 nan 0.000 0.466 260 L N 0.583 121.862 121.223 0.094 0.000 2.291 260 L HA 0.073 4.418 4.340 0.008 0.000 0.214 260 L C 1.712 178.734 176.870 0.254 0.000 1.120 260 L CA 1.340 56.265 54.840 0.141 0.000 0.799 260 L CB -0.681 41.448 42.059 0.117 0.000 0.925 260 L HN 0.347 nan 8.230 nan 0.000 0.446 261 Y N 0.212 120.537 120.300 0.042 0.000 2.193 261 Y HA -0.245 4.309 4.550 0.007 0.000 0.285 261 Y C -0.270 175.725 175.900 0.159 0.000 1.166 261 Y CA 1.087 59.250 58.100 0.104 0.000 1.181 261 Y CB -1.260 37.169 38.460 -0.053 0.000 0.976 261 Y HN 0.323 nan 8.280 nan 0.000 0.520 262 P HA -0.115 nan 4.420 nan 0.000 0.223 262 P C 0.822 178.104 177.300 -0.031 0.000 1.151 262 P CA 1.477 64.638 63.100 0.101 0.000 0.787 262 P CB -0.002 31.832 31.700 0.224 0.000 0.788 263 R N -1.256 119.272 120.500 0.045 0.000 2.276 263 R HA 0.073 4.418 4.340 0.008 0.000 0.203 263 R C 0.688 176.998 176.300 0.017 0.000 1.017 263 R CA 0.571 56.684 56.100 0.022 0.000 1.010 263 R CB -0.268 30.058 30.300 0.044 0.000 0.900 263 R HN 0.148 nan 8.270 nan 0.000 0.469 264 L N -0.295 120.946 121.223 0.030 0.000 2.728 264 L HA 0.073 4.418 4.340 0.008 0.000 0.238 264 L C 1.661 178.541 176.870 0.016 0.000 1.143 264 L CA 0.393 55.271 54.840 0.064 0.000 0.937 264 L CB 0.034 42.059 42.059 -0.057 0.000 1.225 264 L HN -0.070 nan 8.230 nan 0.000 0.507 265 V N 1.846 121.706 119.914 -0.090 0.000 2.311 265 V HA -0.390 3.735 4.120 0.008 0.000 0.256 265 V C 2.796 178.881 176.094 -0.015 0.000 1.077 265 V CA 2.746 64.958 62.300 -0.146 0.000 1.067 265 V CB -0.225 31.264 31.823 -0.556 0.000 0.659 265 V HN 0.753 nan 8.190 nan 0.000 0.451 266 R N -1.596 118.800 120.500 -0.174 0.000 2.193 266 R HA -0.160 4.184 4.340 0.008 0.000 0.229 266 R C 1.818 177.884 176.300 -0.390 0.000 1.110 266 R CA 2.192 58.120 56.100 -0.285 0.000 0.988 266 R CB -0.737 29.312 30.300 -0.418 0.000 0.871 266 R HN 0.590 nan 8.270 nan 0.000 0.458 267 Y N -0.055 120.074 120.300 -0.286 0.000 2.471 267 Y HA 0.248 4.803 4.550 0.008 0.000 0.286 267 Y C 0.058 175.599 175.900 -0.598 0.000 1.188 267 Y CA -0.345 57.498 58.100 -0.428 0.000 1.286 267 Y CB 0.053 38.181 38.460 -0.552 0.000 1.072 267 Y HN -0.092 nan 8.280 nan 0.000 0.517 268 F N -1.020 118.921 119.950 -0.015 0.000 2.461 268 F HA 0.391 4.923 4.527 0.008 0.000 0.337 268 F C 1.041 176.813 175.800 -0.047 0.000 1.079 268 F CA -1.595 56.390 58.000 -0.026 0.000 1.032 268 F CB 0.242 39.261 39.000 0.032 0.000 1.327 268 F HN -0.283 nan 8.300 nan 0.000 0.491 269 S N -0.063 115.749 115.700 0.186 0.000 2.596 269 S HA 0.082 4.557 4.470 0.008 0.000 0.260 269 S C 0.873 175.501 174.600 0.048 0.000 1.336 269 S CA -0.612 57.622 58.200 0.058 0.000 0.993 269 S CB 0.651 63.864 63.200 0.021 0.000 0.923 269 S HN 0.560 nan 8.310 nan 0.000 0.567 270 E N 1.006 121.212 120.200 0.009 0.000 2.031 270 E HA -0.196 4.159 4.350 0.008 0.000 0.193 270 E C 1.960 178.548 176.600 -0.018 0.000 0.994 270 E CA 1.603 58.003 56.400 0.000 0.000 0.800 270 E CB -0.700 28.994 29.700 -0.010 0.000 0.752 270 E HN 0.930 nan 8.360 nan 0.000 0.447 271 E N 0.749 120.925 120.200 -0.040 0.000 2.065 271 E HA -0.196 4.158 4.350 0.008 0.000 0.201 271 E C 2.151 178.644 176.600 -0.178 0.000 1.016 271 E CA 1.848 58.181 56.400 -0.112 0.000 0.818 271 E CB 0.049 29.714 29.700 -0.058 0.000 0.749 271 E HN 0.023 nan 8.360 nan 0.000 0.453 272 V N 1.087 120.954 119.914 -0.078 0.000 2.343 272 V HA -0.282 3.843 4.120 0.008 0.000 0.247 272 V C 2.472 178.651 176.094 0.141 0.000 1.051 272 V CA 2.187 64.464 62.300 -0.039 0.000 1.036 272 V CB -0.588 31.169 31.823 -0.111 0.000 0.654 272 V HN 0.358 nan 8.190 nan 0.000 0.451 273 Q N -0.306 119.589 119.800 0.158 0.000 2.124 273 Q HA -0.163 4.182 4.340 0.008 0.000 0.202 273 Q C 2.434 178.532 176.000 0.162 0.000 0.977 273 Q CA 1.654 57.580 55.803 0.205 0.000 0.850 273 Q CB -0.389 28.415 28.738 0.110 0.000 0.901 273 Q HN 0.682 nan 8.270 nan 0.000 0.429 274 A N 0.518 123.370 122.820 0.053 0.000 1.933 274 A HA -0.224 4.101 4.320 0.008 0.000 0.218 274 A C 1.553 179.181 177.584 0.073 0.000 1.175 274 A CA 1.511 53.563 52.037 0.025 0.000 0.628 274 A CB -0.769 18.199 19.000 -0.053 0.000 0.814 274 A HN 0.422 nan 8.150 nan 0.000 0.444 275 H N -2.486 116.597 119.070 0.022 0.000 2.321 275 H HA -0.124 4.437 4.556 0.008 0.000 0.300 275 H C 1.854 177.129 175.328 -0.088 0.000 1.087 275 H CA 1.562 57.567 56.048 -0.072 0.000 1.319 275 H CB -0.179 29.463 29.762 -0.200 0.000 1.379 275 H HN 0.530 nan 8.280 nan 0.000 0.501 276 F N 0.122 120.128 119.950 0.093 0.000 2.161 276 F HA -0.201 4.331 4.527 0.008 0.000 0.300 276 F C 2.319 178.149 175.800 0.050 0.000 1.089 276 F CA 0.710 58.740 58.000 0.050 0.000 1.282 276 F CB -0.331 38.701 39.000 0.053 0.000 1.010 276 F HN 0.130 nan 8.300 nan 0.000 0.485 277 L N 0.120 121.479 121.223 0.226 0.000 2.079 277 L HA -0.198 4.147 4.340 0.008 0.000 0.210 277 L C 2.139 179.070 176.870 0.102 0.000 1.081 277 L CA 1.743 56.666 54.840 0.138 0.000 0.752 277 L CB -0.858 41.260 42.059 0.098 0.000 0.896 277 L HN 0.081 nan 8.230 nan 0.000 0.433 278 Q N 0.202 120.058 119.800 0.094 0.000 2.541 278 Q HA 0.091 4.436 4.340 0.008 0.000 0.215 278 Q C 1.542 177.574 176.000 0.053 0.000 0.977 278 Q CA 0.837 56.679 55.803 0.066 0.000 0.934 278 Q CB -0.482 28.298 28.738 0.070 0.000 0.988 278 Q HN 0.677 nan 8.270 nan 0.000 0.521 279 G N 1.376 110.219 108.800 0.072 0.000 2.132 279 G HA2 -0.279 3.686 3.960 0.008 0.000 0.234 279 G HA3 -0.279 3.686 3.960 0.008 0.000 0.234 279 G C -0.260 174.658 174.900 0.030 0.000 0.989 279 G CA 0.438 45.578 45.100 0.068 0.000 0.676 279 G HN 0.407 nan 8.290 nan 0.000 0.522 280 K N -0.358 120.018 120.400 -0.040 0.000 2.378 280 K HA 0.647 4.972 4.320 0.008 0.000 0.252 280 K C -0.481 175.870 176.600 -0.416 0.000 0.931 280 K CA -1.443 54.767 56.287 -0.127 0.000 0.794 280 K CB 1.342 33.805 32.500 -0.062 0.000 1.181 280 K HN -0.002 nan 8.250 nan 0.000 0.425 281 N N 3.996 122.466 118.700 -0.384 0.000 2.399 281 N HA 0.118 4.863 4.740 0.008 0.000 0.259 281 N C -1.716 173.292 175.510 -0.837 0.000 1.160 281 N CA -2.039 50.640 53.050 -0.618 0.000 0.946 281 N CB 0.682 39.096 38.487 -0.122 0.000 1.156 281 N HN 0.526 nan 8.380 nan 0.000 0.489 282 P HA 0.033 nan 4.420 nan 0.000 0.249 282 P C -0.030 176.583 177.300 -1.144 0.000 1.241 282 P CA 0.388 62.421 63.100 -1.778 0.000 0.781 282 P CB -0.155 30.812 31.700 -1.222 0.000 1.088 283 F N 0.205 119.925 119.950 -0.384 0.000 2.647 283 F HA 0.306 4.837 4.527 0.008 0.000 0.300 283 F C 1.134 176.895 175.800 -0.065 0.000 1.106 283 F CA -0.154 57.792 58.000 -0.090 0.000 1.313 283 F CB 0.363 39.382 39.000 0.031 0.000 1.007 283 F HN -0.265 nan 8.300 nan 0.000 0.536 284 R N 1.611 122.127 120.500 0.026 0.000 2.629 284 R HA 0.245 4.590 4.340 0.008 0.000 0.275 284 R C -2.698 173.713 176.300 0.185 0.000 1.719 284 R CA -1.533 54.623 56.100 0.093 0.000 1.472 284 R CB 0.933 31.272 30.300 0.065 0.000 1.237 284 R HN -0.084 nan 8.270 nan 0.000 0.589 285 P HA 0.017 nan 4.420 nan 0.000 0.271 285 P C -0.292 177.021 177.300 0.021 0.000 1.233 285 P CA -0.225 62.955 63.100 0.134 0.000 0.789 285 P CB 0.794 32.530 31.700 0.061 0.000 0.951 286 A N 0.823 123.609 122.820 -0.057 0.000 2.520 286 A HA 0.439 4.763 4.320 0.008 0.000 0.245 286 A C 1.412 178.948 177.584 -0.081 0.000 1.072 286 A CA 0.680 52.674 52.037 -0.070 0.000 0.761 286 A CB -1.381 17.558 19.000 -0.102 0.000 1.004 286 A HN 0.907 nan 8.150 nan 0.000 0.499 287 G N 0.890 109.640 108.800 -0.082 0.000 2.176 287 G HA2 -0.108 3.856 3.960 0.008 0.000 0.232 287 G HA3 -0.108 3.856 3.960 0.008 0.000 0.232 287 G C 0.163 174.966 174.900 -0.161 0.000 0.986 287 G CA 0.155 45.181 45.100 -0.123 0.000 0.643 287 G HN 1.630 nan 8.290 nan 0.000 0.522 288 L N 0.826 121.985 121.223 -0.106 0.000 2.506 288 L HA 0.700 5.045 4.340 0.008 0.000 0.281 288 L C 0.067 176.871 176.870 -0.110 0.000 1.228 288 L CA 0.301 55.080 54.840 -0.102 0.000 0.850 288 L CB 1.033 43.072 42.059 -0.032 0.000 1.110 288 L HN 0.251 nan 8.230 nan 0.000 0.496 289 E N 2.530 122.662 120.200 -0.114 0.000 2.321 289 E HA 0.435 4.790 4.350 0.008 0.000 0.281 289 E C -1.728 174.896 176.600 0.039 0.000 0.910 289 E CA -0.427 55.946 56.400 -0.045 0.000 0.770 289 E CB 1.820 31.464 29.700 -0.094 0.000 1.225 289 E HN 0.354 nan 8.360 nan 0.000 0.417 290 V N 4.557 124.503 119.914 0.052 0.000 2.318 290 V HA 0.299 4.424 4.120 0.008 0.000 0.271 290 V C -0.284 175.856 176.094 0.076 0.000 1.030 290 V CA -0.796 61.537 62.300 0.055 0.000 0.844 290 V CB 1.358 33.195 31.823 0.024 0.000 1.015 290 V HN 0.551 nan 8.190 nan 0.000 0.460 291 V N 5.675 125.648 119.914 0.099 0.000 2.427 291 V HA 0.201 4.326 4.120 0.008 0.000 0.268 291 V C 1.210 177.313 176.094 0.015 0.000 1.046 291 V CA -0.121 62.230 62.300 0.086 0.000 0.970 291 V CB 0.920 32.800 31.823 0.096 0.000 1.001 291 V HN 0.855 nan 8.190 nan 0.000 0.476 292 E N 2.807 123.001 120.200 -0.010 0.000 2.190 292 E HA 0.058 4.413 4.350 0.008 0.000 0.191 292 E C 0.124 176.415 176.600 -0.516 0.000 0.978 292 E CA 0.839 57.092 56.400 -0.245 0.000 0.839 292 E CB 0.271 29.813 29.700 -0.264 0.000 0.787 292 E HN 0.870 nan 8.360 nan 0.000 0.473 293 H N -1.919 117.153 119.070 0.004 0.000 2.894 293 H HA 0.278 4.838 4.556 0.008 0.000 0.368 293 H C 1.059 176.367 175.328 -0.033 0.000 1.181 293 H CA -0.300 55.741 56.048 -0.012 0.000 1.146 293 H CB 1.020 30.774 29.762 -0.013 0.000 1.839 293 H HN -0.284 nan 8.280 nan 0.000 0.557 294 T N 0.324 114.928 114.554 0.083 0.000 2.624 294 T HA -0.224 4.130 4.350 0.008 0.000 0.268 294 T C 1.392 176.065 174.700 -0.044 0.000 1.041 294 T CA 2.197 64.284 62.100 -0.022 0.000 1.159 294 T CB -0.225 68.618 68.868 -0.041 0.000 0.863 294 T HN 0.596 nan 8.240 nan 0.000 0.434 295 E N 1.378 121.569 120.200 -0.015 0.000 2.086 295 E HA -0.130 4.225 4.350 0.008 0.000 0.200 295 E C 2.356 178.929 176.600 -0.044 0.000 1.012 295 E CA 1.471 57.849 56.400 -0.038 0.000 0.812 295 E CB -0.531 29.151 29.700 -0.031 0.000 0.743 295 E HN 0.569 nan 8.360 nan 0.000 0.453 296 A N -0.044 122.768 122.820 -0.014 0.000 1.970 296 A HA -0.083 4.242 4.320 0.008 0.000 0.216 296 A C 2.265 179.810 177.584 -0.065 0.000 1.170 296 A CA 1.364 53.385 52.037 -0.028 0.000 0.645 296 A CB -0.514 18.497 19.000 0.018 0.000 0.816 296 A HN 0.213 nan 8.150 nan 0.000 0.447 297 S N -0.333 115.335 115.700 -0.053 0.000 2.368 297 S HA -0.155 4.320 4.470 0.008 0.000 0.225 297 S C 1.988 176.501 174.600 -0.144 0.000 1.030 297 S CA 1.764 59.922 58.200 -0.069 0.000 0.999 297 S CB -0.239 62.915 63.200 -0.076 0.000 0.844 297 S HN 0.618 nan 8.310 nan 0.000 0.459 298 K N 0.663 120.958 120.400 -0.174 0.000 2.228 298 K HA 0.143 4.467 4.320 0.008 0.000 0.202 298 K C 2.274 178.764 176.600 -0.184 0.000 1.051 298 K CA 0.787 56.945 56.287 -0.215 0.000 0.960 298 K CB -0.233 32.140 32.500 -0.212 0.000 0.743 298 K HN 0.381 nan 8.250 nan 0.000 0.458 299 A N 1.627 124.364 122.820 -0.138 0.000 1.972 299 A HA -0.139 4.186 4.320 0.008 0.000 0.219 299 A C 2.068 179.571 177.584 -0.134 0.000 1.169 299 A CA 1.178 53.142 52.037 -0.121 0.000 0.635 299 A CB -0.592 18.352 19.000 -0.094 0.000 0.810 299 A HN 0.163 nan 8.150 nan 0.000 0.446 300 L N -0.093 121.039 121.223 -0.151 0.000 2.079 300 L HA -0.232 4.112 4.340 0.008 0.000 0.210 300 L C 2.191 179.013 176.870 -0.081 0.000 1.081 300 L CA 1.239 55.985 54.840 -0.156 0.000 0.752 300 L CB -0.686 41.278 42.059 -0.159 0.000 0.896 300 L HN 0.411 nan 8.230 nan 0.000 0.433 301 N N 0.525 119.164 118.700 -0.102 0.000 2.149 301 N HA -0.177 4.567 4.740 0.008 0.000 0.188 301 N C 1.745 177.173 175.510 -0.138 0.000 1.019 301 N CA 1.299 54.266 53.050 -0.138 0.000 0.857 301 N CB -0.254 37.950 38.487 -0.471 0.000 0.997 301 N HN 0.433 nan 8.380 nan 0.000 0.426 302 R N 0.202 120.611 120.500 -0.152 0.000 2.280 302 R HA 0.305 4.649 4.340 0.008 0.000 0.195 302 R C 0.577 176.848 176.300 -0.047 0.000 0.935 302 R CA -0.029 56.018 56.100 -0.088 0.000 1.033 302 R CB 0.321 30.565 30.300 -0.094 0.000 0.964 302 R HN 0.054 nan 8.270 nan 0.000 0.489 303 A N 3.048 125.835 122.820 -0.054 0.000 2.302 303 A HA 0.399 4.724 4.320 0.008 0.000 0.285 303 A C -2.144 175.432 177.584 -0.014 0.000 1.105 303 A CA -1.505 50.511 52.037 -0.036 0.000 0.816 303 A CB 0.145 19.112 19.000 -0.056 0.000 1.067 303 A HN -0.058 nan 8.150 nan 0.000 0.489 304 P HA 0.320 nan 4.420 nan 0.000 0.279 304 P C 0.379 177.688 177.300 0.015 0.000 1.252 304 P CA 0.031 63.135 63.100 0.007 0.000 0.811 304 P CB 1.019 32.723 31.700 0.007 0.000 1.035 305 G N 1.568 110.377 108.800 0.014 0.000 2.611 305 G HA2 0.365 4.329 3.960 0.008 0.000 0.273 305 G HA3 0.365 4.329 3.960 0.008 0.000 0.273 305 G C -2.259 172.649 174.900 0.013 0.000 1.305 305 G CA -1.052 44.058 45.100 0.016 0.000 1.010 305 G HN 0.445 nan 8.290 nan 0.000 0.509 306 P HA 0.368 nan 4.420 nan 0.000 0.278 306 P C -0.505 176.805 177.300 0.017 0.000 1.238 306 P CA 0.029 63.127 63.100 -0.003 0.000 0.794 306 P CB 1.310 32.995 31.700 -0.024 0.000 0.955 307 M N 0.325 119.934 119.600 0.015 0.000 2.694 307 M HA 0.492 4.976 4.480 0.008 0.000 0.276 307 M C -2.105 174.203 176.300 0.013 0.000 1.167 307 M CA -1.005 54.327 55.300 0.052 0.000 0.849 307 M CB 1.551 34.263 32.600 0.186 0.000 1.705 307 M HN -0.087 nan 8.290 nan 0.000 0.504 308 V N 1.997 121.915 119.914 0.008 0.000 2.495 308 V HA 0.796 4.921 4.120 0.008 0.000 0.298 308 V C -0.769 175.337 176.094 0.019 0.000 1.031 308 V CA -0.650 61.636 62.300 -0.024 0.000 0.871 308 V CB 1.850 33.639 31.823 -0.057 0.000 0.988 308 V HN 0.705 nan 8.190 nan 0.000 0.432 309 V N 5.965 125.859 119.914 -0.033 0.000 2.531 309 V HA 0.524 4.648 4.120 0.008 0.000 0.301 309 V C -0.884 175.154 176.094 -0.092 0.000 1.034 309 V CA -0.578 61.675 62.300 -0.078 0.000 0.865 309 V CB 1.819 33.468 31.823 -0.290 0.000 0.995 309 V HN 0.591 nan 8.190 nan 0.000 0.424 310 L N 4.534 125.728 121.223 -0.049 0.000 2.305 310 L HA 0.932 5.277 4.340 0.008 0.000 0.284 310 L C 0.185 177.050 176.870 -0.009 0.000 1.013 310 L CA 0.041 54.860 54.840 -0.035 0.000 0.819 310 L CB 1.442 43.489 42.059 -0.019 0.000 1.227 310 L HN 0.873 nan 8.230 nan 0.000 0.417 311 A N 1.793 124.618 122.820 0.009 0.000 2.606 311 A HA 0.929 5.254 4.320 0.008 0.000 0.293 311 A C -0.451 177.182 177.584 0.081 0.000 1.082 311 A CA -0.066 52.019 52.037 0.080 0.000 0.685 311 A CB 1.368 20.477 19.000 0.183 0.000 1.284 311 A HN 0.707 nan 8.150 nan 0.000 0.408 312 G N -0.294 108.570 108.800 0.108 0.000 2.667 312 G HA2 0.572 4.537 3.960 0.008 0.000 0.310 312 G HA3 0.572 4.537 3.960 0.008 0.000 0.310 312 G C -0.123 174.858 174.900 0.135 0.000 1.259 312 G CA -0.238 44.936 45.100 0.122 0.000 1.019 312 G HN 0.951 nan 8.290 nan 0.000 0.496 313 S N -1.232 114.556 115.700 0.147 0.000 2.593 313 S HA 0.346 4.821 4.470 0.008 0.000 0.269 313 S C 1.711 176.421 174.600 0.184 0.000 1.334 313 S CA 0.185 58.500 58.200 0.191 0.000 1.015 313 S CB 1.380 64.699 63.200 0.198 0.000 0.912 313 S HN 0.907 nan 8.310 nan 0.000 0.541 314 G N 0.415 109.364 108.800 0.248 0.000 2.509 314 G HA2 -0.093 3.872 3.960 0.008 0.000 0.218 314 G HA3 -0.093 3.872 3.960 0.008 0.000 0.218 314 G C 0.679 175.596 174.900 0.027 0.000 1.124 314 G CA 0.439 45.477 45.100 -0.102 0.000 0.776 314 G HN 0.614 nan 8.290 nan 0.000 0.547 315 M N -0.080 119.673 119.600 0.256 0.000 2.496 315 M HA 0.385 4.870 4.480 0.008 0.000 0.330 315 M C 0.434 176.841 176.300 0.178 0.000 1.133 315 M CA -0.123 55.309 55.300 0.220 0.000 0.964 315 M CB 0.603 33.371 32.600 0.281 0.000 1.401 315 M HN 0.055 nan 8.290 nan 0.000 0.520 316 L N -1.145 120.186 121.223 0.180 0.000 4.429 316 L HA -0.350 3.995 4.340 0.008 0.000 0.422 316 L C 1.638 178.578 176.870 0.118 0.000 1.149 316 L CA 0.262 55.193 54.840 0.152 0.000 0.972 316 L CB -2.194 39.967 42.059 0.171 0.000 2.059 316 L HN 0.486 nan 8.230 nan 0.000 0.870 317 A N -0.300 122.595 122.820 0.125 0.000 1.851 317 A HA 0.315 4.640 4.320 0.008 0.000 0.216 317 A C 1.447 179.080 177.584 0.082 0.000 1.195 317 A CA 2.177 54.274 52.037 0.100 0.000 0.622 317 A CB -0.293 18.773 19.000 0.109 0.000 0.831 317 A HN 0.689 nan 8.150 nan 0.000 0.444 318 G N -4.095 104.761 108.800 0.093 0.000 2.976 318 G HA2 0.615 4.580 3.960 0.008 0.000 0.276 318 G HA3 0.615 4.580 3.960 0.008 0.000 0.276 318 G C 0.225 175.183 174.900 0.096 0.000 1.207 318 G CA 0.015 45.163 45.100 0.079 0.000 0.803 318 G HN 1.897 nan 8.290 nan 0.000 0.572 319 G N -1.338 107.523 108.800 0.102 0.000 2.712 319 G HA2 -0.103 3.861 3.960 0.008 0.000 0.683 319 G HA3 -0.103 3.861 3.960 0.008 0.000 0.683 319 G C 0.564 175.554 174.900 0.151 0.000 1.320 319 G CA 0.363 45.535 45.100 0.119 0.000 0.847 319 G HN 0.737 nan 8.290 nan 0.000 0.553 320 R N -0.512 120.077 120.500 0.148 0.000 2.148 320 R HA -0.003 4.342 4.340 0.008 0.000 0.227 320 R C 2.705 179.098 176.300 0.155 0.000 1.103 320 R CA 1.386 57.573 56.100 0.144 0.000 0.983 320 R CB -0.245 30.108 30.300 0.088 0.000 0.874 320 R HN 0.530 nan 8.270 nan 0.000 0.451 321 I N 1.471 122.171 120.570 0.217 0.000 2.185 321 I HA -0.306 3.869 4.170 0.008 0.000 0.246 321 I C 1.801 178.014 176.117 0.159 0.000 1.088 321 I CA 1.564 63.017 61.300 0.255 0.000 1.347 321 I CB -0.144 37.954 38.000 0.164 0.000 1.041 321 I HN 0.135 nan 8.210 nan 0.000 0.415 322 L N -0.524 120.743 121.223 0.073 0.000 2.043 322 L HA -0.296 4.049 4.340 0.008 0.000 0.212 322 L C 2.638 179.462 176.870 -0.078 0.000 1.075 322 L CA 1.578 56.402 54.840 -0.026 0.000 0.752 322 L CB -1.164 40.827 42.059 -0.113 0.000 0.891 322 L HN 0.395 nan 8.230 nan 0.000 0.432 323 H N -1.122 117.942 119.070 -0.011 0.000 2.387 323 H HA -0.138 4.423 4.556 0.008 0.000 0.299 323 H C 2.335 177.668 175.328 0.009 0.000 1.090 323 H CA 1.454 57.486 56.048 -0.027 0.000 1.332 323 H CB -0.148 29.526 29.762 -0.146 0.000 1.386 323 H HN 0.478 nan 8.280 nan 0.000 0.516 324 H N 0.046 119.223 119.070 0.178 0.000 2.357 324 H HA -0.086 4.474 4.556 0.008 0.000 0.301 324 H C 2.432 177.821 175.328 0.100 0.000 1.082 324 H CA 0.575 56.690 56.048 0.113 0.000 1.342 324 H CB -0.197 29.599 29.762 0.056 0.000 1.389 324 H HN 0.159 nan 8.280 nan 0.000 0.511 325 L N 1.438 122.774 121.223 0.187 0.000 2.079 325 L HA -0.156 4.188 4.340 0.008 0.000 0.210 325 L C 2.581 179.491 176.870 0.067 0.000 1.081 325 L CA 1.478 56.378 54.840 0.100 0.000 0.752 325 L CB -0.701 41.401 42.059 0.071 0.000 0.896 325 L HN 0.182 nan 8.230 nan 0.000 0.433 326 K N -1.258 119.171 120.400 0.049 0.000 2.063 326 K HA -0.189 4.136 4.320 0.008 0.000 0.208 326 K C 1.821 178.353 176.600 -0.115 0.000 1.048 326 K CA 1.517 57.772 56.287 -0.054 0.000 0.928 326 K CB -0.118 32.321 32.500 -0.103 0.000 0.713 326 K HN 0.486 nan 8.250 nan 0.000 0.442 327 H N -2.187 116.905 119.070 0.037 0.000 2.553 327 H HA 0.105 4.665 4.556 0.008 0.000 0.265 327 H C 1.468 176.819 175.328 0.037 0.000 0.964 327 H CA 0.806 56.876 56.048 0.036 0.000 1.156 327 H CB 1.035 30.820 29.762 0.038 0.000 1.411 327 H HN 0.438 nan 8.280 nan 0.000 0.558 328 G N 0.105 108.989 108.800 0.140 0.000 2.781 328 G HA2 -0.028 3.937 3.960 0.008 0.000 0.208 328 G HA3 -0.028 3.937 3.960 0.008 0.000 0.208 328 G C 1.401 176.333 174.900 0.053 0.000 1.099 328 G CA -0.155 45.001 45.100 0.092 0.000 0.776 328 G HN 0.074 nan 8.290 nan 0.000 0.532 329 L N 2.405 123.654 121.223 0.044 0.000 2.191 329 L HA -0.006 4.339 4.340 0.008 0.000 0.212 329 L C 2.968 179.853 176.870 0.025 0.000 1.103 329 L CA 1.915 56.773 54.840 0.031 0.000 0.769 329 L CB -0.365 41.712 42.059 0.030 0.000 0.908 329 L HN 0.367 nan 8.230 nan 0.000 0.438 330 S N -2.258 113.454 115.700 0.020 0.000 2.489 330 S HA -0.066 4.409 4.470 0.008 0.000 0.228 330 S C 0.933 175.545 174.600 0.019 0.000 0.995 330 S CA 0.038 58.247 58.200 0.015 0.000 0.934 330 S CB -0.328 62.876 63.200 0.005 0.000 0.771 330 S HN 0.422 nan 8.310 nan 0.000 0.522 331 D N 2.749 123.165 120.400 0.025 0.000 2.280 331 D HA 0.276 4.921 4.640 0.008 0.000 0.243 331 D C -1.524 174.790 176.300 0.022 0.000 1.129 331 D CA -2.374 51.640 54.000 0.023 0.000 0.848 331 D CB 1.932 42.748 40.800 0.027 0.000 1.107 331 D HN 0.043 nan 8.370 nan 0.000 0.471 332 P HA -0.127 nan 4.420 nan 0.000 0.221 332 P C 1.017 178.329 177.300 0.020 0.000 1.145 332 P CA 0.747 63.858 63.100 0.019 0.000 0.795 332 P CB 0.459 32.168 31.700 0.015 0.000 0.775 333 R N -1.171 119.339 120.500 0.016 0.000 2.189 333 R HA 0.042 4.386 4.340 0.008 0.000 0.218 333 R C 0.941 177.247 176.300 0.010 0.000 1.074 333 R CA 0.274 56.381 56.100 0.011 0.000 0.991 333 R CB -0.304 29.999 30.300 0.006 0.000 0.883 333 R HN 0.304 nan 8.270 nan 0.000 0.457 334 N N 0.527 119.235 118.700 0.014 0.000 2.327 334 N HA 0.330 5.075 4.740 0.008 0.000 0.257 334 N C -0.612 174.910 175.510 0.020 0.000 1.281 334 N CA 0.101 53.157 53.050 0.009 0.000 0.942 334 N CB 0.712 39.208 38.487 0.014 0.000 1.199 334 N HN 0.065 nan 8.380 nan 0.000 0.532 335 A N 0.002 122.826 122.820 0.006 0.000 2.513 335 A HA 0.450 4.775 4.320 0.008 0.000 0.296 335 A C -1.389 176.188 177.584 -0.011 0.000 1.052 335 A CA -0.609 51.447 52.037 0.033 0.000 0.714 335 A CB 0.792 19.791 19.000 -0.003 0.000 1.279 335 A HN 0.535 nan 8.150 nan 0.000 0.397 336 L N 3.135 124.360 121.223 0.004 0.000 2.272 336 L HA 0.679 5.023 4.340 0.008 0.000 0.289 336 L C -1.194 175.586 176.870 -0.150 0.000 1.032 336 L CA -0.728 54.024 54.840 -0.147 0.000 0.810 336 L CB 1.387 43.313 42.059 -0.222 0.000 1.205 336 L HN 0.487 nan 8.230 nan 0.000 0.422 337 V N 5.470 125.264 119.914 -0.199 0.000 2.304 337 V HA 0.284 4.408 4.120 0.008 0.000 0.278 337 V C -0.268 175.746 176.094 -0.134 0.000 1.018 337 V CA -0.511 61.748 62.300 -0.067 0.000 0.814 337 V CB 0.863 32.736 31.823 0.084 0.000 1.021 337 V HN 0.443 nan 8.190 nan 0.000 0.440 338 F N 3.829 123.825 119.950 0.077 0.000 2.456 338 F HA 0.311 4.843 4.527 0.008 0.000 0.358 338 F C 0.971 176.767 175.800 -0.007 0.000 1.095 338 F CA -0.274 57.734 58.000 0.013 0.000 1.216 338 F CB 1.444 40.462 39.000 0.030 0.000 1.125 338 F HN 0.398 nan 8.300 nan 0.000 0.549 339 V N 0.892 120.861 119.914 0.091 0.000 2.887 339 V HA 0.807 4.932 4.120 0.008 0.000 0.370 339 V C 0.172 176.249 176.094 -0.029 0.000 1.322 339 V CA 0.035 62.349 62.300 0.022 0.000 1.267 339 V CB -0.227 31.424 31.823 -0.288 0.000 1.344 339 V HN 0.881 nan 8.190 nan 0.000 0.573 340 G N -0.819 107.953 108.800 -0.046 0.000 2.596 340 G HA2 0.468 4.433 3.960 0.008 0.000 0.296 340 G HA3 0.468 4.433 3.960 0.008 0.000 0.296 340 G C -1.457 173.404 174.900 -0.066 0.000 1.513 340 G CA -0.805 44.232 45.100 -0.104 0.000 0.851 340 G HN 0.126 nan 8.290 nan 0.000 0.548 341 Y N 1.172 121.569 120.300 0.162 0.000 2.511 341 Y HA 0.288 4.843 4.550 0.008 0.000 0.332 341 Y C 1.098 177.037 175.900 0.065 0.000 1.177 341 Y CA -0.107 58.067 58.100 0.123 0.000 1.422 341 Y CB 0.663 39.259 38.460 0.226 0.000 1.271 341 Y HN 0.228 nan 8.280 nan 0.000 0.550 342 Q N 5.201 125.040 119.800 0.066 0.000 2.243 342 Q HA 0.290 4.635 4.340 0.008 0.000 0.252 342 Q C -2.193 173.836 176.000 0.048 0.000 0.909 342 Q CA -2.103 53.677 55.803 -0.037 0.000 0.922 342 Q CB 0.875 29.419 28.738 -0.323 0.000 1.215 342 Q HN 0.474 nan 8.270 nan 0.000 0.427 343 P HA -0.022 nan 4.420 nan 0.000 0.271 343 P C -0.243 177.074 177.300 0.028 0.000 1.218 343 P CA -0.336 62.802 63.100 0.063 0.000 0.780 343 P CB 0.627 32.372 31.700 0.075 0.000 0.901 344 Q N 1.392 121.204 119.800 0.021 0.000 2.361 344 Q HA 0.137 4.482 4.340 0.008 0.000 0.276 344 Q C 0.958 176.965 176.000 0.012 0.000 1.022 344 Q CA 0.729 56.538 55.803 0.011 0.000 0.898 344 Q CB -0.461 28.281 28.738 0.006 0.000 1.246 344 Q HN 0.909 nan 8.270 nan 0.000 0.410 345 G N 1.621 110.426 108.800 0.009 0.000 2.267 345 G HA2 -0.270 3.694 3.960 0.008 0.000 0.257 345 G HA3 -0.270 3.694 3.960 0.008 0.000 0.257 345 G C 0.490 175.400 174.900 0.017 0.000 0.998 345 G CA 0.295 45.402 45.100 0.012 0.000 0.620 345 G HN 1.132 nan 8.290 nan 0.000 0.529 346 G N -0.632 108.179 108.800 0.018 0.000 2.634 346 G HA2 0.534 4.499 3.960 0.008 0.000 0.255 346 G HA3 0.534 4.499 3.960 0.008 0.000 0.255 346 G C 1.133 176.047 174.900 0.024 0.000 1.205 346 G CA 0.165 45.281 45.100 0.027 0.000 0.884 346 G HN 0.969 nan 8.290 nan 0.000 0.549 347 L N 1.249 122.497 121.223 0.041 0.000 2.131 347 L HA 0.057 4.401 4.340 0.008 0.000 0.210 347 L C 2.588 179.493 176.870 0.059 0.000 1.092 347 L CA 2.734 57.606 54.840 0.053 0.000 0.759 347 L CB -0.834 41.267 42.059 0.071 0.000 0.903 347 L HN 0.596 nan 8.230 nan 0.000 0.435 348 G N -0.770 108.042 108.800 0.021 0.000 2.511 348 G HA2 -0.295 3.670 3.960 0.008 0.000 0.216 348 G HA3 -0.295 3.670 3.960 0.008 0.000 0.216 348 G C 1.630 176.450 174.900 -0.132 0.000 1.218 348 G CA 1.094 46.130 45.100 -0.107 0.000 0.788 348 G HN 0.640 nan 8.290 nan 0.000 0.560 349 A N 0.781 123.535 122.820 -0.111 0.000 1.903 349 A HA -0.183 4.141 4.320 0.008 0.000 0.219 349 A C 2.198 179.777 177.584 -0.009 0.000 1.191 349 A CA 2.337 54.338 52.037 -0.060 0.000 0.638 349 A CB -0.709 18.275 19.000 -0.027 0.000 0.823 349 A HN 0.549 nan 8.150 nan 0.000 0.451 350 E N -0.339 119.867 120.200 0.010 0.000 2.130 350 E HA -0.207 4.148 4.350 0.008 0.000 0.196 350 E C 1.878 178.506 176.600 0.047 0.000 0.998 350 E CA 1.479 57.896 56.400 0.028 0.000 0.806 350 E CB -0.231 29.488 29.700 0.031 0.000 0.738 350 E HN 0.711 nan 8.360 nan 0.000 0.459 351 I N 0.644 121.259 120.570 0.075 0.000 2.286 351 I HA -0.235 3.940 4.170 0.008 0.000 0.245 351 I C 2.305 178.491 176.117 0.116 0.000 1.104 351 I CA 0.818 62.190 61.300 0.121 0.000 1.397 351 I CB -0.178 37.959 38.000 0.228 0.000 1.072 351 I HN 0.187 nan 8.210 nan 0.000 0.417 352 I N 1.112 121.741 120.570 0.099 0.000 2.700 352 I HA -0.223 3.952 4.170 0.008 0.000 0.261 352 I C 2.590 178.740 176.117 0.054 0.000 1.219 352 I CA 0.817 62.169 61.300 0.086 0.000 1.463 352 I CB -0.446 37.578 38.000 0.040 0.000 1.092 352 I HN 0.161 nan 8.210 nan 0.000 0.452 353 A N 0.596 123.441 122.820 0.042 0.000 2.172 353 A HA -0.143 4.182 4.320 0.008 0.000 0.216 353 A C 1.524 179.127 177.584 0.032 0.000 1.154 353 A CA 0.488 52.544 52.037 0.031 0.000 0.701 353 A CB -0.314 18.701 19.000 0.025 0.000 0.789 353 A HN 0.448 nan 8.150 nan 0.000 0.465 354 R N -1.325 119.200 120.500 0.042 0.000 3.336 354 R HA -0.113 4.231 4.340 0.008 0.000 0.260 354 R C -2.236 174.080 176.300 0.027 0.000 1.032 354 R CA 0.758 56.879 56.100 0.036 0.000 0.693 354 R CB -2.292 28.025 30.300 0.027 0.000 1.134 354 R HN 0.538 nan 8.270 nan 0.000 0.433 355 P HA 0.227 nan 4.420 nan 0.000 0.279 355 P C -1.809 175.503 177.300 0.020 0.000 1.282 355 P CA -0.955 62.158 63.100 0.021 0.000 0.788 355 P CB 0.528 32.241 31.700 0.021 0.000 1.139 356 P HA 0.056 nan 4.420 nan 0.000 0.222 356 P C 0.289 177.597 177.300 0.013 0.000 1.153 356 P CA 1.101 64.209 63.100 0.013 0.000 0.798 356 P CB 0.255 31.960 31.700 0.010 0.000 0.796 357 A N -1.294 121.534 122.820 0.014 0.000 2.588 357 A HA 0.673 4.997 4.320 0.008 0.000 0.290 357 A C -1.556 176.038 177.584 0.016 0.000 1.136 357 A CA -0.479 51.565 52.037 0.012 0.000 0.681 357 A CB 1.734 20.738 19.000 0.006 0.000 1.282 357 A HN -0.155 nan 8.150 nan 0.000 0.421 358 V N 0.151 120.073 119.914 0.014 0.000 2.969 358 V HA 0.494 4.619 4.120 0.008 0.000 0.304 358 V C -0.338 175.761 176.094 0.008 0.000 1.192 358 V CA -0.620 61.691 62.300 0.018 0.000 0.962 358 V CB 2.009 33.851 31.823 0.033 0.000 1.045 358 V HN 0.942 nan 8.190 nan 0.000 0.428 359 R N 3.656 124.160 120.500 0.007 0.000 2.210 359 R HA 0.681 5.026 4.340 0.008 0.000 0.338 359 R C -1.271 175.026 176.300 -0.004 0.000 1.062 359 R CA -0.116 55.983 56.100 -0.001 0.000 0.902 359 R CB 0.364 30.664 30.300 0.001 0.000 1.050 359 R HN 0.695 nan 8.270 nan 0.000 0.461 360 I N 5.938 126.496 120.570 -0.020 0.000 2.478 360 I HA 0.150 4.325 4.170 0.008 0.000 0.287 360 I C -0.597 175.485 176.117 -0.058 0.000 1.042 360 I CA -1.071 60.209 61.300 -0.033 0.000 1.067 360 I CB 1.933 39.913 38.000 -0.034 0.000 1.233 360 I HN 0.579 nan 8.210 nan 0.000 0.431 361 L N 6.912 128.096 121.223 -0.065 0.000 3.713 361 L HA -0.219 4.125 4.340 0.008 0.000 0.499 361 L C 1.286 178.132 176.870 -0.040 0.000 1.281 361 L CA 1.535 56.331 54.840 -0.072 0.000 0.796 361 L CB -1.891 40.089 42.059 -0.132 0.000 1.535 361 L HN 1.102 nan 8.230 nan 0.000 0.851 362 G N -1.378 107.407 108.800 -0.024 0.000 2.302 362 G HA2 -0.321 3.644 3.960 0.008 0.000 0.263 362 G HA3 -0.321 3.644 3.960 0.008 0.000 0.263 362 G C 0.514 175.404 174.900 -0.017 0.000 0.995 362 G CA 0.747 45.839 45.100 -0.015 0.000 0.622 362 G HN 0.540 nan 8.290 nan 0.000 0.538 363 E N -0.141 120.042 120.200 -0.027 0.000 2.264 363 E HA 0.591 4.946 4.350 0.008 0.000 0.260 363 E C -0.788 175.796 176.600 -0.027 0.000 0.961 363 E CA -0.865 55.518 56.400 -0.029 0.000 0.834 363 E CB 1.288 30.962 29.700 -0.043 0.000 1.230 363 E HN 0.113 nan 8.360 nan 0.000 0.412 364 E N 0.822 121.009 120.200 -0.023 0.000 2.134 364 E HA 0.268 4.622 4.350 0.008 0.000 0.278 364 E C -1.544 175.043 176.600 -0.022 0.000 0.959 364 E CA -0.431 55.959 56.400 -0.016 0.000 0.783 364 E CB 1.301 30.996 29.700 -0.009 0.000 1.095 364 E HN 0.096 nan 8.360 nan 0.000 0.399 365 V N 7.139 127.041 119.914 -0.020 0.000 2.417 365 V HA 0.403 4.528 4.120 0.008 0.000 0.291 365 V C -2.162 173.928 176.094 -0.007 0.000 1.024 365 V CA -2.186 60.100 62.300 -0.023 0.000 0.861 365 V CB 1.588 33.392 31.823 -0.031 0.000 0.985 365 V HN 0.721 nan 8.190 nan 0.000 0.436 366 P HA 0.128 nan 4.420 nan 0.000 0.269 366 P C -0.821 176.484 177.300 0.009 0.000 1.209 366 P CA -0.224 62.878 63.100 0.002 0.000 0.776 366 P CB 0.487 32.188 31.700 0.001 0.000 0.876 367 L N 4.225 125.457 121.223 0.015 0.000 2.337 367 L HA 0.335 4.680 4.340 0.008 0.000 0.269 367 L C 0.643 177.526 176.870 0.021 0.000 1.018 367 L CA 0.358 55.212 54.840 0.023 0.000 0.876 367 L CB 0.132 42.209 42.059 0.031 0.000 1.236 367 L HN 0.273 nan 8.230 nan 0.000 0.436 368 R N 3.018 123.531 120.500 0.021 0.000 2.310 368 R HA 0.463 4.808 4.340 0.008 0.000 0.199 368 R C 0.773 177.087 176.300 0.024 0.000 0.891 368 R CA 0.232 56.344 56.100 0.019 0.000 1.060 368 R CB 0.187 30.497 30.300 0.016 0.000 1.188 368 R HN 0.629 nan 8.270 nan 0.000 0.607 369 A N 2.153 124.990 122.820 0.028 0.000 2.547 369 A HA 0.101 4.426 4.320 0.008 0.000 0.233 369 A C 0.585 178.196 177.584 0.044 0.000 1.067 369 A CA 0.140 52.198 52.037 0.035 0.000 0.763 369 A CB 0.152 19.172 19.000 0.032 0.000 1.007 369 A HN 0.389 nan 8.150 nan 0.000 0.506 370 S N 0.194 115.937 115.700 0.071 0.000 2.592 370 S HA 0.547 5.022 4.470 0.008 0.000 0.271 370 S C -0.249 174.412 174.600 0.103 0.000 1.326 370 S CA -0.576 57.668 58.200 0.072 0.000 1.024 370 S CB 1.088 64.391 63.200 0.171 0.000 0.921 370 S HN 0.936 nan 8.310 nan 0.000 0.527 371 V N 3.307 123.199 119.914 -0.038 0.000 2.656 371 V HA 0.542 4.667 4.120 0.008 0.000 0.307 371 V C -0.595 175.422 176.094 -0.128 0.000 1.051 371 V CA -0.612 61.724 62.300 0.059 0.000 0.893 371 V CB 1.583 33.467 31.823 0.102 0.000 0.999 371 V HN 1.030 nan 8.190 nan 0.000 0.426 372 H N 1.686 120.825 119.070 0.116 0.000 2.894 372 H HA 0.512 5.072 4.556 0.008 0.000 0.367 372 H C -1.193 174.270 175.328 0.226 0.000 1.144 372 H CA -0.679 55.453 56.048 0.140 0.000 1.180 372 H CB 2.606 32.431 29.762 0.105 0.000 1.758 372 H HN 0.500 nan 8.280 nan 0.000 0.541 373 T N 3.520 118.268 114.554 0.323 0.000 2.864 373 T HA 0.275 4.630 4.350 0.008 0.000 0.299 373 T C 0.368 175.176 174.700 0.180 0.000 1.011 373 T CA -0.672 61.607 62.100 0.298 0.000 0.975 373 T CB 0.506 69.513 68.868 0.231 0.000 0.962 373 T HN 0.314 nan 8.240 nan 0.000 0.448 374 L N 3.101 124.412 121.223 0.146 0.000 2.589 374 L HA 0.355 4.700 4.340 0.008 0.000 0.244 374 L C 1.842 178.640 176.870 -0.120 0.000 1.159 374 L CA -0.622 54.237 54.840 0.031 0.000 1.074 374 L CB 0.261 42.377 42.059 0.094 0.000 1.391 374 L HN 0.878 nan 8.230 nan 0.000 0.423 375 G N 0.627 109.276 108.800 -0.253 0.000 2.527 375 G HA2 -0.214 3.750 3.960 0.008 0.000 0.219 375 G HA3 -0.214 3.750 3.960 0.008 0.000 0.219 375 G C 1.419 175.992 174.900 -0.545 0.000 1.117 375 G CA 0.743 45.345 45.100 -0.829 0.000 0.759 375 G HN 0.682 nan 8.290 nan 0.000 0.556 376 G N 0.017 108.641 108.800 -0.294 0.000 2.559 376 G HA2 -0.055 3.910 3.960 0.008 0.000 0.216 376 G HA3 -0.055 3.910 3.960 0.008 0.000 0.216 376 G C 1.099 175.842 174.900 -0.262 0.000 1.126 376 G CA -0.068 44.876 45.100 -0.261 0.000 0.778 376 G HN 0.456 nan 8.290 nan 0.000 0.543 377 F N 1.083 120.936 119.950 -0.161 0.000 2.731 377 F HA 0.282 4.813 4.527 0.008 0.000 0.304 377 F C 1.710 177.411 175.800 -0.165 0.000 1.133 377 F CA -0.465 57.482 58.000 -0.089 0.000 1.380 377 F CB 0.349 39.270 39.000 -0.131 0.000 1.079 377 F HN 0.006 nan 8.300 nan 0.000 0.550 378 S N 0.451 116.034 115.700 -0.194 0.000 2.558 378 S HA 0.080 4.555 4.470 0.008 0.000 0.293 378 S C 1.458 175.998 174.600 -0.100 0.000 1.292 378 S CA 0.247 58.295 58.200 -0.254 0.000 1.063 378 S CB 0.950 63.621 63.200 -0.881 0.000 0.831 378 S HN 0.453 nan 8.310 nan 0.000 0.499 379 G N 3.717 112.549 108.800 0.054 0.000 2.880 379 G HA2 0.096 4.061 3.960 0.008 0.000 0.209 379 G HA3 0.096 4.061 3.960 0.008 0.000 0.209 379 G C 0.492 175.429 174.900 0.062 0.000 1.157 379 G CA 0.007 45.109 45.100 0.003 0.000 0.779 379 G HN 0.793 nan 8.290 nan 0.000 0.539 380 H N 0.073 119.297 119.070 0.256 0.000 2.479 380 H HA 0.532 5.093 4.556 0.007 0.000 0.335 380 H C 0.100 175.586 175.328 0.263 0.000 1.142 380 H CA -0.544 55.674 56.048 0.284 0.000 1.234 380 H CB 1.835 31.884 29.762 0.478 0.000 1.503 380 H HN 0.125 nan 8.280 nan 0.000 0.510 381 A N 2.282 125.270 122.820 0.279 0.000 2.520 381 A HA 0.337 4.662 4.320 0.008 0.000 0.245 381 A C 1.025 178.729 177.584 0.201 0.000 1.072 381 A CA 0.378 52.520 52.037 0.175 0.000 0.761 381 A CB -0.169 18.851 19.000 0.035 0.000 1.004 381 A HN 0.772 nan 8.150 nan 0.000 0.499 382 G N 0.189 109.039 108.800 0.084 0.000 2.616 382 G HA2 0.314 4.279 3.960 0.008 0.000 0.268 382 G HA3 0.314 4.279 3.960 0.008 0.000 0.268 382 G C 0.736 175.615 174.900 -0.036 0.000 1.213 382 G CA 0.288 45.275 45.100 -0.189 0.000 0.926 382 G HN 0.942 nan 8.290 nan 0.000 0.523 383 Q N -0.416 119.356 119.800 -0.048 0.000 2.096 383 Q HA -0.246 4.099 4.340 0.008 0.000 0.208 383 Q C 2.038 178.049 176.000 0.020 0.000 0.993 383 Q CA 2.498 58.304 55.803 0.006 0.000 0.862 383 Q CB -0.207 28.530 28.738 -0.003 0.000 0.915 383 Q HN 0.765 nan 8.270 nan 0.000 0.416 384 D N -0.371 120.033 120.400 0.008 0.000 2.117 384 D HA -0.219 4.425 4.640 0.008 0.000 0.197 384 D C 1.333 177.665 176.300 0.053 0.000 0.987 384 D CA 1.608 55.626 54.000 0.029 0.000 0.829 384 D CB -0.459 40.356 40.800 0.025 0.000 0.961 384 D HN 0.501 nan 8.370 nan 0.000 0.460 385 E N -0.405 119.830 120.200 0.058 0.000 2.152 385 E HA -0.057 4.297 4.350 0.008 0.000 0.192 385 E C 2.095 178.767 176.600 0.120 0.000 0.983 385 E CA 0.023 56.475 56.400 0.087 0.000 0.818 385 E CB 0.058 29.805 29.700 0.078 0.000 0.758 385 E HN 0.105 nan 8.360 nan 0.000 0.467 386 L N 0.648 121.928 121.223 0.096 0.000 2.046 386 L HA -0.169 4.176 4.340 0.008 0.000 0.208 386 L C 2.128 179.092 176.870 0.157 0.000 1.077 386 L CA 1.514 56.427 54.840 0.122 0.000 0.747 386 L CB -0.792 41.317 42.059 0.083 0.000 0.896 386 L HN 0.203 nan 8.230 nan 0.000 0.432 387 L N -0.796 120.490 121.223 0.105 0.000 2.046 387 L HA -0.243 4.102 4.340 0.008 0.000 0.208 387 L C 2.181 179.105 176.870 0.089 0.000 1.077 387 L CA 1.258 56.149 54.840 0.085 0.000 0.747 387 L CB -0.597 41.495 42.059 0.054 0.000 0.896 387 L HN 0.284 nan 8.230 nan 0.000 0.432 388 D N -1.197 119.265 120.400 0.104 0.000 2.178 388 D HA -0.216 4.429 4.640 0.008 0.000 0.202 388 D C 1.797 178.161 176.300 0.106 0.000 0.974 388 D CA 0.985 55.038 54.000 0.088 0.000 0.841 388 D CB -0.199 40.656 40.800 0.092 0.000 0.953 388 D HN 0.405 nan 8.370 nan 0.000 0.478 389 W N 0.872 122.161 121.300 -0.018 0.000 2.388 389 W HA -0.077 4.587 4.660 0.007 0.000 0.294 389 W C 1.516 178.001 176.519 -0.056 0.000 1.212 389 W CA 0.552 57.872 57.345 -0.041 0.000 1.271 389 W CB 0.012 29.445 29.460 -0.046 0.000 1.126 389 W HN -0.128 nan 8.180 nan 0.000 0.535 390 L N 0.787 122.077 121.223 0.110 0.000 2.554 390 L HA 0.046 4.391 4.340 0.008 0.000 0.226 390 L C 1.367 178.195 176.870 -0.071 0.000 1.137 390 L CA 0.899 55.736 54.840 -0.005 0.000 0.863 390 L CB -1.887 40.228 42.059 0.093 0.000 0.985 390 L HN -0.039 nan 8.230 nan 0.000 0.451 391 Q N 0.303 120.066 119.800 -0.061 0.000 2.326 391 Q HA 0.026 4.371 4.340 0.008 0.000 0.314 391 Q C 1.262 177.210 176.000 -0.088 0.000 1.091 391 Q CA 1.339 57.107 55.803 -0.058 0.000 0.974 391 Q CB 0.420 29.132 28.738 -0.044 0.000 1.220 391 Q HN 0.549 nan 8.270 nan 0.000 0.398 392 G N 3.214 111.978 108.800 -0.061 0.000 2.196 392 G HA2 -0.249 3.716 3.960 0.008 0.000 0.268 392 G HA3 -0.249 3.716 3.960 0.008 0.000 0.268 392 G C -0.144 174.713 174.900 -0.072 0.000 0.975 392 G CA 0.566 45.629 45.100 -0.062 0.000 0.648 392 G HN 0.598 nan 8.290 nan 0.000 0.538 393 E N 1.018 121.167 120.200 -0.084 0.000 2.180 393 E HA 0.207 4.562 4.350 0.008 0.000 0.283 393 E C -0.734 175.837 176.600 -0.048 0.000 1.061 393 E CA -1.429 54.921 56.400 -0.084 0.000 0.861 393 E CB 1.543 31.177 29.700 -0.111 0.000 1.056 393 E HN 0.295 nan 8.360 nan 0.000 0.407 394 P HA -0.183 nan 4.420 nan 0.000 0.212 394 P C -0.003 177.286 177.300 -0.019 0.000 1.178 394 P CA 1.398 64.483 63.100 -0.026 0.000 0.915 394 P CB 0.482 32.168 31.700 -0.024 0.000 0.788 395 R N -0.801 119.689 120.500 -0.017 0.000 2.637 395 R HA 0.643 4.987 4.340 0.008 0.000 0.291 395 R C -1.071 175.227 176.300 -0.004 0.000 0.963 395 R CA -0.842 55.252 56.100 -0.010 0.000 0.901 395 R CB 2.561 32.856 30.300 -0.009 0.000 1.160 395 R HN -0.124 nan 8.270 nan 0.000 0.457 396 V N 2.841 122.758 119.914 0.004 0.000 2.655 396 V HA 0.261 4.386 4.120 0.008 0.000 0.301 396 V C -0.799 175.305 176.094 0.017 0.000 1.082 396 V CA -0.860 61.450 62.300 0.017 0.000 0.899 396 V CB 2.192 34.032 31.823 0.028 0.000 1.014 396 V HN 0.463 nan 8.190 nan 0.000 0.429 397 V N 5.950 125.873 119.914 0.016 0.000 2.347 397 V HA 0.450 4.575 4.120 0.008 0.000 0.280 397 V C -0.285 175.820 176.094 0.019 0.000 1.021 397 V CA -0.598 61.705 62.300 0.006 0.000 0.847 397 V CB 1.467 33.278 31.823 -0.019 0.000 0.990 397 V HN 0.563 nan 8.190 nan 0.000 0.444 398 L N 6.691 127.930 121.223 0.027 0.000 2.349 398 L HA 0.646 4.991 4.340 0.008 0.000 0.275 398 L C 0.216 177.117 176.870 0.052 0.000 1.115 398 L CA 0.471 55.338 54.840 0.044 0.000 0.820 398 L CB 1.438 43.522 42.059 0.041 0.000 1.135 398 L HN 0.645 nan 8.230 nan 0.000 0.445 399 V N -0.450 119.517 119.914 0.087 0.000 3.105 399 V HA 0.583 4.707 4.120 0.008 0.000 0.311 399 V C -0.112 176.107 176.094 0.209 0.000 1.287 399 V CA -1.015 61.367 62.300 0.135 0.000 1.066 399 V CB 1.466 33.382 31.823 0.153 0.000 1.105 399 V HN 0.819 nan 8.190 nan 0.000 0.462 400 H N 0.288 119.419 119.070 0.101 0.000 2.861 400 H HA 0.001 4.561 4.556 0.007 0.000 0.319 400 H C -0.174 175.147 175.328 -0.011 0.000 0.994 400 H CA 1.559 57.650 56.048 0.071 0.000 1.032 400 H CB -0.948 28.880 29.762 0.111 0.000 1.615 400 H HN 2.223 nan 8.280 nan 0.000 0.357 401 G N 3.018 111.796 108.800 -0.036 0.000 2.368 401 G HA2 0.199 4.164 3.960 0.008 0.000 0.303 401 G HA3 0.199 4.164 3.960 0.008 0.000 0.303 401 G C -1.067 173.798 174.900 -0.059 0.000 1.590 401 G CA -0.522 44.542 45.100 -0.060 0.000 0.938 401 G HN 0.336 nan 8.290 nan 0.000 0.675 402 E N 0.270 120.423 120.200 -0.079 0.000 2.398 402 E HA 0.112 4.466 4.350 0.008 0.000 0.263 402 E C 1.173 177.753 176.600 -0.034 0.000 1.046 402 E CA 0.066 56.433 56.400 -0.054 0.000 0.908 402 E CB 1.717 31.380 29.700 -0.063 0.000 0.963 402 E HN 0.660 nan 8.360 nan 0.000 0.431 403 E N 2.255 122.443 120.200 -0.021 0.000 2.065 403 E HA -0.332 4.022 4.350 0.008 0.000 0.201 403 E C 1.204 177.796 176.600 -0.014 0.000 1.016 403 E CA 2.030 58.424 56.400 -0.011 0.000 0.818 403 E CB 0.191 29.886 29.700 -0.009 0.000 0.749 403 E HN 0.458 nan 8.360 nan 0.000 0.453 404 E N 0.783 120.971 120.200 -0.019 0.000 2.038 404 E HA -0.206 4.148 4.350 0.008 0.000 0.195 404 E C 2.049 178.636 176.600 -0.021 0.000 1.000 404 E CA 1.456 57.845 56.400 -0.019 0.000 0.803 404 E CB -0.139 29.548 29.700 -0.022 0.000 0.750 404 E HN 0.180 nan 8.360 nan 0.000 0.448 405 K N 0.230 120.610 120.400 -0.034 0.000 2.057 405 K HA -0.105 4.219 4.320 0.008 0.000 0.207 405 K C 2.168 178.755 176.600 -0.021 0.000 1.049 405 K CA 0.773 57.036 56.287 -0.040 0.000 0.931 405 K CB -0.547 31.905 32.500 -0.080 0.000 0.714 405 K HN 0.107 nan 8.250 nan 0.000 0.440 406 L N 0.917 122.130 121.223 -0.016 0.000 2.046 406 L HA -0.150 4.195 4.340 0.008 0.000 0.208 406 L C 2.268 179.141 176.870 0.005 0.000 1.077 406 L CA 1.147 55.988 54.840 0.002 0.000 0.747 406 L CB -0.633 41.431 42.059 0.009 0.000 0.896 406 L HN 0.043 nan 8.230 nan 0.000 0.432 407 L N -0.773 120.451 121.223 0.001 0.000 2.017 407 L HA -0.113 4.232 4.340 0.008 0.000 0.208 407 L C 2.637 179.508 176.870 0.003 0.000 1.073 407 L CA 1.987 56.828 54.840 0.002 0.000 0.745 407 L CB -1.602 40.456 42.059 -0.001 0.000 0.894 407 L HN 0.272 nan 8.230 nan 0.000 0.432 408 A N -1.117 121.703 122.820 -0.000 0.000 1.986 408 A HA -0.223 4.101 4.320 0.008 0.000 0.220 408 A C 2.389 179.978 177.584 0.007 0.000 1.171 408 A CA 1.866 53.904 52.037 0.001 0.000 0.640 408 A CB -0.692 18.307 19.000 -0.003 0.000 0.811 408 A HN 0.431 nan 8.150 nan 0.000 0.451 409 L N -1.168 120.061 121.223 0.011 0.000 2.095 409 L HA 0.005 4.350 4.340 0.008 0.000 0.204 409 L C 2.587 179.469 176.870 0.019 0.000 1.080 409 L CA 1.229 56.081 54.840 0.019 0.000 0.759 409 L CB -0.686 41.388 42.059 0.026 0.000 0.914 409 L HN 0.443 nan 8.230 nan 0.000 0.439 410 G N -0.055 108.755 108.800 0.016 0.000 2.440 410 G HA2 -0.341 3.624 3.960 0.008 0.000 0.218 410 G HA3 -0.341 3.624 3.960 0.008 0.000 0.218 410 G C 1.607 176.514 174.900 0.011 0.000 1.154 410 G CA 1.018 46.127 45.100 0.015 0.000 0.767 410 G HN 0.335 nan 8.290 nan 0.000 0.552 411 K N 0.119 120.524 120.400 0.009 0.000 2.001 411 K HA -0.064 4.261 4.320 0.008 0.000 0.214 411 K C 2.550 179.155 176.600 0.008 0.000 1.050 411 K CA 1.372 57.663 56.287 0.007 0.000 0.934 411 K CB -0.380 32.123 32.500 0.006 0.000 0.718 411 K HN 0.339 nan 8.250 nan 0.000 0.443 412 L N 1.021 122.250 121.223 0.011 0.000 2.042 412 L HA -0.220 4.125 4.340 0.008 0.000 0.210 412 L C 2.502 179.380 176.870 0.013 0.000 1.076 412 L CA 1.120 55.967 54.840 0.012 0.000 0.749 412 L CB -0.437 41.631 42.059 0.015 0.000 0.893 412 L HN 0.267 nan 8.230 nan 0.000 0.432 413 L N -0.602 120.631 121.223 0.015 0.000 2.093 413 L HA -0.161 4.184 4.340 0.008 0.000 0.208 413 L C 2.891 179.767 176.870 0.009 0.000 1.085 413 L CA 0.998 55.847 54.840 0.015 0.000 0.755 413 L CB -0.724 41.347 42.059 0.019 0.000 0.904 413 L HN 0.240 nan 8.230 nan 0.000 0.435 414 A N 0.357 123.182 122.820 0.008 0.000 1.877 414 A HA -0.152 4.173 4.320 0.008 0.000 0.216 414 A C 2.195 179.781 177.584 0.004 0.000 1.186 414 A CA 1.341 53.381 52.037 0.005 0.000 0.620 414 A CB -0.730 18.273 19.000 0.005 0.000 0.822 414 A HN 0.368 nan 8.150 nan 0.000 0.443 415 L N -1.449 119.777 121.223 0.005 0.000 2.353 415 L HA -0.085 4.260 4.340 0.008 0.000 0.220 415 L C 2.604 179.476 176.870 0.003 0.000 1.133 415 L CA 0.954 55.797 54.840 0.004 0.000 0.798 415 L CB -0.350 41.712 42.059 0.005 0.000 0.922 415 L HN 0.333 nan 8.230 nan 0.000 0.445 416 R N -0.124 120.379 120.500 0.004 0.000 2.275 416 R HA 0.053 4.398 4.340 0.008 0.000 0.199 416 R C 1.134 177.434 176.300 -0.001 0.000 0.989 416 R CA 0.639 56.741 56.100 0.002 0.000 1.016 416 R CB 0.242 30.544 30.300 0.004 0.000 0.918 416 R HN 0.407 nan 8.270 nan 0.000 0.473 417 G N 0.495 109.295 108.800 -0.001 0.000 2.131 417 G HA2 -0.234 3.730 3.960 0.008 0.000 0.201 417 G HA3 -0.234 3.730 3.960 0.008 0.000 0.201 417 G C -0.358 174.540 174.900 -0.005 0.000 1.000 417 G CA -0.450 44.648 45.100 -0.003 0.000 0.680 417 G HN 0.314 nan 8.290 nan 0.000 0.514 418 Q N 0.131 119.929 119.800 -0.003 0.000 2.282 418 Q HA 0.468 4.813 4.340 0.008 0.000 0.260 418 Q C -0.337 175.662 176.000 -0.001 0.000 0.964 418 Q CA -0.623 55.177 55.803 -0.004 0.000 0.880 418 Q CB 1.568 30.304 28.738 -0.003 0.000 1.286 418 Q HN 0.523 nan 8.270 nan 0.000 0.445 419 E N 1.511 121.709 120.200 -0.003 0.000 2.217 419 E HA 0.237 4.591 4.350 0.008 0.000 0.279 419 E C -0.989 175.612 176.600 0.001 0.000 1.068 419 E CA -0.188 56.211 56.400 -0.002 0.000 0.882 419 E CB 1.306 31.003 29.700 -0.005 0.000 1.039 419 E HN 0.155 nan 8.360 nan 0.000 0.418 420 V N 2.463 122.379 119.914 0.003 0.000 2.823 420 V HA 0.669 4.794 4.120 0.008 0.000 0.312 420 V C -0.885 175.212 176.094 0.005 0.000 1.072 420 V CA -0.322 61.982 62.300 0.006 0.000 0.937 420 V CB 2.239 34.069 31.823 0.011 0.000 1.013 420 V HN 0.647 nan 8.190 nan 0.000 0.430 421 S N 4.412 120.115 115.700 0.006 0.000 2.618 421 S HA 0.792 5.266 4.470 0.008 0.000 0.277 421 S C -1.858 172.746 174.600 0.007 0.000 1.138 421 S CA -0.601 57.601 58.200 0.003 0.000 0.844 421 S CB 1.744 64.942 63.200 -0.003 0.000 1.127 421 S HN 0.710 nan 8.310 nan 0.000 0.474 422 L N 3.066 124.293 121.223 0.007 0.000 2.295 422 L HA 0.656 5.000 4.340 0.008 0.000 0.281 422 L C 0.638 177.514 176.870 0.011 0.000 1.018 422 L CA -0.089 54.759 54.840 0.013 0.000 0.841 422 L CB 0.683 42.751 42.059 0.015 0.000 1.218 422 L HN 0.877 nan 8.230 nan 0.000 0.424 423 A N 4.862 127.687 122.820 0.008 0.000 2.609 423 A HA 0.202 4.527 4.320 0.008 0.000 0.232 423 A C 0.380 177.973 177.584 0.015 0.000 1.041 423 A CA 0.439 52.474 52.037 -0.003 0.000 0.753 423 A CB 0.000 18.995 19.000 -0.008 0.000 0.966 423 A HN 0.706 nan 8.150 nan 0.000 0.510 424 R N 0.637 121.135 120.500 -0.003 0.000 2.637 424 R HA 0.407 4.751 4.340 0.008 0.000 0.291 424 R C -0.674 175.640 176.300 0.024 0.000 0.963 424 R CA -0.596 55.522 56.100 0.030 0.000 0.901 424 R CB 1.567 31.878 30.300 0.019 0.000 1.160 424 R HN 0.702 nan 8.270 nan 0.000 0.457 425 F N 1.579 121.495 119.950 -0.056 0.000 2.578 425 F HA 0.133 4.664 4.527 0.007 0.000 0.376 425 F C 1.375 177.068 175.800 -0.179 0.000 1.085 425 F CA 2.042 59.984 58.000 -0.097 0.000 1.260 425 F CB 0.601 39.593 39.000 -0.014 0.000 1.095 425 F HN 0.879 nan 8.300 nan 0.000 0.573 426 G N 3.784 112.078 108.800 -0.843 0.000 2.304 426 G HA2 -0.324 3.641 3.960 0.008 0.000 0.252 426 G HA3 -0.324 3.641 3.960 0.008 0.000 0.252 426 G C 0.160 174.830 174.900 -0.385 0.000 1.014 426 G CA 0.236 44.945 45.100 -0.652 0.000 0.619 426 G HN 0.650 nan 8.290 nan 0.000 0.525 427 E N 1.815 121.869 120.200 -0.242 0.000 1.932 427 E HA 0.471 4.825 4.350 0.008 0.000 0.275 427 E C 1.178 177.680 176.600 -0.163 0.000 1.159 427 E CA -0.022 56.293 56.400 -0.141 0.000 0.905 427 E CB 0.517 30.177 29.700 -0.067 0.000 1.059 427 E HN 0.504 nan 8.360 nan 0.000 0.400 428 G N 1.830 110.543 108.800 -0.144 0.000 2.690 428 G HA2 0.226 4.190 3.960 0.008 0.000 0.239 428 G HA3 0.226 4.190 3.960 0.008 0.000 0.239 428 G C -0.276 174.577 174.900 -0.079 0.000 1.233 428 G CA -0.300 44.730 45.100 -0.116 0.000 0.847 428 G HN 0.338 nan 8.290 nan 0.000 0.588 429 V N 2.472 122.344 119.914 -0.069 0.000 2.760 429 V HA 0.438 4.562 4.120 0.008 0.000 0.309 429 V C -2.137 173.934 176.094 -0.038 0.000 1.077 429 V CA -1.321 60.949 62.300 -0.050 0.000 0.910 429 V CB 2.670 34.461 31.823 -0.053 0.000 1.008 429 V HN 0.740 nan 8.190 nan 0.000 0.424 430 P HA 0.303 nan 4.420 nan 0.000 0.286 430 P C -0.333 176.957 177.300 -0.016 0.000 1.269 430 P CA 0.051 63.139 63.100 -0.020 0.000 0.787 430 P CB 1.651 33.342 31.700 -0.015 0.000 0.920 431 V N 0.000 119.906 119.914 -0.013 0.000 2.409 431 V HA 0.000 4.125 4.120 0.008 0.000 0.244 431 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 431 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556